A0A077YYZ3_TRITR Loading...

polyribonucleotide nucleotidyltransferase

AlphaFold DB , UniProt , Accession A0A077YYZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 764 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	45.9	Very low	45.1	Very low	220 Å²	220	155.6 Å²	155.6	100%	1.084	73%	0.732	S	S	*	*				0	-21.4	0	-83.9	-179.5	176.6	0	0	115.2
2	I	45.9	Very low	45.2	Very low	158 Å²	158	145.5 Å²	145.5	81%	0.81	70%	0.7	S	S	*	*	H	α-helix	trans	-72.9	-30.5	-174	-65.6	166.8	0	0	0	113.9	R4	I2-R4 PolarHBondContact O-N 2.91Å
3	K	43.5	Very low	45.5	Very low	195 Å²	195	149.7 Å²	149.7	85%	0.848	70%	0.704	S	S	*	*	H	α-helix	trans	-75.2	-19.1	177.2	-76.7	-174.4	176.5	-179.4	0	115.3
4	R	42	Very low	45.6	Very low	214 Å²	214	152.3 Å²	152.3	81%	0.808	70%	0.704	S	S	*	*	H	α-helix	trans	-82	-23.9	176.9	-90	-174.3	175.9	-179.8	-1	113.5	I2	I2-R4 PolarHBondContact O-N 2.91Å
5	R	42.5	Very low	45.6	Very low	213 Å²	213	149.3 Å²	149.3	80%	0.804	69%	0.694	S	S	*	*	H	α-helix	trans	-74.3	-27.2	178	-88.6	-176.1	167.6	179.3	-3.4	113.9	S9	R5-S9 PolarHBondContact O-N 3.31Å
6	S	49	Very low	45.6	Very low	79 Å²	79	147.2 Å²	147.2	55%	0.552	69%	0.689	S	S	*	*	H	α-helix	trans	-70.3	-38.2	178.5	166.2	0	0	0	0	112.8	S9 F10	S6-S9 PolarHBondContact O-N 2.91Å; S6-S9 PolarHBondContact O-OG 3.16Å; S6-S9 VanDerWaalsContact O-OG 3.13Å; S6-F10 PolarHBondContact O-N 2.9Å
7	M	42.2	Very low	45.8	Very low	136 Å²	136	143.8 Å²	143.8	67%	0.67	68%	0.68	S	S	*	*	H	α-helix	trans	-73.4	-32.6	-177.5	-135.8	-173.8	-76.8	0	0	112.9	F10 F11	M7-F10 PolarHBondContact O-N 2.98Å; M7-F11 PolarHBondContact O-N 2.67Å; M7-F11 VanDerWaalsContact O-N 3.16Å
8	L	43.9	Very low	45.5	Very low	136 Å²	136	145.1 Å²	145.1	71%	0.712	68%	0.683	S	S	*	*	H	α-helix	trans	-71.4	-31.7	174.9	-90.9	139	0	0	0	112.9	G12	L8-G12 PolarHBondContact O-N 3.23Å
9	S	50.9	Low	45.3	Very low	68 Å²	68	146.1 Å²	146.1	48%	0.476	68%	0.681	S	S	.	*	H	α-helix	trans	-74.1	-31.1	174.8	82	0	0	0	0	112.3	R5 S6 R13	R5-S9 PolarHBondContact O-N 3.31Å; S6-S9 PolarHBondContact O-N 2.91Å; S6-S9 PolarHBondContact O-OG 3.16Å; S6-S9 VanDerWaalsContact O-OG 3.13Å; S9-R13 WeakPolarHBondContact O-CG 3.12Å; S9-R13 PolarHBondContact O-N 2.6Å; S9-R13 VanDerWaalsContact O-N 3.12Å
10	F	46.6	Very low	45.1	Very low	147 Å²	147	148.2 Å²	148.2	65%	0.645	68%	0.682	S	S	*	*	H	α-helix	trans	-71.7	-40.6	176.9	-150.2	-93.3	0	0	0	112.2	S6 M7 R14	S6-F10 PolarHBondContact O-N 2.9Å; M7-F10 PolarHBondContact O-N 2.98Å; F10-R14 PolarHBondContact O-N 3.07Å
11	F	44.1	Very low	44.9	Very low	146 Å²	146	147 Å²	147	64%	0.64	68%	0.677	S	S	*	*	H	α-helix	trans	-71.5	-38.4	173.8	-102.9	-90.3	0	0	0	112.9	M7 R13 R14 L15	M7-F11 PolarHBondContact O-N 2.67Å; M7-F11 VanDerWaalsContact O-N 3.16Å; F11-R13 PolarHBondContact O-N 2.89Å; F11-R14 PolarHBondContact O-N 2.9Å; F11-L15 PolarHBondContact O-N 3.32Å
12	G	46	Very low	44.6	Very low	34 Å²	34	139 Å²	139	35%	0.351	64%	0.643	S	S	.	*	H	α-helix	trans	-62.1	-38.6	175.8	0	0	0	0	0	113.2	L8 L16	L8-G12 PolarHBondContact O-N 3.23Å; G12-L16 PolarHBondContact O-N 3.36Å; G12-L16 VanDerWaalsContact O-N 3.08Å
13	R	49.1	Very low	44.2	Very low	200 Å²	200	135.1 Å²	135.1	76%	0.755	63%	0.627	S	S	*	*	H	α-helix	trans	-68.1	-38	175.5	-79.4	-176.4	177.2	-157.3	-0.4	112.9	S9 F11 L16 V17	S9-R13 WeakPolarHBondContact O-CG 3.12Å; S9-R13 PolarHBondContact O-N 2.6Å; S9-R13 VanDerWaalsContact O-N 3.12Å; F11-R13 PolarHBondContact O-N 2.89Å; R13-L16 PolarHBondContact O-N 3.48Å; R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 3.49Å; R13-V17 VanDerWaalsContact O-N 3.11Å
14	R	47	Very low	44.1	Very low	186 Å²	186	132.8 Å²	132.8	70%	0.702	62%	0.619	S	S	*	*	H	α-helix	trans	-70.1	-37.7	177.1	-110.3	-177.7	169.2	-172.4	-3	112.8	F10 F11 V17 F18	F10-R14 PolarHBondContact O-N 3.07Å; F11-R14 PolarHBondContact O-N 2.9Å; R14-V17 PolarHBondContact O-N 2.95Å; R14-F18 PolarHBondContact O-N 3.12Å; R14-F18 VanDerWaalsContact O-N 3.08Å
15	L	45.2	Very low	44	Very low	107 Å²	107	127.6 Å²	127.6	56%	0.56	61%	0.614	S	S	*	*	H	α-helix	trans	-67.4	-37.6	174.2	-106	114.8	0	0	0	112.4	F11 F18 Y19	F11-L15 PolarHBondContact O-N 3.32Å; L15-F18 PolarHBondContact O-N 3.16Å; L15-Y19 WeakPolarHBondContact O-CB 3.39Å; L15-Y19 PolarHBondContact O-N 2.93Å
16	L	45.5	Very low	43.8	Very low	116 Å²	116	123.8 Å²	123.8	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-67.2	-35.4	175.3	-114.3	121.1	0	0	0	113	G12 R13 R20	G12-L16 PolarHBondContact O-N 3.36Å; G12-L16 VanDerWaalsContact O-N 3.08Å; R13-L16 PolarHBondContact O-N 3.48Å; L16-R20 WeakPolarHBondContact O-CB 3.23Å; L16-R20 PolarHBondContact O-N 3.26Å
17	V	49.7	Very low	43.8	Very low	89 Å²	89	123.6 Å²	123.6	54%	0.539	61%	0.612	S	S	.	*	H	α-helix	trans	-66.9	-41	173.5	172.1	0	0	0	0	110.8	R13 R14 R20 H21	R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 3.49Å; R13-V17 VanDerWaalsContact O-N 3.11Å; R14-V17 PolarHBondContact O-N 2.95Å; V17-R20 PolarHBondContact O-N 3.44Å; V17-H21 PolarHBondContact O-N 2.97Å
18	F	41	Very low	44.3	Very low	168 Å²	168	126.8 Å²	126.8	74%	0.737	62%	0.617	S	S	*	*	H	α-helix	trans	-65.5	-40.8	174.9	-113	-89.5	0	0	0	112.8	R14 L15 H21 S22	R14-F18 PolarHBondContact O-N 3.12Å; R14-F18 VanDerWaalsContact O-N 3.08Å; L15-F18 PolarHBondContact O-N 3.16Å; F18-H21 PolarHBondContact O-N 3.35Å; F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.85Å; F18-S22 PolarHBondContact O-OG 2.83Å
19	Y	40.9	Very low	45.1	Very low	164 Å²	164	122 Å²	122	64%	0.643	60%	0.595	S	S	*	*	H	α-helix	trans	-71.4	-34.3	177.5	-116.5	-89.9	0	0	0	112.9	L15 S22 T23	L15-Y19 WeakPolarHBondContact O-CB 3.39Å; L15-Y19 PolarHBondContact O-N 2.93Å; Y19-S22 WeakPolarHBondContact CA-OG 3.24Å; Y19-S22 PolarHBondContact O-OG 3.35Å; Y19-S22 VanDerWaalsContact O-OG 3.08Å; Y19-T23 HydrophobicContact CD1-CG2 4.45Å; Y19-T23 WeakPolarHBondContact O-CB 3.4Å; Y19-T23 WeakPolarHBondContact O-CG2 3.28Å; Y19-T23 PolarHBondContact O-N 3.08Å; Y19-T23 PolarHBondContact O-OG1 2.9Å
20	R	42.2	Very low	46.4	Very low	187 Å²	187	125.7 Å²	125.7	71%	0.706	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-41.1	172.3	-91.3	-173.2	160.9	-174.3	-5	112	L16 V17 T23 Q24	L16-R20 WeakPolarHBondContact O-CB 3.23Å; L16-R20 PolarHBondContact O-N 3.26Å; V17-R20 PolarHBondContact O-N 3.44Å; R20-T23 PolarHBondContact O-OG1 3.36Å; R20-Q24 WeakPolarHBondContact O-CB 3.46Å; R20-Q24 PolarHBondContact O-N 3.35Å
21	H	39.5	Very low	48.6	Very low	125 Å²	125	124.2 Å²	124.2	58%	0.579	59%	0.593	S	S	*	*	H	α-helix	trans	-67.7	-37.6	174.6	-93.8	-18.9	0	0	0	112.9	V17 F18 C25	V17-H21 PolarHBondContact O-N 2.97Å; F18-H21 PolarHBondContact O-N 3.35Å; H21-C25 WeakPolarHBondContact O-CB 3.42Å; H21-C25 PolarHBondContact O-N 3.21Å; H21-C25 PolarHBondContact O-SG 3.33Å; H21-C25 VanDerWaalsContact O-SG 3.32Å
22	S	39.3	Very low	51.1	Low	50 Å²	50	118.1 Å²	118.1	35%	0.35	57%	0.569	S	S	.	*	H	α-helix	trans	-70.8	-36.3	177.8	67.3	0	0	0	0	113	F18 Y19 C25 L26	F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.85Å; F18-S22 PolarHBondContact O-OG 2.83Å; Y19-S22 WeakPolarHBondContact CA-OG 3.24Å; Y19-S22 PolarHBondContact O-OG 3.35Å; Y19-S22 VanDerWaalsContact O-OG 3.08Å; S22-C25 PolarHBondContact O-N 3.36Å; S22-L26 WeakPolarHBondContact O-CB 3.1Å; S22-L26 WeakPolarHBondContact O-CG 3.25Å; S22-L26 PolarHBondContact O-N 3.5Å; S22-L26 VanDerWaalsContact O-N 3.13Å
23	T	37.5	Very low	53.5	Low	78 Å²	78	118.9 Å²	118.9	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-75.6	-33	176.8	48	0	0	0	0	113.1	Y19 R20 L26 A27	Y19-T23 HydrophobicContact CD1-CG2 4.45Å; Y19-T23 WeakPolarHBondContact O-CB 3.4Å; Y19-T23 WeakPolarHBondContact O-CG2 3.28Å; Y19-T23 PolarHBondContact O-N 3.08Å; Y19-T23 PolarHBondContact O-OG1 2.9Å; R20-T23 PolarHBondContact O-OG1 3.36Å; T23-L26 PolarHBondContact O-N 2.92Å; T23-A27 PolarHBondContact O-N 2.96Å; T23-A27 VanDerWaalsContact O-N 3.13Å
24	Q	42.9	Very low	55.8	Low	145 Å²	145	110.2 Å²	110.2	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-66.7	-38.1	168.2	-107.1	175.9	-20.6	0	0	112.3	R20 L26 A27	R20-Q24 WeakPolarHBondContact O-CB 3.46Å; R20-Q24 PolarHBondContact O-N 3.35Å; Q24-L26 PolarHBondContact O-N 2.93Å; Q24-A27 PolarHBondContact O-N 3.06Å
25	C	39.5	Very low	58.1	Low	106 Å²	106	105.6 Å²	105.6	72%	0.716	53%	0.526	S	S	*	.	H	α-helix	trans	-67.7	-21.3	174.6	-78.1	0	0	0	0	113.5	H21 S22	H21-C25 WeakPolarHBondContact O-CB 3.42Å; H21-C25 PolarHBondContact O-N 3.21Å; H21-C25 PolarHBondContact O-SG 3.33Å; H21-C25 VanDerWaalsContact O-SG 3.32Å; S22-C25 PolarHBondContact O-N 3.36Å
26	L	39.1	Very low	60.6	Low	132 Å²	132	101.3 Å²	101.3	69%	0.691	51%	0.505	S	S	*	.	H	α-helix	trans	-98.3	-4.4	178.5	-79.6	164.9	0	0	0	114.3	S22 T23 Q24 R28	S22-L26 WeakPolarHBondContact O-CB 3.1Å; S22-L26 WeakPolarHBondContact O-CG 3.25Å; S22-L26 PolarHBondContact O-N 3.5Å; S22-L26 VanDerWaalsContact O-N 3.13Å; T23-L26 PolarHBondContact O-N 2.92Å; Q24-L26 PolarHBondContact O-N 2.93Å; L26-R28 PolarHBondContact O-N 3.38Å
27	A	46.9	Very low	62.9	Low	75 Å²	75	100.8 Å²	100.8	62%	0.62	50%	0.502	S	S	*	.	S	Bend	trans	-65.2	85.7	163.1	0	0	0	0	0	107.6	T23 Q24 S29	T23-A27 PolarHBondContact O-N 2.96Å; T23-A27 VanDerWaalsContact O-N 3.13Å; Q24-A27 PolarHBondContact O-N 3.06Å; A27-S29 PolarHBondContact O-N 2.95Å
28	R	52.7	Low	64.9	Low	204 Å²	204	96.7 Å²	96.7	77%	0.77	48%	0.478	S	S	*	.			trans	-51.9	111.7	176.8	-77.8	-179.4	170	-178.9	-3.5	107	L26 K30	L26-R28 PolarHBondContact O-N 3.38Å; R28-K30 PolarHBondContact O-N 3.36Å
29	S	61	Low	67	Low	36 Å²	36	90.8 Å²	90.8	25%	0.252	47%	0.465	S	S	.	.			trans	-42.9	117.6	166.6	-177.1	0	0	0	0	107.9	A27 Y31 G48	A27-S29 PolarHBondContact O-N 2.95Å; S29-Y31 PolarHBondContact O-N 3.12Å; S29-Y31 VanDerWaalsContact O-N 3.16Å; S29-G48 WeakPolarHBondContact OG-CA 3.24Å
30	K	79.9	Confident	69.3	Low	145 Å²	145	85.8 Å²	85.8	63%	0.63	46%	0.463	S	S	*	.			trans	-59.8	122.4	-179.1	-173.7	178.1	173.3	-169.7	0	107.3	R28 S32	R28-K30 PolarHBondContact O-N 3.36Å; K30-S32 PolarHBondContact O-N 2.93Å
31	Y	92.5	Very high	71.5	Confident	116 Å²	116	78.7 Å²	78.7	46%	0.455	44%	0.436	S	S	.	.			trans	-62.1	127.9	172.3	175.9	-95	0	0	0	108.3	S29 E46 T47 R49	S29-Y31 PolarHBondContact O-N 3.12Å; S29-Y31 VanDerWaalsContact O-N 3.16Å; Y31-E46 HydrophobicContact CD2-CG 4.33Å; Y31-E46 HydrophobicContact CE2-CG 3.49Å; Y31-E46 VanDerWaalsContact CE2-CG 3.49Å; Y31-E46 WeakPolarHBondContact CE2-OE1 3.22Å; Y31-E46 PolarHBondContact OH-OE2 3.36Å; Y31-T47 WeakPolarHBondContact CA-O 3.4Å; Y31-R49 HydrophobicContact CD2-CB 4.03Å; Y31-R49 HydrophobicContact CE2-CB 4.14Å
32	S	95.6	Very high	74.1	Confident	18 Å²	18	76.9 Å²	76.9	13%	0.126	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.1	174.8	-168	0	0	0	0	109.7	K30 T47 S252	K30-S32 PolarHBondContact O-N 2.93Å; S32-T47 PolarHBondContact N-O 3.48Å; S32-T47 PolarHBondContact O-N 3.43Å; S32-S252 WeakPolarHBondContact CB-OG 3.48Å; S32-S252 WeakPolarHBondContact OG-CB 3.46Å; S32-S252 PolarHBondContact OG-OG 3.21Å
33	C	96.5	Very high	76.9	Confident	49 Å²	49	74.6 Å²	74.6	33%	0.331	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.8	175.2	62.4	0	0	0	0	110.3	L45 E46	C33-L45 CarbonylContact C-O 3.6Å; C33-L45 VanDerWaalsContact CA-O 3.26Å; C33-L45 WeakPolarHBondContact CA-O 3.41Å; C33-E46 HydrophobicContact CB-CB 4.31Å
34	V	97.2	Very high	79.8	Confident	19 Å²	19	75.8 Å²	75.8	12%	0.115	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145	172.3	-65.6	0	0	0	0	108.8	R44 L45 A245 N248 L249	V34-R44 WeakPolarHBondContact O-CA 3.22Å; V34-L45 HydrophobicContact CG2-CB 3.84Å; V34-L45 HydrophobicContact CG2-CD1 4.44Å; V34-L45 PolarHBondContact N-O 2.96Å; V34-L45 PolarHBondContact O-N 3.4Å; V34-A245 HydrophobicContact CB-CB 4.42Å; V34-A245 HydrophobicContact CG2-CB 4.12Å; V34-N248 HydrophobicContact CG1-CB 4.16Å; V34-L249 HydrophobicContact CG1-CB 3.99Å; V34-L249 HydrophobicContact CG1-CD1 4.08Å; V34-L249 HydrophobicContact CG2-CB 3.99Å; V34-L249 HydrophobicContact CG2-CD1 4.21Å; V34-L249 HydrophobicContact CG2-CD2 4.4Å; V34-L249 HydrophobicContact CG2-CG 4.43Å
35	D	96.4	Very high	82.4	Confident	88 Å²	88	69 Å²	69	47%	0.471	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139	174.1	-70.6	-63.5	0	0	0	108.3	M43 R44	D35-M43 WeakPolarHBondContact CA-O 3.34Å; D35-R44 VanDerWaalsContact OD1-CB 3.25Å; D35-R44 WeakPolarHBondContact OD1-CB 3.35Å; D35-R44 WeakPolarHBondContact OD1-CG 3.25Å; D35-R44 IonicContact OD1-CZ 3.63Å; D35-R44 IonicContact OD1-NE 3.67Å; D35-R44 PolarHBondContact OD1-NE 2.86Å; D35-R44 IonicContact OD1-NH2 2.65Å; D35-R44 PolarHBondContact OD1-NH2 3.33Å; D35-R44 IonicContact OD2-CZ 3.34Å; D35-R44 IonicContact OD2-NE 2.86Å; D35-R44 PolarHBondContact OD2-NE 3.1Å; D35-R44 IonicContact OD2-NH2 3.12Å; D35-R44 PolarHBondContact OD2-NH2 2.99Å
36	V	96.9	Very high	85.2	Confident	18 Å²	18	64.7 Å²	64.7	11%	0.109	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.1	175.4	58.7	0	0	0	0	109.4	V38 M43 G241 I242 A245	V36-V38 HydrophobicContact CG1-CG2 3.99Å; V36-V38 HydrophobicContact CG2-CG2 4.04Å; V36-M43 HydrophobicContact CG1-CB 3.96Å; V36-M43 HydrophobicContact CG1-CG 4.47Å; V36-M43 PolarHBondContact N-O 2.72Å; V36-M43 PolarHBondContact O-N 3.3Å; V36-G241 WeakPolarHBondContact CG2-O 3.35Å; V36-I242 HydrophobicContact CG1-CG1 4.43Å; V36-A245 HydrophobicContact CB-CB 3.87Å; V36-A245 HydrophobicContact CG1-CB 4.15Å; V36-A245 HydrophobicContact CG2-CB 4.44Å
37	D	94.9	Very high	87.9	Confident	104 Å²	104	58.8 Å²	58.8	56%	0.556	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.9	169.9	-170.4	-75.4	0	0	0	109.7	G40 R41	D37-G40 WeakPolarHBondContact OD1-CA 3.46Å; D37-G40 PolarHBondContact OD1-N 3.48Å; D37-G40 WeakPolarHBondContact OD2-CA 3.33Å; D37-R41 PolarHBondContact OD2-N 3.15Å
38	V	91.2	Very high	90.1	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	30%	0.296	C	S	.	.	S	Bend	trans	-128.4	98.8	178.2	-164.8	0	0	0	0	109.1	V36 R41 M43 V189 N190 I242	V36-V38 HydrophobicContact CG1-CG2 3.99Å; V36-V38 HydrophobicContact CG2-CG2 4.04Å; V38-R41 PolarHBondContact N-O 3.34Å; V38-M43 HydrophobicContact CG2-CB 4.45Å; V38-M43 HydrophobicContact CG2-CE 4.47Å; V38-V189 HydrophobicContact CG1-CG1 3.97Å; V38-N190 WeakPolarHBondContact CG1-ND2 3.09Å; V38-I242 HydrophobicContact CB-CD1 4.49Å; V38-I242 HydrophobicContact CG1-CD1 3.84Å; V38-I242 HydrophobicContact CG1-CG1 4.4Å; V38-I242 HydrophobicContact CG2-CD1 3.82Å; V38-I242 HydrophobicContact CG2-CG1 3.54Å
39	G	85.5	Confident	92.1	Very high	45 Å²	45	53 Å²	53	46%	0.464	29%	0.287	S	S	.	.	S	Bend	trans	71.6	34.5	-178.9	0	0	0	0	0	113.6	R41	G39-R41 VanDerWaalsContact C-N 3.33Å
40	G	88.5	Confident	93.7	Very high	59 Å²	59	55.4 Å²	55.4	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	78.9	15.6	-177.3	0	0	0	0	0	113.8	D37	D37-G40 WeakPolarHBondContact OD1-CA 3.46Å; D37-G40 PolarHBondContact OD1-N 3.48Å; D37-G40 WeakPolarHBondContact OD2-CA 3.33Å
41	R	88.5	Confident	94.4	Very high	38 Å²	38	50.7 Å²	50.7	14%	0.143	28%	0.28	C	S	.	.			trans	-124.1	126.1	176.8	-63.8	-173.3	-158.5	175	16	111.1	D37 V38 G39 M43 M62 N150 N190 P191 T192	D37-R41 PolarHBondContact OD2-N 3.15Å; V38-R41 PolarHBondContact N-O 3.34Å; G39-R41 VanDerWaalsContact C-N 3.33Å; R41-M43 PolarHBondContact O-N 3.27Å; R41-M62 HydrophobicContact CB-SD 4.43Å; R41-N150 PolarHBondContact NH1-OD1 3.34Å; R41-N150 VanDerWaalsContact NH1-OD1 3.1Å; R41-N190 PolarHBondContact NE-O 2.95Å; R41-N190 PolarHBondContact NH1-O 2.95Å; R41-N190 PolarHBondContact NH2-O 3.07Å; R41-P191 PolarHBondContact NH1-O 3.05Å; R41-P191 VanDerWaalsContact NH2-C 3.3Å; R41-T192 VanDerWaalsContact CZ-CG2 3.47Å; R41-T192 VanDerWaalsContact NH1-CG2 3.3Å; R41-T192 VanDerWaalsContact NH2-CG2 3.29Å
42	P	94.6	Very high	94.5	Very high	87 Å²	87	52.6 Å²	52.6	57%	0.565	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.3	175.4	28.8	-33	0	0	0	110.2
43	M	97.4	Very high	94.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127	167.9	-178.8	-179.5	-57.5	0	0	108.7	D35 V36 V38 R41 R61 M62 L155 N158	D35-M43 WeakPolarHBondContact CA-O 3.34Å; V36-M43 HydrophobicContact CG1-CB 3.96Å; V36-M43 HydrophobicContact CG1-CG 4.47Å; V36-M43 PolarHBondContact N-O 2.72Å; V36-M43 PolarHBondContact O-N 3.3Å; V38-M43 HydrophobicContact CG2-CB 4.45Å; V38-M43 HydrophobicContact CG2-CE 4.47Å; R41-M43 PolarHBondContact O-N 3.27Å; M43-R61 CarbonylContact C-O 3.53Å; M43-R61 WeakPolarHBondContact CA-O 3.47Å; M43-M62 HydrophobicContact CE-SD 4.29Å; M43-L155 HydrophobicContact CE-CD1 4.17Å; M43-L155 HydrophobicContact CG-CD1 3.75Å; M43-L155 HydrophobicContact SD-CD1 3.89Å; M43-N158 HydrophobicContact SD-CB 4.05Å
44	R	97.8	Very high	94.3	Very high	104 Å²	104	59.1 Å²	59.1	39%	0.392	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	177.3	179.9	171	-77.7	-173.7	-7.8	110.5	V34 D35 G60 R61	V34-R44 WeakPolarHBondContact O-CA 3.22Å; D35-R44 VanDerWaalsContact OD1-CB 3.25Å; D35-R44 WeakPolarHBondContact OD1-CB 3.35Å; D35-R44 WeakPolarHBondContact OD1-CG 3.25Å; D35-R44 IonicContact OD1-CZ 3.63Å; D35-R44 IonicContact OD1-NE 3.67Å; D35-R44 PolarHBondContact OD1-NE 2.86Å; D35-R44 IonicContact OD1-NH2 2.65Å; D35-R44 PolarHBondContact OD1-NH2 3.33Å; D35-R44 IonicContact OD2-CZ 3.34Å; D35-R44 IonicContact OD2-NE 2.86Å; D35-R44 PolarHBondContact OD2-NE 3.1Å; D35-R44 IonicContact OD2-NH2 3.12Å; D35-R44 PolarHBondContact OD2-NH2 2.99Å; R44-G60 CarbonylContact O-C 3.5Å; R44-G60 WeakPolarHBondContact O-CA 3.48Å; R44-R61 HydrophobicContact CB-CB 4.33Å; R44-R61 PolarHBondContact N-O 2.86Å; R44-R61 PolarHBondContact O-N 2.8Å
45	L	98.2	Very high	94.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.4	172.3	-56.4	174.5	0	0	0	109.2	C33 V34 V58 A159 A162 I246 L249	C33-L45 CarbonylContact C-O 3.6Å; C33-L45 VanDerWaalsContact CA-O 3.26Å; C33-L45 WeakPolarHBondContact CA-O 3.41Å; V34-L45 HydrophobicContact CG2-CB 3.84Å; V34-L45 HydrophobicContact CG2-CD1 4.44Å; V34-L45 PolarHBondContact N-O 2.96Å; V34-L45 PolarHBondContact O-N 3.4Å; L45-V58 HydrophobicContact CB-CG1 4.12Å; L45-V58 HydrophobicContact CD2-CG1 4.23Å; L45-A159 HydrophobicContact CD2-CB 4.44Å; L45-A162 HydrophobicContact CD1-CB 4.03Å; L45-I246 HydrophobicContact CD1-CD1 4.42Å; L45-I246 HydrophobicContact CD1-CG1 3.71Å; L45-L249 HydrophobicContact CB-CD2 4.06Å
46	E	97.4	Very high	94.2	Very high	17 Å²	17	55.8 Å²	55.8	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	-175.9	176.4	-175.1	129.5	0	0	111.3	Y31 C33 R49 V58 L59	Y31-E46 HydrophobicContact CD2-CG 4.33Å; Y31-E46 HydrophobicContact CE2-CG 3.49Å; Y31-E46 VanDerWaalsContact CE2-CG 3.49Å; Y31-E46 WeakPolarHBondContact CE2-OE1 3.22Å; Y31-E46 PolarHBondContact OH-OE2 3.36Å; C33-E46 HydrophobicContact CB-CB 4.31Å; E46-R49 VanDerWaalsContact OE1-CB 3.27Å; E46-R49 WeakPolarHBondContact OE1-CB 3.37Å; E46-R49 WeakPolarHBondContact OE1-CD 3.48Å; E46-R49 IonicContact OE1-NH1 3.63Å; E46-V58 CarbonylContact O-C 3.56Å; E46-V58 VanDerWaalsContact O-CA 3.25Å; E46-V58 WeakPolarHBondContact O-CA 3.43Å; E46-L59 HydrophobicContact CB-CB 4.3Å; E46-L59 PolarHBondContact N-O 2.99Å; E46-L59 PolarHBondContact O-N 2.63Å
47	T	97.1	Very high	94.3	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160	175.7	-171	0	0	0	0	112.5	Y31 S32 R49 C57 L249 A253	Y31-T47 WeakPolarHBondContact CA-O 3.4Å; S32-T47 PolarHBondContact N-O 3.48Å; S32-T47 PolarHBondContact O-N 3.43Å; T47-R49 PolarHBondContact O-N 3.46Å; T47-C57 PolarHBondContact OG1-O 3.24Å; T47-L249 HydrophobicContact CG2-CD1 3.94Å; T47-L249 HydrophobicContact CG2-CD2 4.45Å; T47-L249 HydrophobicContact CG2-CG 4.16Å; T47-A253 HydrophobicContact CG2-CB 3.53Å
48	G	93.3	Very high	94.4	Very high	8 Å²	8	50.4 Å²	50.4	8%	0.082	27%	0.269	C	S	.	.	S	Bend	trans	86.3	-11.7	172.7	0	0	0	0	0	116.8	S29 R52	S29-G48 WeakPolarHBondContact OG-CA 3.24Å; G48-R52 WeakPolarHBondContact O-CD 3.43Å
49	R	93.5	Very high	94.8	Very high	151 Å²	151	51.6 Å²	51.6	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-78	-48.2	175.7	-171.7	175	178	-179.9	0.2	113.3	Y31 E46 T47	Y31-R49 HydrophobicContact CD2-CB 4.03Å; Y31-R49 HydrophobicContact CE2-CB 4.14Å; E46-R49 VanDerWaalsContact OE1-CB 3.27Å; E46-R49 WeakPolarHBondContact OE1-CB 3.37Å; E46-R49 WeakPolarHBondContact OE1-CD 3.48Å; E46-R49 IonicContact OE1-NH1 3.63Å; T47-R49 PolarHBondContact O-N 3.46Å
50	F	95	Very high	95.4	Very high	86 Å²	86	49.4 Å²	49.4	38%	0.377	25%	0.253	S	S	.	.	S	Bend	trans	-113.7	162.8	-172.2	-61.5	-70	0	0	0	112.5	R52 L59 M68	F50-R52 VanDerWaalsContact C-N 3.25Å; F50-R52 PolarHBondContact O-N 3.4Å; F50-L59 HydrophobicContact CD2-CD1 4.28Å; F50-L59 HydrophobicContact CE2-CD2 4.45Å; F50-M68 HydrophobicContact CB-SD 4.26Å
51	A	95.1	Very high	95.8	Very high	45 Å²	45	51.7 Å²	51.7	37%	0.372	24%	0.243	S	C	.	.			trans	43	43.5	175.2	0	0	0	0	0	115.3	M53 A54 C57 T70	A51-M53 PolarHBondContact O-N 2.99Å; A51-A54 VanDerWaalsContact O-CB 3.31Å; A51-A54 WeakPolarHBondContact O-CB 3.32Å; A51-A54 PolarHBondContact O-N 3.26Å; A51-C57 HydrophobicContact CB-CB 4.02Å; A51-T70 HydrophobicContact CB-CG2 3.65Å
52	R	93.2	Very high	96.1	Very high	156 Å²	156	50.3 Å²	50.3	59%	0.589	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-12	-172.5	-61.4	-178.5	-62.9	-176.9	-0.6	115.6	G48 F50	G48-R52 WeakPolarHBondContact O-CD 3.43Å; F50-R52 VanDerWaalsContact C-N 3.25Å; F50-R52 PolarHBondContact O-N 3.4Å
53	M	93.5	Very high	96.1	Very high	192 Å²	192	48.2 Å²	48.2	95%	0.946	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.2	173	-66.3	-176	70.2	0	0	113	A51	A51-M53 PolarHBondContact O-N 2.99Å
54	A	96	Very high	96	Very high	13 Å²	13	52.9 Å²	52.9	11%	0.107	26%	0.258	C	S	.	.	S	Bend	trans	-70.2	155.8	173.9	0	0	0	0	0	110.8	A51 G56 V72 K255	A51-A54 VanDerWaalsContact O-CB 3.31Å; A51-A54 WeakPolarHBondContact O-CB 3.32Å; A51-A54 PolarHBondContact O-N 3.26Å; A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.45Å; A54-V72 HydrophobicContact CB-CG2 4.17Å; A54-K255 PolarHBondContact O-NZ 2.99Å; A54-K255 VanDerWaalsContact O-NZ 3.13Å
55	D	95.5	Very high	95.9	Very high	31 Å²	31	48 Å²	48	17%	0.166	24%	0.239	C	C	.	.	S	Bend	trans	-62.4	-37.9	174.6	-81.6	-48.3	0	0	0	110.8	V71 G73 S167 P168 I169 K255 R258	D55-V71 WeakPolarHBondContact CB-O 3.43Å; D55-V71 PolarHBondContact N-O 3.12Å; D55-G73 PolarHBondContact OD2-N 3.23Å; D55-G73 VanDerWaalsContact OD2-O 3.06Å; D55-S167 WeakPolarHBondContact O-CA 3.48Å; D55-P168 HydrophobicContact CB-CG 4.24Å; D55-P168 WeakPolarHBondContact O-CD 3.38Å; D55-I169 HydrophobicContact CB-CD1 4.3Å; D55-I169 HydrophobicContact CB-CG1 4.44Å; D55-K255 WeakPolarHBondContact O-CD 3.41Å; D55-K255 WeakPolarHBondContact O-CE 3.18Å; D55-K255 PolarHBondContact O-NZ 3.24Å; D55-R258 VanDerWaalsContact CG-NH2 3.33Å; D55-R258 IonicContact OD1-NH2 3.7Å; D55-R258 PolarHBondContact OD1-NH2 2.81Å; D55-R258 IonicContact OD2-NH2 3.7Å; D55-R258 PolarHBondContact OD2-NH2 2.98Å
56	G	96	Very high	95.9	Very high	5 Å²	5	48.3 Å²	48.3	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.5	167.1	0	0	0	0	0	111.7	A54 T70 V71	A54-G56 VanDerWaalsContact C-N 3.25Å; A54-G56 PolarHBondContact O-N 3.45Å; G56-T70 WeakPolarHBondContact O-CA 3.5Å; G56-V71 PolarHBondContact N-O 3.42Å; G56-V71 VanDerWaalsContact N-O 3.11Å; G56-V71 PolarHBondContact O-N 2.7Å
57	C	97.7	Very high	95.9	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.9	172.8	177.6	0	0	0	0	109.3	T47 A51 V69 T70	T47-C57 PolarHBondContact OG1-O 3.24Å; A51-C57 HydrophobicContact CB-CB 4.02Å; C57-V69 CarbonylContact C-O 3.53Å; C57-V69 VanDerWaalsContact CA-O 3.28Å; C57-V69 WeakPolarHBondContact CA-O 3.45Å; C57-T70 HydrophobicContact CB-CG2 4.19Å
58	V	98.2	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.3	173	170.8	0	0	0	0	110.1	L45 E46 V69 A159 A162 A163 L249	L45-V58 HydrophobicContact CB-CG1 4.12Å; L45-V58 HydrophobicContact CD2-CG1 4.23Å; E46-V58 CarbonylContact O-C 3.56Å; E46-V58 VanDerWaalsContact O-CA 3.25Å; E46-V58 WeakPolarHBondContact O-CA 3.43Å; V58-V69 PolarHBondContact N-O 2.71Å; V58-V69 PolarHBondContact O-N 3.5Å; V58-A159 HydrophobicContact CG1-CB 4.3Å; V58-A162 HydrophobicContact CB-CB 4.3Å; V58-A162 HydrophobicContact CG1-CB 4.01Å; V58-A162 HydrophobicContact CG2-CB 3.89Å; V58-A163 HydrophobicContact CB-CB 4.11Å; V58-A163 HydrophobicContact CG2-CB 4.07Å; V58-L249 HydrophobicContact CG2-CD2 4.22Å
59	L	98.1	Very high	96.2	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.4	166.7	-154.4	87.8	0	0	0	108	E46 F50 V66 V67 M68	E46-L59 HydrophobicContact CB-CB 4.3Å; E46-L59 PolarHBondContact N-O 2.99Å; E46-L59 PolarHBondContact O-N 2.63Å; F50-L59 HydrophobicContact CD2-CD1 4.28Å; F50-L59 HydrophobicContact CE2-CD2 4.45Å; L59-V66 HydrophobicContact CD1-CG1 3.89Å; L59-V66 HydrophobicContact CD2-CG1 3.64Å; L59-V66 HydrophobicContact CG-CG1 3.6Å; L59-V67 CarbonylContact C-O 3.59Å; L59-V67 WeakPolarHBondContact CA-O 3.5Å; L59-M68 HydrophobicContact CD1-CB 3.79Å; L59-M68 HydrophobicContact CD1-CG 4.08Å
60	G	97.9	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.7	170.9	0	0	0	0	0	110.2	R44 V66 V67	R44-G60 CarbonylContact O-C 3.5Å; R44-G60 WeakPolarHBondContact O-CA 3.48Å; G60-V66 CarbonylContact O-C 3.57Å; G60-V66 WeakPolarHBondContact O-CA 3.5Å; G60-V67 PolarHBondContact N-O 3.2Å; G60-V67 PolarHBondContact O-N 3.11Å
61	R	97.6	Very high	96.6	Very high	107 Å²	107	38.3 Å²	38.3	40%	0.404	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.9	175.8	174.1	-177.5	-84	-127.6	-4.9	110.9	M43 R44 G63 D64 T65 V66	M43-R61 CarbonylContact C-O 3.53Å; M43-R61 WeakPolarHBondContact CA-O 3.47Å; R44-R61 HydrophobicContact CB-CB 4.33Å; R44-R61 PolarHBondContact N-O 2.86Å; R44-R61 PolarHBondContact O-N 2.8Å; R61-G63 WeakPolarHBondContact CD-O 3.35Å; R61-G63 WeakPolarHBondContact CG-O 3.43Å; R61-D64 IonicContact NH1-OD1 2.69Å; R61-T65 WeakPolarHBondContact CA-O 3.43Å; R61-V66 HydrophobicContact CB-CG2 4.2Å; R61-V66 HydrophobicContact CG-CG2 4.06Å
62	M	95.9	Very high	96.6	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	114.5	167.3	-173.3	166.9	71.5	0	0	107.7	R41 M43 D64 T65 N150 L155	R41-M62 HydrophobicContact CB-SD 4.43Å; M43-M62 HydrophobicContact CE-SD 4.29Å; M62-D64 PolarHBondContact O-N 3.16Å; M62-T65 PolarHBondContact N-O 2.95Å; M62-T65 PolarHBondContact O-N 2.76Å; M62-T65 VanDerWaalsContact O-N 3.13Å; M62-N150 HydrophobicContact CE-CB 3.55Å; M62-N150 HydrophobicContact CG-CB 4.33Å; M62-N150 PolarHBondContact O-ND2 2.83Å; M62-L155 HydrophobicContact CB-CD1 4.38Å; M62-L155 HydrophobicContact CB-CD2 4.23Å
63	G	94.3	Very high	96.6	Very high	43 Å²	43	32.3 Å²	32.3	44%	0.443	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-125	-164.4	0	0	0	0	0	111.2	R61	R61-G63 WeakPolarHBondContact CD-O 3.35Å; R61-G63 WeakPolarHBondContact CG-O 3.43Å
64	D	95	Very high	96.4	Very high	100 Å²	100	29 Å²	29	54%	0.535	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	0	174.2	-74.7	-42.5	0	0	0	112.9	R61 M62 V66 S145 D147	R61-D64 IonicContact NH1-OD1 2.69Å; M62-D64 PolarHBondContact O-N 3.16Å; D64-V66 PolarHBondContact O-N 2.91Å; D64-S145 PolarHBondContact O-OG 2.99Å; D64-D147 HydrophobicContact CB-CB 3.87Å; D64-D147 PolarHBondContact N-OD2 2.85Å
65	T	96.1	Very high	95.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.9	167.8	-70.6	0	0	0	0	110.2	R61 M62 L143 S145 Y146 D147 N150 P152 L155	R61-T65 WeakPolarHBondContact CA-O 3.43Å; M62-T65 PolarHBondContact N-O 2.95Å; M62-T65 PolarHBondContact O-N 2.76Å; M62-T65 VanDerWaalsContact O-N 3.13Å; T65-L143 HydrophobicContact CG2-CD1 4.22Å; T65-S145 CarbonylContact C-O 3.59Å; T65-S145 WeakPolarHBondContact CA-O 3.44Å; T65-Y146 HydrophobicContact CG2-CD2 4.17Å; T65-D147 PolarHBondContact N-OD2 2.83Å; T65-D147 PolarHBondContact OG1-N 3.35Å; T65-D147 PolarHBondContact OG1-OD1 3.08Å; T65-D147 PolarHBondContact OG1-OD2 2.94Å; T65-N150 PolarHBondContact OG1-O 2.85Å; T65-P152 HydrophobicContact CG2-CB 4.08Å; T65-L155 HydrophobicContact CG2-CD2 4.19Å
66	V	97.4	Very high	94.5	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127	-174.6	-178.7	0	0	0	0	110.7	L59 G60 R61 D64 I144 S145	L59-V66 HydrophobicContact CD1-CG1 3.89Å; L59-V66 HydrophobicContact CD2-CG1 3.64Å; L59-V66 HydrophobicContact CG-CG1 3.6Å; G60-V66 CarbonylContact O-C 3.57Å; G60-V66 WeakPolarHBondContact O-CA 3.5Å; R61-V66 HydrophobicContact CB-CG2 4.2Å; R61-V66 HydrophobicContact CG-CG2 4.06Å; D64-V66 PolarHBondContact O-N 2.91Å; V66-I144 HydrophobicContact CG1-CB 4.35Å; V66-I144 PolarHBondContact O-N 2.79Å; V66-S145 PolarHBondContact N-O 3.32Å; V66-S145 PolarHBondContact O-N 3.36Å
67	V	97.8	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.8	173.7	-60.2	0	0	0	0	110	L59 G60 N142 L143 P152 L155 A159	L59-V67 CarbonylContact C-O 3.59Å; L59-V67 WeakPolarHBondContact CA-O 3.5Å; G60-V67 PolarHBondContact N-O 3.2Å; G60-V67 PolarHBondContact O-N 3.11Å; V67-N142 WeakPolarHBondContact CA-O 3.44Å; V67-L143 HydrophobicContact CG1-CD1 3.7Å; V67-P152 HydrophobicContact CG1-CB 4.04Å; V67-L155 HydrophobicContact CG1-CD2 4.29Å; V67-L155 HydrophobicContact CG2-CD2 3.92Å; V67-L155 HydrophobicContact CG2-CG 3.71Å; V67-A159 HydrophobicContact CG2-CB 3.95Å
68	M	98.2	Very high	91.8	Very high	37 Å²	37	45.1 Å²	45.1	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.7	171.8	-175	178.2	69.6	0	0	108.7	F50 L59 N142 I144	F50-M68 HydrophobicContact CB-SD 4.26Å; L59-M68 HydrophobicContact CD1-CB 3.79Å; L59-M68 HydrophobicContact CD1-CG 4.08Å; M68-N142 PolarHBondContact N-O 3.33Å; M68-N142 PolarHBondContact O-N 3.27Å; M68-I144 HydrophobicContact CB-CD1 4.07Å; M68-I144 HydrophobicContact CB-CG1 3.7Å; M68-I144 HydrophobicContact CE-CD1 4.43Å
69	V	98.5	Very high	90.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.6	177.7	-173.1	0	0	0	0	110	C57 V58 V139 L140 C141 A159 A160 A163	C57-V69 CarbonylContact C-O 3.53Å; C57-V69 VanDerWaalsContact CA-O 3.28Å; C57-V69 WeakPolarHBondContact CA-O 3.45Å; V58-V69 PolarHBondContact N-O 2.71Å; V58-V69 PolarHBondContact O-N 3.5Å; V69-V139 HydrophobicContact CG1-CG1 3.77Å; V69-L140 WeakPolarHBondContact CA-O 3.49Å; V69-C141 VanDerWaalsContact CG1-SG 3.6Å; V69-C141 HydrophobicContact CG2-CB 4.13Å; V69-A159 HydrophobicContact CB-CB 4.28Å; V69-A159 HydrophobicContact CG2-CB 3.59Å; V69-A160 HydrophobicContact CG1-CB 3.81Å; V69-A163 HydrophobicContact CG1-CB 4.33Å
70	T	98.3	Very high	88.8	Confident	22 Å²	22	53 Å²	53	14%	0.135	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.1	175.1	55.9	0	0	0	0	110.1	A51 G56 C57 L140	A51-T70 HydrophobicContact CB-CG2 3.65Å; G56-T70 WeakPolarHBondContact O-CA 3.5Å; C57-T70 HydrophobicContact CB-CG2 4.19Å; T70-L140 PolarHBondContact N-O 3.08Å; T70-L140 PolarHBondContact O-N 3.38Å
71	V	97.9	Very high	87.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.8	176.3	-54.9	0	0	0	0	110.2	D55 G56 Q138 V139 A163 L164 I169	D55-V71 WeakPolarHBondContact CB-O 3.43Å; D55-V71 PolarHBondContact N-O 3.12Å; G56-V71 PolarHBondContact N-O 3.42Å; G56-V71 VanDerWaalsContact N-O 3.11Å; G56-V71 PolarHBondContact O-N 2.7Å; V71-Q138 VanDerWaalsContact CA-O 3.32Å; V71-Q138 WeakPolarHBondContact CA-O 3.28Å; V71-V139 HydrophobicContact CG1-CB 4.36Å; V71-V139 HydrophobicContact CG1-CG1 4.11Å; V71-V139 HydrophobicContact CG1-CG2 3.94Å; V71-A163 HydrophobicContact CG1-CB 3.8Å; V71-A163 HydrophobicContact CG2-CB 4.21Å; V71-A163 WeakPolarHBondContact CG2-O 3.4Å; V71-L164 HydrophobicContact CB-CD2 4.04Å; V71-L164 HydrophobicContact CG1-CD2 3.96Å; V71-L164 HydrophobicContact CG1-CG 4.02Å; V71-L164 HydrophobicContact CG2-CD2 4.22Å; V71-I169 HydrophobicContact CB-CD1 4.47Å; V71-I169 HydrophobicContact CG2-CD1 4.35Å
72	V	96.3	Very high	86.3	Confident	70 Å²	70	60 Å²	60	42%	0.424	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.5	177.5	-178.3	0	0	0	0	108	A54 C137 Q138	A54-V72 HydrophobicContact CB-CG2 4.17Å; V72-C137 WeakPolarHBondContact O-CA 3.05Å; V72-Q138 PolarHBondContact N-O 2.95Å; V72-Q138 PolarHBondContact O-N 2.94Å
73	G	92.9	Very high	85.6	Confident	5 Å²	5	60.8 Å²	60.8	5%	0.052	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.8	178.5	0	0	0	0	0	110.8	D55 D136 R258	D55-G73 PolarHBondContact OD2-N 3.23Å; D55-G73 VanDerWaalsContact OD2-O 3.06Å; G73-D136 CarbonylContact C-O 3.58Å; G73-D136 VanDerWaalsContact CA-O 3.28Å; G73-D136 WeakPolarHBondContact CA-O 3.46Å; G73-R258 PolarHBondContact O-NH1 3.09Å; G73-R258 PolarHBondContact O-NH2 3.18Å
74	K	88	Confident	85.4	Confident	124 Å²	124	59.3 Å²	59.3	54%	0.539	31%	0.313	S	S	.	.			trans	-67.1	151.2	173.2	-69.3	-173.9	-171.6	160.8	0	110.9	S135 D136 R258	K74-S135 WeakPolarHBondContact O-CB 3.12Å; K74-S135 PolarHBondContact O-OG 3.05Å; K74-D136 HydrophobicContact CB-CB 4.48Å; K74-D136 HydrophobicContact CD-CB 4Å; K74-D136 WeakPolarHBondContact CD-OD2 3.44Å; K74-D136 WeakPolarHBondContact CE-OD2 3.37Å; K74-D136 HydrophobicContact CG-CB 4.18Å; K74-D136 PolarHBondContact N-O 3.27Å; K74-D136 IonicContact NZ-OD2 3.46Å; K74-D136 PolarHBondContact NZ-OD2 3.39Å; K74-R258 PolarHBondContact O-NH1 3.03Å
75	E	79	Confident	85.3	Confident	149 Å²	149	55.1 Å²	55.1	70%	0.696	29%	0.291	S	S	*	.	S	Bend	trans	-81.5	-32.3	174.8	-72.2	-176.8	170	0	0	112.6
76	K	73.7	Confident	85.2	Confident	177 Å²	177	58.3 Å²	58.3	77%	0.77	31%	0.31	S	S	*	.	S	Bend	trans	-82.7	138.2	178.4	-68.7	-174	177.7	-175.1	0	110.4
77	S	69.9	Low	85.2	Confident	46 Å²	46	58.1 Å²	58.1	32%	0.322	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60.2	139.8	168.3	-57.2	0	0	0	0	109.9
78	S	67.7	Low	85.2	Confident	25 Å²	25	59.9 Å²	59.9	18%	0.175	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.8	166.6	170	68.7	0	0	0	0	110.1	H80 P84 Y134	S78-H80 PolarHBondContact O-N 3.4Å; S78-H80 PolarHBondContact OG-CD2 3.38Å; S78-H80 PolarHBondContact OG-N 3.42Å; S78-P84 WeakPolarHBondContact OG-CG 3.39Å; S78-Y134 WeakPolarHBondContact CB-O 3.3Å; S78-Y134 PolarHBondContact N-O 3.14Å; S78-Y134 PolarHBondContact OG-O 3.02Å
79	A	66.6	Low	85.1	Confident	102 Å²	102	58.3 Å²	58.3	84%	0.843	31%	0.311	S	S	*	.	S	Bend	trans	-78.4	9.5	173.6	0	0	0	0	0	112.9
80	H	66	Low	84.9	Confident	91 Å²	91	61.8 Å²	61.8	42%	0.421	32%	0.324	S	S	.	.			trans	-92	138.6	-174.8	-58.4	-55.2	0	0	0	111.1	S78 F82 Y134	S78-H80 PolarHBondContact O-N 3.4Å; S78-H80 PolarHBondContact OG-CD2 3.38Å; S78-H80 PolarHBondContact OG-N 3.42Å; H80-F82 HydrophobicContact CB-CD1 3.98Å; H80-F82 HydrophobicContact CB-CE1 3.83Å; H80-F82 HydrophobicContact CB-CZ 4.25Å; H80-F82 PolarHBondContact O-N 3.39Å; H80-F82 VanDerWaalsContact O-N 3.12Å; H80-Y134 VanDerWaalsContact O-CD1 3.3Å; H80-Y134 WeakPolarHBondContact O-CD1 3.48Å
81	N	67.3	Low	84.5	Confident	130 Å²	130	61.3 Å²	61.3	70%	0.695	32%	0.32	S	S	*	.	S	Bend	trans	-80.7	22.5	175.1	-62.7	-2.1	0	0	0	112.8
82	F	75.6	Confident	84.1	Confident	123 Å²	123	66.3 Å²	66.3	54%	0.539	34%	0.339	S	S	.	.	S	Bend	trans	-147.9	157	179.8	67.2	-91	0	0	0	110.8	H80 P84	H80-F82 HydrophobicContact CB-CD1 3.98Å; H80-F82 HydrophobicContact CB-CE1 3.83Å; H80-F82 HydrophobicContact CB-CZ 4.25Å; H80-F82 PolarHBondContact O-N 3.39Å; H80-F82 VanDerWaalsContact O-N 3.12Å; F82-P84 HydrophobicContact CE2-CB 4.34Å; F82-P84 WeakPolarHBondContact O-CD 3.31Å
83	M	81.8	Confident	83.8	Confident	24 Å²	24	63 Å²	63	12%	0.118	32%	0.319	C	S	.	.			trans	-65.1	108.8	175	175	57.9	-167.1	0	0	110.7	L85 R126 F129 C133 C137	M83-L85 HydrophobicContact CE-CB 4.05Å; M83-L85 HydrophobicContact CG-CB 4.2Å; M83-L85 PolarHBondContact O-N 3.47Å; M83-R126 PolarHBondContact O-NH1 3.24Å; M83-F129 HydrophobicContact CE-CB 4.45Å; M83-F129 HydrophobicContact CE-CD1 3.31Å; M83-F129 HydrophobicContact CE-CD2 4.15Å; M83-F129 HydrophobicContact CE-CE1 3.39Å; M83-F129 HydrophobicContact CE-CE2 4.22Å; M83-F129 HydrophobicContact CE-CG 3.7Å; M83-F129 HydrophobicContact CE-CZ 3.86Å; M83-F129 HydrophobicContact CG-CB 4.02Å; M83-F129 HydrophobicContact CG-CG 4.11Å; M83-F129 HydrophobicContact SD-CB 4.22Å; M83-F129 HydrophobicContact SD-CD1 3.97Å; M83-F129 HydrophobicContact SD-CG 4.11Å; M83-C133 HydrophobicContact SD-CB 4.24Å; M83-C137 HydrophobicContact CE-CB 3.46Å; M83-C137 VanDerWaalsContact CE-CB 3.46Å
84	P	88.5	Confident	83.8	Confident	13 Å²	13	66.8 Å²	66.8	8%	0.084	35%	0.345	C	S	.	.			trans	-83.1	69.5	-179	15.7	1.2	0	0	0	109.9	S78 F82 D136 C137	S78-P84 WeakPolarHBondContact OG-CG 3.39Å; F82-P84 HydrophobicContact CE2-CB 4.34Å; F82-P84 WeakPolarHBondContact O-CD 3.31Å; P84-D136 WeakPolarHBondContact CB-OD1 3.27Å; P84-D136 VanDerWaalsContact CG-OD1 3.3Å; P84-D136 WeakPolarHBondContact CG-OD1 3.47Å; P84-C137 PolarHBondContact O-N 2.96Å
85	L	93.3	Very high	84	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.058	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.6	171.5	176.5	66.5	0	0	0	109.7	M83 V87 D122 L125 R126 F129 C137 V139	M83-L85 HydrophobicContact CE-CB 4.05Å; M83-L85 HydrophobicContact CG-CB 4.2Å; M83-L85 PolarHBondContact O-N 3.47Å; L85-V87 HydrophobicContact CD1-CG2 4.1Å; L85-V87 HydrophobicContact CD2-CG2 4.17Å; L85-V87 HydrophobicContact CG-CG2 3.93Å; L85-D122 WeakPolarHBondContact CD2-OD1 3.2Å; L85-L125 HydrophobicContact CD2-CB 4.48Å; L85-R126 HydrophobicContact CD2-CB 4.11Å; L85-R126 PolarHBondContact O-NH2 3.11Å; L85-F129 HydrophobicContact CD1-CE2 4.11Å; L85-F129 HydrophobicContact CD1-CZ 4.16Å; L85-F129 HydrophobicContact CD2-CD2 4.33Å; L85-F129 HydrophobicContact CD2-CE2 3.83Å; L85-F129 HydrophobicContact CG-CE2 4.49Å; L85-C137 WeakPolarHBondContact CA-O 3.39Å; L85-C137 HydrophobicContact CD1-CB 4.07Å; L85-V139 HydrophobicContact CD1-CG2 3.89Å
86	T	95.2	Very high	84.6	Confident	68 Å²	68	55.3 Å²	55.3	42%	0.417	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.5	171.2	-59.2	0	0	0	0	109.3	C137 Q138 V139	T86-C137 PolarHBondContact N-O 2.82Å; T86-Q138 CarbonylContact O-C 3.52Å; T86-Q138 WeakPolarHBondContact O-CA 3.34Å; T86-V139 PolarHBondContact O-N 3.15Å
87	V	97.3	Very high	85.4	Confident	3 Å²	3	50 Å²	50	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.9	176.2	-174.1	0	0	0	0	109.8	L85 I121 D122 V139 R432	L85-V87 HydrophobicContact CD1-CG2 4.1Å; L85-V87 HydrophobicContact CD2-CG2 4.17Å; L85-V87 HydrophobicContact CG-CG2 3.93Å; V87-I121 HydrophobicContact CG1-CB 3.84Å; V87-I121 HydrophobicContact CG1-CG2 3.63Å; V87-D122 HydrophobicContact CB-CB 4.08Å; V87-D122 HydrophobicContact CG2-CB 3.79Å; V87-V139 WeakPolarHBondContact CA-O 3.44Å; V87-V139 HydrophobicContact CG1-CB 4.3Å; V87-V139 HydrophobicContact CG1-CG1 4.42Å; V87-V139 HydrophobicContact CG2-CB 4.09Å; V87-V139 HydrophobicContact CG2-CG2 4.38Å; V87-R432 PolarHBondContact O-NH1 3.3Å
88	D	96.4	Very high	86.4	Confident	37 Å²	37	54.8 Å²	54.8	20%	0.198	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.1	175.3	-69.9	-48.7	0	0	0	109.6	V139 L140 C141 R432	D88-V139 PolarHBondContact N-O 2.9Å; D88-L140 HydrophobicContact CB-CD1 3.8Å; D88-C141 PolarHBondContact O-N 3.06Å; D88-R432 IonicContact OD1-CZ 3.12Å; D88-R432 IonicContact OD1-NH1 2.71Å; D88-R432 IonicContact OD1-NH2 2.8Å; D88-R432 PolarHBondContact OD1-NH2 2.92Å
89	Y	96.4	Very high	87.4	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.02	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.4	170.5	177.2	-88.1	0	0	0	108.6	N91 E114 T117 I121 C141 P152 S156	Y89-N91 WeakPolarHBondContact CE1-OD1 3.4Å; Y89-N91 PolarHBondContact OH-OD1 3.07Å; Y89-E114 HydrophobicContact CD1-CB 4.33Å; Y89-E114 HydrophobicContact CD1-CG 4.12Å; Y89-E114 HydrophobicContact CE1-CG 4.48Å; Y89-E114 WeakPolarHBondContact O-CB 3.28Å; Y89-T117 HydrophobicContact CD1-CG2 3.89Å; Y89-T117 HydrophobicContact CD2-CG2 3.69Å; Y89-T117 HydrophobicContact CE1-CG2 4.14Å; Y89-T117 HydrophobicContact CE2-CG2 3.99Å; Y89-T117 HydrophobicContact CG-CG2 3.65Å; Y89-I121 HydrophobicContact CD2-CD1 4.01Å; Y89-I121 HydrophobicContact CG-CD1 4.49Å; Y89-C141 CarbonylContact C-O 3.59Å; Y89-C141 WeakPolarHBondContact CA-O 3.47Å; Y89-C141 HydrophobicContact CD2-CB 3.73Å; Y89-C141 HydrophobicContact CG-CB 4.48Å; Y89-P152 WeakPolarHBondContact OH-CG 3.38Å; Y89-S156 VanDerWaalsContact CE2-OG 3.32Å; Y89-S156 WeakPolarHBondContact CE2-OG 3.45Å
90	R	94.1	Very high	88.5	Confident	73 Å²	73	55.4 Å²	55.4	28%	0.275	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.7	-176.1	-59.3	-64.1	-92.4	156.4	-14.4	111.6	G109 E114 C141 L143	R90-G109 PolarHBondContact NH1-O 3.44Å; R90-G109 PolarHBondContact NH2-O 3Å; R90-E114 WeakPolarHBondContact CA-OE1 3.4Å; R90-E114 IonicContact NH1-OE1 3.52Å; R90-E114 PolarHBondContact NH1-OE1 3.25Å; R90-E114 IonicContact NH1-OE2 3.5Å; R90-E114 PolarHBondContact NH1-OE2 2.89Å; R90-C141 PolarHBondContact N-O 3.31Å; R90-L143 PolarHBondContact O-N 3.18Å
91	N	90.5	Very high	89.5	Confident	12 Å²	12	55 Å²	55	6%	0.064	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111	169.4	-81.8	-26	0	0	0	108.5	Y89 F96 E114 L143 G402	Y89-N91 WeakPolarHBondContact CE1-OD1 3.4Å; Y89-N91 PolarHBondContact OH-OD1 3.07Å; N91-F96 HydrophobicContact CB-CE2 4.04Å; N91-F96 HydrophobicContact CB-CZ 4.3Å; N91-E114 HydrophobicContact CB-CG 4.09Å; N91-E114 PolarHBondContact N-OE1 3.43Å; N91-L143 WeakPolarHBondContact OD1-CD2 3.4Å; N91-G402 PolarHBondContact ND2-O 3.41Å
92	R	88.7	Confident	90.4	Very high	104 Å²	104	50.8 Å²	50.8	39%	0.392	27%	0.269	S	S	.	.			trans	-84.3	130.5	173.5	-63.4	-169.5	177.8	-162	-0.7	109.6	S94 A95 F96 N142	R92-S94 PolarHBondContact O-N 2.88Å; R92-A95 HydrophobicContact CB-CB 4.37Å; R92-A95 VanDerWaalsContact O-CB 3.23Å; R92-A95 WeakPolarHBondContact O-CB 3.09Å; R92-A95 PolarHBondContact O-N 3.36Å; R92-F96 WeakPolarHBondContact O-CD2 3.23Å; R92-N142 PolarHBondContact NE-OD1 3.12Å; R92-N142 PolarHBondContact NH2-OD1 2.83Å; R92-N142 VanDerWaalsContact NH2-OD1 3.08Å
93	A	90.5	Very high	91.1	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60.1	-32	177.4	0	0	0	0	0	111.6	A95 F96 G97 R98 P100 E107 V398	A93-A95 VanDerWaalsContact C-N 3.27Å; A93-A95 PolarHBondContact O-N 3.07Å; A93-F96 PolarHBondContact O-N 3.38Å; A93-F96 VanDerWaalsContact O-N 3.13Å; A93-G97 PolarHBondContact O-N 2.95Å; A93-R98 CarbonylContact C-O 3.51Å; A93-R98 VanDerWaalsContact C-O 3.31Å; A93-R98 WeakPolarHBondContact CB-O 3.27Å; A93-R98 PolarHBondContact O-N 2.99Å; A93-R98 VanDerWaalsContact O-N 3.07Å; A93-P100 HydrophobicContact CB-CG 3.66Å; A93-E107 VanDerWaalsContact CB-OE1 3.29Å; A93-E107 WeakPolarHBondContact CB-OE1 3.1Å; A93-E107 PolarHBondContact N-OE1 2.94Å; A93-V398 HydrophobicContact CB-CG1 4.01Å; A93-V398 HydrophobicContact CB-CG2 4Å
94	S	92.4	Very high	91.6	Very high	85 Å²	85	58.2 Å²	58.2	59%	0.594	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.7	-29.3	173.4	61.4	0	0	0	0	113.8	R92 F96 G97	R92-S94 PolarHBondContact O-N 2.88Å; S94-F96 PolarHBondContact O-N 3.24Å; S94-G97 PolarHBondContact O-N 3.49Å
95	A	93.6	Very high	91.6	Very high	7 Å²	7	64.6 Å²	64.6	6%	0.058	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26.7	176.1	0	0	0	0	0	112.2	R92 A93 L143 I144 Y146	R92-A95 HydrophobicContact CB-CB 4.37Å; R92-A95 VanDerWaalsContact O-CB 3.23Å; R92-A95 WeakPolarHBondContact O-CB 3.09Å; R92-A95 PolarHBondContact O-N 3.36Å; A93-A95 VanDerWaalsContact C-N 3.27Å; A93-A95 PolarHBondContact O-N 3.07Å; A95-L143 HydrophobicContact CB-CB 4.48Å; A95-L143 HydrophobicContact CB-CD2 4.35Å; A95-L143 HydrophobicContact CB-CG 3.96Å; A95-L143 WeakPolarHBondContact CB-O 3.35Å; A95-I144 WeakPolarHBondContact CA-O 3.44Å; A95-I144 VanDerWaalsContact CB-C 3.47Å; A95-I144 WeakPolarHBondContact CB-O 3.27Å; A95-Y146 PolarHBondContact O-N 2.76Å; A95-Y146 VanDerWaalsContact O-N 3.12Å
96	F	91.8	Very high	91.4	Very high	25 Å²	25	72.8 Å²	72.8	11%	0.11	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-94.5	0.2	175.3	-52.1	-64.2	0	0	0	113.5	N91 R92 A93 S94 R98 L143 Y146 V398 L401 G402	N91-F96 HydrophobicContact CB-CE2 4.04Å; N91-F96 HydrophobicContact CB-CZ 4.3Å; R92-F96 WeakPolarHBondContact O-CD2 3.23Å; A93-F96 PolarHBondContact O-N 3.38Å; A93-F96 VanDerWaalsContact O-N 3.13Å; S94-F96 PolarHBondContact O-N 3.24Å; F96-R98 VanDerWaalsContact C-N 3.3Å; F96-R98 HydrophobicContact CB-CG 4.33Å; F96-R98 PolarHBondContact O-N 2.98Å; F96-L143 HydrophobicContact CE1-CD2 3.73Å; F96-L143 HydrophobicContact CE2-CD2 4.37Å; F96-L143 HydrophobicContact CZ-CD2 3.48Å; F96-L143 VanDerWaalsContact CZ-CD2 3.48Å; F96-Y146 AromaticContact CD1-CD1 3.48Å; F96-Y146 HydrophobicContact CD1-CD1 3.48Å; F96-Y146 VanDerWaalsContact CD1-CD1 3.48Å; F96-Y146 HydrophobicContact CD1-CE1 4.33Å; F96-Y146 AromaticContact CD1-CG 3.88Å; F96-Y146 HydrophobicContact CD1-CG 3.88Å; F96-Y146 AromaticContact CE1-CD1 3.47Å; F96-Y146 HydrophobicContact CE1-CD1 3.47Å; F96-Y146 VanDerWaalsContact CE1-CD1 3.47Å; F96-Y146 HydrophobicContact CE1-CD2 4.47Å; F96-Y146 HydrophobicContact CE1-CE1 4.1Å; F96-Y146 AromaticContact CE1-CG 3.64Å; F96-Y146 HydrophobicContact CE1-CG 3.64Å; F96-V398 HydrophobicContact CD2-CG1 4.09Å; F96-V398 HydrophobicContact CE2-CG1 4.24Å; F96-L401 HydrophobicContact CB-CB 4.23Å; F96-L401 HydrophobicContact CB-CD1 3.8Å; F96-L401 HydrophobicContact CD1-CB 3.58Å; F96-L401 HydrophobicContact CD2-CB 4.28Å; F96-L401 HydrophobicContact CE1-CB 3.95Å; F96-L401 WeakPolarHBondContact CE1-O 3.2Å; F96-L401 HydrophobicContact CG-CB 3.77Å; F96-L401 HydrophobicContact CG-CD1 4.28Å; F96-L401 HydrophobicContact CZ-CB 4.46Å; F96-G402 VanDerWaalsContact CZ-CA 3.42Å
97	G	90.6	Very high	90.9	Very high	66 Å²	66	73.8 Å²	73.8	68%	0.68	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	30.8	-173.8	0	0	0	0	0	113.8	A93 S94	A93-G97 PolarHBondContact O-N 2.95Å; S94-G97 PolarHBondContact O-N 3.49Å
98	R	89.9	Confident	90.3	Very high	146 Å²	146	78.6 Å²	78.6	55%	0.551	38%	0.382	S	S	*	.			trans	-123.2	152.5	-177.3	-62.9	-60.7	-176.4	170.7	-0.2	112.3	A93 F96 V397 V398 L401	A93-R98 CarbonylContact C-O 3.51Å; A93-R98 VanDerWaalsContact C-O 3.31Å; A93-R98 WeakPolarHBondContact CB-O 3.27Å; A93-R98 PolarHBondContact O-N 2.99Å; A93-R98 VanDerWaalsContact O-N 3.07Å; F96-R98 VanDerWaalsContact C-N 3.3Å; F96-R98 HydrophobicContact CB-CG 4.33Å; F96-R98 PolarHBondContact O-N 2.98Å; R98-V397 HydrophobicContact CG-CG1 4.35Å; R98-V398 HydrophobicContact CB-CG2 4.26Å; R98-L401 HydrophobicContact CG-CD1 3.79Å
99	I	89.9	Confident	89.8	Confident	127 Å²	127	79.1 Å²	79.1	65%	0.651	40%	0.396	S	S	*	.			trans	-96	131.9	169.3	-58.5	176.1	0	0	0	107.9	R105	I99-R105 HydrophobicContact CG2-CB 4.04Å; I99-R105 HydrophobicContact CG2-CG 4.44Å
100	P	88.9	Confident	89.3	Confident	12 Å²	12	81.6 Å²	81.6	8%	0.078	41%	0.412	C	S	.	.			trans	-55.1	139	174.3	-25.9	34.9	0	0	0	112.5	A93 R105	A93-P100 HydrophobicContact CB-CG 3.66Å; P100-R105 WeakPolarHBondContact O-CD 3.47Å
101	T	86.8	Confident	89	Confident	83 Å²	83	80 Å²	80	51%	0.509	41%	0.41	S	S	.	.			trans	-87	-5.3	-174.9	54	0	0	0	0	114	R105	T101-R105 PolarHBondContact O-NH1 2.92Å
102	N	87.2	Confident	89	Confident	42 Å²	42	82.5 Å²	82.5	23%	0.225	42%	0.424	C	S	.	.	S	Bend	trans	-68.2	165.1	175.2	64.9	42.1	0	0	0	112.5	L104 R105 R106 I108	N102-L104 PolarHBondContact O-N 3.08Å; N102-L104 PolarHBondContact OD1-N 2.76Å; N102-R105 PolarHBondContact O-N 3.08Å; N102-R105 PolarHBondContact O-NH1 3.45Å; N102-R105 PolarHBondContact OD1-N 3.46Å; N102-R106 PolarHBondContact ND2-O 3.22Å; N102-R106 PolarHBondContact OD1-N 3.32Å; N102-R106 PolarHBondContact OD1-O 3.02Å; N102-I108 HydrophobicContact CB-CD1 4.09Å; N102-I108 WeakPolarHBondContact ND2-CD1 3.06Å
103	F	89.1	Confident	89	Confident	195 Å²	195	78.3 Å²	78.3	86%	0.855	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.1	-176.1	-179.4	-101	0	0	0	113.6
104	L	92.1	Very high	89.1	Confident	107 Å²	107	78.7 Å²	78.7	56%	0.56	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.3	-177.2	-61.7	178.3	0	0	0	114.2	N102 R106 I108	N102-L104 PolarHBondContact O-N 3.08Å; N102-L104 PolarHBondContact OD1-N 2.76Å; L104-R106 PolarHBondContact O-N 3.45Å; L104-I108 HydrophobicContact CB-CD1 4.18Å; L104-I108 HydrophobicContact CD1-CD1 3.81Å; L104-I108 HydrophobicContact CD1-CG1 4.31Å; L104-I108 HydrophobicContact CG-CD1 4.16Å
105	R	89.5	Confident	89.2	Confident	147 Å²	147	75.1 Å²	75.1	56%	0.555	39%	0.387	S	S	*	.	S	Bend	trans	53.4	35.7	-174.4	-55.1	-63.2	-173.8	-124.6	7.5	113	I99 P100 T101 N102	I99-R105 HydrophobicContact CG2-CB 4.04Å; I99-R105 HydrophobicContact CG2-CG 4.44Å; P100-R105 WeakPolarHBondContact O-CD 3.47Å; T101-R105 PolarHBondContact O-NH1 2.92Å; N102-R105 PolarHBondContact O-N 3.08Å; N102-R105 PolarHBondContact O-NH1 3.45Å; N102-R105 PolarHBondContact OD1-N 3.46Å
106	R	88.2	Confident	89.3	Confident	183 Å²	183	77.1 Å²	77.1	69%	0.691	40%	0.396	S	S	*	.	S	Bend	trans	-138.2	156.9	-178.4	-70.5	-179.6	-176.4	-174.3	1	110.4	N102 L104 I108	N102-R106 PolarHBondContact ND2-O 3.22Å; N102-R106 PolarHBondContact OD1-N 3.32Å; N102-R106 PolarHBondContact OD1-O 3.02Å; L104-R106 PolarHBondContact O-N 3.45Å; R106-I108 PolarHBondContact O-N 3.49Å; R106-I108 VanDerWaalsContact O-N 3.15Å
107	E	84.9	Confident	89.4	Confident	90 Å²	90	76.1 Å²	76.1	42%	0.421	39%	0.392	S	S	.	.			trans	-63.3	114.3	172.4	-62.7	84.2	172.4	0	0	109.8	A93	A93-E107 VanDerWaalsContact CB-OE1 3.29Å; A93-E107 WeakPolarHBondContact CB-OE1 3.1Å; A93-E107 PolarHBondContact N-OE1 2.94Å
108	I	85.4	Confident	89.7	Confident	104 Å²	104	73 Å²	73	53%	0.533	36%	0.361	S	S	.	.			trans	-108.4	128.2	178.6	-60.7	173.6	0	0	0	108.3	N102 L104 R106	N102-I108 HydrophobicContact CB-CD1 4.09Å; N102-I108 WeakPolarHBondContact ND2-CD1 3.06Å; L104-I108 HydrophobicContact CB-CD1 4.18Å; L104-I108 HydrophobicContact CD1-CD1 3.81Å; L104-I108 HydrophobicContact CD1-CG1 4.31Å; L104-I108 HydrophobicContact CG-CD1 4.16Å; R106-I108 PolarHBondContact O-N 3.49Å; R106-I108 VanDerWaalsContact O-N 3.15Å
109	G	84.8	Confident	90	Very high	48 Å²	48	68.9 Å²	68.9	50%	0.495	35%	0.345	S	S	.	.	S	Bend	trans	69.9	-161	177	0	0	0	0	0	113.6	R90	R90-G109 PolarHBondContact NH1-O 3.44Å; R90-G109 PolarHBondContact NH2-O 3Å
110	V	86.4	Confident	90.3	Very high	57 Å²	57	63.4 Å²	63.4	35%	0.345	32%	0.317	S	S	.	.			trans	-129.1	131.3	175.8	-166	0	0	0	0	107	E114 I115	V110-E114 HydrophobicContact CG1-CB 3.57Å; V110-I115 HydrophobicContact CB-CD1 4.4Å; V110-I115 HydrophobicContact CB-CG1 4.16Å; V110-I115 HydrophobicContact CG1-CD1 4.4Å; V110-I115 HydrophobicContact CG1-CG1 3.64Å
111	T	88.1	Confident	90.8	Very high	39 Å²	39	62.8 Å²	62.8	24%	0.239	31%	0.313	C	S	.	.			trans	-78.3	158.9	178.8	60.4	0	0	0	0	111.4	A113 E114 I115	T111-A113 VanDerWaalsContact C-N 3.26Å; T111-A113 PolarHBondContact O-N 3.23Å; T111-E114 PolarHBondContact N-OE2 2.99Å; T111-E114 PolarHBondContact O-N 2.58Å; T111-E114 VanDerWaalsContact O-N 3.16Å; T111-E114 WeakPolarHBondContact OG1-CB 3.39Å; T111-E114 WeakPolarHBondContact OG1-CG 3.34Å; T111-E114 PolarHBondContact OG1-N 3.19Å; T111-E114 PolarHBondContact OG1-OE2 2.91Å; T111-I115 WeakPolarHBondContact O-CG1 3.48Å; T111-I115 PolarHBondContact O-N 2.66Å
112	D	89.4	Confident	91.2	Very high	65 Å²	65	60.2 Å²	60.2	35%	0.348	30%	0.296	S	S	.	.	H	α-helix	trans	-56.6	-42.8	176.2	-68.6	-4.8	0	0	0	111.9	E114 I115 L116 L435	D112-E114 PolarHBondContact O-N 3.12Å; D112-I115 PolarHBondContact O-N 2.92Å; D112-L116 WeakPolarHBondContact O-CB 3.09Å; D112-L116 WeakPolarHBondContact O-CG 3.33Å; D112-L116 PolarHBondContact O-N 3.47Å; D112-L435 HydrophobicContact CB-CD1 4.15Å; D112-L435 HydrophobicContact CB-CD2 3.91Å
113	A	90.1	Very high	91.7	Very high	16 Å²	16	59.5 Å²	59.5	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-48.6	176.9	0	0	0	0	0	111.1	T111 I115 L116 T117	T111-A113 VanDerWaalsContact C-N 3.26Å; T111-A113 PolarHBondContact O-N 3.23Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.42Å; A113-L116 PolarHBondContact O-N 3.23Å; A113-T117 PolarHBondContact O-N 2.92Å; A113-T117 PolarHBondContact O-OG1 2.64Å
114	E	92.7	Very high	92	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-40.6	177.6	-75.6	170.8	125.4	0	0	112.9	Y89 R90 N91 V110 T111 D112 G118	Y89-E114 HydrophobicContact CD1-CB 4.33Å; Y89-E114 HydrophobicContact CD1-CG 4.12Å; Y89-E114 HydrophobicContact CE1-CG 4.48Å; Y89-E114 WeakPolarHBondContact O-CB 3.28Å; R90-E114 WeakPolarHBondContact CA-OE1 3.4Å; R90-E114 IonicContact NH1-OE1 3.52Å; R90-E114 PolarHBondContact NH1-OE1 3.25Å; R90-E114 IonicContact NH1-OE2 3.5Å; R90-E114 PolarHBondContact NH1-OE2 2.89Å; N91-E114 HydrophobicContact CB-CG 4.09Å; N91-E114 PolarHBondContact N-OE1 3.43Å; V110-E114 HydrophobicContact CG1-CB 3.57Å; T111-E114 PolarHBondContact N-OE2 2.99Å; T111-E114 PolarHBondContact O-N 2.58Å; T111-E114 VanDerWaalsContact O-N 3.16Å; T111-E114 WeakPolarHBondContact OG1-CB 3.39Å; T111-E114 WeakPolarHBondContact OG1-CG 3.34Å; T111-E114 PolarHBondContact OG1-N 3.19Å; T111-E114 PolarHBondContact OG1-OE2 2.91Å; D112-E114 PolarHBondContact O-N 3.12Å; E114-G118 PolarHBondContact O-N 3.3Å
115	I	94	Very high	92.3	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-46.1	176.7	-65.2	171	0	0	0	110.5	V110 T111 D112 A113 G118 R119 I430 R432 L435	V110-I115 HydrophobicContact CB-CD1 4.4Å; V110-I115 HydrophobicContact CB-CG1 4.16Å; V110-I115 HydrophobicContact CG1-CD1 4.4Å; V110-I115 HydrophobicContact CG1-CG1 3.64Å; T111-I115 WeakPolarHBondContact O-CG1 3.48Å; T111-I115 PolarHBondContact O-N 2.66Å; D112-I115 PolarHBondContact O-N 2.92Å; A113-I115 VanDerWaalsContact C-N 3.33Å; A113-I115 PolarHBondContact O-N 3.42Å; I115-G118 PolarHBondContact O-N 2.97Å; I115-R119 WeakPolarHBondContact O-CG 3.49Å; I115-R119 PolarHBondContact O-N 3.47Å; I115-I430 HydrophobicContact CD1-CG2 3.8Å; I115-R432 HydrophobicContact CG2-CB 3.83Å; I115-R432 HydrophobicContact CG2-CG 3.67Å; I115-L435 HydrophobicContact CB-CD2 3.79Å; I115-L435 HydrophobicContact CD1-CD2 3.94Å; I115-L435 HydrophobicContact CG1-CD2 4.45Å; I115-L435 HydrophobicContact CG2-CD2 3.79Å
116	L	94.8	Very high	92.5	Very high	49 Å²	49	42.3 Å²	42.3	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-43.3	-179.3	-69.1	173.4	0	0	0	111.7	D112 A113 R119 L120 L435 A439	D112-L116 WeakPolarHBondContact O-CB 3.09Å; D112-L116 WeakPolarHBondContact O-CG 3.33Å; D112-L116 PolarHBondContact O-N 3.47Å; A113-L116 PolarHBondContact O-N 3.23Å; L116-R119 WeakPolarHBondContact O-CB 3.32Å; L116-R119 PolarHBondContact O-N 3.43Å; L116-L120 PolarHBondContact O-N 3.2Å; L116-L435 HydrophobicContact CD2-CG 4.33Å; L116-L435 HydrophobicContact CG-CD2 4.45Å; L116-A439 HydrophobicContact CD1-CB 3.77Å; L116-A439 HydrophobicContact CD2-CB 3.65Å; L116-A439 HydrophobicContact CG-CB 4.38Å
117	T	95.6	Very high	92.6	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-42.8	174.1	-50.7	0	0	0	0	111	Y89 A113 R119 L120 I121 E153	Y89-T117 HydrophobicContact CD1-CG2 3.89Å; Y89-T117 HydrophobicContact CD2-CG2 3.69Å; Y89-T117 HydrophobicContact CE1-CG2 4.14Å; Y89-T117 HydrophobicContact CE2-CG2 3.99Å; Y89-T117 HydrophobicContact CG-CG2 3.65Å; A113-T117 PolarHBondContact O-N 2.92Å; A113-T117 PolarHBondContact O-OG1 2.64Å; T117-R119 VanDerWaalsContact C-N 3.3Å; T117-R119 PolarHBondContact O-N 3.38Å; T117-L120 WeakPolarHBondContact O-CB 3.34Å; T117-L120 PolarHBondContact O-N 2.96Å; T117-I121 HydrophobicContact CG2-CD1 4.07Å; T117-I121 WeakPolarHBondContact O-CG1 3.4Å; T117-I121 PolarHBondContact O-N 3.25Å; T117-E153 HydrophobicContact CG2-CB 4.2Å; T117-E153 HydrophobicContact CG2-CG 3.76Å; T117-E153 PolarHBondContact OG1-OE1 3.37Å
118	G	96.2	Very high	93	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-40.6	174.3	0	0	0	0	0	112.7	E114 I115 I121 D122	E114-G118 PolarHBondContact O-N 3.3Å; I115-G118 PolarHBondContact O-N 2.97Å; G118-I121 PolarHBondContact O-N 3.08Å; G118-D122 WeakPolarHBondContact O-CB 3.37Å; G118-D122 PolarHBondContact O-N 3.43Å
119	R	96.1	Very high	93.3	Very high	58 Å²	58	25.6 Å²	25.6	22%	0.219	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-41.6	173.9	-73	-179.6	66.9	74.3	5.1	112.5	I115 L116 T117 I121 D122 R123 R432	I115-R119 WeakPolarHBondContact O-CG 3.49Å; I115-R119 PolarHBondContact O-N 3.47Å; L116-R119 WeakPolarHBondContact O-CB 3.32Å; L116-R119 PolarHBondContact O-N 3.43Å; T117-R119 VanDerWaalsContact C-N 3.3Å; T117-R119 PolarHBondContact O-N 3.38Å; R119-I121 VanDerWaalsContact C-N 3.3Å; R119-I121 PolarHBondContact O-N 2.88Å; R119-D122 PolarHBondContact O-N 3.1Å; R119-R123 WeakPolarHBondContact O-CB 3.44Å; R119-R123 WeakPolarHBondContact O-CD 3.45Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.21Å; R119-R432 WeakPolarHBondContact CD-O 3.4Å; R119-R432 PolarHBondContact NE-O 3.33Å; R119-R432 PolarHBondContact NH1-O 2.85Å
120	L	96.9	Very high	93	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-43.6	177.6	-174.7	149.7	0	0	0	110.7	L116 T117 S124 V157 V204 M215 E217	L116-L120 PolarHBondContact O-N 3.2Å; T117-L120 WeakPolarHBondContact O-CB 3.34Å; T117-L120 PolarHBondContact O-N 2.96Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.77Å; L120-S124 VanDerWaalsContact O-N 3.13Å; L120-S124 PolarHBondContact O-OG 3.04Å; L120-V157 HydrophobicContact CD2-CG2 3.38Å; L120-V204 HydrophobicContact CD1-CB 4.42Å; L120-V204 HydrophobicContact CD1-CG1 4.21Å; L120-V204 HydrophobicContact CD1-CG2 4.48Å; L120-V204 HydrophobicContact CD2-CG1 4.38Å; L120-M215 HydrophobicContact CD1-CE 4.39Å; L120-M215 HydrophobicContact CD2-CE 4.04Å; L120-M215 HydrophobicContact CG-CE 3.75Å; L120-E217 HydrophobicContact CD1-CB 4.43Å
121	I	98	Very high	92.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-46.9	175.5	-61.2	160.8	0	0	0	110.8	V87 Y89 T117 G118 R119 R123 S124 L125 C141 V157 A160	V87-I121 HydrophobicContact CG1-CB 3.84Å; V87-I121 HydrophobicContact CG1-CG2 3.63Å; Y89-I121 HydrophobicContact CD2-CD1 4.01Å; Y89-I121 HydrophobicContact CG-CD1 4.49Å; T117-I121 HydrophobicContact CG2-CD1 4.07Å; T117-I121 WeakPolarHBondContact O-CG1 3.4Å; T117-I121 PolarHBondContact O-N 3.25Å; G118-I121 PolarHBondContact O-N 3.08Å; R119-I121 VanDerWaalsContact C-N 3.3Å; R119-I121 PolarHBondContact O-N 2.88Å; I121-R123 PolarHBondContact O-N 3.3Å; I121-S124 WeakPolarHBondContact O-CB 3.26Å; I121-S124 PolarHBondContact O-N 2.63Å; I121-L125 HydrophobicContact CG2-CD1 3.66Å; I121-L125 HydrophobicContact CG2-CG 4.4Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.21Å; I121-C141 HydrophobicContact CD1-CB 4.28Å; I121-V157 HydrophobicContact CB-CG2 4.48Å; I121-V157 HydrophobicContact CG1-CG2 3.79Å; I121-A160 HydrophobicContact CG2-CB 4Å
122	D	96.7	Very high	91.6	Very high	29 Å²	29	29 Å²	29	16%	0.155	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-51.6	178	-174.3	84.9	0	0	0	112.5	L85 V87 G118 R119 S124 L125 R126	L85-D122 WeakPolarHBondContact CD2-OD1 3.2Å; V87-D122 HydrophobicContact CB-CB 4.08Å; V87-D122 HydrophobicContact CG2-CB 3.79Å; G118-D122 WeakPolarHBondContact O-CB 3.37Å; G118-D122 PolarHBondContact O-N 3.43Å; R119-D122 PolarHBondContact O-N 3.1Å; D122-S124 PolarHBondContact O-N 2.91Å; D122-L125 PolarHBondContact O-N 3.27Å; D122-R126 VanDerWaalsContact CG-NH2 3.3Å; D122-R126 VanDerWaalsContact O-CB 3.31Å; D122-R126 WeakPolarHBondContact O-CB 3.47Å; D122-R126 PolarHBondContact O-N 3.23Å; D122-R126 IonicContact OD1-CZ 3.16Å; D122-R126 IonicContact OD1-NE 3.42Å; D122-R126 IonicContact OD1-NH2 3.53Å; D122-R126 PolarHBondContact OD1-NH2 3.03Å; D122-R126 IonicContact OD2-CZ 2.85Å; D122-R126 IonicContact OD2-NE 2.65Å; D122-R126 PolarHBondContact OD2-NE 3Å; D122-R126 IonicContact OD2-NH2 3.83Å; D122-R126 PolarHBondContact OD2-NH2 3.42Å; D122-R126 VanDerWaalsContact OD2-NH2 3.1Å
123	R	95.9	Very high	90.8	Very high	27 Å²	27	26.4 Å²	26.4	10%	0.102	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-35.6	178.9	-69.9	166.7	64.1	-142.5	-17	112.2	R119 I121 L125 M215 V216 E217 Q538 L539 D540	R119-R123 WeakPolarHBondContact O-CB 3.44Å; R119-R123 WeakPolarHBondContact O-CD 3.45Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.21Å; I121-R123 PolarHBondContact O-N 3.3Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 2.98Å; R123-M215 HydrophobicContact CB-CG 3.67Å; R123-M215 PolarHBondContact NH2-SD 2.9Å; R123-V216 PolarHBondContact NH2-O 3.35Å; R123-E217 IonicContact CZ-OE2 2.71Å; R123-E217 IonicContact NH1-OE2 2.91Å; R123-E217 PolarHBondContact NH1-OE2 3.07Å; R123-Q538 VanDerWaalsContact CZ-CG 3.5Å; R123-L539 PolarHBondContact NH2-O 3.48Å; R123-D540 WeakPolarHBondContact CB-OD1 3.4Å; R123-D540 WeakPolarHBondContact CG-OD1 3.44Å; R123-D540 IonicContact CZ-OD1 3.47Å; R123-D540 VanDerWaalsContact CZ-OD1 3.25Å; R123-D540 IonicContact CZ-OD2 2.71Å; R123-D540 IonicContact NE-OD1 2.58Å; R123-D540 PolarHBondContact NE-OD1 3.15Å; R123-D540 IonicContact NE-OD2 3.94Å; R123-D540 PolarHBondContact NE-OD2 3.4Å; R123-D540 IonicContact NH2-OD1 2.89Å; R123-D540 PolarHBondContact NH2-OD1 3.17Å; R123-D540 IonicContact NH2-OD2 3.96Å; R123-D540 PolarHBondContact NH2-OD2 3.27Å
124	S	97.3	Very high	90	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.3	-26.4	177.6	-58.1	0	0	0	0	113.8	L120 I121 D122 T206 M215	L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.77Å; L120-S124 VanDerWaalsContact O-N 3.13Å; L120-S124 PolarHBondContact O-OG 3.04Å; I121-S124 WeakPolarHBondContact O-CB 3.26Å; I121-S124 PolarHBondContact O-N 2.63Å; D122-S124 PolarHBondContact O-N 2.91Å; S124-T206 WeakPolarHBondContact OG-CG2 3.33Å; S124-M215 WeakPolarHBondContact OG-CE 3.17Å
125	L	96.5	Very high	89.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-107.1	-30.1	-170.7	-60	174	0	0	0	113.3	L85 I121 D122 R123 C127 C128 F129 V139 A160 L164 W171 V175	L85-L125 HydrophobicContact CD2-CB 4.48Å; I121-L125 HydrophobicContact CG2-CD1 3.66Å; I121-L125 HydrophobicContact CG2-CG 4.4Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.21Å; D122-L125 PolarHBondContact O-N 3.27Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 2.98Å; L125-C127 PolarHBondContact O-N 3.31Å; L125-C128 PolarHBondContact O-N 2.97Å; L125-F129 WeakPolarHBondContact O-CD2 3.49Å; L125-V139 HydrophobicContact CD1-CG2 4.48Å; L125-A160 HydrophobicContact CD1-CB 3.8Å; L125-L164 HydrophobicContact CB-CD1 4.3Å; L125-L164 HydrophobicContact CD1-CD1 3.94Å; L125-L164 HydrophobicContact CD2-CD1 4.11Å; L125-L164 HydrophobicContact CG-CD1 4.33Å; L125-W171 HydrophobicContact CD2-CH2 4.16Å; L125-W171 HydrophobicContact CD2-CZ2 3.66Å; L125-W171 PolarHBondContact O-NE1 3.25Å; L125-W171 VanDerWaalsContact O-NE1 3.07Å; L125-V175 HydrophobicContact CD2-CG2 3.71Å
126	R	94.1	Very high	89.3	Confident	87 Å²	87	29.1 Å²	29.1	33%	0.328	14%	0.136	S	C	.	.	H	α-helix	trans	-60.8	-42	-167.5	-176.2	173.7	-69	-82.5	-1.2	113.7	M83 L85 D122 C128 F129	M83-R126 PolarHBondContact O-NH1 3.24Å; L85-R126 HydrophobicContact CD2-CB 4.11Å; L85-R126 PolarHBondContact O-NH2 3.11Å; D122-R126 VanDerWaalsContact CG-NH2 3.3Å; D122-R126 VanDerWaalsContact O-CB 3.31Å; D122-R126 WeakPolarHBondContact O-CB 3.47Å; D122-R126 PolarHBondContact O-N 3.23Å; D122-R126 IonicContact OD1-CZ 3.16Å; D122-R126 IonicContact OD1-NE 3.42Å; D122-R126 IonicContact OD1-NH2 3.53Å; D122-R126 PolarHBondContact OD1-NH2 3.03Å; D122-R126 IonicContact OD2-CZ 2.85Å; D122-R126 IonicContact OD2-NE 2.65Å; D122-R126 PolarHBondContact OD2-NE 3Å; D122-R126 IonicContact OD2-NH2 3.83Å; D122-R126 PolarHBondContact OD2-NH2 3.42Å; D122-R126 VanDerWaalsContact OD2-NH2 3.1Å; R126-C128 PolarHBondContact O-N 2.88Å; R126-F129 PolarHBondContact O-N 2.8Å
127	C	91.6	Very high	89.3	Confident	14 Å²	14	27 Å²	27	10%	0.095	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.3	-177.4	71.7	0	0	0	0	113.6	L125 F129 V214 T541 L544	L125-C127 PolarHBondContact O-N 3.31Å; C127-F129 VanDerWaalsContact C-N 3.32Å; C127-V214 WeakPolarHBondContact SG-CG1 3.41Å; C127-T541 HydrophobicContact CB-CG2 4.42Å; C127-T541 WeakPolarHBondContact CB-O 3.43Å; C127-L544 WeakPolarHBondContact O-CD1 3.5Å
128	C	93.2	Very high	89.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.7	179.7	-71.6	0	0	0	0	112.7	L125 R126 W171 Q172	L125-C128 PolarHBondContact O-N 2.97Å; R126-C128 PolarHBondContact O-N 2.88Å; C128-W171 HydrophobicContact CB-CD2 4.49Å; C128-W171 HydrophobicContact CB-CZ2 4.08Å; C128-Q172 PolarHBondContact O-N 3.38Å
129	F	90.7	Very high	89.4	Confident	13 Å²	13	31.2 Å²	31.2	6%	0.057	14%	0.143	C	C	.	.	S	Bend	trans	-81.3	125.9	166.4	-71.5	-86.6	0	0	0	109.2	M83 L85 L125 R126 C127 L164 I169 W171	M83-F129 HydrophobicContact CE-CB 4.45Å; M83-F129 HydrophobicContact CE-CD1 3.31Å; M83-F129 HydrophobicContact CE-CD2 4.15Å; M83-F129 HydrophobicContact CE-CE1 3.39Å; M83-F129 HydrophobicContact CE-CE2 4.22Å; M83-F129 HydrophobicContact CE-CG 3.7Å; M83-F129 HydrophobicContact CE-CZ 3.86Å; M83-F129 HydrophobicContact CG-CB 4.02Å; M83-F129 HydrophobicContact CG-CG 4.11Å; M83-F129 HydrophobicContact SD-CB 4.22Å; M83-F129 HydrophobicContact SD-CD1 3.97Å; M83-F129 HydrophobicContact SD-CG 4.11Å; L85-F129 HydrophobicContact CD1-CE2 4.11Å; L85-F129 HydrophobicContact CD1-CZ 4.16Å; L85-F129 HydrophobicContact CD2-CD2 4.33Å; L85-F129 HydrophobicContact CD2-CE2 3.83Å; L85-F129 HydrophobicContact CG-CE2 4.49Å; L125-F129 WeakPolarHBondContact O-CD2 3.49Å; R126-F129 PolarHBondContact O-N 2.8Å; C127-F129 VanDerWaalsContact C-N 3.32Å; F129-L164 HydrophobicContact CE2-CD1 4.23Å; F129-L164 HydrophobicContact CZ-CD1 3.94Å; F129-L164 HydrophobicContact CZ-CD2 4.03Å; F129-I169 HydrophobicContact CE1-CG2 3.95Å; F129-W171 HydrophobicContact CD1-CB 4.38Å; F129-W171 AromaticContact CD1-CD1 3.8Å; F129-W171 HydrophobicContact CD1-CG 4.48Å; F129-W171 AromaticContact CD2-CD1 3.51Å; F129-W171 AromaticContact CD2-NE1 3.84Å; F129-W171 HydrophobicContact CE1-CB 4.15Å; F129-W171 AromaticContact CE1-CD1 3.74Å; F129-W171 HydrophobicContact CE1-CG 4.22Å; F129-W171 AromaticContact CE2-CD1 3.45Å; F129-W171 VanDerWaalsContact CE2-CD1 3.45Å; F129-W171 HydrophobicContact CE2-CG 4.45Å; F129-W171 AromaticContact CE2-NE1 3.65Å; F129-W171 AromaticContact CG-CD1 3.7Å; F129-W171 AromaticContact CZ-CD1 3.58Å; F129-W171 HydrophobicContact CZ-CG 4.22Å
130	S	79.5	Confident	89.5	Confident	9 Å²	9	30.9 Å²	30.9	6%	0.063	15%	0.146	C	C	.	.			trans	-61.2	149.5	174.5	57.1	0	0	0	0	110.5	E132 C133 L170	S130-E132 PolarHBondContact O-N 3.48Å; S130-C133 WeakPolarHBondContact O-CB 3.28Å; S130-C133 PolarHBondContact O-N 3.01Å; S130-L170 WeakPolarHBondContact OG-CD2 3.29Å
131	K	74.8	Confident	89.6	Confident	137 Å²	137	30.3 Å²	30.3	60%	0.596	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.2	174.6	-66	-174.7	178.4	-178.4	0	113.3	C133 Y134	K131-C133 PolarHBondContact O-N 3.44Å; K131-Y134 WeakPolarHBondContact O-CE2 3.42Å; K131-Y134 PolarHBondContact O-OH 3.29Å
132	E	70.3	Confident	89.5	Confident	69 Å²	69	30.7 Å²	30.7	32%	0.322	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.4	177.1	-60.6	170.6	-158.3	0	0	114	S130 Y134 S260	S130-E132 PolarHBondContact O-N 3.48Å; E132-Y134 PolarHBondContact O-N 2.99Å; E132-S260 WeakPolarHBondContact OE2-CB 3.29Å; E132-S260 PolarHBondContact OE2-OG 2.88Å
133	C	71.2	Confident	89.5	Confident	10 Å²	10	29.4 Å²	29.4	7%	0.068	14%	0.138	C	C	.	.			trans	-91.9	94.2	-177.7	-163.2	0	0	0	0	110.5	M83 S130 K131	M83-C133 HydrophobicContact SD-CB 4.24Å; S130-C133 WeakPolarHBondContact O-CB 3.28Å; S130-C133 PolarHBondContact O-N 3.01Å; K131-C133 PolarHBondContact O-N 3.44Å
134	Y	74.1	Confident	89.4	Confident	29 Å²	29	31.2 Å²	31.2	11%	0.114	15%	0.149	C	C	.	.			trans	-101.4	15.4	175.2	-64.2	-73.9	0	0	0	113.1	S78 H80 K131 E132 C264 E325	S78-Y134 WeakPolarHBondContact CB-O 3.3Å; S78-Y134 PolarHBondContact N-O 3.14Å; S78-Y134 PolarHBondContact OG-O 3.02Å; H80-Y134 VanDerWaalsContact O-CD1 3.3Å; H80-Y134 WeakPolarHBondContact O-CD1 3.48Å; K131-Y134 WeakPolarHBondContact O-CE2 3.42Å; K131-Y134 PolarHBondContact O-OH 3.29Å; E132-Y134 PolarHBondContact O-N 2.99Å; Y134-C264 HydrophobicContact CD2-CB 4.2Å; Y134-C264 HydrophobicContact CE2-CB 3.96Å; Y134-E325 PolarHBondContact OH-OE1 2.89Å
135	S	82.3	Confident	89.4	Confident	18 Å²	18	33.5 Å²	33.5	13%	0.126	17%	0.165	C	C	.	.	S	Bend	trans	-84.9	134.5	-178.5	-60.6	0	0	0	0	111.2	K74 C137	K74-S135 WeakPolarHBondContact O-CB 3.12Å; K74-S135 PolarHBondContact O-OG 3.05Å; S135-C137 PolarHBondContact O-N 3.42Å
136	D	89.8	Confident	89.3	Confident	45 Å²	45	35 Å²	35	24%	0.241	17%	0.171	C	C	.	.			trans	-54.1	124.9	172.7	-63.8	-33.2	0	0	0	109.8	G73 K74 P84	G73-D136 CarbonylContact C-O 3.58Å; G73-D136 VanDerWaalsContact CA-O 3.28Å; G73-D136 WeakPolarHBondContact CA-O 3.46Å; K74-D136 HydrophobicContact CB-CB 4.48Å; K74-D136 HydrophobicContact CD-CB 4Å; K74-D136 WeakPolarHBondContact CD-OD2 3.44Å; K74-D136 WeakPolarHBondContact CE-OD2 3.37Å; K74-D136 HydrophobicContact CG-CB 4.18Å; K74-D136 PolarHBondContact N-O 3.27Å; K74-D136 IonicContact NZ-OD2 3.46Å; K74-D136 PolarHBondContact NZ-OD2 3.39Å; P84-D136 WeakPolarHBondContact CB-OD1 3.27Å; P84-D136 VanDerWaalsContact CG-OD1 3.3Å; P84-D136 WeakPolarHBondContact CG-OD1 3.47Å
137	C	93.8	Very high	89.2	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.9	176.5	-174.1	0	0	0	0	109.7	V72 M83 P84 L85 T86 S135	V72-C137 WeakPolarHBondContact O-CA 3.05Å; M83-C137 HydrophobicContact CE-CB 3.46Å; M83-C137 VanDerWaalsContact CE-CB 3.46Å; P84-C137 PolarHBondContact O-N 2.96Å; L85-C137 WeakPolarHBondContact CA-O 3.39Å; L85-C137 HydrophobicContact CD1-CB 4.07Å; T86-C137 PolarHBondContact N-O 2.82Å; S135-C137 PolarHBondContact O-N 3.42Å
138	Q	97	Very high	89.1	Confident	95 Å²	95	34 Å²	34	44%	0.444	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.6	174.4	-172.3	176.9	51.2	0	0	110.2	V71 V72 T86	V71-Q138 VanDerWaalsContact CA-O 3.32Å; V71-Q138 WeakPolarHBondContact CA-O 3.28Å; V72-Q138 PolarHBondContact N-O 2.95Å; V72-Q138 PolarHBondContact O-N 2.94Å; T86-Q138 CarbonylContact O-C 3.52Å; T86-Q138 WeakPolarHBondContact O-CA 3.34Å
139	V	98.2	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.6	171.2	-177.7	0	0	0	0	107.8	V69 V71 L85 T86 V87 D88 L125 A160	V69-V139 HydrophobicContact CG1-CG1 3.77Å; V71-V139 HydrophobicContact CG1-CB 4.36Å; V71-V139 HydrophobicContact CG1-CG1 4.11Å; V71-V139 HydrophobicContact CG1-CG2 3.94Å; L85-V139 HydrophobicContact CD1-CG2 3.89Å; T86-V139 PolarHBondContact O-N 3.15Å; V87-V139 WeakPolarHBondContact CA-O 3.44Å; V87-V139 HydrophobicContact CG1-CB 4.3Å; V87-V139 HydrophobicContact CG1-CG1 4.42Å; V87-V139 HydrophobicContact CG2-CB 4.09Å; V87-V139 HydrophobicContact CG2-CG2 4.38Å; D88-V139 PolarHBondContact N-O 2.9Å; L125-V139 HydrophobicContact CD1-CG2 4.48Å; V139-A160 HydrophobicContact CG1-CB 4Å
140	L	98.1	Very high	89.1	Confident	51 Å²	51	38.3 Å²	38.3	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.7	177.8	-175.5	76.6	0	0	0	109.4	V69 T70 D88 N142	V69-L140 WeakPolarHBondContact CA-O 3.49Å; T70-L140 PolarHBondContact N-O 3.08Å; T70-L140 PolarHBondContact O-N 3.38Å; D88-L140 HydrophobicContact CB-CD1 3.8Å; L140-N142 VanDerWaalsContact CD2-ND2 3.31Å; L140-N142 WeakPolarHBondContact CD2-ND2 3.27Å; L140-N142 WeakPolarHBondContact CG-ND2 3.48Å
141	C	97.9	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116	176.7	-58.8	0	0	0	0	109.3	V69 D88 Y89 R90 I121	V69-C141 VanDerWaalsContact CG1-SG 3.6Å; V69-C141 HydrophobicContact CG2-CB 4.13Å; D88-C141 PolarHBondContact O-N 3.06Å; Y89-C141 CarbonylContact C-O 3.59Å; Y89-C141 WeakPolarHBondContact CA-O 3.47Å; Y89-C141 HydrophobicContact CD2-CB 3.73Å; Y89-C141 HydrophobicContact CG-CB 4.48Å; R90-C141 PolarHBondContact N-O 3.31Å; I121-C141 HydrophobicContact CD1-CB 4.28Å
142	N	96.6	Very high	90.6	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	175.3	-67.2	-89.3	0	0	0	109.8	V67 M68 R92 L140 I144	V67-N142 WeakPolarHBondContact CA-O 3.44Å; M68-N142 PolarHBondContact N-O 3.33Å; M68-N142 PolarHBondContact O-N 3.27Å; R92-N142 PolarHBondContact NE-OD1 3.12Å; R92-N142 PolarHBondContact NH2-OD1 2.83Å; R92-N142 VanDerWaalsContact NH2-OD1 3.08Å; L140-N142 VanDerWaalsContact CD2-ND2 3.31Å; L140-N142 WeakPolarHBondContact CD2-ND2 3.27Å; L140-N142 WeakPolarHBondContact CG-ND2 3.48Å; N142-I144 HydrophobicContact CB-CD1 3.95Å; N142-I144 PolarHBondContact O-N 3.37Å
143	L	95.7	Very high	91.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.2	165.3	-173.2	64.1	0	0	0	108.7	T65 V67 R90 N91 A95 F96 S145 P152	T65-L143 HydrophobicContact CG2-CD1 4.22Å; V67-L143 HydrophobicContact CG1-CD1 3.7Å; R90-L143 PolarHBondContact O-N 3.18Å; N91-L143 WeakPolarHBondContact OD1-CD2 3.4Å; A95-L143 HydrophobicContact CB-CB 4.48Å; A95-L143 HydrophobicContact CB-CD2 4.35Å; A95-L143 HydrophobicContact CB-CG 3.96Å; A95-L143 WeakPolarHBondContact CB-O 3.35Å; F96-L143 HydrophobicContact CE1-CD2 3.73Å; F96-L143 HydrophobicContact CE2-CD2 4.37Å; F96-L143 HydrophobicContact CZ-CD2 3.48Å; F96-L143 VanDerWaalsContact CZ-CD2 3.48Å; L143-S145 WeakPolarHBondContact CD1-O 3.42Å; L143-P152 HydrophobicContact CD1-CB 3.77Å; L143-P152 HydrophobicContact CD1-CG 4.32Å
144	I	95.3	Very high	92.9	Very high	66 Å²	66	32.2 Å²	32.2	34%	0.338	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-38.2	-175.5	-57.8	-57.3	0	0	0	111.4	V66 M68 A95 N142	V66-I144 HydrophobicContact CG1-CB 4.35Å; V66-I144 PolarHBondContact O-N 2.79Å; M68-I144 HydrophobicContact CB-CD1 4.07Å; M68-I144 HydrophobicContact CB-CG1 3.7Å; M68-I144 HydrophobicContact CE-CD1 4.43Å; A95-I144 WeakPolarHBondContact CA-O 3.44Å; A95-I144 VanDerWaalsContact CB-C 3.47Å; A95-I144 WeakPolarHBondContact CB-O 3.27Å; N142-I144 HydrophobicContact CB-CD1 3.95Å; N142-I144 PolarHBondContact O-N 3.37Å
145	S	95.6	Very high	94	Very high	47 Å²	47	30.9 Å²	30.9	33%	0.329	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.5	177.1	-169.8	0	0	0	0	109.4	D64 T65 V66 L143	D64-S145 PolarHBondContact O-OG 2.99Å; T65-S145 CarbonylContact C-O 3.59Å; T65-S145 WeakPolarHBondContact CA-O 3.44Å; V66-S145 PolarHBondContact N-O 3.32Å; V66-S145 PolarHBondContact O-N 3.36Å; L143-S145 WeakPolarHBondContact CD1-O 3.42Å
146	Y	94.7	Very high	94.7	Very high	33 Å²	33	30 Å²	30	13%	0.129	17%	0.166	C	C	.	.			trans	-135.4	128.4	179.6	-177.1	-115.7	0	0	0	110.5	T65 A95 F96 G148 N150 L401	T65-Y146 HydrophobicContact CG2-CD2 4.17Å; A95-Y146 PolarHBondContact O-N 2.76Å; A95-Y146 VanDerWaalsContact O-N 3.12Å; F96-Y146 AromaticContact CD1-CD1 3.48Å; F96-Y146 HydrophobicContact CD1-CD1 3.48Å; F96-Y146 VanDerWaalsContact CD1-CD1 3.48Å; F96-Y146 HydrophobicContact CD1-CE1 4.33Å; F96-Y146 AromaticContact CD1-CG 3.88Å; F96-Y146 HydrophobicContact CD1-CG 3.88Å; F96-Y146 AromaticContact CE1-CD1 3.47Å; F96-Y146 HydrophobicContact CE1-CD1 3.47Å; F96-Y146 VanDerWaalsContact CE1-CD1 3.47Å; F96-Y146 HydrophobicContact CE1-CD2 4.47Å; F96-Y146 HydrophobicContact CE1-CE1 4.1Å; F96-Y146 AromaticContact CE1-CG 3.64Å; F96-Y146 HydrophobicContact CE1-CG 3.64Å; Y146-G148 VanDerWaalsContact CE1-CA 3.41Å; Y146-N150 VanDerWaalsContact CE2-O 3.3Å; Y146-N150 WeakPolarHBondContact CE2-O 3.42Å; Y146-L401 WeakPolarHBondContact CE1-O 3.37Å
147	D	93.4	Very high	95.1	Very high	42 Å²	42	27.9 Å²	27.9	23%	0.225	15%	0.154	C	C	.	.			trans	-93.1	-7	-176.7	64.4	12.8	0	0	0	114.2	D64 T65 I149 N150	D64-D147 HydrophobicContact CB-CB 3.87Å; D64-D147 PolarHBondContact N-OD2 2.85Å; T65-D147 PolarHBondContact N-OD2 2.83Å; T65-D147 PolarHBondContact OG1-N 3.35Å; T65-D147 PolarHBondContact OG1-OD1 3.08Å; T65-D147 PolarHBondContact OG1-OD2 2.94Å; D147-I149 PolarHBondContact O-N 2.71Å; D147-I149 PolarHBondContact OD1-N 2.92Å; D147-N150 PolarHBondContact OD1-N 3.47Å; D147-N150 PolarHBondContact OD2-ND2 3.28Å
148	G	89.5	Confident	95.4	Very high	38 Å²	38	27.7 Å²	27.7	39%	0.392	15%	0.153	S	C	.	.	S	Bend	trans	78.8	-3.2	-177.1	0	0	0	0	0	115	Y146	Y146-G148 VanDerWaalsContact CE1-CA 3.41Å
149	I	91.6	Very high	95.4	Very high	90 Å²	90	23.2 Å²	23.2	46%	0.462	13%	0.132	S	C	.	.	S	Bend	trans	-109.9	-48.6	-174.1	-60.2	174.3	0	0	0	110.3	D147 T192 K193	D147-I149 PolarHBondContact O-N 2.71Å; D147-I149 PolarHBondContact OD1-N 2.92Å; I149-T192 HydrophobicContact CG2-CG2 3.61Å; I149-T192 CarbonylContact O-C 3.42Å; I149-T192 WeakPolarHBondContact O-CA 3.28Å; I149-K193 PolarHBondContact O-N 3.37Å
150	N	92.3	Very high	95.4	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.064	13%	0.132	C	C	.	.	S	Bend	trans	-100.3	121.5	-170.1	-70.4	-54.2	0	0	0	110.6	R41 M62 T65 Y146 D147	R41-N150 PolarHBondContact NH1-OD1 3.34Å; R41-N150 VanDerWaalsContact NH1-OD1 3.1Å; M62-N150 HydrophobicContact CE-CB 3.55Å; M62-N150 HydrophobicContact CG-CB 4.33Å; M62-N150 PolarHBondContact O-ND2 2.83Å; T65-N150 PolarHBondContact OG1-O 2.85Å; Y146-N150 VanDerWaalsContact CE2-O 3.3Å; Y146-N150 WeakPolarHBondContact CE2-O 3.42Å; D147-N150 PolarHBondContact OD1-N 3.47Å; D147-N150 PolarHBondContact OD2-ND2 3.28Å
151	D	90.1	Very high	95.4	Very high	38 Å²	38	20.8 Å²	20.8	20%	0.203	12%	0.119	C	C	.	.			trans	-70.4	130.6	178.6	-174.3	-74.3	0	0	0	111.5	E153 R179	D151-E153 VanDerWaalsContact OD1-CB 3.24Å; D151-E153 WeakPolarHBondContact OD1-CB 3.3Å; D151-E153 VanDerWaalsContact OD1-CG 3.31Å; D151-E153 WeakPolarHBondContact OD1-CG 3.33Å; D151-E153 PolarHBondContact OD1-N 2.95Å; D151-R179 IonicContact OD1-CZ 2.63Å; D151-R179 IonicContact OD1-NH1 2.72Å; D151-R179 PolarHBondContact OD1-NH1 2.85Å; D151-R179 VanDerWaalsContact OD1-NH1 3.13Å; D151-R179 IonicContact OD2-NH1 2.76Å; D151-R179 PolarHBondContact OD2-NH1 3.34Å
152	P	94.3	Very high	95.5	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.078	12%	0.119	C	C	.	.	H	α-helix	trans	-81.9	-10	-173.5	33.1	-36.3	0	0	0	114.2	T65 V67 Y89 L143 L155 S156	T65-P152 HydrophobicContact CG2-CB 4.08Å; V67-P152 HydrophobicContact CG1-CB 4.04Å; Y89-P152 WeakPolarHBondContact OH-CG 3.38Å; L143-P152 HydrophobicContact CD1-CB 3.77Å; L143-P152 HydrophobicContact CD1-CG 4.32Å; P152-L155 PolarHBondContact O-N 3.34Å; P152-S156 VanDerWaalsContact O-CB 3.31Å; P152-S156 WeakPolarHBondContact O-CB 3.44Å; P152-S156 PolarHBondContact O-N 3.02Å; P152-S156 PolarHBondContact O-OG 3.48Å
153	E	94.6	Very high	95.5	Very high	40 Å²	40	20.3 Å²	20.3	19%	0.187	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-53.6	-171	-64.6	-165.9	140.4	0	0	111.6	T117 D151 L155 S156 V157 R179	T117-E153 HydrophobicContact CG2-CB 4.2Å; T117-E153 HydrophobicContact CG2-CG 3.76Å; T117-E153 PolarHBondContact OG1-OE1 3.37Å; D151-E153 VanDerWaalsContact OD1-CB 3.24Å; D151-E153 WeakPolarHBondContact OD1-CB 3.3Å; D151-E153 VanDerWaalsContact OD1-CG 3.31Å; D151-E153 WeakPolarHBondContact OD1-CG 3.33Å; D151-E153 PolarHBondContact OD1-N 2.95Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.45Å; E153-S156 WeakPolarHBondContact O-CB 3.19Å; E153-S156 PolarHBondContact O-N 3Å; E153-S156 VanDerWaalsContact O-N 3.14Å; E153-V157 PolarHBondContact O-N 3.48Å; E153-V157 VanDerWaalsContact O-N 3.13Å; E153-R179 IonicContact OE2-CZ 3.48Å; E153-R179 IonicContact OE2-NH2 3.3Å; E153-R179 PolarHBondContact OE2-NH2 3.31Å
154	V	95.9	Very high	95.6	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-40	178.6	172.7	0	0	0	0	111.4	S156 V157 N158 A177 R179 V204	V154-S156 PolarHBondContact O-N 2.88Å; V154-V157 PolarHBondContact O-N 2.65Å; V154-N158 PolarHBondContact O-N 2.75Å; V154-N158 PolarHBondContact O-ND2 2.78Å; V154-A177 HydrophobicContact CG1-CB 3.97Å; V154-A177 WeakPolarHBondContact CG1-O 3.44Å; V154-R179 HydrophobicContact CG2-CB 3.68Å; V154-V204 HydrophobicContact CG2-CG1 4.24Å; V154-V204 HydrophobicContact CG2-CG2 4.49Å
155	L	97.2	Very high	95.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-39.2	175.1	-177.4	64.2	0	0	0	111.1	M43 M62 T65 V67 P152 E153 N158 A159	M43-L155 HydrophobicContact CE-CD1 4.17Å; M43-L155 HydrophobicContact CG-CD1 3.75Å; M43-L155 HydrophobicContact SD-CD1 3.89Å; M62-L155 HydrophobicContact CB-CD1 4.38Å; M62-L155 HydrophobicContact CB-CD2 4.23Å; T65-L155 HydrophobicContact CG2-CD2 4.19Å; V67-L155 HydrophobicContact CG1-CD2 4.29Å; V67-L155 HydrophobicContact CG2-CD2 3.92Å; V67-L155 HydrophobicContact CG2-CG 3.71Å; P152-L155 PolarHBondContact O-N 3.34Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.45Å; L155-N158 PolarHBondContact O-N 2.86Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.19Å; L155-A159 PolarHBondContact O-N 3.38Å
156	S	97.9	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-40.1	178.7	-60.7	0	0	0	0	112.3	Y89 P152 E153 V154 A160	Y89-S156 VanDerWaalsContact CE2-OG 3.32Å; Y89-S156 WeakPolarHBondContact CE2-OG 3.45Å; P152-S156 VanDerWaalsContact O-CB 3.31Å; P152-S156 WeakPolarHBondContact O-CB 3.44Å; P152-S156 PolarHBondContact O-N 3.02Å; P152-S156 PolarHBondContact O-OG 3.48Å; E153-S156 WeakPolarHBondContact O-CB 3.19Å; E153-S156 PolarHBondContact O-N 3Å; E153-S156 VanDerWaalsContact O-N 3.14Å; V154-S156 PolarHBondContact O-N 2.88Å; S156-A160 VanDerWaalsContact O-CB 3.24Å; S156-A160 WeakPolarHBondContact O-CB 3.36Å; S156-A160 PolarHBondContact O-N 3.38Å
157	V	98.3	Very high	95.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.4	-47.6	175.4	-177.9	0	0	0	0	110.6	L120 I121 E153 V154 A159 A160 S161 V175 A177 T206	L120-V157 HydrophobicContact CD2-CG2 3.38Å; I121-V157 HydrophobicContact CB-CG2 4.48Å; I121-V157 HydrophobicContact CG1-CG2 3.79Å; E153-V157 PolarHBondContact O-N 3.48Å; E153-V157 VanDerWaalsContact O-N 3.13Å; V154-V157 PolarHBondContact O-N 2.65Å; V157-A159 PolarHBondContact O-N 3.29Å; V157-A160 PolarHBondContact O-N 2.76Å; V157-S161 WeakPolarHBondContact O-CB 3.44Å; V157-S161 PolarHBondContact O-N 2.72Å; V157-V175 HydrophobicContact CG1-CG2 4.49Å; V157-A177 HydrophobicContact CB-CB 3.69Å; V157-A177 HydrophobicContact CG1-CB 3.65Å; V157-A177 HydrophobicContact CG2-CB 4.29Å; V157-T206 HydrophobicContact CG1-CG2 4.08Å
158	N	98.4	Very high	95.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-41.3	-179.8	-69.5	-29.2	0	0	0	111.9	M43 V154 L155 S161 A162 A177 I242	M43-N158 HydrophobicContact SD-CB 4.05Å; V154-N158 PolarHBondContact O-N 2.75Å; V154-N158 PolarHBondContact O-ND2 2.78Å; L155-N158 PolarHBondContact O-N 2.86Å; N158-S161 WeakPolarHBondContact O-CB 3.4Å; N158-S161 PolarHBondContact O-N 3.48Å; N158-A162 WeakPolarHBondContact O-CB 3.42Å; N158-A162 PolarHBondContact O-N 2.63Å; N158-A177 PolarHBondContact ND2-O 3.33Å; N158-A177 PolarHBondContact OD1-N 2.94Å; N158-I242 HydrophobicContact CB-CG2 4.41Å
159	A	98.4	Very high	95.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.2	-37.5	174.4	0	0	0	0	0	112.5	L45 V58 V67 V69 L155 V157 A162 A163	L45-A159 HydrophobicContact CD2-CB 4.44Å; V58-A159 HydrophobicContact CG1-CB 4.3Å; V67-A159 HydrophobicContact CG2-CB 3.95Å; V69-A159 HydrophobicContact CB-CB 4.28Å; V69-A159 HydrophobicContact CG2-CB 3.59Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.19Å; L155-A159 PolarHBondContact O-N 3.38Å; V157-A159 PolarHBondContact O-N 3.29Å; A159-A162 PolarHBondContact O-N 2.87Å; A159-A163 WeakPolarHBondContact O-CB 3.31Å; A159-A163 PolarHBondContact O-N 3.23Å
160	A	98.5	Very high	95.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.4	-44.1	174.9	0	0	0	0	0	112.4	V69 I121 L125 V139 S156 V157 A162 A163 L164	V69-A160 HydrophobicContact CG1-CB 3.81Å; I121-A160 HydrophobicContact CG2-CB 4Å; L125-A160 HydrophobicContact CD1-CB 3.8Å; V139-A160 HydrophobicContact CG1-CB 4Å; S156-A160 VanDerWaalsContact O-CB 3.24Å; S156-A160 WeakPolarHBondContact O-CB 3.36Å; S156-A160 PolarHBondContact O-N 3.38Å; V157-A160 PolarHBondContact O-N 2.76Å; A160-A162 VanDerWaalsContact C-N 3.34Å; A160-A162 PolarHBondContact O-N 3.28Å; A160-A163 PolarHBondContact O-N 3.06Å; A160-L164 PolarHBondContact O-N 2.93Å
161	S	98.3	Very high	95.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-55.8	-48.8	172.4	176.2	0	0	0	0	111.1	V157 N158 A163 L164 A165 W171 V175	V157-S161 WeakPolarHBondContact O-CB 3.44Å; V157-S161 PolarHBondContact O-N 2.72Å; N158-S161 WeakPolarHBondContact O-CB 3.4Å; N158-S161 PolarHBondContact O-N 3.48Å; S161-A163 PolarHBondContact O-N 3.4Å; S161-L164 PolarHBondContact O-N 3.06Å; S161-A165 WeakPolarHBondContact O-CB 3.27Å; S161-A165 PolarHBondContact O-N 3.43Å; S161-W171 VanDerWaalsContact O-CZ3 3.25Å; S161-W171 WeakPolarHBondContact O-CZ3 3.39Å; S161-W171 WeakPolarHBondContact OG-CH2 3.32Å; S161-V175 VanDerWaalsContact CB-O 3.25Å; S161-V175 WeakPolarHBondContact CB-O 3.49Å; S161-V175 PolarHBondContact OG-N 3.48Å; S161-V175 PolarHBondContact OG-O 2.91Å
162	A	98.1	Very high	95.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-39.7	177.3	0	0	0	0	0	113.2	L45 V58 N158 A159 A160 A165 C166 I246 L249	L45-A162 HydrophobicContact CD1-CB 4.03Å; V58-A162 HydrophobicContact CB-CB 4.3Å; V58-A162 HydrophobicContact CG1-CB 4.01Å; V58-A162 HydrophobicContact CG2-CB 3.89Å; N158-A162 WeakPolarHBondContact O-CB 3.42Å; N158-A162 PolarHBondContact O-N 2.63Å; A159-A162 PolarHBondContact O-N 2.87Å; A160-A162 VanDerWaalsContact C-N 3.34Å; A160-A162 PolarHBondContact O-N 3.28Å; A162-A165 PolarHBondContact O-N 3Å; A162-C166 WeakPolarHBondContact O-CB 3.3Å; A162-C166 PolarHBondContact O-N 3.4Å; A162-C166 PolarHBondContact O-SG 2.83Å; A162-I246 HydrophobicContact CB-CD1 4.44Å; A162-I246 HydrophobicContact CB-CG1 4.12Å; A162-I246 HydrophobicContact CB-CG2 4.18Å; A162-L249 HydrophobicContact CB-CD2 4.21Å
163	A	98	Very high	95.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-43.3	177	0	0	0	0	0	111.7	V58 V69 V71 A159 A160 S161 C166 S167	V58-A163 HydrophobicContact CB-CB 4.11Å; V58-A163 HydrophobicContact CG2-CB 4.07Å; V69-A163 HydrophobicContact CG1-CB 4.33Å; V71-A163 HydrophobicContact CG1-CB 3.8Å; V71-A163 HydrophobicContact CG2-CB 4.21Å; V71-A163 WeakPolarHBondContact CG2-O 3.4Å; A159-A163 WeakPolarHBondContact O-CB 3.31Å; A159-A163 PolarHBondContact O-N 3.23Å; A160-A163 PolarHBondContact O-N 3.06Å; S161-A163 PolarHBondContact O-N 3.4Å; A163-C166 PolarHBondContact O-N 3.49Å; A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 3.44Å; A163-S167 VanDerWaalsContact O-N 3.1Å
164	L	97.3	Very high	95.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.4	-43.3	173.6	-75.2	173.6	0	0	0	111.8	V71 L125 F129 A160 S161 C166 S167 I169 W171 K257	V71-L164 HydrophobicContact CB-CD2 4.04Å; V71-L164 HydrophobicContact CG1-CD2 3.96Å; V71-L164 HydrophobicContact CG1-CG 4.02Å; V71-L164 HydrophobicContact CG2-CD2 4.22Å; L125-L164 HydrophobicContact CB-CD1 4.3Å; L125-L164 HydrophobicContact CD1-CD1 3.94Å; L125-L164 HydrophobicContact CD2-CD1 4.11Å; L125-L164 HydrophobicContact CG-CD1 4.33Å; F129-L164 HydrophobicContact CE2-CD1 4.23Å; F129-L164 HydrophobicContact CZ-CD1 3.94Å; F129-L164 HydrophobicContact CZ-CD2 4.03Å; A160-L164 PolarHBondContact O-N 2.93Å; S161-L164 PolarHBondContact O-N 3.06Å; L164-C166 VanDerWaalsContact C-N 3.31Å; L164-C166 PolarHBondContact O-N 2.88Å; L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 3.32Å; L164-S167 VanDerWaalsContact O-N 3.09Å; L164-S167 PolarHBondContact O-OG 3.13Å; L164-I169 HydrophobicContact CD2-CD1 4.23Å; L164-W171 HydrophobicContact CB-CD2 3.72Å; L164-W171 HydrophobicContact CB-CE3 3.37Å; L164-W171 HydrophobicContact CB-CG 4.33Å; L164-W171 HydrophobicContact CB-CH2 4.23Å; L164-W171 HydrophobicContact CB-CZ3 3.63Å; L164-W171 HydrophobicContact CD1-CD2 3.88Å; L164-W171 HydrophobicContact CD1-CE3 4.33Å; L164-W171 HydrophobicContact CD1-CG 4.24Å; L164-W171 HydrophobicContact CD1-CH2 4.43Å; L164-W171 HydrophobicContact CD1-CZ2 4.02Å; L164-W171 HydrophobicContact CG-CD2 4.37Å; L164-W171 HydrophobicContact CG-CE3 4.46Å; L164-K257 PolarHBondContact O-NZ 2.73Å
165	A	96.6	Very high	95.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-56.9	-44.5	176.7	0	0	0	0	0	111.5	S161 A162 S167 W171 I246 Q250 K257	S161-A165 WeakPolarHBondContact O-CB 3.27Å; S161-A165 PolarHBondContact O-N 3.43Å; A162-A165 PolarHBondContact O-N 3Å; A165-S167 VanDerWaalsContact C-N 3.31Å; A165-S167 PolarHBondContact O-N 3.23Å; A165-W171 HydrophobicContact CB-CZ3 4.25Å; A165-I246 HydrophobicContact CB-CG2 3.74Å; A165-Q250 HydrophobicContact CB-CB 4.32Å; A165-Q250 HydrophobicContact CB-CG 4.5Å; A165-Q250 WeakPolarHBondContact O-CG 3.33Å; A165-Q250 PolarHBondContact O-NE2 2.89Å; A165-K257 WeakPolarHBondContact O-CE 3.48Å; A165-K257 PolarHBondContact O-NZ 3.27Å
166	C	96	Very high	95.9	Very high	3 Å²	3	11 Å²	11	2%	0.02	6%	0.063	C	C	.	.	H	α-helix	trans	-76.9	-13.4	178.3	-62.9	0	0	0	0	114.5	A162 A163 L164 K255	A162-C166 WeakPolarHBondContact O-CB 3.3Å; A162-C166 PolarHBondContact O-N 3.4Å; A162-C166 PolarHBondContact O-SG 2.83Å; A163-C166 PolarHBondContact O-N 3.49Å; L164-C166 VanDerWaalsContact C-N 3.31Å; L164-C166 PolarHBondContact O-N 2.88Å; C166-K255 PolarHBondContact O-N 2.91Å
167	S	95.3	Very high	95.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-80.6	161.1	-179.4	82.1	0	0	0	0	112.4	D55 A163 L164 A165 I169 K257	D55-S167 WeakPolarHBondContact O-CA 3.48Å; A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 3.44Å; A163-S167 VanDerWaalsContact O-N 3.1Å; L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 3.32Å; L164-S167 VanDerWaalsContact O-N 3.09Å; L164-S167 PolarHBondContact O-OG 3.13Å; A165-S167 VanDerWaalsContact C-N 3.31Å; A165-S167 PolarHBondContact O-N 3.23Å; S167-I169 PolarHBondContact O-N 2.92Å; S167-I169 WeakPolarHBondContact OG-CB 3.43Å; S167-I169 PolarHBondContact OG-N 3.35Å; S167-K257 WeakPolarHBondContact O-CE 3.49Å; S167-K257 PolarHBondContact O-NZ 2.98Å
168	P	93	Very high	95.9	Very high	17 Å²	17	11 Å²	11	11%	0.11	6%	0.063	C	C	.	.	S	Bend	trans	-75.3	-2	171.3	35.2	-38.9	0	0	0	113.1	D55 K255 Q256 K257 R258	D55-P168 HydrophobicContact CB-CG 4.24Å; D55-P168 WeakPolarHBondContact O-CD 3.38Å; P168-K255 HydrophobicContact CB-CB 4.25Å; P168-K255 HydrophobicContact CG-CD 4.48Å; P168-Q256 WeakPolarHBondContact CA-O 3.46Å; P168-Q256 VanDerWaalsContact CB-O 3.26Å; P168-Q256 WeakPolarHBondContact CB-O 3.43Å; P168-K257 CarbonylContact O-C 3.55Å; P168-K257 WeakPolarHBondContact O-CA 3.25Å; P168-R258 HydrophobicContact CB-CG 4.26Å; P168-R258 VanDerWaalsContact O-CG 3.31Å; P168-R258 WeakPolarHBondContact O-CG 3.48Å; P168-R258 PolarHBondContact O-N 2.68Å
169	I	92.3	Very high	95.9	Very high	5 Å²	5	11.6 Å²	11.6	3%	0.026	7%	0.065	C	C	.	.	S	Bend	trans	-68.1	138.1	-175.4	-57.2	171.1	0	0	0	109.9	D55 V71 F129 L164 S167 W171 K257	D55-I169 HydrophobicContact CB-CD1 4.3Å; D55-I169 HydrophobicContact CB-CG1 4.44Å; V71-I169 HydrophobicContact CB-CD1 4.47Å; V71-I169 HydrophobicContact CG2-CD1 4.35Å; F129-I169 HydrophobicContact CE1-CG2 3.95Å; L164-I169 HydrophobicContact CD2-CD1 4.23Å; S167-I169 PolarHBondContact O-N 2.92Å; S167-I169 WeakPolarHBondContact OG-CB 3.43Å; S167-I169 PolarHBondContact OG-N 3.35Å; I169-W171 PolarHBondContact O-N 3.08Å; I169-K257 VanDerWaalsContact O-CD 3.29Å; I169-K257 WeakPolarHBondContact O-CD 3.21Å; I169-K257 PolarHBondContact O-NZ 3.39Å
170	L	90.2	Very high	95.9	Very high	41 Å²	41	11.6 Å²	11.6	22%	0.215	7%	0.065	C	C	.	.			trans	-69.3	97.9	177.3	-172	71.9	0	0	0	109.7	S130	S130-L170 WeakPolarHBondContact OG-CD2 3.29Å
171	W	92.5	Very high	95.8	Very high	13 Å²	13	11.6 Å²	11.6	5%	0.049	7%	0.065	C	C	.	.			trans	-147.7	128.7	-176.5	-177.5	69.3	0	0	0	109.2	L125 C128 F129 S161 L164 A165 I169 G173 V175	L125-W171 HydrophobicContact CD2-CH2 4.16Å; L125-W171 HydrophobicContact CD2-CZ2 3.66Å; L125-W171 PolarHBondContact O-NE1 3.25Å; L125-W171 VanDerWaalsContact O-NE1 3.07Å; C128-W171 HydrophobicContact CB-CD2 4.49Å; C128-W171 HydrophobicContact CB-CZ2 4.08Å; F129-W171 HydrophobicContact CD1-CB 4.38Å; F129-W171 AromaticContact CD1-CD1 3.8Å; F129-W171 HydrophobicContact CD1-CG 4.48Å; F129-W171 AromaticContact CD2-CD1 3.51Å; F129-W171 AromaticContact CD2-NE1 3.84Å; F129-W171 HydrophobicContact CE1-CB 4.15Å; F129-W171 AromaticContact CE1-CD1 3.74Å; F129-W171 HydrophobicContact CE1-CG 4.22Å; F129-W171 AromaticContact CE2-CD1 3.45Å; F129-W171 VanDerWaalsContact CE2-CD1 3.45Å; F129-W171 HydrophobicContact CE2-CG 4.45Å; F129-W171 AromaticContact CE2-NE1 3.65Å; F129-W171 AromaticContact CG-CD1 3.7Å; F129-W171 AromaticContact CZ-CD1 3.58Å; F129-W171 HydrophobicContact CZ-CG 4.22Å; S161-W171 VanDerWaalsContact O-CZ3 3.25Å; S161-W171 WeakPolarHBondContact O-CZ3 3.39Å; S161-W171 WeakPolarHBondContact OG-CH2 3.32Å; L164-W171 HydrophobicContact CB-CD2 3.72Å; L164-W171 HydrophobicContact CB-CE3 3.37Å; L164-W171 HydrophobicContact CB-CG 4.33Å; L164-W171 HydrophobicContact CB-CH2 4.23Å; L164-W171 HydrophobicContact CB-CZ3 3.63Å; L164-W171 HydrophobicContact CD1-CD2 3.88Å; L164-W171 HydrophobicContact CD1-CE3 4.33Å; L164-W171 HydrophobicContact CD1-CG 4.24Å; L164-W171 HydrophobicContact CD1-CH2 4.43Å; L164-W171 HydrophobicContact CD1-CZ2 4.02Å; L164-W171 HydrophobicContact CG-CD2 4.37Å; L164-W171 HydrophobicContact CG-CE3 4.46Å; A165-W171 HydrophobicContact CB-CZ3 4.25Å; I169-W171 PolarHBondContact O-N 3.08Å; W171-G173 PolarHBondContact O-N 3Å; W171-V175 HydrophobicContact CH2-CG2 4.35Å; W171-V175 HydrophobicContact CZ2-CG1 4.32Å; W171-V175 HydrophobicContact CZ2-CG2 4.32Å
172	Q	91.3	Very high	95.7	Very high	101 Å²	101	13.5 Å²	13.5	47%	0.472	8%	0.075	S	C	.	.			trans	-98.7	34.4	-171.3	-56.5	-172	14.3	0	0	112.7	C128 L544	C128-Q172 PolarHBondContact O-N 3.38Å; Q172-L544 HydrophobicContact CB-CD1 4.34Å; Q172-L544 HydrophobicContact CG-CD1 4.48Å
173	G	91.9	Very high	95.4	Very high	24 Å²	24	16.4 Å²	16.4	25%	0.247	9%	0.091	C	C	.	.			trans	-76	-161.7	166.5	0	0	0	0	0	112.1	W171	W171-G173 PolarHBondContact O-N 3Å
174	P	96.6	Very high	94.8	Very high	27 Å²	27	21.5 Å²	21.5	18%	0.175	13%	0.132	C	C	.	.			cis	-80.6	163	10.6	32.1	-35.4	0	0	0	114	L243 I246	P174-L243 HydrophobicContact CB-CD2 4.33Å; P174-L243 HydrophobicContact CG-CD2 4.04Å; P174-L243 WeakPolarHBondContact O-CD2 3.47Å; P174-I246 HydrophobicContact CB-CB 4.03Å; P174-I246 HydrophobicContact CB-CD1 4.32Å; P174-I246 HydrophobicContact CB-CG2 3.5Å; P174-I246 VanDerWaalsContact CB-CG2 3.5Å; P174-I246 HydrophobicContact CG-CB 4.33Å; P174-I246 HydrophobicContact CG-CG2 4.08Å
175	V	97.8	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.			trans	-110.4	150.6	163.9	-58.7	0	0	0	0	109.7	L125 V157 S161 W171 S207 T208 V214	L125-V175 HydrophobicContact CD2-CG2 3.71Å; V157-V175 HydrophobicContact CG1-CG2 4.49Å; S161-V175 VanDerWaalsContact CB-O 3.25Å; S161-V175 WeakPolarHBondContact CB-O 3.49Å; S161-V175 PolarHBondContact OG-N 3.48Å; S161-V175 PolarHBondContact OG-O 2.91Å; W171-V175 HydrophobicContact CH2-CG2 4.35Å; W171-V175 HydrophobicContact CZ2-CG1 4.32Å; W171-V175 HydrophobicContact CZ2-CG2 4.32Å; V175-S207 CarbonylContact C-O 3.34Å; V175-S207 WeakPolarHBondContact CA-O 3.31Å; V175-T208 HydrophobicContact CG1-CG2 3.8Å; V175-V214 HydrophobicContact CG1-CG2 4.44Å
176	A	98.1	Very high	94.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.2	171.1	0	0	0	0	0	109.5	T206 S207 S239 I242 L243	A176-T206 CarbonylContact O-C 3.5Å; A176-T206 WeakPolarHBondContact O-CA 3.48Å; A176-S207 PolarHBondContact N-O 3.44Å; A176-S207 PolarHBondContact O-N 3.45Å; A176-S239 WeakPolarHBondContact CB-O 3.41Å; A176-I242 HydrophobicContact CB-CB 3.7Å; A176-I242 HydrophobicContact CB-CD1 4.38Å; A176-I242 HydrophobicContact CB-CG2 3.66Å; A176-L243 HydrophobicContact CB-CD1 4.47Å; A176-L243 HydrophobicContact CB-CD2 3.75Å; A176-L243 HydrophobicContact CB-CG 3.66Å
177	A	98	Very high	94.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.1	174.6	0	0	0	0	0	110.1	V154 V157 N158 L205 T206	V154-A177 HydrophobicContact CG1-CB 3.97Å; V154-A177 WeakPolarHBondContact CG1-O 3.44Å; V157-A177 HydrophobicContact CB-CB 3.69Å; V157-A177 HydrophobicContact CG1-CB 3.65Å; V157-A177 HydrophobicContact CG2-CB 4.29Å; N158-A177 PolarHBondContact ND2-O 3.33Å; N158-A177 PolarHBondContact OD1-N 2.94Å; A177-L205 WeakPolarHBondContact CA-O 3.39Å; A177-T206 HydrophobicContact CB-CG2 3.57Å
178	V	97.7	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.1	174.7	178	0	0	0	0	108.7	V180 V189 V204 L205 A235 S239 I242	V178-V180 HydrophobicContact CG1-CG2 4.15Å; V178-V189 HydrophobicContact CG1-CG1 3.79Å; V178-V204 WeakPolarHBondContact O-CA 3.47Å; V178-L205 PolarHBondContact N-O 2.8Å; V178-L205 PolarHBondContact O-N 3.41Å; V178-A235 HydrophobicContact CB-CB 4.29Å; V178-A235 HydrophobicContact CG1-CB 4.27Å; V178-S239 WeakPolarHBondContact CG2-OG 3.47Å; V178-I242 HydrophobicContact CG2-CD1 3.86Å
179	R	97.9	Very high	94.4	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.045	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.3	167.6	176.9	171	-72.1	166.2	3.5	109.9	D151 E153 V154 N190 P191 N202 L203 V204	D151-R179 IonicContact OD1-CZ 2.63Å; D151-R179 IonicContact OD1-NH1 2.72Å; D151-R179 PolarHBondContact OD1-NH1 2.85Å; D151-R179 VanDerWaalsContact OD1-NH1 3.13Å; D151-R179 IonicContact OD2-NH1 2.76Å; D151-R179 PolarHBondContact OD2-NH1 3.34Å; E153-R179 IonicContact OE2-CZ 3.48Å; E153-R179 IonicContact OE2-NH2 3.3Å; E153-R179 PolarHBondContact OE2-NH2 3.31Å; V154-R179 HydrophobicContact CG2-CB 3.68Å; R179-N190 PolarHBondContact N-OD1 3.17Å; R179-N190 WeakPolarHBondContact O-CA 3.37Å; R179-N190 PolarHBondContact O-N 3.07Å; R179-P191 HydrophobicContact CG-CG 4.14Å; R179-N202 WeakPolarHBondContact CD-OD1 3.35Å; R179-N202 PolarHBondContact NE-OD1 3.48Å; R179-L203 CarbonylContact C-O 3.53Å; R179-L203 WeakPolarHBondContact CA-O 3.35Å; R179-V204 HydrophobicContact CB-CG2 4.27Å; R179-V204 HydrophobicContact CG-CG2 4.31Å
180	V	97.9	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.5	174.4	179.1	0	0	0	0	109.3	V178 P187 L188 L203 C231 A235	V178-V180 HydrophobicContact CG1-CG2 4.15Å; V180-P187 HydrophobicContact CG1-CB 3.78Å; V180-L188 WeakPolarHBondContact CA-O 3.44Å; V180-L203 HydrophobicContact CB-CB 4.42Å; V180-L203 HydrophobicContact CB-CD2 4.5Å; V180-L203 PolarHBondContact N-O 3.13Å; V180-L203 PolarHBondContact O-N 2.94Å; V180-C231 HydrophobicContact CG1-CB 3.87Å; V180-A235 HydrophobicContact CG2-CB 3.72Å
181	A	97.3	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	173.7	167.5	0	0	0	0	0	110.4	P187 L188 P191 L196 S199 F201	A181-P187 CarbonylContact O-C 3.59Å; A181-P187 WeakPolarHBondContact O-CA 3.2Å; A181-L188 HydrophobicContact CB-CB 4.44Å; A181-L188 PolarHBondContact N-O 3.45Å; A181-L188 PolarHBondContact O-N 3.47Å; A181-P191 HydrophobicContact CB-CB 3.84Å; A181-P191 HydrophobicContact CB-CG 3.59Å; A181-L196 HydrophobicContact CB-CD1 4.11Å; A181-S199 WeakPolarHBondContact CB-OG 3.28Å; A181-F201 WeakPolarHBondContact CA-O 3.08Å
182	L	95.9	Very high	94.7	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.8	175.3	-167.1	74	0	0	0	109.4	S199 F201 V227	L182-S199 PolarHBondContact N-OG 2.89Å; L182-S199 PolarHBondContact O-OG 3.48Å; L182-S199 VanDerWaalsContact O-OG 3.1Å; L182-F201 HydrophobicContact CB-CB 3.99Å; L182-V227 HydrophobicContact CD1-CG1 3.96Å; L182-V227 HydrophobicContact CD2-CG1 3.96Å
183	D	91	Very high	94.7	Very high	61 Å²	61	30.1 Å²	30.1	33%	0.326	19%	0.187	S	C	.	.			trans	-111.1	-168.7	168.3	76.4	4.1	0	0	0	111.4	N185 G186 L188	D183-N185 PolarHBondContact O-N 3.03Å; D183-N185 WeakPolarHBondContact OD1-CA 3.39Å; D183-N185 PolarHBondContact OD1-N 3.08Å; D183-G186 PolarHBondContact N-O 3.46Å; D183-G186 PolarHBondContact OD1-N 2.91Å; D183-G186 VanDerWaalsContact OD1-O 3.05Å; D183-L188 HydrophobicContact CB-CD1 3.64Å; D183-L188 HydrophobicContact CB-CG 4.04Å; D183-L188 WeakPolarHBondContact OD2-CD1 3.45Å; D183-L188 WeakPolarHBondContact OD2-CD2 3.07Å; D183-L188 WeakPolarHBondContact OD2-CG 3.4Å
184	A	87.3	Confident	94.6	Very high	106 Å²	106	34.9 Å²	34.9	88%	0.876	20%	0.202	S	C	*	.	S	Bend	trans	-67.8	-21.1	179	0	0	0	0	0	113.8
185	N	87.8	Confident	94.5	Very high	157 Å²	157	37 Å²	37	84%	0.84	21%	0.21	S	C	*	.	S	Bend	trans	-102.4	-14.6	-176.5	-60	-43.8	0	0	0	112.8	D183	D183-N185 PolarHBondContact O-N 3.03Å; D183-N185 WeakPolarHBondContact OD1-CA 3.39Å; D183-N185 PolarHBondContact OD1-N 3.08Å
186	G	92	Very high	94.2	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	22%	0.218	C	C	.	.	S	Bend	trans	139	-152.9	175.4	0	0	0	0	0	113.9	D183 L188	D183-G186 PolarHBondContact N-O 3.46Å; D183-G186 PolarHBondContact OD1-N 2.91Å; D183-G186 VanDerWaalsContact OD1-O 3.05Å; G186-L188 PolarHBondContact O-N 3.26Å
187	P	96	Very high	93.8	Very high	34 Å²	34	45.1 Å²	45.1	22%	0.221	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.7	179.4	-20.6	32.8	0	0	0	112.6	V180 A181 H230 C234	V180-P187 HydrophobicContact CG1-CB 3.78Å; A181-P187 CarbonylContact O-C 3.59Å; A181-P187 WeakPolarHBondContact O-CA 3.2Å; P187-H230 VanDerWaalsContact CG-CD2 3.43Å; P187-H230 WeakPolarHBondContact CG-CD2 3.5Å; P187-C234 HydrophobicContact CB-CB 4.15Å; P187-C234 HydrophobicContact CG-CB 4.49Å
188	L	96	Very high	93.6	Very high	39 Å²	39	52.8 Å²	52.8	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.5	170.5	-72.4	179.7	0	0	0	110.3	V180 A181 D183 G186 Q195	V180-L188 WeakPolarHBondContact CA-O 3.44Å; A181-L188 HydrophobicContact CB-CB 4.44Å; A181-L188 PolarHBondContact N-O 3.45Å; A181-L188 PolarHBondContact O-N 3.47Å; D183-L188 HydrophobicContact CB-CD1 3.64Å; D183-L188 HydrophobicContact CB-CG 4.04Å; D183-L188 WeakPolarHBondContact OD2-CD1 3.45Å; D183-L188 WeakPolarHBondContact OD2-CD2 3.07Å; D183-L188 WeakPolarHBondContact OD2-CG 3.4Å; G186-L188 PolarHBondContact O-N 3.26Å; L188-Q195 HydrophobicContact CD1-CB 4.32Å; L188-Q195 HydrophobicContact CD1-CG 4.32Å
189	V	96.3	Very high	93.4	Very high	20 Å²	20	53.9 Å²	53.9	12%	0.121	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133	176.7	177.7	0	0	0	0	110.4	V38 V178 C234 S238	V38-V189 HydrophobicContact CG1-CG1 3.97Å; V178-V189 HydrophobicContact CG1-CG1 3.79Å; V189-C234 WeakPolarHBondContact CG2-SG 3.47Å; V189-S238 WeakPolarHBondContact CG2-OG 3.29Å
190	N	94.8	Very high	93.3	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	31%	0.312	C	S	.	.	S	Bend	trans	43.4	60.9	-177.3	-71	-17.3	0	0	0	113	V38 R41 R179	V38-N190 WeakPolarHBondContact CG1-ND2 3.09Å; R41-N190 PolarHBondContact NE-O 2.95Å; R41-N190 PolarHBondContact NH1-O 2.95Å; R41-N190 PolarHBondContact NH2-O 3.07Å; R179-N190 PolarHBondContact N-OD1 3.17Å; R179-N190 WeakPolarHBondContact O-CA 3.37Å; R179-N190 PolarHBondContact O-N 3.07Å
191	P	95.2	Very high	93.3	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.032	31%	0.312	C	S	.	.			trans	-59	155.3	-176	29.5	-39.4	0	0	0	112.3	R41 R179 A181 Q195 L196	R41-P191 PolarHBondContact NH1-O 3.05Å; R41-P191 VanDerWaalsContact NH2-C 3.3Å; R179-P191 HydrophobicContact CG-CG 4.14Å; A181-P191 HydrophobicContact CB-CB 3.84Å; A181-P191 HydrophobicContact CB-CG 3.59Å; P191-Q195 HydrophobicContact CB-CB 3.85Å; P191-L196 HydrophobicContact CG-CB 4.35Å; P191-L196 HydrophobicContact CG-CD1 4Å
192	T	92.9	Very high	93.3	Very high	27 Å²	27	61.5 Å²	61.5	17%	0.166	32%	0.322	C	S	.	.			trans	-70.4	162.7	169.7	63.4	0	0	0	0	108.6	R41 I149 Q194 Q195 L196	R41-T192 VanDerWaalsContact CZ-CG2 3.47Å; R41-T192 VanDerWaalsContact NH1-CG2 3.3Å; R41-T192 VanDerWaalsContact NH2-CG2 3.29Å; I149-T192 HydrophobicContact CG2-CG2 3.61Å; I149-T192 CarbonylContact O-C 3.42Å; I149-T192 WeakPolarHBondContact O-CA 3.28Å; T192-Q194 PolarHBondContact O-N 3.4Å; T192-Q195 PolarHBondContact O-N 3.39Å; T192-Q195 VanDerWaalsContact O-N 3.09Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.38Å; T192-Q195 PolarHBondContact OG1-N 3.25Å; T192-Q195 PolarHBondContact OG1-OE1 2.97Å; T192-L196 WeakPolarHBondContact O-CB 3.26Å; T192-L196 PolarHBondContact O-N 3.02Å
193	K	89.8	Confident	93.4	Very high	56 Å²	56	59.7 Å²	59.7	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-50.9	-43.6	171.7	-171.9	174.5	-176.9	171.8	0	112.1	I149 L196 E197	I149-K193 PolarHBondContact O-N 3.37Å; K193-L196 PolarHBondContact O-N 3.22Å; K193-E197 WeakPolarHBondContact O-CG 3.33Å; K193-E197 PolarHBondContact O-N 3.22Å
194	Q	90.4	Very high	93.7	Very high	124 Å²	124	56.9 Å²	56.9	58%	0.579	30%	0.297	S	S	*	.	H	α-helix	trans	-67.8	-38	178.9	-167.3	-174.6	19.3	0	0	113.3	T192 K198	T192-Q194 PolarHBondContact O-N 3.4Å; Q194-K198 WeakPolarHBondContact O-CG 3.41Å; Q194-K198 PolarHBondContact O-N 3.26Å
195	Q	94.1	Very high	94.2	Very high	72 Å²	72	51.9 Å²	51.9	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-40.5	174.4	-74.7	169.6	-37	0	0	110.7	L188 P191 T192 K198 S199	L188-Q195 HydrophobicContact CD1-CB 4.32Å; L188-Q195 HydrophobicContact CD1-CG 4.32Å; P191-Q195 HydrophobicContact CB-CB 3.85Å; T192-Q195 PolarHBondContact O-N 3.39Å; T192-Q195 VanDerWaalsContact O-N 3.09Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.38Å; T192-Q195 PolarHBondContact OG1-N 3.25Å; T192-Q195 PolarHBondContact OG1-OE1 2.97Å; Q195-K198 PolarHBondContact O-N 3.05Å; Q195-S199 PolarHBondContact O-N 3.02Å; Q195-S199 VanDerWaalsContact O-N 3.1Å
196	L	92.5	Very high	94.7	Very high	32 Å²	32	44.4 Å²	44.4	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-41	178.9	-168.7	63.9	0	0	0	112.2	A181 P191 T192 K193 K198 S199 N202	A181-L196 HydrophobicContact CB-CD1 4.11Å; P191-L196 HydrophobicContact CG-CB 4.35Å; P191-L196 HydrophobicContact CG-CD1 4Å; T192-L196 WeakPolarHBondContact O-CB 3.26Å; T192-L196 PolarHBondContact O-N 3.02Å; K193-L196 PolarHBondContact O-N 3.22Å; L196-K198 PolarHBondContact O-N 3.36Å; L196-S199 WeakPolarHBondContact O-CB 3.25Å; L196-S199 PolarHBondContact O-N 3.49Å; L196-S199 VanDerWaalsContact O-N 3.09Å; L196-N202 HydrophobicContact CD1-CB 3.84Å
197	E	89.5	Confident	95	Very high	139 Å²	139	43.6 Å²	43.6	65%	0.65	21%	0.208	S	C	*	.	H	α-helix	trans	-61.4	-28.1	175.9	-77	171.5	-175.3	0	0	113.3	K193	K193-E197 WeakPolarHBondContact O-CG 3.33Å; K193-E197 PolarHBondContact O-N 3.22Å
198	K	92.4	Very high	95.1	Very high	161 Å²	161	42.6 Å²	42.6	70%	0.7	20%	0.201	S	C	*	.	H	α-helix	trans	-90.1	-13.5	176.9	-67.9	175.8	-179.7	179.7	0	113.2	Q194 Q195 L196	Q194-K198 WeakPolarHBondContact O-CG 3.41Å; Q194-K198 PolarHBondContact O-N 3.26Å; Q195-K198 PolarHBondContact O-N 3.05Å; L196-K198 PolarHBondContact O-N 3.36Å
199	S	95.4	Very high	94.9	Very high	23 Å²	23	43.4 Å²	43.4	16%	0.161	21%	0.213	C	C	.	.			trans	-76.7	144.9	-176.3	-178.6	0	0	0	0	111.6	A181 L182 Q195 L196 F201	A181-S199 WeakPolarHBondContact CB-OG 3.28Å; L182-S199 PolarHBondContact N-OG 2.89Å; L182-S199 PolarHBondContact O-OG 3.48Å; L182-S199 VanDerWaalsContact O-OG 3.1Å; Q195-S199 PolarHBondContact O-N 3.02Å; Q195-S199 VanDerWaalsContact O-N 3.1Å; L196-S199 WeakPolarHBondContact O-CB 3.25Å; L196-S199 PolarHBondContact O-N 3.49Å; L196-S199 VanDerWaalsContact O-N 3.09Å; S199-F201 VanDerWaalsContact C-N 3.34Å; S199-F201 WeakPolarHBondContact CB-O 3.15Å; S199-F201 PolarHBondContact OG-N 3.24Å; S199-F201 PolarHBondContact OG-O 3.1Å
200	R	94.6	Very high	94.7	Very high	133 Å²	133	49.4 Å²	49.4	50%	0.502	25%	0.245	S	C	.	.	S	Bend	trans	-85.4	-9.4	169.8	-70.6	179.2	63.2	-147.6	-7.8	113	G220 D221 I223	R200-G220 CarbonylContact O-C 3.45Å; R200-G220 WeakPolarHBondContact O-CA 3.13Å; R200-D221 HydrophobicContact CB-CB 4.17Å; R200-D221 HydrophobicContact CG-CB 4.45Å; R200-D221 IonicContact NE-OD2 3.65Å; R200-D221 PolarHBondContact NE-OD2 3.33Å; R200-D221 PolarHBondContact NH2-O 3.43Å; R200-D221 PolarHBondContact O-N 3.41Å; R200-I223 HydrophobicContact CB-CD1 4.03Å
201	F	97.4	Very high	94.7	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.5	-177.6	-168.2	-129.7	0	0	0	111.6	A181 L182 S199 L203 A218 S219 I223 V228 C231 M537	A181-F201 WeakPolarHBondContact CA-O 3.08Å; L182-F201 HydrophobicContact CB-CB 3.99Å; S199-F201 VanDerWaalsContact C-N 3.34Å; S199-F201 WeakPolarHBondContact CB-O 3.15Å; S199-F201 PolarHBondContact OG-N 3.24Å; S199-F201 PolarHBondContact OG-O 3.1Å; F201-L203 HydrophobicContact CD1-CB 4.22Å; F201-L203 HydrophobicContact CE1-CB 3.53Å; F201-L203 HydrophobicContact CE1-CD2 4.09Å; F201-L203 HydrophobicContact CE1-CG 4.37Å; F201-L203 HydrophobicContact CZ-CB 3.78Å; F201-L203 HydrophobicContact CZ-CD2 4.44Å; F201-L203 HydrophobicContact CZ-CG 4.5Å; F201-A218 HydrophobicContact CE2-CB 4.11Å; F201-A218 HydrophobicContact CZ-CB 4.25Å; F201-S219 WeakPolarHBondContact CD2-O 3.31Å; F201-I223 HydrophobicContact CB-CD1 4.18Å; F201-I223 HydrophobicContact CB-CG1 4.05Å; F201-I223 HydrophobicContact CD2-CB 4.32Å; F201-I223 HydrophobicContact CD2-CG1 3.67Å; F201-I223 HydrophobicContact CD2-CG2 4.48Å; F201-I223 HydrophobicContact CE2-CG1 4.41Å; F201-I223 HydrophobicContact CG-CG1 4.09Å; F201-V228 HydrophobicContact CE2-CG2 4.37Å; F201-V228 HydrophobicContact CZ-CG1 4.24Å; F201-V228 HydrophobicContact CZ-CG2 4.19Å; F201-C231 HydrophobicContact CD1-CB 4.15Å; F201-C231 HydrophobicContact CE1-CB 3.69Å; F201-M537 HydrophobicContact CZ-CE 4.27Å
202	N	97.3	Very high	94.8	Very high	37 Å²	37	57.2 Å²	57.2	20%	0.198	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	106.9	173.8	176.4	13.9	0	0	0	107.7	R179 L196 A218 S219	R179-N202 WeakPolarHBondContact CD-OD1 3.35Å; R179-N202 PolarHBondContact NE-OD1 3.48Å; L196-N202 HydrophobicContact CD1-CB 3.84Å; N202-A218 CarbonylContact O-C 3.57Å; N202-A218 WeakPolarHBondContact O-CA 3.36Å; N202-S219 PolarHBondContact N-O 3.49Å; N202-S219 PolarHBondContact O-N 2.98Å
203	L	98.1	Very high	95	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.7	177.8	169.2	65.9	0	0	0	108.8	R179 V180 F201 L205 V216 A218 C231 A232	R179-L203 CarbonylContact C-O 3.53Å; R179-L203 WeakPolarHBondContact CA-O 3.35Å; V180-L203 HydrophobicContact CB-CB 4.42Å; V180-L203 HydrophobicContact CB-CD2 4.5Å; V180-L203 PolarHBondContact N-O 3.13Å; V180-L203 PolarHBondContact O-N 2.94Å; F201-L203 HydrophobicContact CD1-CB 4.22Å; F201-L203 HydrophobicContact CE1-CB 3.53Å; F201-L203 HydrophobicContact CE1-CD2 4.09Å; F201-L203 HydrophobicContact CE1-CG 4.37Å; F201-L203 HydrophobicContact CZ-CB 3.78Å; F201-L203 HydrophobicContact CZ-CD2 4.44Å; F201-L203 HydrophobicContact CZ-CG 4.5Å; L203-L205 HydrophobicContact CG-CB 4.48Å; L203-V216 HydrophobicContact CD1-CG1 3.5Å; L203-A218 HydrophobicContact CB-CB 4.42Å; L203-A218 HydrophobicContact CD1-CB 3.83Å; L203-C231 HydrophobicContact CD2-CB 4.11Å; L203-A232 HydrophobicContact CD2-CB 4.26Å
204	V	98.3	Very high	95.4	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.6	162.2	-178.7	0	0	0	0	107.5	L120 V154 V178 R179 M215 V216 E217	L120-V204 HydrophobicContact CD1-CB 4.42Å; L120-V204 HydrophobicContact CD1-CG1 4.21Å; L120-V204 HydrophobicContact CD1-CG2 4.48Å; L120-V204 HydrophobicContact CD2-CG1 4.38Å; V154-V204 HydrophobicContact CG2-CG1 4.24Å; V154-V204 HydrophobicContact CG2-CG2 4.49Å; V178-V204 WeakPolarHBondContact O-CA 3.47Å; R179-V204 HydrophobicContact CB-CG2 4.27Å; R179-V204 HydrophobicContact CG-CG2 4.31Å; V204-M215 HydrophobicContact CG1-CE 4.17Å; V204-V216 WeakPolarHBondContact O-CA 3.48Å; V204-E217 PolarHBondContact N-O 3.5Å; V204-E217 PolarHBondContact O-N 2.97Å
205	L	98.3	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.7	178	-177.3	149.4	0	0	0	108.7	A177 V178 L203 V213 M215 V216 A232 A235 L236 F552	A177-L205 WeakPolarHBondContact CA-O 3.39Å; V178-L205 PolarHBondContact N-O 2.8Å; V178-L205 PolarHBondContact O-N 3.41Å; L203-L205 HydrophobicContact CG-CB 4.48Å; L205-V213 HydrophobicContact CD1-CG1 4.39Å; L205-V213 HydrophobicContact CD1-CG2 4.46Å; L205-V213 HydrophobicContact CG-CG1 4.4Å; L205-M215 WeakPolarHBondContact CA-O 3.37Å; L205-V216 HydrophobicContact CD1-CG2 4.2Å; L205-V216 HydrophobicContact CG-CG2 4.24Å; L205-A232 HydrophobicContact CD1-CB 4.31Å; L205-A235 HydrophobicContact CB-CB 4Å; L205-A235 HydrophobicContact CD1-CB 4.39Å; L205-A235 HydrophobicContact CD2-CB 4.3Å; L205-A235 HydrophobicContact CG-CB 4.47Å; L205-L236 HydrophobicContact CD1-CG 4.38Å; L205-L236 HydrophobicContact CD2-CD2 3.7Å; L205-L236 HydrophobicContact CD2-CG 4.13Å; L205-F552 HydrophobicContact CD1-CE1 4.28Å
206	T	98.2	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.7	164.9	67.7	0	0	0	0	111.8	S124 V157 A176 A177 V214 M215	S124-T206 WeakPolarHBondContact OG-CG2 3.33Å; V157-T206 HydrophobicContact CG1-CG2 4.08Å; A176-T206 CarbonylContact O-C 3.5Å; A176-T206 WeakPolarHBondContact O-CA 3.48Å; A177-T206 HydrophobicContact CB-CG2 3.57Å; T206-V214 PolarHBondContact O-N 3.47Å; T206-V214 WeakPolarHBondContact OG1-CB 3.2Å; T206-M215 HydrophobicContact CG2-CE 3.9Å; T206-M215 PolarHBondContact N-O 3.35Å; T206-M215 PolarHBondContact O-N 3.15Å; T206-M215 VanDerWaalsContact OG1-CB 3.25Å; T206-M215 WeakPolarHBondContact OG1-CB 3.38Å; T206-M215 PolarHBondContact OG1-N 3.37Å; T206-M215 VanDerWaalsContact OG1-N 3.09Å
207	S	97.8	Very high	96.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.1	178.4	63.7	0	0	0	0	112	V175 A176 R212 S239	V175-S207 CarbonylContact C-O 3.34Å; V175-S207 WeakPolarHBondContact CA-O 3.31Å; A176-S207 PolarHBondContact N-O 3.44Å; A176-S207 PolarHBondContact O-N 3.45Å; S207-R212 CarbonylContact C-O 3.51Å; S207-R212 WeakPolarHBondContact CA-O 3.18Å; S207-R212 WeakPolarHBondContact CB-O 2.92Å; S207-S239 WeakPolarHBondContact OG-CB 3.36Å; S207-S239 PolarHBondContact OG-OG 3.43Å
208	T	97.1	Very high	96.6	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.074	18%	0.175	C	C	.	.			trans	-105.3	-167	168.8	63.6	0	0	0	0	109.9	V175 R212 V214 L243 G545	V175-T208 HydrophobicContact CG1-CG2 3.8Å; T208-R212 PolarHBondContact N-O 3.37Å; T208-V214 HydrophobicContact CG2-CG2 3.73Å; T208-L243 VanDerWaalsContact C-CD1 3.44Å; T208-L243 VanDerWaalsContact O-CD1 3.28Å; T208-L243 WeakPolarHBondContact O-CD1 3.31Å; T208-G545 WeakPolarHBondContact CG2-O 3.32Å; T208-G545 PolarHBondContact OG1-O 3.12Å
209	A	92.8	Very high	96.8	Very high	57 Å²	57	30.5 Å²	30.5	47%	0.471	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-54.4	161.7	169.4	0	0	0	0	0	111.9	R211 R212	A209-R211 PolarHBondContact O-N 3.16Å; A209-R211 VanDerWaalsContact O-N 3.1Å; A209-R212 PolarHBondContact O-N 3.34Å
210	D	91.1	Very high	96.8	Very high	146 Å²	146	29.8 Å²	29.8	78%	0.781	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	56.7	28.1	178.8	-48.5	-40.2	0	0	0	114.1	R212	D210-R212 PolarHBondContact O-N 3.07Å
211	R	95.2	Very high	96.8	Very high	80 Å²	80	25.2 Å²	25.2	30%	0.302	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	60.1	25.8	177.1	-50.1	170.7	59.2	78.1	-0.5	113.9	A209 V213 L236 D237 D549	A209-R211 PolarHBondContact O-N 3.16Å; A209-R211 VanDerWaalsContact O-N 3.1Å; R211-V213 PolarHBondContact O-N 3.44Å; R211-L236 HydrophobicContact CB-CD2 4.46Å; R211-D237 IonicContact CZ-OD1 2.7Å; R211-D237 IonicContact NH1-OD1 2.63Å; R211-D237 PolarHBondContact NH1-OD1 2.82Å; R211-D237 IonicContact NH2-OD1 3.25Å; R211-D549 IonicContact CZ-OD2 3.88Å; R211-D549 IonicContact NE-OD2 2.75Å; R211-D549 PolarHBondContact NE-OD2 3.35Å; R211-D549 IonicContact NH2-OD2 2.9Å; R211-D549 PolarHBondContact NH2-OD2 2.85Å; R211-D549 VanDerWaalsContact NH2-OD2 3.08Å
212	R	96.9	Very high	96.7	Very high	95 Å²	95	25.3 Å²	25.3	36%	0.358	14%	0.135	S	C	.	.			trans	-77.1	124.8	-179.9	-58.9	-179.8	76.4	152.2	4	110.9	S207 T208 A209 D210 G545 G546 I547	S207-R212 CarbonylContact C-O 3.51Å; S207-R212 WeakPolarHBondContact CA-O 3.18Å; S207-R212 WeakPolarHBondContact CB-O 2.92Å; T208-R212 PolarHBondContact N-O 3.37Å; A209-R212 PolarHBondContact O-N 3.34Å; D210-R212 PolarHBondContact O-N 3.07Å; R212-G545 WeakPolarHBondContact CB-O 3.41Å; R212-G546 VanDerWaalsContact CZ-O 3.22Å; R212-G546 PolarHBondContact NE-O 3.06Å; R212-G546 PolarHBondContact NH2-O 3.3Å; R212-I547 CarbonylContact C-O 3.56Å; R212-I547 WeakPolarHBondContact CA-O 3.44Å; R212-I547 WeakPolarHBondContact CB-O 3.44Å
213	V	98	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.1	179.9	-176.5	0	0	0	0	109.7	L205 R211 V216 L236 L539 G546 I547 D549 F552	L205-V213 HydrophobicContact CD1-CG1 4.39Å; L205-V213 HydrophobicContact CD1-CG2 4.46Å; L205-V213 HydrophobicContact CG-CG1 4.4Å; R211-V213 PolarHBondContact O-N 3.44Å; V213-V216 HydrophobicContact CG1-CG2 3.64Å; V213-L236 HydrophobicContact CG2-CD1 4.43Å; V213-L236 HydrophobicContact CG2-CD2 4.05Å; V213-L539 HydrophobicContact CG1-CD2 4.27Å; V213-G546 CarbonylContact O-C 3.56Å; V213-G546 WeakPolarHBondContact O-CA 3.48Å; V213-I547 HydrophobicContact CB-CG1 4.02Å; V213-I547 PolarHBondContact N-O 3.12Å; V213-I547 WeakPolarHBondContact O-CG1 3.41Å; V213-I547 PolarHBondContact O-N 3.44Å; V213-D549 HydrophobicContact CG2-CB 4.37Å; V213-F552 HydrophobicContact CG2-CB 4.18Å; V213-F552 HydrophobicContact CG2-CD1 4.06Å; V213-F552 HydrophobicContact CG2-CG 4.32Å
214	V	97.6	Very high	96.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-53.9	179.8	163.8	0	0	0	0	111.6	C127 V175 T206 T208 T541	C127-V214 WeakPolarHBondContact SG-CG1 3.41Å; V175-V214 HydrophobicContact CG1-CG2 4.44Å; T206-V214 PolarHBondContact O-N 3.47Å; T206-V214 WeakPolarHBondContact OG1-CB 3.2Å; T208-V214 HydrophobicContact CG2-CG2 3.73Å; V214-T541 VanDerWaalsContact O-CG2 3.28Å; V214-T541 WeakPolarHBondContact O-CG2 3.49Å; V214-T541 PolarHBondContact O-N 3.23Å
215	M	97.8	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.7	-175.4	-173.5	-77.3	-59.5	0	0	109.1	L120 R123 S124 V204 L205 T206 E217 L539	L120-M215 HydrophobicContact CD1-CE 4.39Å; L120-M215 HydrophobicContact CD2-CE 4.04Å; L120-M215 HydrophobicContact CG-CE 3.75Å; R123-M215 HydrophobicContact CB-CG 3.67Å; R123-M215 PolarHBondContact NH2-SD 2.9Å; S124-M215 WeakPolarHBondContact OG-CE 3.17Å; V204-M215 HydrophobicContact CG1-CE 4.17Å; L205-M215 WeakPolarHBondContact CA-O 3.37Å; T206-M215 HydrophobicContact CG2-CE 3.9Å; T206-M215 PolarHBondContact N-O 3.35Å; T206-M215 PolarHBondContact O-N 3.15Å; T206-M215 VanDerWaalsContact OG1-CB 3.25Å; T206-M215 WeakPolarHBondContact OG1-CB 3.38Å; T206-M215 PolarHBondContact OG1-N 3.37Å; T206-M215 VanDerWaalsContact OG1-N 3.09Å; M215-E217 HydrophobicContact SD-CB 3.98Å; M215-L539 WeakPolarHBondContact CA-O 3.04Å
216	V	98.4	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.6	169.6	-178.6	0	0	0	0	109.1	R123 L203 V204 L205 V213 Q538 L539 F552	R123-V216 PolarHBondContact NH2-O 3.35Å; L203-V216 HydrophobicContact CD1-CG1 3.5Å; V204-V216 WeakPolarHBondContact O-CA 3.48Å; L205-V216 HydrophobicContact CD1-CG2 4.2Å; L205-V216 HydrophobicContact CG-CG2 4.24Å; V213-V216 HydrophobicContact CG1-CG2 3.64Å; V216-Q538 CarbonylContact O-C 3.56Å; V216-Q538 VanDerWaalsContact O-CA 3.29Å; V216-Q538 WeakPolarHBondContact O-CA 3.48Å; V216-L539 HydrophobicContact CB-CB 3.64Å; V216-L539 HydrophobicContact CG2-CB 3.91Å; V216-L539 PolarHBondContact N-O 3.46Å; V216-L539 PolarHBondContact O-N 3.36Å; V216-F552 HydrophobicContact CB-CZ 4.43Å; V216-F552 HydrophobicContact CG1-CZ 4.21Å; V216-F552 HydrophobicContact CG2-CE1 4.23Å; V216-F552 HydrophobicContact CG2-CE2 4.03Å; V216-F552 HydrophobicContact CG2-CZ 3.75Å
217	E	97.9	Very high	96.4	Very high	18 Å²	18	34 Å²	34	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	116.4	167.7	-177.7	78.9	-175.1	0	0	107.4	L120 R123 V204 M215 K443 M537 Q538	L120-E217 HydrophobicContact CD1-CB 4.43Å; R123-E217 IonicContact CZ-OE2 2.71Å; R123-E217 IonicContact NH1-OE2 2.91Å; R123-E217 PolarHBondContact NH1-OE2 3.07Å; V204-E217 PolarHBondContact N-O 3.5Å; V204-E217 PolarHBondContact O-N 2.97Å; M215-E217 HydrophobicContact SD-CB 3.98Å; E217-K443 IonicContact OE1-NZ 3.45Å; E217-K443 PolarHBondContact OE1-NZ 3.15Å; E217-M537 WeakPolarHBondContact CA-O 3.19Å; E217-Q538 WeakPolarHBondContact OE2-CG 3.47Å; E217-Q538 PolarHBondContact OE2-NE2 3.31Å
218	A	97.6	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.7	-177.9	0	0	0	0	0	113	F201 N202 L203 A536 M537	F201-A218 HydrophobicContact CE2-CB 4.11Å; F201-A218 HydrophobicContact CZ-CB 4.25Å; N202-A218 CarbonylContact O-C 3.57Å; N202-A218 WeakPolarHBondContact O-CA 3.36Å; L203-A218 HydrophobicContact CB-CB 4.42Å; L203-A218 HydrophobicContact CD1-CB 3.83Å; A218-A536 VanDerWaalsContact O-CA 3.29Å; A218-A536 WeakPolarHBondContact O-CA 3.39Å; A218-M537 HydrophobicContact CB-CB 4.05Å; A218-M537 HydrophobicContact CB-CE 3.7Å; A218-M537 PolarHBondContact N-O 2.87Å; A218-M537 PolarHBondContact O-N 2.87Å
219	S	96.6	Very high	96.4	Very high	31 Å²	31	37.5 Å²	37.5	22%	0.217	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.4	166.7	59.8	0	0	0	0	109.8	F201 N202 T535	F201-S219 WeakPolarHBondContact CD2-O 3.31Å; N202-S219 PolarHBondContact N-O 3.49Å; N202-S219 PolarHBondContact O-N 2.98Å; S219-T535 CarbonylContact C-O 3.56Å; S219-T535 WeakPolarHBondContact CA-O 3.2Å
220	G	95.9	Very high	96.6	Very high	7 Å²	7	39.5 Å²	39.5	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.5	-175.8	0	0	0	0	0	113.1	R200 A447 T535	R200-G220 CarbonylContact O-C 3.45Å; R200-G220 WeakPolarHBondContact O-CA 3.13Å; G220-A447 VanDerWaalsContact O-CB 3.28Å; G220-A447 WeakPolarHBondContact O-CB 3.38Å; G220-T535 PolarHBondContact N-O 3Å; G220-T535 VanDerWaalsContact O-CA 3.29Å; G220-T535 WeakPolarHBondContact O-CA 3.24Å
221	D	95.2	Very high	96.9	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	65.5	175.5	-179.9	29.7	0	0	0	110.9	R200 R490	R200-D221 HydrophobicContact CB-CB 4.17Å; R200-D221 HydrophobicContact CG-CB 4.45Å; R200-D221 IonicContact NE-OD2 3.65Å; R200-D221 PolarHBondContact NE-OD2 3.33Å; R200-D221 PolarHBondContact NH2-O 3.43Å; R200-D221 PolarHBondContact O-N 3.41Å; D221-R490 IonicContact OD1-CZ 3.84Å; D221-R490 IonicContact OD1-NH1 3.08Å; D221-R490 PolarHBondContact OD1-NH1 2.82Å; D221-R490 IonicContact OD1-NH2 2.88Å; D221-R490 PolarHBondContact OD1-NH2 2.83Å; D221-R490 IonicContact OD2-NH1 3.41Å
222	G	95.2	Very high	97	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	62.3	-177.3	0	0	0	0	0	111.6
223	I	97.2	Very high	97	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.6	-173.7	-53.7	-56.7	0	0	0	110.3	R200 F201 V227 V228 G533 V534	R200-I223 HydrophobicContact CB-CD1 4.03Å; F201-I223 HydrophobicContact CB-CD1 4.18Å; F201-I223 HydrophobicContact CB-CG1 4.05Å; F201-I223 HydrophobicContact CD2-CB 4.32Å; F201-I223 HydrophobicContact CD2-CG1 3.67Å; F201-I223 HydrophobicContact CD2-CG2 4.48Å; F201-I223 HydrophobicContact CE2-CG1 4.41Å; F201-I223 HydrophobicContact CG-CG1 4.09Å; I223-V227 HydrophobicContact CG2-CB 3.96Å; I223-V227 HydrophobicContact CG2-CG1 3.87Å; I223-V228 HydrophobicContact CB-CG2 3.97Å; I223-V228 HydrophobicContact CG2-CG2 3.65Å; I223-G533 CarbonylContact O-C 3.52Å; I223-G533 WeakPolarHBondContact O-CA 3.37Å; I223-V534 PolarHBondContact N-O 3.36Å; I223-V534 PolarHBondContact O-N 2.97Å
224	P	96.8	Very high	96.9	Very high	60 Å²	60	29.7 Å²	29.7	39%	0.39	16%	0.158	S	C	.	.			trans	-56.6	142.8	176.1	-27.8	36.9	0	0	0	112.9	D226 V227 V228	P224-D226 VanDerWaalsContact C-N 3.32Å; P224-D226 WeakPolarHBondContact CB-OD1 3.49Å; P224-D226 PolarHBondContact O-N 3.33Å; P224-V227 HydrophobicContact CB-CG2 4.15Å; P224-V227 HydrophobicContact CG-CG2 4.43Å; P224-V227 WeakPolarHBondContact O-CB 3.28Å; P224-V227 PolarHBondContact O-N 3.34Å; P224-V227 VanDerWaalsContact O-N 3.07Å; P224-V228 PolarHBondContact O-N 3Å
225	T	96.5	Very high	96.9	Very high	32 Å²	32	29.6 Å²	29.6	20%	0.196	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-39.1	-173.6	-55.7	0	0	0	0	113.3	V228 R229 I556 E557	T225-V228 PolarHBondContact O-N 2.83Å; T225-R229 WeakPolarHBondContact O-CG 3.48Å; T225-R229 PolarHBondContact O-N 2.85Å; T225-I556 HydrophobicContact CG2-CG2 3.73Å; T225-E557 HydrophobicContact CG2-CG 4.37Å
226	D	96.4	Very high	96.9	Very high	93 Å²	93	29.9 Å²	29.9	50%	0.497	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-42.4	174.7	62	-44.9	0	0	0	112.5	P224 R229 H230	P224-D226 VanDerWaalsContact C-N 3.32Å; P224-D226 WeakPolarHBondContact CB-OD1 3.49Å; P224-D226 PolarHBondContact O-N 3.33Å; D226-R229 PolarHBondContact O-N 3.02Å; D226-H230 PolarHBondContact O-N 3.47Å
227	V	96.8	Very high	96.8	Very high	38 Å²	38	34.6 Å²	34.6	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-39.7	175.9	-179.7	0	0	0	0	111.1	L182 I223 P224 H230 C231	L182-V227 HydrophobicContact CD1-CG1 3.96Å; L182-V227 HydrophobicContact CD2-CG1 3.96Å; I223-V227 HydrophobicContact CG2-CB 3.96Å; I223-V227 HydrophobicContact CG2-CG1 3.87Å; P224-V227 HydrophobicContact CB-CG2 4.15Å; P224-V227 HydrophobicContact CG-CG2 4.43Å; P224-V227 WeakPolarHBondContact O-CB 3.28Å; P224-V227 PolarHBondContact O-N 3.34Å; P224-V227 VanDerWaalsContact O-N 3.07Å; V227-H230 PolarHBondContact O-N 3.03Å; V227-C231 PolarHBondContact O-N 3.12Å; V227-C231 PolarHBondContact O-SG 3.05Å; V227-C231 VanDerWaalsContact O-SG 3.34Å
228	V	97.5	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-47.8	174.2	175	0	0	0	0	110.8	F201 I223 P224 T225 H230 C231 A232 V534 M537 I556	F201-V228 HydrophobicContact CE2-CG2 4.37Å; F201-V228 HydrophobicContact CZ-CG1 4.24Å; F201-V228 HydrophobicContact CZ-CG2 4.19Å; I223-V228 HydrophobicContact CB-CG2 3.97Å; I223-V228 HydrophobicContact CG2-CG2 3.65Å; P224-V228 PolarHBondContact O-N 3Å; T225-V228 PolarHBondContact O-N 2.83Å; V228-H230 PolarHBondContact O-N 3.09Å; V228-C231 PolarHBondContact O-N 3.24Å; V228-A232 PolarHBondContact O-N 2.83Å; V228-V534 HydrophobicContact CG2-CB 4.1Å; V228-V534 HydrophobicContact CG2-CG2 4.16Å; V228-M537 HydrophobicContact CG1-CE 3.38Å; V228-M537 HydrophobicContact CG1-SD 3.97Å; V228-I556 HydrophobicContact CG1-CD1 4.16Å
229	R	96.7	Very high	96.7	Very high	85 Å²	85	35.2 Å²	35.2	32%	0.321	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-42.7	178.6	-69	-175.6	-64.2	163.5	7	111.7	T225 D226 A232 Q233 M553 I556 E557	T225-R229 WeakPolarHBondContact O-CG 3.48Å; T225-R229 PolarHBondContact O-N 2.85Å; D226-R229 PolarHBondContact O-N 3.02Å; R229-A232 PolarHBondContact O-N 2.93Å; R229-Q233 WeakPolarHBondContact O-CG 3.48Å; R229-Q233 PolarHBondContact O-N 3.49Å; R229-M553 HydrophobicContact CB-SD 3.84Å; R229-M553 HydrophobicContact CG-SD 3.59Å; R229-M553 VanDerWaalsContact CG-SD 3.59Å; R229-I556 HydrophobicContact CG-CD1 4.46Å; R229-E557 IonicContact CZ-OE1 3.66Å; R229-E557 IonicContact NE-OE1 3.36Å; R229-E557 IonicContact NH1-OE1 3.48Å; R229-E557 PolarHBondContact NH1-OE1 2.88Å
230	H	96.8	Very high	96.6	Very high	100 Å²	100	40 Å²	40	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-44.2	176.8	-175.4	54.6	0	0	0	112.4	P187 D226 V227 V228 A232 Q233 C234	P187-H230 VanDerWaalsContact CG-CD2 3.43Å; P187-H230 WeakPolarHBondContact CG-CD2 3.5Å; D226-H230 PolarHBondContact O-N 3.47Å; V227-H230 PolarHBondContact O-N 3.03Å; V228-H230 PolarHBondContact O-N 3.09Å; H230-A232 VanDerWaalsContact C-N 3.33Å; H230-A232 PolarHBondContact O-N 3.14Å; H230-Q233 PolarHBondContact O-N 3.38Å; H230-C234 PolarHBondContact O-N 3.07Å
231	C	97.8	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-39.9	174.4	-72.5	0	0	0	0	112.4	V180 F201 L203 V227 V228 C234 A235	V180-C231 HydrophobicContact CG1-CB 3.87Å; F201-C231 HydrophobicContact CD1-CB 4.15Å; F201-C231 HydrophobicContact CE1-CB 3.69Å; L203-C231 HydrophobicContact CD2-CB 4.11Å; V227-C231 PolarHBondContact O-N 3.12Å; V227-C231 PolarHBondContact O-SG 3.05Å; V227-C231 VanDerWaalsContact O-SG 3.34Å; V228-C231 PolarHBondContact O-N 3.24Å; C231-C234 PolarHBondContact O-N 3.36Å; C231-A235 PolarHBondContact O-N 3.42Å
232	A	97.6	Very high	96.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-41.7	177	0	0	0	0	0	112.4	L203 L205 V228 R229 H230 C234 A235 L236 F552 M553	L203-A232 HydrophobicContact CD2-CB 4.26Å; L205-A232 HydrophobicContact CD1-CB 4.31Å; V228-A232 PolarHBondContact O-N 2.83Å; R229-A232 PolarHBondContact O-N 2.93Å; H230-A232 VanDerWaalsContact C-N 3.33Å; H230-A232 PolarHBondContact O-N 3.14Å; A232-C234 VanDerWaalsContact C-N 3.35Å; A232-C234 PolarHBondContact O-N 3.2Å; A232-A235 WeakPolarHBondContact O-CB 3.18Å; A232-A235 PolarHBondContact O-N 3.01Å; A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.22Å; A232-F552 HydrophobicContact CB-CE1 3.85Å; A232-M553 HydrophobicContact CB-CE 3.91Å
233	Q	97	Very high	96.9	Very high	86 Å²	86	40.2 Å²	40.2	40%	0.402	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-45.7	173.6	-72.2	171.6	-12.6	0	0	111.5	R229 H230 A235 L236 D237 M553	R229-Q233 WeakPolarHBondContact O-CG 3.48Å; R229-Q233 PolarHBondContact O-N 3.49Å; H230-Q233 PolarHBondContact O-N 3.38Å; Q233-A235 VanDerWaalsContact C-N 3.3Å; Q233-A235 PolarHBondContact O-N 3.07Å; Q233-L236 WeakPolarHBondContact O-CB 3.43Å; Q233-L236 PolarHBondContact O-N 2.79Å; Q233-L236 VanDerWaalsContact O-N 3.15Å; Q233-D237 VanDerWaalsContact O-CG 3.28Å; Q233-D237 PolarHBondContact O-N 2.74Å; Q233-M553 HydrophobicContact CG-CE 3.93Å
234	C	96.7	Very high	96.9	Very high	27 Å²	27	45.1 Å²	45.1	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-39.6	176.9	-175.8	0	0	0	0	112.6	P187 V189 H230 C231 A232 S238	P187-C234 HydrophobicContact CB-CB 4.15Å; P187-C234 HydrophobicContact CG-CB 4.49Å; V189-C234 WeakPolarHBondContact CG2-SG 3.47Å; H230-C234 PolarHBondContact O-N 3.07Å; C231-C234 PolarHBondContact O-N 3.36Å; A232-C234 VanDerWaalsContact C-N 3.35Å; A232-C234 PolarHBondContact O-N 3.2Å; C234-S238 WeakPolarHBondContact O-CB 3.39Å; C234-S238 PolarHBondContact O-N 2.83Å; C234-S238 VanDerWaalsContact O-N 3.1Å; C234-S238 PolarHBondContact O-OG 2.94Å
235	A	97.5	Very high	96.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-47	174.5	0	0	0	0	0	111.7	V178 V180 L205 C231 A232 Q233 D237 S238 S239	V178-A235 HydrophobicContact CB-CB 4.29Å; V178-A235 HydrophobicContact CG1-CB 4.27Å; V180-A235 HydrophobicContact CG2-CB 3.72Å; L205-A235 HydrophobicContact CB-CB 4Å; L205-A235 HydrophobicContact CD1-CB 4.39Å; L205-A235 HydrophobicContact CD2-CB 4.3Å; L205-A235 HydrophobicContact CG-CB 4.47Å; C231-A235 PolarHBondContact O-N 3.42Å; A232-A235 WeakPolarHBondContact O-CB 3.18Å; A232-A235 PolarHBondContact O-N 3.01Å; Q233-A235 VanDerWaalsContact C-N 3.3Å; Q233-A235 PolarHBondContact O-N 3.07Å; A235-D237 PolarHBondContact O-N 2.72Å; A235-S238 PolarHBondContact O-N 2.95Å; A235-S239 PolarHBondContact O-N 2.98Å; A235-S239 PolarHBondContact O-OG 2.96Å; A235-S239 VanDerWaalsContact O-OG 3.13Å
236	L	97.2	Very high	97	Very high	5 Å²	5	41 Å²	41	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-41.8	179.5	-71.2	167.4	0	0	0	112.7	L205 R211 V213 A232 Q233 S238 S239 D549	L205-L236 HydrophobicContact CD1-CG 4.38Å; L205-L236 HydrophobicContact CD2-CD2 3.7Å; L205-L236 HydrophobicContact CD2-CG 4.13Å; R211-L236 HydrophobicContact CB-CD2 4.46Å; V213-L236 HydrophobicContact CG2-CD1 4.43Å; V213-L236 HydrophobicContact CG2-CD2 4.05Å; A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.22Å; Q233-L236 WeakPolarHBondContact O-CB 3.43Å; Q233-L236 PolarHBondContact O-N 2.79Å; Q233-L236 VanDerWaalsContact O-N 3.15Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.9Å; L236-S239 PolarHBondContact O-N 3.04Å; L236-D549 HydrophobicContact CD1-CB 3.49Å; L236-D549 VanDerWaalsContact CD1-CB 3.49Å
237	D	95.9	Very high	97	Very high	99 Å²	99	37.7 Å²	37.7	53%	0.529	20%	0.197	S	C	.	.	H	α-helix	trans	-62.2	-43.3	176.1	-65.9	-23.5	0	0	0	111	R211 Q233 A235 S239 K240	R211-D237 IonicContact CZ-OD1 2.7Å; R211-D237 IonicContact NH1-OD1 2.63Å; R211-D237 PolarHBondContact NH1-OD1 2.82Å; R211-D237 IonicContact NH2-OD1 3.25Å; Q233-D237 VanDerWaalsContact O-CG 3.28Å; Q233-D237 PolarHBondContact O-N 2.74Å; A235-D237 PolarHBondContact O-N 2.72Å; D237-S239 VanDerWaalsContact C-N 3.32Å; D237-S239 PolarHBondContact O-N 2.86Å; D237-K240 PolarHBondContact O-N 3.33Å
238	S	96	Very high	97	Very high	32 Å²	32	40.7 Å²	40.7	22%	0.224	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-27.3	-179.2	-58.4	0	0	0	0	113.2	V189 C234 A235 L236 K240	V189-S238 WeakPolarHBondContact CG2-OG 3.29Å; C234-S238 WeakPolarHBondContact O-CB 3.39Å; C234-S238 PolarHBondContact O-N 2.83Å; C234-S238 VanDerWaalsContact O-N 3.1Å; C234-S238 PolarHBondContact O-OG 2.94Å; A235-S238 PolarHBondContact O-N 2.95Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.9Å; S238-K240 VanDerWaalsContact C-N 3.25Å; S238-K240 PolarHBondContact O-N 3.37Å
239	S	97	Very high	97	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-27.5	178.4	-73.2	0	0	0	0	113.4	A176 V178 S207 A235 L236 D237 G241 I242 L243	A176-S239 WeakPolarHBondContact CB-O 3.41Å; V178-S239 WeakPolarHBondContact CG2-OG 3.47Å; S207-S239 WeakPolarHBondContact OG-CB 3.36Å; S207-S239 PolarHBondContact OG-OG 3.43Å; A235-S239 PolarHBondContact O-N 2.98Å; A235-S239 PolarHBondContact O-OG 2.96Å; A235-S239 VanDerWaalsContact O-OG 3.13Å; L236-S239 PolarHBondContact O-N 3.04Å; D237-S239 VanDerWaalsContact C-N 3.32Å; D237-S239 PolarHBondContact O-N 2.86Å; S239-G241 PolarHBondContact O-N 2.87Å; S239-I242 PolarHBondContact O-N 2.88Å; S239-I242 VanDerWaalsContact O-N 3.16Å; S239-L243 WeakPolarHBondContact O-CG 3.46Å; S239-L243 PolarHBondContact O-N 3.36Å; S239-L243 VanDerWaalsContact O-N 3.07Å
240	K	95.9	Very high	96.9	Very high	132 Å²	132	39.6 Å²	39.6	57%	0.574	21%	0.211	S	C	*	.	H	α-helix	trans	-56.3	-48.7	-174.8	-175.6	-178.6	175.5	-176.8	0	112.5	D237 S238 I242 L243 E244	D237-K240 PolarHBondContact O-N 3.33Å; S238-K240 VanDerWaalsContact C-N 3.25Å; S238-K240 PolarHBondContact O-N 3.37Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.49Å; K240-L243 PolarHBondContact O-N 2.81Å; K240-E244 WeakPolarHBondContact CE-OE1 3.14Å; K240-E244 WeakPolarHBondContact O-CG 3.13Å; K240-E244 PolarHBondContact O-N 2.62Å
241	G	95.9	Very high	96.9	Very high	27 Å²	27	40.9 Å²	40.9	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-62.4	-36.6	-179.4	0	0	0	0	0	112.7	V36 S239 A245	V36-G241 WeakPolarHBondContact CG2-O 3.35Å; S239-G241 PolarHBondContact O-N 2.87Å; G241-A245 WeakPolarHBondContact O-CB 3.38Å; G241-A245 PolarHBondContact O-N 3.1Å
242	I	97.8	Very high	96.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-44.6	177.4	-63.5	161.4	0	0	0	110.4	V36 V38 N158 A176 V178 S239 K240 E244 A245 I246	V36-I242 HydrophobicContact CG1-CG1 4.43Å; V38-I242 HydrophobicContact CB-CD1 4.49Å; V38-I242 HydrophobicContact CG1-CD1 3.84Å; V38-I242 HydrophobicContact CG1-CG1 4.4Å; V38-I242 HydrophobicContact CG2-CD1 3.82Å; V38-I242 HydrophobicContact CG2-CG1 3.54Å; N158-I242 HydrophobicContact CB-CG2 4.41Å; A176-I242 HydrophobicContact CB-CB 3.7Å; A176-I242 HydrophobicContact CB-CD1 4.38Å; A176-I242 HydrophobicContact CB-CG2 3.66Å; V178-I242 HydrophobicContact CG2-CD1 3.86Å; S239-I242 PolarHBondContact O-N 2.88Å; S239-I242 VanDerWaalsContact O-N 3.16Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.49Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 3.22Å; I242-A245 PolarHBondContact O-N 2.83Å; I242-I246 HydrophobicContact CG2-CD1 3.85Å; I242-I246 HydrophobicContact CG2-CG1 4.36Å; I242-I246 WeakPolarHBondContact O-CG1 3.5Å; I242-I246 PolarHBondContact O-N 3.17Å
243	L	97.7	Very high	96.5	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-45.5	178.2	-67.4	167.3	0	0	0	111.4	P174 A176 T208 S239 K240 A245 I246 G247	P174-L243 HydrophobicContact CB-CD2 4.33Å; P174-L243 HydrophobicContact CG-CD2 4.04Å; P174-L243 WeakPolarHBondContact O-CD2 3.47Å; A176-L243 HydrophobicContact CB-CD1 4.47Å; A176-L243 HydrophobicContact CB-CD2 3.75Å; A176-L243 HydrophobicContact CB-CG 3.66Å; T208-L243 VanDerWaalsContact C-CD1 3.44Å; T208-L243 VanDerWaalsContact O-CD1 3.28Å; T208-L243 WeakPolarHBondContact O-CD1 3.31Å; S239-L243 WeakPolarHBondContact O-CG 3.46Å; S239-L243 PolarHBondContact O-N 3.36Å; S239-L243 VanDerWaalsContact O-N 3.07Å; K240-L243 PolarHBondContact O-N 2.81Å; L243-A245 PolarHBondContact O-N 3.3Å; L243-I246 PolarHBondContact O-N 3.17Å; L243-G247 PolarHBondContact O-N 2.87Å
244	E	97.1	Very high	96.3	Very high	105 Å²	105	40.9 Å²	40.9	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-44.4	176.3	-71.4	175.3	-176	0	0	111.6	K240 I242 G247 N248	K240-E244 WeakPolarHBondContact CE-OE1 3.14Å; K240-E244 WeakPolarHBondContact O-CG 3.13Å; K240-E244 PolarHBondContact O-N 2.62Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 3.22Å; E244-G247 PolarHBondContact O-N 2.8Å; E244-N248 VanDerWaalsContact O-CG 3.22Å; E244-N248 PolarHBondContact O-N 3.46Å; E244-N248 PolarHBondContact O-ND2 2.97Å
245	A	97.5	Very high	96.2	Very high	7 Å²	7	43.7 Å²	43.7	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-44.8	177.1	0	0	0	0	0	112.3	V34 V36 G241 I242 L243 G247 N248 L249	V34-A245 HydrophobicContact CB-CB 4.42Å; V34-A245 HydrophobicContact CG2-CB 4.12Å; V36-A245 HydrophobicContact CB-CB 3.87Å; V36-A245 HydrophobicContact CG1-CB 4.15Å; V36-A245 HydrophobicContact CG2-CB 4.44Å; G241-A245 WeakPolarHBondContact O-CB 3.38Å; G241-A245 PolarHBondContact O-N 3.1Å; I242-A245 PolarHBondContact O-N 2.83Å; L243-A245 PolarHBondContact O-N 3.3Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 3.23Å; A245-N248 PolarHBondContact O-N 3.24Å; A245-L249 PolarHBondContact O-N 3.36Å
246	I	97.9	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-41.1	176.7	-64.4	173	0	0	0	110.8	L45 A162 A165 P174 I242 L243 N248 L249 Q250	L45-I246 HydrophobicContact CD1-CD1 4.42Å; L45-I246 HydrophobicContact CD1-CG1 3.71Å; A162-I246 HydrophobicContact CB-CD1 4.44Å; A162-I246 HydrophobicContact CB-CG1 4.12Å; A162-I246 HydrophobicContact CB-CG2 4.18Å; A165-I246 HydrophobicContact CB-CG2 3.74Å; P174-I246 HydrophobicContact CB-CB 4.03Å; P174-I246 HydrophobicContact CB-CD1 4.32Å; P174-I246 HydrophobicContact CB-CG2 3.5Å; P174-I246 VanDerWaalsContact CB-CG2 3.5Å; P174-I246 HydrophobicContact CG-CB 4.33Å; P174-I246 HydrophobicContact CG-CG2 4.08Å; I242-I246 HydrophobicContact CG2-CD1 3.85Å; I242-I246 HydrophobicContact CG2-CG1 4.36Å; I242-I246 WeakPolarHBondContact O-CG1 3.5Å; I242-I246 PolarHBondContact O-N 3.17Å; L243-I246 PolarHBondContact O-N 3.17Å; I246-N248 PolarHBondContact O-N 3.05Å; I246-L249 WeakPolarHBondContact O-CB 3.48Å; I246-L249 PolarHBondContact O-N 3.38Å; I246-Q250 PolarHBondContact O-N 3.17Å
247	G	97	Very high	95.6	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-57.8	-47.3	174.1	0	0	0	0	0	112.1	L243 E244 A245 L249 Q250 T251	L243-G247 PolarHBondContact O-N 2.87Å; E244-G247 PolarHBondContact O-N 2.8Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 3.23Å; G247-L249 VanDerWaalsContact C-N 3.32Å; G247-L249 PolarHBondContact O-N 3.01Å; G247-Q250 WeakPolarHBondContact O-CB 3.18Å; G247-Q250 PolarHBondContact O-N 3.39Å; G247-Q250 VanDerWaalsContact O-N 3.17Å; G247-T251 PolarHBondContact O-N 2.81Å; G247-T251 PolarHBondContact O-OG1 3.39Å
248	N	97	Very high	95.2	Very high	101 Å²	101	52.7 Å²	52.7	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-40.2	176.2	-69.9	-26.4	0	0	0	112.3	V34 E244 A245 I246 T251 S252	V34-N248 HydrophobicContact CG1-CB 4.16Å; E244-N248 VanDerWaalsContact O-CG 3.22Å; E244-N248 PolarHBondContact O-N 3.46Å; E244-N248 PolarHBondContact O-ND2 2.97Å; A245-N248 PolarHBondContact O-N 3.24Å; I246-N248 PolarHBondContact O-N 3.05Å; N248-T251 PolarHBondContact O-N 2.69Å; N248-S252 WeakPolarHBondContact O-CB 3.25Å; N248-S252 PolarHBondContact O-N 3.39Å; N248-S252 PolarHBondContact O-OG 2.87Å; N248-S252 VanDerWaalsContact O-OG 3.11Å
249	L	96.6	Very high	94.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-43.3	175.5	-166.7	69	0	0	0	111.1	V34 L45 T47 V58 A162 A245 I246 G247 S252 A253	V34-L249 HydrophobicContact CG1-CB 3.99Å; V34-L249 HydrophobicContact CG1-CD1 4.08Å; V34-L249 HydrophobicContact CG2-CB 3.99Å; V34-L249 HydrophobicContact CG2-CD1 4.21Å; V34-L249 HydrophobicContact CG2-CD2 4.4Å; V34-L249 HydrophobicContact CG2-CG 4.43Å; L45-L249 HydrophobicContact CB-CD2 4.06Å; T47-L249 HydrophobicContact CG2-CD1 3.94Å; T47-L249 HydrophobicContact CG2-CD2 4.45Å; T47-L249 HydrophobicContact CG2-CG 4.16Å; V58-L249 HydrophobicContact CG2-CD2 4.22Å; A162-L249 HydrophobicContact CB-CD2 4.21Å; A245-L249 PolarHBondContact O-N 3.36Å; I246-L249 WeakPolarHBondContact O-CB 3.48Å; I246-L249 PolarHBondContact O-N 3.38Å; G247-L249 VanDerWaalsContact C-N 3.32Å; G247-L249 PolarHBondContact O-N 3.01Å; L249-S252 PolarHBondContact O-N 3.15Å; L249-S252 PolarHBondContact O-OG 2.85Å; L249-A253 PolarHBondContact O-N 3.28Å
250	Q	95.8	Very high	93.1	Very high	62 Å²	62	58.4 Å²	58.4	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-43.6	176.3	-178	178.9	5.2	0	0	112.1	A165 I246 G247 S252 G254	A165-Q250 HydrophobicContact CB-CB 4.32Å; A165-Q250 HydrophobicContact CB-CG 4.5Å; A165-Q250 WeakPolarHBondContact O-CG 3.33Å; A165-Q250 PolarHBondContact O-NE2 2.89Å; I246-Q250 PolarHBondContact O-N 3.17Å; G247-Q250 WeakPolarHBondContact O-CB 3.18Å; G247-Q250 PolarHBondContact O-N 3.39Å; G247-Q250 VanDerWaalsContact O-N 3.17Å; Q250-S252 VanDerWaalsContact C-N 3.29Å; Q250-S252 PolarHBondContact O-N 3.41Å; Q250-G254 WeakPolarHBondContact O-CA 3.45Å; Q250-G254 PolarHBondContact O-N 2.86Å
251	T	95.5	Very high	91.7	Very high	127 Å²	127	55.9 Å²	55.9	78%	0.779	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-37.8	176.5	-58.1	0	0	0	0	111.9	G247 N248	G247-T251 PolarHBondContact O-N 2.81Å; G247-T251 PolarHBondContact O-OG1 3.39Å; N248-T251 PolarHBondContact O-N 2.69Å
252	S	94.2	Very high	89.8	Confident	39 Å²	39	60 Å²	60	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-80.1	-32.9	-174.5	66.1	0	0	0	0	114.7	S32 N248 L249 Q250	S32-S252 WeakPolarHBondContact CB-OG 3.48Å; S32-S252 WeakPolarHBondContact OG-CB 3.46Å; S32-S252 PolarHBondContact OG-OG 3.21Å; N248-S252 WeakPolarHBondContact O-CB 3.25Å; N248-S252 PolarHBondContact O-N 3.39Å; N248-S252 PolarHBondContact O-OG 2.87Å; N248-S252 VanDerWaalsContact O-OG 3.11Å; L249-S252 PolarHBondContact O-N 3.15Å; L249-S252 PolarHBondContact O-OG 2.85Å; Q250-S252 VanDerWaalsContact C-N 3.29Å; Q250-S252 PolarHBondContact O-N 3.41Å
253	A	94.2	Very high	88	Confident	17 Å²	17	63.1 Å²	63.1	14%	0.14	37%	0.372	C	S	.	.	H	α-helix	trans	-141.9	4.2	-171.4	0	0	0	0	0	114.9	T47 L249	T47-A253 HydrophobicContact CG2-CB 3.53Å; L249-A253 PolarHBondContact O-N 3.28Å
254	G	92.2	Very high	86.2	Confident	31 Å²	31	63 Å²	63	32%	0.32	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-69.7	143.7	179.5	0	0	0	0	0	113.1	Q250	Q250-G254 WeakPolarHBondContact O-CA 3.45Å; Q250-G254 PolarHBondContact O-N 2.86Å
255	K	93.4	Very high	85	Confident	86 Å²	86	62.6 Å²	62.6	37%	0.374	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-84	152.9	173.3	-65.6	166.9	179.3	176	0	110.1	A54 D55 C166 P168 K257	A54-K255 PolarHBondContact O-NZ 2.99Å; A54-K255 VanDerWaalsContact O-NZ 3.13Å; D55-K255 WeakPolarHBondContact O-CD 3.41Å; D55-K255 WeakPolarHBondContact O-CE 3.18Å; D55-K255 PolarHBondContact O-NZ 3.24Å; C166-K255 PolarHBondContact O-N 2.91Å; P168-K255 HydrophobicContact CB-CB 4.25Å; P168-K255 HydrophobicContact CG-CD 4.48Å; K255-K257 PolarHBondContact O-N 2.68Å
256	Q	91.5	Very high	84.1	Confident	183 Å²	183	63 Å²	63	86%	0.855	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.8	130.5	174.6	-174.2	176.2	2.2	0	0	110.2	P168	P168-Q256 WeakPolarHBondContact CA-O 3.46Å; P168-Q256 VanDerWaalsContact CB-O 3.26Å; P168-Q256 WeakPolarHBondContact CB-O 3.43Å
257	K	91.4	Very high	83.5	Confident	56 Å²	56	64.8 Å²	64.8	24%	0.243	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-65.5	139.5	177.2	-59.8	-64.7	178.9	-176	0	110.3	L164 A165 S167 P168 I169 K255	L164-K257 PolarHBondContact O-NZ 2.73Å; A165-K257 WeakPolarHBondContact O-CE 3.48Å; A165-K257 PolarHBondContact O-NZ 3.27Å; S167-K257 WeakPolarHBondContact O-CE 3.49Å; S167-K257 PolarHBondContact O-NZ 2.98Å; P168-K257 CarbonylContact O-C 3.55Å; P168-K257 WeakPolarHBondContact O-CA 3.25Å; I169-K257 VanDerWaalsContact O-CD 3.29Å; I169-K257 WeakPolarHBondContact O-CD 3.21Å; I169-K257 PolarHBondContact O-NZ 3.39Å; K255-K257 PolarHBondContact O-N 2.68Å
258	R	87.1	Confident	83.1	Confident	55 Å²	55	71.1 Å²	71.1	21%	0.208	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-63.2	145	171.6	-68.1	169.3	-167.6	164.7	5.3	109	D55 G73 K74 P168	D55-R258 VanDerWaalsContact CG-NH2 3.33Å; D55-R258 IonicContact OD1-NH2 3.7Å; D55-R258 PolarHBondContact OD1-NH2 2.81Å; D55-R258 IonicContact OD2-NH2 3.7Å; D55-R258 PolarHBondContact OD2-NH2 2.98Å; G73-R258 PolarHBondContact O-NH1 3.09Å; G73-R258 PolarHBondContact O-NH2 3.18Å; K74-R258 PolarHBondContact O-NH1 3.03Å; P168-R258 HydrophobicContact CB-CG 4.26Å; P168-R258 VanDerWaalsContact O-CG 3.31Å; P168-R258 WeakPolarHBondContact O-CG 3.48Å; P168-R258 PolarHBondContact O-N 2.68Å
259	S	79.3	Confident	82.8	Confident	107 Å²	107	71 Å²	71	75%	0.748	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-68.8	146.1	171.2	50	0	0	0	0	110.3
260	S	70.3	Confident	82.6	Confident	45 Å²	45	71.1 Å²	71.1	32%	0.315	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-65.8	151.1	168.9	65.2	0	0	0	0	110.6	E132 P262	E132-S260 WeakPolarHBondContact OE2-CB 3.29Å; E132-S260 PolarHBondContact OE2-OG 2.88Å; S260-P262 VanDerWaalsContact O-CD 3.31Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å
261	N	66.1	Low	82.5	Confident	80 Å²	80	70.8 Å²	70.8	43%	0.428	42%	0.415	S	S	.	.			trans	-88.8	111	172.6	-83.8	-26.3	0	0	0	108.1	G263	N261-G263 PolarHBondContact O-N 2.91Å
262	P	56.2	Low	82.4	Confident	113 Å²	113	68.5 Å²	68.5	73%	0.734	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-67.2	-17.2	-175.2	23.4	-32	0	0	0	113.9	S260 C264	S260-P262 VanDerWaalsContact O-CD 3.31Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å; P262-C264 PolarHBondContact O-N 3.26Å
263	G	58.9	Low	82.4	Confident	65 Å²	65	67.8 Å²	67.8	67%	0.67	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-70.6	15.2	178.6	0	0	0	0	0	115.5	N261 Q322	N261-G263 PolarHBondContact O-N 2.91Å; G263-Q322 PolarHBondContact O-NE2 2.97Å
264	C	61.4	Low	82.5	Confident	22 Å²	22	67 Å²	67	15%	0.149	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-109.9	7	-177.9	-78.5	0	0	0	0	113.7	Y134 P262 Q322	Y134-C264 HydrophobicContact CD2-CB 4.2Å; Y134-C264 HydrophobicContact CE2-CB 3.96Å; P262-C264 PolarHBondContact O-N 3.26Å; C264-Q322 VanDerWaalsContact C-NE2 3.28Å
265	Q	71.1	Confident	82.7	Confident	96 Å²	96	69.6 Å²	69.6	45%	0.449	39%	0.386	S	S	.	.	S	Bend	trans	-112.3	132.9	177.3	-71	-68.2	-69.6	0	0	111.5	G267 Q322	Q265-G267 PolarHBondContact O-N 2.8Å; Q265-Q322 VanDerWaalsContact C-CD 3.46Å; Q265-Q322 PolarHBondContact O-NE2 2.91Å; Q265-Q322 PolarHBondContact O-OE1 3.03Å
266	P	78.6	Confident	82.8	Confident	16 Å²	16	73.8 Å²	73.8	10%	0.104	41%	0.407	C	S	.	.			trans	-50.8	128.6	173.2	-23.7	31.3	0	0	0	112	L270 I271 Q322 E325	P266-L270 HydrophobicContact CB-CD2 4.18Å; P266-I271 HydrophobicContact CB-CD1 4.03Å; P266-I271 HydrophobicContact CB-CG1 3.76Å; P266-I271 WeakPolarHBondContact O-CD1 3.48Å; P266-Q322 HydrophobicContact CB-CB 4.34Å; P266-Q322 HydrophobicContact CG-CB 4.17Å; P266-E325 HydrophobicContact CG-CB 4.28Å; P266-E325 HydrophobicContact CG-CG 4.11Å
267	G	85.2	Confident	82.9	Confident	38 Å²	38	69.3 Å²	69.3	39%	0.392	38%	0.383	S	S	.	.			trans	-62.7	148	173.1	0	0	0	0	0	112	Q265 N269 L270 I271	Q265-G267 PolarHBondContact O-N 2.8Å; G267-N269 PolarHBondContact O-N 2.77Å; G267-L270 WeakPolarHBondContact O-CB 3.26Å; G267-L270 PolarHBondContact O-N 3.37Å; G267-L270 VanDerWaalsContact O-N 3.08Å; G267-I271 WeakPolarHBondContact O-CG1 3.37Å; G267-I271 PolarHBondContact O-N 3.01Å; G267-I271 VanDerWaalsContact O-N 3.08Å
268	E	89.3	Confident	83.2	Confident	155 Å²	155	66.7 Å²	66.7	72%	0.724	37%	0.371	S	S	*	.	H	α-helix	trans	-56.9	-37	-178.5	-73.2	-171.7	164.1	0	0	113.1	I271 N272	E268-I271 PolarHBondContact O-N 2.84Å; E268-N272 WeakPolarHBondContact O-CB 3.26Å; E268-N272 VanDerWaalsContact O-CG 3.27Å; E268-N272 PolarHBondContact O-N 3.44Å; E268-N272 PolarHBondContact O-ND2 2.97Å
269	N	90.9	Very high	83.6	Confident	99 Å²	99	66.5 Å²	66.5	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-48.2	175.8	-76.2	-12.1	0	0	0	111.5	G267 I271 N272 T273	G267-N269 PolarHBondContact O-N 2.77Å; N269-I271 PolarHBondContact O-N 3.26Å; N269-N272 PolarHBondContact O-N 3.05Å; N269-T273 WeakPolarHBondContact O-CB 3.2Å; N269-T273 PolarHBondContact O-N 2.93Å; N269-T273 PolarHBondContact O-OG1 2.91Å
270	L	92.1	Very high	84.4	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-59.5	-48.7	176.8	174.2	66.7	0	0	0	110.9	P266 G267 N272 T273 V274 V311 L315 E319 Q322	P266-L270 HydrophobicContact CB-CD2 4.18Å; G267-L270 WeakPolarHBondContact O-CB 3.26Å; G267-L270 PolarHBondContact O-N 3.37Å; G267-L270 VanDerWaalsContact O-N 3.08Å; L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 3.49Å; L270-T273 PolarHBondContact O-N 3.27Å; L270-V274 HydrophobicContact CD1-CG2 3.85Å; L270-V274 HydrophobicContact CG-CG2 4.32Å; L270-V274 WeakPolarHBondContact O-CB 3.4Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.5Å; L270-V311 HydrophobicContact CD1-CG1 3.57Å; L270-L315 HydrophobicContact CB-CD1 4.14Å; L270-L315 HydrophobicContact CD1-CD1 4.05Å; L270-E319 WeakPolarHBondContact CD2-O 3.28Å; L270-Q322 HydrophobicContact CD2-CB 4.11Å
271	I	93	Very high	85.7	Confident	54 Å²	54	65.6 Å²	65.6	28%	0.277	37%	0.365	S	S	.	.	H	α-helix	trans	-57.1	-46.2	-179.8	-64.9	170.5	0	0	0	110.7	P266 G267 E268 N269 R275	P266-I271 HydrophobicContact CB-CD1 4.03Å; P266-I271 HydrophobicContact CB-CG1 3.76Å; P266-I271 WeakPolarHBondContact O-CD1 3.48Å; G267-I271 WeakPolarHBondContact O-CG1 3.37Å; G267-I271 PolarHBondContact O-N 3.01Å; G267-I271 VanDerWaalsContact O-N 3.08Å; E268-I271 PolarHBondContact O-N 2.84Å; N269-I271 PolarHBondContact O-N 3.26Å; I271-R275 VanDerWaalsContact O-CB 3.25Å; I271-R275 WeakPolarHBondContact O-CB 3.32Å; I271-R275 PolarHBondContact O-N 3.11Å
272	N	94.6	Very high	87.1	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-68.3	-43.8	-178.1	-71.7	-28.6	0	0	0	111.9	E268 N269 L270 R275 Q276	E268-N272 WeakPolarHBondContact O-CB 3.26Å; E268-N272 VanDerWaalsContact O-CG 3.27Å; E268-N272 PolarHBondContact O-N 3.44Å; E268-N272 PolarHBondContact O-ND2 2.97Å; N269-N272 PolarHBondContact O-N 3.05Å; L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 3.49Å; N272-R275 PolarHBondContact O-N 2.82Å; N272-Q276 WeakPolarHBondContact O-CB 3.29Å; N272-Q276 PolarHBondContact O-N 2.97Å
273	T	94.3	Very high	89	Confident	23 Å²	23	58.6 Å²	58.6	14%	0.141	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-45.7	177.5	-56.5	0	0	0	0	111.4	N269 L270 R275 Q276 Y277 V311 I314	N269-T273 WeakPolarHBondContact O-CB 3.2Å; N269-T273 PolarHBondContact O-N 2.93Å; N269-T273 PolarHBondContact O-OG1 2.91Å; L270-T273 PolarHBondContact O-N 3.27Å; T273-R275 PolarHBondContact O-N 3.5Å; T273-Q276 PolarHBondContact O-N 2.9Å; T273-Y277 PolarHBondContact O-N 3.32Å; T273-Y277 VanDerWaalsContact O-N 3.15Å; T273-V311 HydrophobicContact CG2-CG2 4.05Å; T273-I314 HydrophobicContact CG2-CD1 4.25Å
274	V	95.8	Very high	90.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-46.6	176	170	0	0	0	0	110.6	L270 Y277 A278 T307 V311 F323 F327 L330	L270-V274 HydrophobicContact CD1-CG2 3.85Å; L270-V274 HydrophobicContact CG-CG2 4.32Å; L270-V274 WeakPolarHBondContact O-CB 3.4Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.37Å; L270-V274 PolarHBondContact O-N 3.5Å; V274-Y277 PolarHBondContact O-N 3.3Å; V274-A278 VanDerWaalsContact O-CB 3.31Å; V274-A278 WeakPolarHBondContact O-CB 3.36Å; V274-A278 PolarHBondContact O-N 2.9Å; V274-T307 HydrophobicContact CG1-CG2 4.39Å; V274-V311 HydrophobicContact CG2-CG2 3.85Å; V274-F323 HydrophobicContact CG2-CD2 3.87Å; V274-F323 HydrophobicContact CG2-CE2 3.97Å; V274-F327 HydrophobicContact CG1-CB 4.45Å; V274-F327 HydrophobicContact CG1-CD2 4.1Å; V274-L330 HydrophobicContact CG1-CD2 3.98Å
275	R	95.3	Very high	92.4	Very high	86 Å²	86	60.1 Å²	60.1	33%	0.325	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-48.3	178.4	-174.5	-175.8	-62.8	147.1	2.2	111.7	I271 N272 T273 Y277 E279 L330	I271-R275 VanDerWaalsContact O-CB 3.25Å; I271-R275 WeakPolarHBondContact O-CB 3.32Å; I271-R275 PolarHBondContact O-N 3.11Å; N272-R275 PolarHBondContact O-N 2.82Å; T273-R275 PolarHBondContact O-N 3.5Å; R275-Y277 VanDerWaalsContact C-N 3.28Å; R275-Y277 PolarHBondContact O-N 3.24Å; R275-E279 WeakPolarHBondContact CD-OE2 3.19Å; R275-E279 HydrophobicContact CG-CB 4.06Å; R275-E279 HydrophobicContact CG-CG 4.47Å; R275-E279 WeakPolarHBondContact CG-OE2 3.38Å; R275-E279 WeakPolarHBondContact O-CB 3.31Å; R275-E279 PolarHBondContact O-N 3.39Å; R275-L330 HydrophobicContact CB-CD1 4.38Å; R275-L330 HydrophobicContact CG-CD1 4.14Å
276	Q	95.5	Very high	93.4	Very high	174 Å²	174	55.6 Å²	55.6	81%	0.813	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-37.9	-176.6	-175.3	176	-2	0	0	112.4	N272 T273	N272-Q276 WeakPolarHBondContact O-CB 3.29Å; N272-Q276 PolarHBondContact O-N 2.97Å; T273-Q276 PolarHBondContact O-N 2.9Å
277	Y	95.3	Very high	94.1	Very high	89 Å²	89	58 Å²	58	35%	0.349	31%	0.305	S	S	.	.	H	α-helix	trans	-81.3	-45.2	-179.9	-168.9	-94.8	0	0	0	112.7	T273 V274 R275 E306 T307 H310	T273-Y277 PolarHBondContact O-N 3.32Å; T273-Y277 VanDerWaalsContact O-N 3.15Å; V274-Y277 PolarHBondContact O-N 3.3Å; R275-Y277 VanDerWaalsContact C-N 3.28Å; R275-Y277 PolarHBondContact O-N 3.24Å; Y277-E306 HydrophobicContact CE1-CB 4.38Å; Y277-T307 HydrophobicContact CD1-CG2 3.93Å; Y277-H310 HydrophobicContact CD2-CB 4.18Å; Y277-H310 AromaticContact CD2-CD2 3.09Å; Y277-H310 WeakPolarHBondContact CD2-CD2 3.29Å; Y277-H310 AromaticContact CD2-CE1 3.97Å; Y277-H310 AromaticContact CD2-CG 3.55Å; Y277-H310 AromaticContact CD2-NE2 3.4Å; Y277-H310 WeakPolarHBondContact CD2-NE2 3.5Å; Y277-H310 HydrophobicContact CE1-CB 4.29Å; Y277-H310 HydrophobicContact CE2-CB 3.94Å; Y277-H310 AromaticContact CE2-CD2 3.61Å; Y277-H310 AromaticContact CE2-CG 3.53Å; Y277-H310 AromaticContact CE2-ND1 3.84Å; Y277-H310 AromaticContact CE2-NE2 3.92Å; Y277-H310 HydrophobicContact CG-CB 4.43Å; Y277-H310 AromaticContact CG-CD2 3.55Å
278	A	97.1	Very high	94.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-101.6	-17	-165.6	0	0	0	0	0	115.1	V274 S280 P281 L282 L303 T307 F327 L330	V274-A278 VanDerWaalsContact O-CB 3.31Å; V274-A278 WeakPolarHBondContact O-CB 3.36Å; V274-A278 PolarHBondContact O-N 2.9Å; A278-S280 PolarHBondContact O-N 3.29Å; A278-P281 WeakPolarHBondContact O-CD 3.42Å; A278-L282 WeakPolarHBondContact O-CB 3.5Å; A278-L282 PolarHBondContact O-N 3.17Å; A278-L303 HydrophobicContact CB-CD1 4.38Å; A278-L303 HydrophobicContact CB-CD2 4.41Å; A278-L303 HydrophobicContact CB-CG 4.42Å; A278-T307 HydrophobicContact CB-CG2 3.97Å; A278-F327 HydrophobicContact CB-CD2 4.49Å; A278-F327 HydrophobicContact CB-CE2 3.9Å; A278-L330 HydrophobicContact CB-CD2 3.73Å
279	E	96.1	Very high	94.7	Very high	51 Å²	51	55.2 Å²	55.2	24%	0.238	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-46.5	-172.8	-172.1	170.5	-152.3	0	0	112.2	R275 L282 V283 L330 K337	R275-E279 WeakPolarHBondContact CD-OE2 3.19Å; R275-E279 HydrophobicContact CG-CB 4.06Å; R275-E279 HydrophobicContact CG-CG 4.47Å; R275-E279 WeakPolarHBondContact CG-OE2 3.38Å; R275-E279 WeakPolarHBondContact O-CB 3.31Å; R275-E279 PolarHBondContact O-N 3.39Å; E279-L282 PolarHBondContact O-N 3.4Å; E279-V283 VanDerWaalsContact O-CG2 3.25Å; E279-V283 WeakPolarHBondContact O-CG2 3.27Å; E279-V283 PolarHBondContact O-N 2.98Å; E279-L330 HydrophobicContact CB-CD1 4.2Å; E279-L330 HydrophobicContact CG-CD1 4.31Å; E279-K337 IonicContact OE1-NZ 2.9Å; E279-K337 PolarHBondContact OE1-NZ 3.48Å
280	S	96.5	Very high	94.8	Very high	83 Å²	83	55.4 Å²	55.4	58%	0.58	29%	0.292	S	S	*	.	H	α-helix	trans	-65.9	-52.2	-179	-168.8	0	0	0	0	112.8	A278 L282 V283 D284	A278-S280 PolarHBondContact O-N 3.29Å; S280-L282 PolarHBondContact O-N 2.78Å; S280-V283 WeakPolarHBondContact O-CB 3.5Å; S280-V283 PolarHBondContact O-N 2.76Å; S280-V283 VanDerWaalsContact O-N 3.12Å; S280-D284 PolarHBondContact O-N 2.65Å
281	P	96.8	Very high	94.8	Very high	50 Å²	50	56 Å²	56	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-36.3	176.3	-24	34.3	0	0	0	112.8	A278 D284 I285 L303	A278-P281 WeakPolarHBondContact O-CD 3.42Å; P281-D284 PolarHBondContact O-N 2.97Å; P281-I285 VanDerWaalsContact O-CG1 3.28Å; P281-I285 WeakPolarHBondContact O-CG1 3.33Å; P281-I285 PolarHBondContact O-N 3.44Å; P281-L303 HydrophobicContact CB-CD1 3.89Å; P281-L303 HydrophobicContact CB-CD2 4.14Å; P281-L303 HydrophobicContact CG-CD1 4.31Å
282	L	96.3	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-41.5	176.6	177.9	65	0	0	0	112	A278 E279 S280 D284 I285 L286 I300 L303 L330 I331 T334	A278-L282 WeakPolarHBondContact O-CB 3.5Å; A278-L282 PolarHBondContact O-N 3.17Å; E279-L282 PolarHBondContact O-N 3.4Å; S280-L282 PolarHBondContact O-N 2.78Å; L282-D284 VanDerWaalsContact C-N 3.28Å; L282-D284 PolarHBondContact O-N 2.84Å; L282-I285 PolarHBondContact O-N 2.94Å; L282-L286 HydrophobicContact CD1-CD1 3.99Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 3.94Å; L282-L286 HydrophobicContact CG-CG 4.37Å; L282-L286 WeakPolarHBondContact O-CB 3.3Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 3.36Å; L282-I300 HydrophobicContact CD1-CG1 4.37Å; L282-L303 HydrophobicContact CB-CD2 3.87Å; L282-L330 HydrophobicContact CD2-CD2 4.22Å; L282-L330 HydrophobicContact CD2-CG 3.87Å; L282-I331 HydrophobicContact CD1-CG1 4.14Å; L282-I331 HydrophobicContact CD2-CB 4.49Å; L282-I331 HydrophobicContact CD2-CG1 4.11Å; L282-T334 HydrophobicContact CD2-CG2 4.18Å; L282-T334 HydrophobicContact CG-CG2 4.23Å
283	V	95.1	Very high	94.6	Very high	47 Å²	47	55.2 Å²	55.2	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-41.5	174	167.9	0	0	0	0	110.6	E279 S280 L286 N287 T334	E279-V283 VanDerWaalsContact O-CG2 3.25Å; E279-V283 WeakPolarHBondContact O-CG2 3.27Å; E279-V283 PolarHBondContact O-N 2.98Å; S280-V283 WeakPolarHBondContact O-CB 3.5Å; S280-V283 PolarHBondContact O-N 2.76Å; S280-V283 VanDerWaalsContact O-N 3.12Å; V283-L286 PolarHBondContact O-N 2.89Å; V283-N287 WeakPolarHBondContact CG1-ND2 3.37Å; V283-N287 WeakPolarHBondContact O-CB 3.22Å; V283-N287 PolarHBondContact O-N 2.71Å; V283-N287 PolarHBondContact O-ND2 2.91Å; V283-T334 HydrophobicContact CB-CG2 4.48Å; V283-T334 HydrophobicContact CG2-CG2 3.43Å; V283-T334 VanDerWaalsContact CG2-CG2 3.43Å
284	D	95.3	Very high	94.5	Very high	102 Å²	102	56.6 Å²	56.6	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.8	-63.7	-28.5	0	0	0	111.2	S280 P281 L282 L286 N287 D288	S280-D284 PolarHBondContact O-N 2.65Å; P281-D284 PolarHBondContact O-N 2.97Å; L282-D284 VanDerWaalsContact C-N 3.28Å; L282-D284 PolarHBondContact O-N 2.84Å; D284-L286 PolarHBondContact O-N 2.8Å; D284-N287 PolarHBondContact O-N 3.16Å; D284-D288 WeakPolarHBondContact O-CB 3.29Å; D284-D288 PolarHBondContact O-N 3.41Å
285	I	95.7	Very high	94.4	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-43.3	175.7	-65.3	162	0	0	0	111.4	P281 L282 D288 L291 R299 I300 L303	P281-I285 VanDerWaalsContact O-CG1 3.28Å; P281-I285 WeakPolarHBondContact O-CG1 3.33Å; P281-I285 PolarHBondContact O-N 3.44Å; L282-I285 PolarHBondContact O-N 2.94Å; I285-D288 PolarHBondContact O-N 2.85Å; I285-L291 HydrophobicContact CG2-CD1 4.32Å; I285-R299 HydrophobicContact CD1-CB 3.97Å; I285-R299 HydrophobicContact CG1-CB 4.16Å; I285-R299 HydrophobicContact CG2-CB 4.18Å; I285-I300 HydrophobicContact CG2-CG1 4.16Å; I285-L303 HydrophobicContact CD1-CB 4.39Å; I285-L303 HydrophobicContact CD1-CD2 3.97Å
286	L	93.3	Very high	94.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-77.1	-18.5	-177.3	-66.7	176.6	0	0	0	113.8	L282 V283 D284 T334 L335 Q338 R346 I516	L282-L286 HydrophobicContact CD1-CD1 3.99Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 3.94Å; L282-L286 HydrophobicContact CG-CG 4.37Å; L282-L286 WeakPolarHBondContact O-CB 3.3Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 3.36Å; V283-L286 PolarHBondContact O-N 2.89Å; D284-L286 PolarHBondContact O-N 2.8Å; L286-T334 HydrophobicContact CD1-CG2 3.81Å; L286-L335 HydrophobicContact CD1-CB 4.36Å; L286-L335 HydrophobicContact CD2-CD1 4.44Å; L286-Q338 VanDerWaalsContact CB-OE1 3.31Å; L286-Q338 PolarHBondContact O-NE2 2.97Å; L286-Q338 VanDerWaalsContact O-NE2 3.08Å; L286-R346 HydrophobicContact CD2-CG 4.17Å; L286-I516 HydrophobicContact CD2-CD1 4.32Å
287	N	92.9	Very high	94.2	Very high	66 Å²	66	48.8 Å²	48.8	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-94.5	-11.2	173.1	-73.5	-43.3	0	0	0	113.2	V283 D284 H289 Q338	V283-N287 WeakPolarHBondContact CG1-ND2 3.37Å; V283-N287 WeakPolarHBondContact O-CB 3.22Å; V283-N287 PolarHBondContact O-N 2.71Å; V283-N287 PolarHBondContact O-ND2 2.91Å; D284-N287 PolarHBondContact O-N 3.16Å; N287-H289 VanDerWaalsContact C-N 3.34Å; N287-H289 PolarHBondContact O-N 2.96Å; N287-H289 PolarHBondContact O-ND1 2.84Å; N287-Q338 PolarHBondContact OD1-NE2 2.76Å
288	D	94	Very high	94.2	Very high	46 Å²	46	50.7 Å²	50.7	25%	0.246	28%	0.284	C	S	.	.			trans	-76	86.1	174.8	-172	-5.9	0	0	0	110.4	D284 I285 S290 L291 R299	D284-D288 WeakPolarHBondContact O-CB 3.29Å; D284-D288 PolarHBondContact O-N 3.41Å; I285-D288 PolarHBondContact O-N 2.85Å; D288-S290 PolarHBondContact O-N 3.45Å; D288-S290 VanDerWaalsContact O-N 3.12Å; D288-S290 WeakPolarHBondContact OD1-CB 3.37Å; D288-S290 PolarHBondContact OD1-N 2.78Å; D288-S290 PolarHBondContact OD1-OG 3.28Å; D288-L291 HydrophobicContact CB-CD1 3.78Å; D288-L291 HydrophobicContact CB-CG 3.95Å; D288-L291 PolarHBondContact O-N 3.09Å; D288-L291 WeakPolarHBondContact OD2-CG 3.45Å; D288-R299 IonicContact OD2-CZ 3.87Å; D288-R299 IonicContact OD2-NH1 3.13Å; D288-R299 PolarHBondContact OD2-NH1 2.94Å; D288-R299 IonicContact OD2-NH2 2.92Å
289	H	93	Very high	94.2	Very high	90 Å²	90	56.2 Å²	56.2	42%	0.417	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.4	-179.8	-53.6	-44.3	0	0	0	113.8	N287 L291 R345 R346 G348	N287-H289 VanDerWaalsContact C-N 3.34Å; N287-H289 PolarHBondContact O-N 2.96Å; N287-H289 PolarHBondContact O-ND1 2.84Å; H289-L291 VanDerWaalsContact C-N 3.28Å; H289-R345 PolarHBondContact CE1-O 2.91Å; H289-R346 PolarHBondContact ND1-O 2.85Å; H289-G348 PolarHBondContact ND1-N 3.28Å
290	S	92.4	Very high	94.2	Very high	102 Å²	102	54.8 Å²	54.8	71%	0.713	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.4	177.7	76.9	0	0	0	0	113.1	D288	D288-S290 PolarHBondContact O-N 3.45Å; D288-S290 VanDerWaalsContact O-N 3.12Å; D288-S290 WeakPolarHBondContact OD1-CB 3.37Å; D288-S290 PolarHBondContact OD1-N 2.78Å; D288-S290 PolarHBondContact OD1-OG 3.28Å
291	L	92	Very high	94.2	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.079	29%	0.293	C	S	.	.			trans	-82.4	132.8	-177	-55	175.4	0	0	0	112.3	I285 D288 H289 A295 V296 R346	I285-L291 HydrophobicContact CG2-CD1 4.32Å; D288-L291 HydrophobicContact CB-CD1 3.78Å; D288-L291 HydrophobicContact CB-CG 3.95Å; D288-L291 PolarHBondContact O-N 3.09Å; D288-L291 WeakPolarHBondContact OD2-CG 3.45Å; H289-L291 VanDerWaalsContact C-N 3.28Å; L291-A295 HydrophobicContact CB-CB 4.31Å; L291-A295 HydrophobicContact CD2-CB 4.14Å; L291-V296 HydrophobicContact CB-CG2 3.58Å; L291-V296 HydrophobicContact CD1-CG2 4.06Å; L291-R346 PolarHBondContact O-NH1 2.72Å
292	D	91.9	Very high	94.2	Very high	77 Å²	77	53 Å²	53	41%	0.412	29%	0.293	S	S	.	.			trans	-77	174.5	168.4	80.8	7.1	0	0	0	111.7	V294 A295 V296	D292-V294 VanDerWaalsContact C-N 3.32Å; D292-V294 PolarHBondContact O-N 2.89Å; D292-V294 PolarHBondContact OD1-N 3.28Å; D292-A295 WeakPolarHBondContact OD1-CB 3.48Å; D292-A295 PolarHBondContact OD1-N 2.88Å; D292-V296 VanDerWaalsContact O-CG2 3.3Å; D292-V296 WeakPolarHBondContact O-CG2 3.48Å; D292-V296 PolarHBondContact O-N 3.28Å; D292-V296 VanDerWaalsContact O-N 3.08Å
293	K	91.3	Very high	94.3	Very high	40 Å²	40	53.4 Å²	53.4	17%	0.174	30%	0.295	C	S	.	.	H	α-helix	trans	-51.4	-47.9	177.3	-178.1	-167	172.1	-66.6	0	113	V296 D297 Q377 N467	K293-V296 PolarHBondContact O-N 3.26Å; K293-D297 IonicContact NZ-OD2 2.82Å; K293-D297 PolarHBondContact NZ-OD2 3.01Å; K293-D297 VanDerWaalsContact O-CG 3.24Å; K293-D297 PolarHBondContact O-N 2.98Å; K293-Q377 VanDerWaalsContact CB-OE1 3.26Å; K293-N467 HydrophobicContact CD-CB 3.84Å
294	V	92.3	Very high	94.3	Very high	52 Å²	52	56 Å²	56	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-69.9	-45.1	-170.9	178.1	0	0	0	0	109.8	D292 V296 D297 E298	D292-V294 VanDerWaalsContact C-N 3.32Å; D292-V294 PolarHBondContact O-N 2.89Å; D292-V294 PolarHBondContact OD1-N 3.28Å; V294-V296 VanDerWaalsContact C-N 3.3Å; V294-V296 PolarHBondContact O-N 2.79Å; V294-D297 PolarHBondContact O-N 3Å; V294-E298 HydrophobicContact CG1-CG 4.39Å; V294-E298 WeakPolarHBondContact O-CB 3.4Å; V294-E298 WeakPolarHBondContact O-CG 3.41Å; V294-E298 PolarHBondContact O-N 2.86Å
295	A	94.2	Very high	94.4	Very high	25 Å²	25	57.5 Å²	57.5	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-37.9	176.4	0	0	0	0	0	112.3	L291 D292 R299	L291-A295 HydrophobicContact CB-CB 4.31Å; L291-A295 HydrophobicContact CD2-CB 4.14Å; D292-A295 WeakPolarHBondContact OD1-CB 3.48Å; D292-A295 PolarHBondContact OD1-N 2.88Å; A295-R299 WeakPolarHBondContact O-CB 3.45Å; A295-R299 WeakPolarHBondContact O-CG 3.43Å; A295-R299 PolarHBondContact O-N 2.88Å
296	V	94.1	Very high	94.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-49.3	173.1	170.3	0	0	0	0	110.9	L291 D292 K293 V294 E298 R299 I300	L291-V296 HydrophobicContact CB-CG2 3.58Å; L291-V296 HydrophobicContact CD1-CG2 4.06Å; D292-V296 VanDerWaalsContact O-CG2 3.3Å; D292-V296 WeakPolarHBondContact O-CG2 3.48Å; D292-V296 PolarHBondContact O-N 3.28Å; D292-V296 VanDerWaalsContact O-N 3.08Å; K293-V296 PolarHBondContact O-N 3.26Å; V294-V296 VanDerWaalsContact C-N 3.3Å; V294-V296 PolarHBondContact O-N 2.79Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 2.81Å; V296-R299 PolarHBondContact O-N 2.97Å; V296-I300 HydrophobicContact CG1-CD1 3.67Å; V296-I300 HydrophobicContact CG1-CG1 4.33Å; V296-I300 WeakPolarHBondContact O-CB 3.47Å; V296-I300 WeakPolarHBondContact O-CG1 3.36Å; V296-I300 PolarHBondContact O-N 2.93Å
297	D	93.2	Very high	94.6	Very high	72 Å²	72	61.7 Å²	61.7	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-41.8	-179.2	-69.3	-19.7	0	0	0	111.1	K293 V294 A301	K293-D297 IonicContact NZ-OD2 2.82Å; K293-D297 PolarHBondContact NZ-OD2 3.01Å; K293-D297 VanDerWaalsContact O-CG 3.24Å; K293-D297 PolarHBondContact O-N 2.98Å; V294-D297 PolarHBondContact O-N 3Å; D297-A301 VanDerWaalsContact O-CB 3.28Å; D297-A301 WeakPolarHBondContact O-CB 3.47Å; D297-A301 PolarHBondContact O-N 2.95Å
298	E	95.4	Very high	94.7	Very high	128 Å²	128	59.6 Å²	59.6	60%	0.598	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-46.7	176.4	-73.9	176.7	173.1	0	0	112.5	V294 V296 A301 A302	V294-E298 HydrophobicContact CG1-CG 4.39Å; V294-E298 WeakPolarHBondContact O-CB 3.4Å; V294-E298 WeakPolarHBondContact O-CG 3.41Å; V294-E298 PolarHBondContact O-N 2.86Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 2.81Å; E298-A301 PolarHBondContact O-N 3.48Å; E298-A302 PolarHBondContact O-N 3.3Å
299	R	96.8	Very high	94.7	Very high	116 Å²	116	62.1 Å²	62.1	44%	0.438	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-39.8	177.9	-74.2	-171	-175.2	178.8	5.7	112.1	I285 D288 A295 V296 A301 A302 L303	I285-R299 HydrophobicContact CD1-CB 3.97Å; I285-R299 HydrophobicContact CG1-CB 4.16Å; I285-R299 HydrophobicContact CG2-CB 4.18Å; D288-R299 IonicContact OD2-CZ 3.87Å; D288-R299 IonicContact OD2-NH1 3.13Å; D288-R299 PolarHBondContact OD2-NH1 2.94Å; D288-R299 IonicContact OD2-NH2 2.92Å; A295-R299 WeakPolarHBondContact O-CB 3.45Å; A295-R299 WeakPolarHBondContact O-CG 3.43Å; A295-R299 PolarHBondContact O-N 2.88Å; V296-R299 PolarHBondContact O-N 2.97Å; R299-A301 VanDerWaalsContact C-N 3.34Å; R299-A302 PolarHBondContact O-N 3.45Å; R299-L303 WeakPolarHBondContact O-CB 3.39Å; R299-L303 PolarHBondContact O-N 3.4Å
300	I	96.3	Very high	94.7	Very high	21 Å²	21	60.5 Å²	60.5	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-39.7	175	-69.9	176.4	0	0	0	110.5	L282 I285 V296 L303 R304 F327 I331	L282-I300 HydrophobicContact CD1-CG1 4.37Å; I285-I300 HydrophobicContact CG2-CG1 4.16Å; V296-I300 HydrophobicContact CG1-CD1 3.67Å; V296-I300 HydrophobicContact CG1-CG1 4.33Å; V296-I300 WeakPolarHBondContact O-CB 3.47Å; V296-I300 WeakPolarHBondContact O-CG1 3.36Å; V296-I300 PolarHBondContact O-N 2.93Å; I300-L303 PolarHBondContact O-N 3.05Å; I300-R304 VanDerWaalsContact O-CB 3.32Å; I300-R304 WeakPolarHBondContact O-CB 3.42Å; I300-R304 PolarHBondContact O-N 3.17Å; I300-F327 HydrophobicContact CG2-CE1 4.11Å; I300-I331 HydrophobicContact CG2-CD1 3.74Å
301	A	95.8	Very high	94.8	Very high	56 Å²	56	55.6 Å²	55.6	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-43	176.5	0	0	0	0	0	112.1	D297 E298 R299 R304 Q305	D297-A301 VanDerWaalsContact O-CB 3.28Å; D297-A301 WeakPolarHBondContact O-CB 3.47Å; D297-A301 PolarHBondContact O-N 2.95Å; E298-A301 PolarHBondContact O-N 3.48Å; R299-A301 VanDerWaalsContact C-N 3.34Å; A301-R304 WeakPolarHBondContact O-CB 3.33Å; A301-R304 PolarHBondContact O-N 3.02Å; A301-Q305 PolarHBondContact O-N 3.02Å
302	A	97.3	Very high	94.8	Very high	40 Å²	40	61.1 Å²	61.1	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-49.7	174.2	0	0	0	0	0	111.3	E298 R299 R304 Q305 E306	E298-A302 PolarHBondContact O-N 3.3Å; R299-A302 PolarHBondContact O-N 3.45Å; A302-R304 VanDerWaalsContact C-N 3.28Å; A302-R304 PolarHBondContact O-N 2.79Å; A302-Q305 WeakPolarHBondContact O-CB 3.48Å; A302-Q305 PolarHBondContact O-N 2.96Å; A302-Q305 VanDerWaalsContact O-N 3.08Å; A302-E306 WeakPolarHBondContact O-CG 3.35Å; A302-E306 PolarHBondContact O-N 3.07Å
303	L	97.5	Very high	94.8	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-39.9	176.7	179.7	61.1	0	0	0	111.9	A278 P281 L282 I285 R299 I300 Q305 E306 T307 F327	A278-L303 HydrophobicContact CB-CD1 4.38Å; A278-L303 HydrophobicContact CB-CD2 4.41Å; A278-L303 HydrophobicContact CB-CG 4.42Å; P281-L303 HydrophobicContact CB-CD1 3.89Å; P281-L303 HydrophobicContact CB-CD2 4.14Å; P281-L303 HydrophobicContact CG-CD1 4.31Å; L282-L303 HydrophobicContact CB-CD2 3.87Å; I285-L303 HydrophobicContact CD1-CB 4.39Å; I285-L303 HydrophobicContact CD1-CD2 3.97Å; R299-L303 WeakPolarHBondContact O-CB 3.39Å; R299-L303 PolarHBondContact O-N 3.4Å; I300-L303 PolarHBondContact O-N 3.05Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.68Å; L303-E306 PolarHBondContact O-N 3.22Å; L303-T307 VanDerWaalsContact O-CB 3.3Å; L303-T307 WeakPolarHBondContact O-CB 3.19Å; L303-T307 PolarHBondContact O-N 3.35Å; L303-T307 PolarHBondContact O-OG1 3.39Å; L303-F327 HydrophobicContact CB-CZ 4.42Å; L303-F327 HydrophobicContact CD2-CZ 4.31Å; L303-F327 HydrophobicContact CG-CE2 4.28Å; L303-F327 HydrophobicContact CG-CZ 4.06Å
304	R	96.7	Very high	94.8	Very high	101 Å²	101	67.5 Å²	67.5	38%	0.381	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-43.3	175.9	-175.9	175	169	-166.7	-7.7	111.4	I300 A301 A302 S308 F323 D324 F327	I300-R304 VanDerWaalsContact O-CB 3.32Å; I300-R304 WeakPolarHBondContact O-CB 3.42Å; I300-R304 PolarHBondContact O-N 3.17Å; A301-R304 WeakPolarHBondContact O-CB 3.33Å; A301-R304 PolarHBondContact O-N 3.02Å; A302-R304 VanDerWaalsContact C-N 3.28Å; A302-R304 PolarHBondContact O-N 2.79Å; R304-S308 VanDerWaalsContact O-CB 3.31Å; R304-S308 WeakPolarHBondContact O-CB 3.49Å; R304-S308 PolarHBondContact O-N 3.02Å; R304-F323 HydrophobicContact CG-CE1 3.86Å; R304-F323 HydrophobicContact CG-CZ 4.2Å; R304-F323 WeakPolarHBondContact O-CZ 3.43Å; R304-D324 IonicContact CZ-OD1 3.49Å; R304-D324 VanDerWaalsContact CZ-OD1 3.26Å; R304-D324 IonicContact NE-OD1 3.46Å; R304-D324 PolarHBondContact NE-OD1 2.78Å; R304-D324 VanDerWaalsContact NE-OD1 3.09Å; R304-D324 IonicContact NH2-OD1 3.28Å; R304-D324 PolarHBondContact NH2-OD1 2.93Å; R304-D324 IonicContact NH2-OD2 3.83Å; R304-D324 PolarHBondContact NH2-OD2 3.04Å; R304-F327 VanDerWaalsContact CA-CZ 3.49Å; R304-F327 HydrophobicContact CB-CD1 4Å; R304-F327 HydrophobicContact CB-CE1 3.5Å; R304-F327 VanDerWaalsContact CB-CE1 3.5Å; R304-F327 HydrophobicContact CB-CE2 4.35Å; R304-F327 HydrophobicContact CB-CZ 3.71Å; R304-F327 HydrophobicContact CG-CD1 3.81Å; R304-F327 HydrophobicContact CG-CE1 3.88Å; R304-F327 HydrophobicContact CG-CG 4.23Å; R304-F327 HydrophobicContact CG-CZ 4.36Å
305	Q	96.5	Very high	94.7	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-65.2	-47.5	178.8	-174.4	178.9	-0.6	0	0	111.4	A301 A302 L303 S308 L309	A301-Q305 PolarHBondContact O-N 3.02Å; A302-Q305 WeakPolarHBondContact O-CB 3.48Å; A302-Q305 PolarHBondContact O-N 2.96Å; A302-Q305 VanDerWaalsContact O-N 3.08Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.68Å; Q305-S308 WeakPolarHBondContact O-CB 3.36Å; Q305-S308 PolarHBondContact O-N 3.23Å; Q305-L309 WeakPolarHBondContact O-CG 3.37Å; Q305-L309 PolarHBondContact O-N 3.5Å; Q305-L309 VanDerWaalsContact O-N 3.07Å
306	E	96.8	Very high	94.3	Very high	105 Å²	105	67.2 Å²	67.2	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-47.2	177.2	-70	173.8	-175.8	0	0	111.5	Y277 A302 L303 S308 L309 H310	Y277-E306 HydrophobicContact CE1-CB 4.38Å; A302-E306 WeakPolarHBondContact O-CG 3.35Å; A302-E306 PolarHBondContact O-N 3.07Å; L303-E306 PolarHBondContact O-N 3.22Å; E306-S308 VanDerWaalsContact C-N 3.32Å; E306-S308 PolarHBondContact O-N 3.26Å; E306-L309 PolarHBondContact O-N 3.44Å; E306-H310 PolarHBondContact O-N 2.61Å
307	T	96.2	Very high	93.7	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-39.1	177.9	-49	0	0	0	0	111.2	V274 Y277 A278 L303 L309 H310 V311 F323 F327	V274-T307 HydrophobicContact CG1-CG2 4.39Å; Y277-T307 HydrophobicContact CD1-CG2 3.93Å; A278-T307 HydrophobicContact CB-CG2 3.97Å; L303-T307 VanDerWaalsContact O-CB 3.3Å; L303-T307 WeakPolarHBondContact O-CB 3.19Å; L303-T307 PolarHBondContact O-N 3.35Å; L303-T307 PolarHBondContact O-OG1 3.39Å; T307-L309 VanDerWaalsContact C-N 3.35Å; T307-L309 PolarHBondContact O-N 3.3Å; T307-H310 PolarHBondContact O-N 3.34Å; T307-V311 HydrophobicContact CG2-CG2 4.22Å; T307-V311 WeakPolarHBondContact O-CB 3.38Å; T307-V311 VanDerWaalsContact O-CG2 3.23Å; T307-V311 WeakPolarHBondContact O-CG2 3.38Å; T307-V311 PolarHBondContact O-N 3.18Å; T307-F323 HydrophobicContact CG2-CE2 3.8Å; T307-F323 HydrophobicContact CG2-CZ 4.24Å; T307-F327 HydrophobicContact CG2-CD2 4.29Å; T307-F327 HydrophobicContact CG2-CE2 4.37Å
308	S	94.8	Very high	93	Very high	22 Å²	22	78.7 Å²	78.7	15%	0.154	39%	0.394	C	S	.	.	H	α-helix	trans	-62.7	-41.7	177.8	-171.3	0	0	0	0	112	R304 Q305 E306 K312	R304-S308 VanDerWaalsContact O-CB 3.31Å; R304-S308 WeakPolarHBondContact O-CB 3.49Å; R304-S308 PolarHBondContact O-N 3.02Å; Q305-S308 WeakPolarHBondContact O-CB 3.36Å; Q305-S308 PolarHBondContact O-N 3.23Å; E306-S308 VanDerWaalsContact C-N 3.32Å; E306-S308 PolarHBondContact O-N 3.26Å; S308-K312 VanDerWaalsContact O-CG 3.27Å; S308-K312 WeakPolarHBondContact O-CG 3.08Å; S308-K312 PolarHBondContact O-N 3.23Å
309	L	94.8	Very high	92.2	Very high	99 Å²	99	75.9 Å²	75.9	52%	0.518	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-48	176.3	-68.9	171.3	0	0	0	110.9	Q305 E306 T307 V311 K312 E313	Q305-L309 WeakPolarHBondContact O-CG 3.37Å; Q305-L309 PolarHBondContact O-N 3.5Å; Q305-L309 VanDerWaalsContact O-N 3.07Å; E306-L309 PolarHBondContact O-N 3.44Å; T307-L309 VanDerWaalsContact C-N 3.35Å; T307-L309 PolarHBondContact O-N 3.3Å; L309-V311 PolarHBondContact O-N 3.27Å; L309-K312 PolarHBondContact O-N 2.74Å; L309-E313 PolarHBondContact O-N 3.29Å
310	H	93.5	Very high	91.6	Very high	56 Å²	56	71 Å²	71	26%	0.259	36%	0.364	S	S	.	.	H	α-helix	trans	-60.7	-43.5	179.5	-174.5	64	0	0	0	112.9	Y277 E306 T307 K312 E313 I314	Y277-H310 HydrophobicContact CD2-CB 4.18Å; Y277-H310 AromaticContact CD2-CD2 3.09Å; Y277-H310 WeakPolarHBondContact CD2-CD2 3.29Å; Y277-H310 AromaticContact CD2-CE1 3.97Å; Y277-H310 AromaticContact CD2-CG 3.55Å; Y277-H310 AromaticContact CD2-NE2 3.4Å; Y277-H310 WeakPolarHBondContact CD2-NE2 3.5Å; Y277-H310 HydrophobicContact CE1-CB 4.29Å; Y277-H310 HydrophobicContact CE2-CB 3.94Å; Y277-H310 AromaticContact CE2-CD2 3.61Å; Y277-H310 AromaticContact CE2-CG 3.53Å; Y277-H310 AromaticContact CE2-ND1 3.84Å; Y277-H310 AromaticContact CE2-NE2 3.92Å; Y277-H310 HydrophobicContact CG-CB 4.43Å; Y277-H310 AromaticContact CG-CD2 3.55Å; E306-H310 PolarHBondContact O-N 2.61Å; T307-H310 PolarHBondContact O-N 3.34Å; H310-K312 VanDerWaalsContact C-N 3.32Å; H310-K312 PolarHBondContact O-N 3.03Å; H310-E313 PolarHBondContact O-N 2.99Å; H310-I314 VanDerWaalsContact CE1-CD1 3.47Å; H310-I314 WeakPolarHBondContact CE1-CD1 3.47Å; H310-I314 VanDerWaalsContact NE2-CD1 3.27Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.49Å; H310-I314 PolarHBondContact O-N 3.12Å
311	V	93.3	Very high	90.9	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-63.5	-38.7	178.4	168.6	0	0	0	0	111.4	L270 T273 V274 T307 L309 E313 I314 L315 V320 F323	L270-V311 HydrophobicContact CD1-CG1 3.57Å; T273-V311 HydrophobicContact CG2-CG2 4.05Å; V274-V311 HydrophobicContact CG2-CG2 3.85Å; T307-V311 HydrophobicContact CG2-CG2 4.22Å; T307-V311 WeakPolarHBondContact O-CB 3.38Å; T307-V311 VanDerWaalsContact O-CG2 3.23Å; T307-V311 WeakPolarHBondContact O-CG2 3.38Å; T307-V311 PolarHBondContact O-N 3.18Å; L309-V311 PolarHBondContact O-N 3.27Å; V311-E313 VanDerWaalsContact C-N 3.27Å; V311-E313 PolarHBondContact O-N 2.81Å; V311-I314 PolarHBondContact O-N 3.19Å; V311-L315 HydrophobicContact CG1-CD1 4Å; V311-L315 HydrophobicContact CG1-CG 4.47Å; V311-L315 PolarHBondContact O-N 2.93Å; V311-V320 HydrophobicContact CG1-CG1 4.13Å; V311-V320 HydrophobicContact CG1-CG2 3.93Å; V311-F323 HydrophobicContact CB-CD2 4.39Å; V311-F323 HydrophobicContact CG1-CD2 4.39Å; V311-F323 HydrophobicContact CG2-CD2 4.25Å; V311-F323 HydrophobicContact CG2-CE2 4.23Å
312	K	92.8	Very high	90.3	Very high	130 Å²	130	73.5 Å²	73.5	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-68.1	-22.1	176.9	-74.4	174.3	180	174.7	0	114	S308 L309 H310 V320	S308-K312 VanDerWaalsContact O-CG 3.27Å; S308-K312 WeakPolarHBondContact O-CG 3.08Å; S308-K312 PolarHBondContact O-N 3.23Å; L309-K312 PolarHBondContact O-N 2.74Å; H310-K312 VanDerWaalsContact C-N 3.32Å; H310-K312 PolarHBondContact O-N 3.03Å; K312-V320 HydrophobicContact CG-CG1 3.84Å; K312-V320 HydrophobicContact CG-CG2 4.28Å
313	E	92.4	Very high	90	Very high	156 Å²	156	71.9 Å²	71.9	73%	0.729	37%	0.366	S	S	*	.	H	α-helix	trans	-77.5	-25.5	174.6	-70.5	175.3	171	0	0	112.4	L309 H310 V311	L309-E313 PolarHBondContact O-N 3.29Å; H310-E313 PolarHBondContact O-N 2.99Å; V311-E313 VanDerWaalsContact C-N 3.27Å; V311-E313 PolarHBondContact O-N 2.81Å
314	I	91.1	Very high	89.6	Confident	95 Å²	95	74.3 Å²	74.3	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-103.5	-39.9	-171.7	-60.7	173.1	0	0	0	112.3	T273 H310 V311	T273-I314 HydrophobicContact CG2-CD1 4.25Å; H310-I314 VanDerWaalsContact CE1-CD1 3.47Å; H310-I314 WeakPolarHBondContact CE1-CD1 3.47Å; H310-I314 VanDerWaalsContact NE2-CD1 3.27Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.49Å; H310-I314 PolarHBondContact O-N 3.12Å; V311-I314 PolarHBondContact O-N 3.19Å
315	L	90.3	Very high	89.2	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.12	37%	0.369	C	S	.	.	S	Bend	trans	-106.8	154.3	-172.1	-60	-176.2	0	0	0	112.1	L270 V311 E319 V320	L270-L315 HydrophobicContact CB-CD1 4.14Å; L270-L315 HydrophobicContact CD1-CD1 4.05Å; V311-L315 HydrophobicContact CG1-CD1 4Å; V311-L315 HydrophobicContact CG1-CG 4.47Å; V311-L315 PolarHBondContact O-N 2.93Å; L315-E319 HydrophobicContact CB-CB 4.14Å; L315-V320 HydrophobicContact CB-CG2 4.13Å
316	A	84.9	Confident	89	Confident	49 Å²	49	65.2 Å²	65.2	41%	0.405	34%	0.341	S	S	.	.			trans	-68.3	153	177.3	0	0	0	0	0	111.5	D318 E319 V320	A316-D318 WeakPolarHBondContact CB-OD1 3.25Å; A316-D318 PolarHBondContact O-N 2.86Å; A316-D318 VanDerWaalsContact O-N 3.13Å; A316-E319 PolarHBondContact N-OE2 2.98Å; A316-E319 WeakPolarHBondContact O-CB 3.39Å; A316-E319 PolarHBondContact O-N 2.83Å; A316-V320 WeakPolarHBondContact O-CG2 3.29Å; A316-V320 PolarHBondContact O-N 3.04Å
317	E	80.8	Confident	88.9	Confident	184 Å²	184	60.2 Å²	60.2	86%	0.86	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.1	-172.8	-166.2	173.5	-168.4	0	0	113.4	V320	E317-V320 PolarHBondContact O-N 3.14Å
318	D	78.8	Confident	88.7	Confident	130 Å²	130	61.7 Å²	61.7	70%	0.695	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-30.1	175.5	59.9	-49.5	0	0	0	113.4	A316	A316-D318 WeakPolarHBondContact CB-OD1 3.25Å; A316-D318 PolarHBondContact O-N 2.86Å; A316-D318 VanDerWaalsContact O-N 3.13Å
319	E	78.3	Confident	88.6	Confident	68 Å²	68	62.8 Å²	62.8	32%	0.318	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.2	175.1	-65.4	-176.6	99.1	0	0	112.2	L270 L315 A316 A321	L270-E319 WeakPolarHBondContact CD2-O 3.28Å; L315-E319 HydrophobicContact CB-CB 4.14Å; A316-E319 PolarHBondContact N-OE2 2.98Å; A316-E319 WeakPolarHBondContact O-CB 3.39Å; A316-E319 PolarHBondContact O-N 2.83Å; E319-A321 VanDerWaalsContact C-N 3.32Å; E319-A321 PolarHBondContact O-N 2.97Å
320	V	84.3	Confident	88.6	Confident	15 Å²	15	58.6 Å²	58.6	9%	0.091	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-81.4	-11.5	-176.7	-170.2	0	0	0	0	112.7	V311 K312 L315 A316 E317 Q322 F323	V311-V320 HydrophobicContact CG1-CG1 4.13Å; V311-V320 HydrophobicContact CG1-CG2 3.93Å; K312-V320 HydrophobicContact CG-CG1 3.84Å; K312-V320 HydrophobicContact CG-CG2 4.28Å; L315-V320 HydrophobicContact CB-CG2 4.13Å; A316-V320 WeakPolarHBondContact O-CG2 3.29Å; A316-V320 PolarHBondContact O-N 3.04Å; E317-V320 PolarHBondContact O-N 3.14Å; V320-Q322 PolarHBondContact O-N 3.3Å; V320-F323 HydrophobicContact CG1-CB 3.93Å; V320-F323 WeakPolarHBondContact O-CB 3.44Å; V320-F323 PolarHBondContact O-N 3.41Å
321	A	83	Confident	88.7	Confident	87 Å²	87	56.4 Å²	56.4	72%	0.719	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-54.8	-29	-175.3	0	0	0	0	0	114	E319	E319-A321 VanDerWaalsContact C-N 3.32Å; E319-A321 PolarHBondContact O-N 2.97Å
322	Q	83.3	Confident	88.8	Confident	41 Å²	41	58.6 Å²	58.6	19%	0.192	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-104.5	16.6	-179	-66.2	160.1	-22.9	0	0	113.3	G263 C264 Q265 P266 L270 V320 D324 E325 S326	G263-Q322 PolarHBondContact O-NE2 2.97Å; C264-Q322 VanDerWaalsContact C-NE2 3.28Å; Q265-Q322 VanDerWaalsContact C-CD 3.46Å; Q265-Q322 PolarHBondContact O-NE2 2.91Å; Q265-Q322 PolarHBondContact O-OE1 3.03Å; P266-Q322 HydrophobicContact CB-CB 4.34Å; P266-Q322 HydrophobicContact CG-CB 4.17Å; L270-Q322 HydrophobicContact CD2-CB 4.11Å; V320-Q322 PolarHBondContact O-N 3.3Å; Q322-D324 VanDerWaalsContact C-N 3.28Å; Q322-D324 PolarHBondContact O-N 2.9Å; Q322-E325 PolarHBondContact O-N 3.43Å; Q322-S326 PolarHBondContact O-N 2.92Å
323	F	90.5	Very high	88.9	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-51.8	-45.9	179.8	167.7	-98.8	0	0	0	112.6	V274 R304 T307 V311 V320 E325 S326 F327	V274-F323 HydrophobicContact CG2-CD2 3.87Å; V274-F323 HydrophobicContact CG2-CE2 3.97Å; R304-F323 HydrophobicContact CG-CE1 3.86Å; R304-F323 HydrophobicContact CG-CZ 4.2Å; R304-F323 WeakPolarHBondContact O-CZ 3.43Å; T307-F323 HydrophobicContact CG2-CE2 3.8Å; T307-F323 HydrophobicContact CG2-CZ 4.24Å; V311-F323 HydrophobicContact CB-CD2 4.39Å; V311-F323 HydrophobicContact CG1-CD2 4.39Å; V311-F323 HydrophobicContact CG2-CD2 4.25Å; V311-F323 HydrophobicContact CG2-CE2 4.23Å; V320-F323 HydrophobicContact CG1-CB 3.93Å; V320-F323 WeakPolarHBondContact O-CB 3.44Å; V320-F323 PolarHBondContact O-N 3.41Å; F323-E325 VanDerWaalsContact C-N 3.34Å; F323-E325 PolarHBondContact O-N 3.35Å; F323-S326 PolarHBondContact O-N 2.95Å; F323-F327 HydrophobicContact CE1-CB 4.43Å; F323-F327 HydrophobicContact CE2-CB 4.42Å; F323-F327 HydrophobicContact CE2-CD2 4.37Å; F323-F327 HydrophobicContact CZ-CB 4.16Å; F323-F327 HydrophobicContact CZ-CD2 4.03Å; F323-F327 HydrophobicContact CZ-CG 4.24Å; F323-F327 WeakPolarHBondContact O-CB 3.35Å; F323-F327 PolarHBondContact O-N 2.7Å
324	D	89.3	Confident	89	Confident	58 Å²	58	48.4 Å²	48.4	31%	0.31	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-39	-176.3	-75	-24.8	0	0	0	112.8	R304 Q322 T328	R304-D324 IonicContact CZ-OD1 3.49Å; R304-D324 VanDerWaalsContact CZ-OD1 3.26Å; R304-D324 IonicContact NE-OD1 3.46Å; R304-D324 PolarHBondContact NE-OD1 2.78Å; R304-D324 VanDerWaalsContact NE-OD1 3.09Å; R304-D324 IonicContact NH2-OD1 3.28Å; R304-D324 PolarHBondContact NH2-OD1 2.93Å; R304-D324 IonicContact NH2-OD2 3.83Å; R304-D324 PolarHBondContact NH2-OD2 3.04Å; Q322-D324 VanDerWaalsContact C-N 3.28Å; Q322-D324 PolarHBondContact O-N 2.9Å; D324-T328 VanDerWaalsContact O-CB 3.27Å; D324-T328 WeakPolarHBondContact O-CB 3.42Å; D324-T328 PolarHBondContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 2.91Å
325	E	87.3	Confident	89.2	Confident	38 Å²	38	44 Å²	44	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-47	175.2	-175.5	172.6	-166.9	0	0	110.2	Y134 P266 Q322 F323 F327 T328 D329	Y134-E325 PolarHBondContact OH-OE1 2.89Å; P266-E325 HydrophobicContact CG-CB 4.28Å; P266-E325 HydrophobicContact CG-CG 4.11Å; Q322-E325 PolarHBondContact O-N 3.43Å; F323-E325 VanDerWaalsContact C-N 3.34Å; F323-E325 PolarHBondContact O-N 3.35Å; E325-F327 PolarHBondContact O-N 2.9Å; E325-T328 PolarHBondContact O-N 2.94Å; E325-D329 WeakPolarHBondContact O-CB 3.38Å; E325-D329 PolarHBondContact O-N 2.73Å
326	S	91.9	Very high	89.5	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177.6	-172.5	0	0	0	0	112.8	Q322 F323 D329 L330	Q322-S326 PolarHBondContact O-N 2.92Å; F323-S326 PolarHBondContact O-N 2.95Å; S326-D329 PolarHBondContact O-N 3.05Å; S326-L330 PolarHBondContact O-N 3.04Å
327	F	95.2	Very high	89.9	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-41.7	178.4	-169.5	-93.5	0	0	0	111.3	V274 A278 I300 L303 R304 T307 F323 E325 D329 L330 I331	V274-F327 HydrophobicContact CG1-CB 4.45Å; V274-F327 HydrophobicContact CG1-CD2 4.1Å; A278-F327 HydrophobicContact CB-CD2 4.49Å; A278-F327 HydrophobicContact CB-CE2 3.9Å; I300-F327 HydrophobicContact CG2-CE1 4.11Å; L303-F327 HydrophobicContact CB-CZ 4.42Å; L303-F327 HydrophobicContact CD2-CZ 4.31Å; L303-F327 HydrophobicContact CG-CE2 4.28Å; L303-F327 HydrophobicContact CG-CZ 4.06Å; R304-F327 VanDerWaalsContact CA-CZ 3.49Å; R304-F327 HydrophobicContact CB-CD1 4Å; R304-F327 HydrophobicContact CB-CE1 3.5Å; R304-F327 VanDerWaalsContact CB-CE1 3.5Å; R304-F327 HydrophobicContact CB-CE2 4.35Å; R304-F327 HydrophobicContact CB-CZ 3.71Å; R304-F327 HydrophobicContact CG-CD1 3.81Å; R304-F327 HydrophobicContact CG-CE1 3.88Å; R304-F327 HydrophobicContact CG-CG 4.23Å; R304-F327 HydrophobicContact CG-CZ 4.36Å; T307-F327 HydrophobicContact CG2-CD2 4.29Å; T307-F327 HydrophobicContact CG2-CE2 4.37Å; F323-F327 HydrophobicContact CE1-CB 4.43Å; F323-F327 HydrophobicContact CE2-CB 4.42Å; F323-F327 HydrophobicContact CE2-CD2 4.37Å; F323-F327 HydrophobicContact CZ-CB 4.16Å; F323-F327 HydrophobicContact CZ-CD2 4.03Å; F323-F327 HydrophobicContact CZ-CG 4.24Å; F323-F327 WeakPolarHBondContact O-CB 3.35Å; F323-F327 PolarHBondContact O-N 2.7Å; E325-F327 PolarHBondContact O-N 2.9Å; F327-D329 VanDerWaalsContact C-N 3.3Å; F327-D329 PolarHBondContact O-N 3.01Å; F327-L330 WeakPolarHBondContact O-CB 3.38Å; F327-L330 PolarHBondContact O-N 2.89Å; F327-I331 HydrophobicContact CD1-CD1 3.86Å; F327-I331 HydrophobicContact CD1-CG1 4.37Å; F327-I331 HydrophobicContact CE1-CD1 3.71Å; F327-I331 HydrophobicContact CE1-CG1 4.2Å; F327-I331 WeakPolarHBondContact O-CG1 3.48Å; F327-I331 PolarHBondContact O-N 2.58Å
328	T	92.7	Very high	90.5	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.184	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-40.6	175.1	-59.8	0	0	0	0	111.4	D324 E325 I331 R332 Y519 F520	D324-T328 VanDerWaalsContact O-CB 3.27Å; D324-T328 WeakPolarHBondContact O-CB 3.42Å; D324-T328 PolarHBondContact O-N 3.1Å; D324-T328 PolarHBondContact O-OG1 2.91Å; E325-T328 PolarHBondContact O-N 2.94Å; T328-I331 PolarHBondContact O-N 2.77Å; T328-R332 PolarHBondContact O-N 3.23Å; T328-Y519 HydrophobicContact CG2-CE1 4.2Å; T328-F520 HydrophobicContact CG2-CE1 3.74Å; T328-F520 HydrophobicContact CG2-CZ 4.35Å; T328-F520 WeakPolarHBondContact O-CE1 3.36Å
329	D	91.8	Very high	91.3	Very high	46 Å²	46	31.7 Å²	31.7	25%	0.246	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-35	177.4	-80.8	14.5	0	0	0	112.3	E325 S326 F327 R332 L333	E325-D329 WeakPolarHBondContact O-CB 3.38Å; E325-D329 PolarHBondContact O-N 2.73Å; S326-D329 PolarHBondContact O-N 3.05Å; F327-D329 VanDerWaalsContact C-N 3.3Å; F327-D329 PolarHBondContact O-N 3.01Å; D329-R332 WeakPolarHBondContact O-CB 3.45Å; D329-R332 PolarHBondContact O-N 3.38Å; D329-R332 IonicContact OD1-CZ 3.42Å; D329-R332 IonicContact OD1-NH1 2.7Å; D329-R332 PolarHBondContact OD1-NH1 2.98Å; D329-R332 IonicContact OD1-NH2 3.32Å; D329-R332 PolarHBondContact OD1-NH2 3.37Å; D329-R332 IonicContact OD2-NH1 3.62Å; D329-R332 PolarHBondContact OD2-NH1 3.31Å; D329-L333 WeakPolarHBondContact O-CB 3.48Å; D329-L333 VanDerWaalsContact O-CG 3.32Å; D329-L333 WeakPolarHBondContact O-CG 3.37Å; D329-L333 PolarHBondContact O-N 3.28Å
330	L	95.8	Very high	92.1	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-48.1	170.6	179.7	64.8	0	0	0	111.1	V274 R275 A278 E279 L282 S326 F327 R332 L333 T334	V274-L330 HydrophobicContact CG1-CD2 3.98Å; R275-L330 HydrophobicContact CB-CD1 4.38Å; R275-L330 HydrophobicContact CG-CD1 4.14Å; A278-L330 HydrophobicContact CB-CD2 3.73Å; E279-L330 HydrophobicContact CB-CD1 4.2Å; E279-L330 HydrophobicContact CG-CD1 4.31Å; L282-L330 HydrophobicContact CD2-CD2 4.22Å; L282-L330 HydrophobicContact CD2-CG 3.87Å; S326-L330 PolarHBondContact O-N 3.04Å; F327-L330 WeakPolarHBondContact O-CB 3.38Å; F327-L330 PolarHBondContact O-N 2.89Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 2.84Å; L330-L333 PolarHBondContact O-N 3.07Å; L330-T334 WeakPolarHBondContact O-CB 3.5Å; L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 2.95Å
331	I	96	Very high	92.6	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-48.3	176.4	-59.3	164.2	0	0	0	110.7	L282 I300 F327 T328 L333 T334 L335 F520	L282-I331 HydrophobicContact CD1-CG1 4.14Å; L282-I331 HydrophobicContact CD2-CB 4.49Å; L282-I331 HydrophobicContact CD2-CG1 4.11Å; I300-I331 HydrophobicContact CG2-CD1 3.74Å; F327-I331 HydrophobicContact CD1-CD1 3.86Å; F327-I331 HydrophobicContact CD1-CG1 4.37Å; F327-I331 HydrophobicContact CE1-CD1 3.71Å; F327-I331 HydrophobicContact CE1-CG1 4.2Å; F327-I331 WeakPolarHBondContact O-CG1 3.48Å; F327-I331 PolarHBondContact O-N 2.58Å; T328-I331 PolarHBondContact O-N 2.77Å; I331-L333 PolarHBondContact O-N 2.88Å; I331-T334 PolarHBondContact O-N 2.89Å; I331-L335 WeakPolarHBondContact O-CB 3.49Å; I331-L335 PolarHBondContact O-N 3.44Å; I331-F520 HydrophobicContact CB-CE1 4.22Å; I331-F520 HydrophobicContact CB-CE2 4.2Å; I331-F520 HydrophobicContact CB-CZ 3.77Å; I331-F520 HydrophobicContact CD1-CZ 4.28Å; I331-F520 HydrophobicContact CG2-CD2 4.07Å; I331-F520 HydrophobicContact CG2-CE1 4.25Å; I331-F520 HydrophobicContact CG2-CE2 3.39Å; I331-F520 HydrophobicContact CG2-CZ 3.49Å; I331-F520 VanDerWaalsContact CG2-CZ 3.49Å
332	R	94.7	Very high	93	Very high	46 Å²	46	38 Å²	38	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-50.5	178.3	-168.7	-175.5	-54.5	117.7	11.7	111.5	T328 D329 L330 R336 F520	T328-R332 PolarHBondContact O-N 3.23Å; D329-R332 WeakPolarHBondContact O-CB 3.45Å; D329-R332 PolarHBondContact O-N 3.38Å; D329-R332 IonicContact OD1-CZ 3.42Å; D329-R332 IonicContact OD1-NH1 2.7Å; D329-R332 PolarHBondContact OD1-NH1 2.98Å; D329-R332 IonicContact OD1-NH2 3.32Å; D329-R332 PolarHBondContact OD1-NH2 3.37Å; D329-R332 IonicContact OD2-NH1 3.62Å; D329-R332 PolarHBondContact OD2-NH1 3.31Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 2.84Å; R332-R336 WeakPolarHBondContact O-CB 3.46Å; R332-R336 VanDerWaalsContact O-CG 3.24Å; R332-R336 WeakPolarHBondContact O-CG 3.48Å; R332-R336 PolarHBondContact O-N 3.45Å; R332-R336 VanDerWaalsContact O-N 3.12Å; R332-F520 HydrophobicContact CB-CB 4.46Å; R332-F520 HydrophobicContact CB-CD1 3.56Å; R332-F520 HydrophobicContact CB-CE1 4.14Å; R332-F520 HydrophobicContact CB-CG 4.28Å; R332-F520 HydrophobicContact CG-CB 4.08Å; R332-F520 HydrophobicContact CG-CD1 3.91Å; R332-F520 HydrophobicContact CG-CG 4.4Å
333	L	94.8	Very high	93.4	Very high	68 Å²	68	37.3 Å²	37.3	36%	0.356	19%	0.187	S	C	.	.	H	α-helix	trans	-66.8	-44.2	-177	-74.4	169.3	0	0	0	111.8	D329 L330 I331 R336 K337	D329-L333 WeakPolarHBondContact O-CB 3.48Å; D329-L333 VanDerWaalsContact O-CG 3.32Å; D329-L333 WeakPolarHBondContact O-CG 3.37Å; D329-L333 PolarHBondContact O-N 3.28Å; L330-L333 PolarHBondContact O-N 3.07Å; I331-L333 PolarHBondContact O-N 2.88Å; L333-R336 PolarHBondContact O-N 3.47Å; L333-K337 WeakPolarHBondContact O-CB 3.39Å; L333-K337 VanDerWaalsContact O-CG 3.28Å; L333-K337 WeakPolarHBondContact O-CG 3.44Å; L333-K337 PolarHBondContact O-N 2.96Å
334	T	95.4	Very high	93.6	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-46.6	-179.9	-58	0	0	0	0	111.3	L282 V283 L286 L330 I331 R336 K337 Q338	L282-T334 HydrophobicContact CD2-CG2 4.18Å; L282-T334 HydrophobicContact CG-CG2 4.23Å; V283-T334 HydrophobicContact CB-CG2 4.48Å; V283-T334 HydrophobicContact CG2-CG2 3.43Å; V283-T334 VanDerWaalsContact CG2-CG2 3.43Å; L286-T334 HydrophobicContact CD1-CG2 3.81Å; L330-T334 WeakPolarHBondContact O-CB 3.5Å; L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 2.95Å; I331-T334 PolarHBondContact O-N 2.89Å; T334-R336 VanDerWaalsContact C-N 3.34Å; T334-R336 PolarHBondContact O-N 2.89Å; T334-K337 PolarHBondContact O-N 3.45Å; T334-Q338 WeakPolarHBondContact O-CB 3.2Å; T334-Q338 PolarHBondContact O-N 3.35Å
335	L	94.8	Very high	93.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-46	176.4	-176.7	71.6	0	0	0	111.4	L286 I331 Q338 I339 R346 I516 F520	L286-L335 HydrophobicContact CD1-CB 4.36Å; L286-L335 HydrophobicContact CD2-CD1 4.44Å; I331-L335 WeakPolarHBondContact O-CB 3.49Å; I331-L335 PolarHBondContact O-N 3.44Å; L335-Q338 PolarHBondContact O-N 2.85Å; L335-I339 HydrophobicContact CG-CD1 4.19Å; L335-I339 WeakPolarHBondContact O-CG1 3.44Å; L335-I339 PolarHBondContact O-N 2.71Å; L335-I339 VanDerWaalsContact O-N 3.12Å; L335-R346 HydrophobicContact CD1-CB 4.34Å; L335-I516 HydrophobicContact CD2-CG1 4.37Å; L335-F520 HydrophobicContact CD2-CB 4.06Å; L335-F520 HydrophobicContact CD2-CD2 4.3Å
336	R	95.5	Very high	94.1	Very high	25 Å²	25	35.1 Å²	35.1	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-50.7	177.7	-71.9	176.4	-175	-151.1	2.8	111.5	R332 L333 T334 Q338 I339 F340 V501 T502 M503 F520 D522	R332-R336 WeakPolarHBondContact O-CB 3.46Å; R332-R336 VanDerWaalsContact O-CG 3.24Å; R332-R336 WeakPolarHBondContact O-CG 3.48Å; R332-R336 PolarHBondContact O-N 3.45Å; R332-R336 VanDerWaalsContact O-N 3.12Å; L333-R336 PolarHBondContact O-N 3.47Å; T334-R336 VanDerWaalsContact C-N 3.34Å; T334-R336 PolarHBondContact O-N 2.89Å; R336-Q338 PolarHBondContact O-N 3.38Å; R336-I339 PolarHBondContact O-N 2.8Å; R336-I339 VanDerWaalsContact O-N 3.16Å; R336-F340 VanDerWaalsContact O-CD2 3.31Å; R336-F340 WeakPolarHBondContact O-CD2 3.28Å; R336-F340 PolarHBondContact O-N 2.89Å; R336-V501 HydrophobicContact CG-CB 4.34Å; R336-V501 HydrophobicContact CG-CG1 4.37Å; R336-T502 PolarHBondContact NH1-O 3.47Å; R336-M503 HydrophobicContact CB-CG 4.12Å; R336-M503 HydrophobicContact CB-SD 4.04Å; R336-F520 PolarHBondContact NE-O 3.26Å; R336-F520 PolarHBondContact NH2-O 3.25Å; R336-D522 IonicContact CZ-OD1 3.44Å; R336-D522 IonicContact CZ-OD2 2.74Å; R336-D522 IonicContact NH1-OD1 2.72Å; R336-D522 PolarHBondContact NH1-OD1 3.39Å; R336-D522 IonicContact NH1-OD2 2.8Å; R336-D522 PolarHBondContact NH1-OD2 2.89Å; R336-D522 IonicContact NH2-OD1 3.24Å; R336-D522 PolarHBondContact NH2-OD1 3.02Å; R336-D522 IonicContact NH2-OD2 3.51Å; R336-D522 PolarHBondContact NH2-OD2 2.96Å; R336-D522 VanDerWaalsContact NH2-OD2 3.16Å
337	K	94.9	Very high	94.2	Very high	88 Å²	88	37.1 Å²	37.1	38%	0.383	19%	0.188	S	C	.	.	H	α-helix	trans	-53.9	-43.2	178	-76.3	177.6	-173.4	178.4	0	111.5	E279 L333 T334 F340 K341 M503	E279-K337 IonicContact OE1-NZ 2.9Å; E279-K337 PolarHBondContact OE1-NZ 3.48Å; L333-K337 WeakPolarHBondContact O-CB 3.39Å; L333-K337 VanDerWaalsContact O-CG 3.28Å; L333-K337 WeakPolarHBondContact O-CG 3.44Å; L333-K337 PolarHBondContact O-N 2.96Å; T334-K337 PolarHBondContact O-N 3.45Å; K337-F340 PolarHBondContact O-N 2.8Å; K337-K341 WeakPolarHBondContact O-CB 3.31Å; K337-K341 PolarHBondContact O-N 2.86Å; K337-M503 HydrophobicContact CG-CE 4.35Å
338	Q	92.7	Very high	94.1	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-53.7	177.2	-179	-177.9	-24	0	0	111	L286 N287 T334 L335 R336 F340 K341 T342	L286-Q338 VanDerWaalsContact CB-OE1 3.31Å; L286-Q338 PolarHBondContact O-NE2 2.97Å; L286-Q338 VanDerWaalsContact O-NE2 3.08Å; N287-Q338 PolarHBondContact OD1-NE2 2.76Å; T334-Q338 WeakPolarHBondContact O-CB 3.2Å; T334-Q338 PolarHBondContact O-N 3.35Å; L335-Q338 PolarHBondContact O-N 2.85Å; R336-Q338 PolarHBondContact O-N 3.38Å; Q338-F340 VanDerWaalsContact C-N 3.32Å; Q338-F340 PolarHBondContact O-N 2.69Å; Q338-K341 PolarHBondContact O-N 2.95Å; Q338-K341 VanDerWaalsContact O-N 3.16Å; Q338-T342 PolarHBondContact O-N 2.71Å; Q338-T342 PolarHBondContact O-OG1 3.49Å
339	I	95.2	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-44.8	179.7	-67.3	167	0	0	0	111.4	L335 R336 G343 V351 V501 L510	L335-I339 HydrophobicContact CG-CD1 4.19Å; L335-I339 WeakPolarHBondContact O-CG1 3.44Å; L335-I339 PolarHBondContact O-N 2.71Å; L335-I339 VanDerWaalsContact O-N 3.12Å; R336-I339 PolarHBondContact O-N 2.8Å; R336-I339 VanDerWaalsContact O-N 3.16Å; I339-G343 VanDerWaalsContact O-CA 3.24Å; I339-G343 WeakPolarHBondContact O-CA 3.39Å; I339-G343 PolarHBondContact O-N 3.09Å; I339-V351 HydrophobicContact CG2-CG1 4.35Å; I339-V501 HydrophobicContact CG2-CG2 4.14Å; I339-L510 HydrophobicContact CD1-CD1 4.14Å; I339-L510 HydrophobicContact CG2-CD2 4.11Å
340	F	95.7	Very high	94.5	Very high	43 Å²	43	39.9 Å²	39.9	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-35.6	179.7	-86.1	-90.9	0	0	0	113.1	R336 K337 Q338 V501 M503 D506 R508	R336-F340 VanDerWaalsContact O-CD2 3.31Å; R336-F340 WeakPolarHBondContact O-CD2 3.28Å; R336-F340 PolarHBondContact O-N 2.89Å; K337-F340 PolarHBondContact O-N 2.8Å; Q338-F340 VanDerWaalsContact C-N 3.32Å; Q338-F340 PolarHBondContact O-N 2.69Å; F340-V501 HydrophobicContact CE2-CB 4.31Å; F340-V501 HydrophobicContact CE2-CG2 3.85Å; F340-M503 HydrophobicContact CD1-CB 4.38Å; F340-M503 HydrophobicContact CD2-CB 4.04Å; F340-M503 HydrophobicContact CD2-CG 3.52Å; F340-M503 HydrophobicContact CE1-CB 4.14Å; F340-M503 HydrophobicContact CE2-CB 3.75Å; F340-M503 HydrophobicContact CE2-CG 3.47Å; F340-M503 VanDerWaalsContact CE2-CG 3.47Å; F340-M503 HydrophobicContact CG-CB 4.33Å; F340-M503 HydrophobicContact CG-CG 4.13Å; F340-M503 HydrophobicContact CZ-CB 3.79Å; F340-M503 HydrophobicContact CZ-CG 4.06Å; F340-D506 HydrophobicContact CD1-CB 4.44Å; F340-D506 HydrophobicContact CE1-CB 3.67Å; F340-D506 HydrophobicContact CZ-CB 4.46Å; F340-R508 HydrophobicContact CD1-CG 4.26Å; F340-R508 HydrophobicContact CE1-CG 3.93Å; F340-R508 HydrophobicContact CE2-CG 4.43Å; F340-R508 HydrophobicContact CZ-CG 4.05Å
341	K	93.2	Very high	94.5	Very high	186 Å²	186	41.3 Å²	41.3	81%	0.809	22%	0.22	S	C	*	.	H	α-helix	trans	-76.5	-42.7	-177.8	-176.9	-179.5	178	-175.1	0	112.5	K337 Q338	K337-K341 WeakPolarHBondContact O-CB 3.31Å; K337-K341 PolarHBondContact O-N 2.86Å; Q338-K341 PolarHBondContact O-N 2.95Å; Q338-K341 VanDerWaalsContact O-N 3.16Å
342	T	91.8	Very high	94.5	Very high	73 Å²	73	44.8 Å²	44.8	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-107.2	-21.5	-170.7	66	0	0	0	0	113.3	Q338 V344	Q338-T342 PolarHBondContact O-N 2.71Å; Q338-T342 PolarHBondContact O-OG1 3.49Å; T342-V344 PolarHBondContact O-N 3.22Å; T342-V344 PolarHBondContact OG1-N 3.1Å; T342-V344 VanDerWaalsContact OG1-N 3.07Å; T342-V344 PolarHBondContact OG1-O 3.33Å
343	G	92.6	Very high	94.6	Very high	27 Å²	27	43.1 Å²	43.1	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	69.8	6.8	-167.9	0	0	0	0	0	113.7	I339	I339-G343 VanDerWaalsContact O-CA 3.24Å; I339-G343 WeakPolarHBondContact O-CA 3.39Å; I339-G343 PolarHBondContact O-N 3.09Å
344	V	93.8	Very high	94.8	Very high	45 Å²	45	41 Å²	41	27%	0.273	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-111.6	133.6	-176.5	-177.2	0	0	0	0	109.4	T342	T342-V344 PolarHBondContact O-N 3.22Å; T342-V344 PolarHBondContact OG1-N 3.1Å; T342-V344 VanDerWaalsContact OG1-N 3.07Å; T342-V344 PolarHBondContact OG1-O 3.33Å
345	R	95.2	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.			trans	-87.2	171.5	-179.6	-64.1	160.7	68.5	175.3	6.4	111	H289 D347 G348 R349 T350 G353 L510 V511 D512 E517	H289-R345 PolarHBondContact CE1-O 2.91Å; R345-D347 PolarHBondContact O-N 2.67Å; R345-G348 PolarHBondContact O-N 3.19Å; R345-R349 WeakPolarHBondContact CB-O 3.39Å; R345-R349 VanDerWaalsContact CZ-CZ 3.41Å; R345-R349 PolarHBondContact N-O 3.39Å; R345-R349 VanDerWaalsContact NH1-NH1 3.11Å; R345-T350 WeakPolarHBondContact CD-O 3.41Å; R345-G353 PolarHBondContact NH1-O 3.03Å; R345-L510 HydrophobicContact CG-CD2 4.5Å; R345-V511 PolarHBondContact NH1-O 3.48Å; R345-V511 PolarHBondContact NH2-O 2.89Å; R345-D512 PolarHBondContact NH2-O 2.87Å; R345-E517 IonicContact CZ-OE1 3.83Å; R345-E517 IonicContact CZ-OE2 3.94Å; R345-E517 IonicContact NE-OE1 3.19Å; R345-E517 PolarHBondContact NE-OE1 3.38Å; R345-E517 IonicContact NE-OE2 3.83Å; R345-E517 VanDerWaalsContact NH2-CD 3.34Å; R345-E517 IonicContact NH2-OE1 2.96Å; R345-E517 PolarHBondContact NH2-OE1 2.99Å; R345-E517 IonicContact NH2-OE2 3.93Å; R345-E517 PolarHBondContact NH2-OE2 2.87Å
346	R	93.2	Very high	95	Very high	13 Å²	13	46.4 Å²	46.4	5%	0.049	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.6	-177.6	-173.3	-84.8	-69	178.4	-9.6	112.8	L286 H289 L291 L335 G348	L286-R346 HydrophobicContact CD2-CG 4.17Å; H289-R346 PolarHBondContact ND1-O 2.85Å; L291-R346 PolarHBondContact O-NH1 2.72Å; L335-R346 HydrophobicContact CD1-CB 4.34Å; R346-G348 VanDerWaalsContact C-N 3.29Å; R346-G348 PolarHBondContact O-N 2.94Å
347	D	93.3	Very high	95.1	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	14.9	-179.4	62.8	2.1	0	0	0	113.7	R345 R349	R345-D347 PolarHBondContact O-N 2.67Å; D347-R349 VanDerWaalsContact C-N 3.3Å; D347-R349 PolarHBondContact O-N 3.45Å; D347-R349 WeakPolarHBondContact OD1-CB 3.2Å; D347-R349 IonicContact OD1-CZ 2.91Å; D347-R349 PolarHBondContact OD1-N 3.32Å; D347-R349 IonicContact OD1-NE 3.75Å; D347-R349 PolarHBondContact OD1-NE 3.13Å; D347-R349 IonicContact OD1-NH2 3.37Å; D347-R349 IonicContact OD2-CZ 3.16Å; D347-R349 IonicContact OD2-NE 3.75Å; D347-R349 PolarHBondContact OD2-NE 2.95Å; D347-R349 IonicContact OD2-NH2 3.07Å; D347-R349 PolarHBondContact OD2-NH2 3.47Å
348	G	93.3	Very high	95.3	Very high	37 Å²	37	46.1 Å²	46.1	38%	0.381	26%	0.263	S	S	.	.	S	Bend	trans	83.2	-3	176.4	0	0	0	0	0	114.8	H289 R345 R346	H289-G348 PolarHBondContact ND1-N 3.28Å; R345-G348 PolarHBondContact O-N 3.19Å; R346-G348 VanDerWaalsContact C-N 3.29Å; R346-G348 PolarHBondContact O-N 2.94Å
349	R	95.8	Very high	95.6	Very high	26 Å²	26	46.3 Å²	46.3	10%	0.098	27%	0.265	C	S	.	.			trans	-73.4	153.1	177.1	-68.5	-177.1	-66.4	151.9	-8.7	112.3	R345 D347 G353 L354 V511 D512	R345-R349 WeakPolarHBondContact CB-O 3.39Å; R345-R349 VanDerWaalsContact CZ-CZ 3.41Å; R345-R349 PolarHBondContact N-O 3.39Å; R345-R349 VanDerWaalsContact NH1-NH1 3.11Å; D347-R349 VanDerWaalsContact C-N 3.3Å; D347-R349 PolarHBondContact O-N 3.45Å; D347-R349 WeakPolarHBondContact OD1-CB 3.2Å; D347-R349 IonicContact OD1-CZ 2.91Å; D347-R349 PolarHBondContact OD1-N 3.32Å; D347-R349 IonicContact OD1-NE 3.75Å; D347-R349 PolarHBondContact OD1-NE 3.13Å; D347-R349 IonicContact OD1-NH2 3.37Å; D347-R349 IonicContact OD2-CZ 3.16Å; D347-R349 IonicContact OD2-NE 3.75Å; D347-R349 PolarHBondContact OD2-NE 2.95Å; D347-R349 IonicContact OD2-NH2 3.07Å; D347-R349 PolarHBondContact OD2-NH2 3.47Å; R349-G353 PolarHBondContact NH1-O 2.81Å; R349-L354 WeakPolarHBondContact CD-O 3.35Å; R349-V511 PolarHBondContact NH1-O 2.85Å; R349-D512 PolarHBondContact NH1-O 2.81Å; R349-D512 IonicContact NH1-OD2 2.71Å; R349-D512 PolarHBondContact NH1-OD2 3.39Å; R349-D512 PolarHBondContact NH2-O 3.04Å
350	T	96.4	Very high	95.7	Very high	73 Å²	73	50.8 Å²	50.8	45%	0.448	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-70.9	168.3	161.8	56.4	0	0	0	0	111	R345 D352 G353	R345-T350 WeakPolarHBondContact CD-O 3.41Å; T350-D352 VanDerWaalsContact CB-OD1 3.23Å; T350-D352 WeakPolarHBondContact CB-OD1 3.39Å; T350-D352 PolarHBondContact O-N 3Å; T350-D352 PolarHBondContact OG1-OD1 3.19Å; T350-G353 PolarHBondContact O-N 3.03Å; T350-G353 VanDerWaalsContact O-N 3.11Å; T350-G353 PolarHBondContact OG1-N 3.47Å
351	V	96.5	Very high	95.8	Very high	39 Å²	39	50.3 Å²	50.3	24%	0.236	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.3	179.3	-64.2	0	0	0	0	113.6	I339 L510 V511	I339-V351 HydrophobicContact CG2-CG1 4.35Å; V351-L510 HydrophobicContact CB-CD2 4.18Å; V351-L510 HydrophobicContact CG1-CD2 3.94Å; V351-L510 CarbonylContact O-C 3.53Å; V351-L510 WeakPolarHBondContact O-CA 3.2Å; V351-V511 PolarHBondContact O-N 2.99Å
352	D	96.5	Very high	96	Very high	84 Å²	84	45 Å²	45	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.1	179.9	65.7	-33.3	0	0	0	113.8	T350 V511 R565	T350-D352 VanDerWaalsContact CB-OD1 3.23Å; T350-D352 WeakPolarHBondContact CB-OD1 3.39Å; T350-D352 PolarHBondContact O-N 3Å; T350-D352 PolarHBondContact OG1-OD1 3.19Å; D352-V511 HydrophobicContact CB-CG2 4.44Å; D352-R565 PolarHBondContact O-NH1 3.47Å
353	G	96.6	Very high	96.3	Very high	11 Å²	11	43.6 Å²	43.6	11%	0.113	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-77.5	133.1	-176.1	0	0	0	0	0	113.8	R345 R349 T350	R345-G353 PolarHBondContact NH1-O 3.03Å; R349-G353 PolarHBondContact NH1-O 2.81Å; T350-G353 PolarHBondContact O-N 3.03Å; T350-G353 VanDerWaalsContact O-N 3.11Å; T350-G353 PolarHBondContact OG1-N 3.47Å
354	L	97.9	Very high	96.4	Very high	25 Å²	25	49.4 Å²	49.4	13%	0.131	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-83.3	146.8	168.3	-65.4	175	0	0	0	110.4	R349 V496 V511 D512 A562 R565 I566	R349-L354 WeakPolarHBondContact CD-O 3.35Å; L354-V496 HydrophobicContact CD2-CG2 4.41Å; L354-V511 HydrophobicContact CD2-CG1 3.88Å; L354-D512 HydrophobicContact CD2-CB 3.75Å; L354-A562 HydrophobicContact CD2-CB 4.36Å; L354-R565 HydrophobicContact CD1-CB 3.86Å; L354-I566 HydrophobicContact CD1-CG1 3.86Å; L354-I566 HydrophobicContact CD2-CD1 4.15Å; L354-I566 HydrophobicContact CD2-CG1 4.25Å
355	R	97.7	Very high	96.3	Very high	12 Å²	12	56 Å²	56	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.2	159.4	165.1	-71.1	170.6	-72.1	-165.9	-10.5	110.7	I357 R375 N467 D512 I513	R355-I357 PolarHBondContact O-N 2.99Å; R355-R375 HydrophobicContact CB-CG 3.95Å; R355-N467 PolarHBondContact NH1-O 3.08Å; R355-D512 WeakPolarHBondContact CB-OD2 3.32Å; R355-D512 WeakPolarHBondContact CG-OD2 3.44Å; R355-D512 IonicContact CZ-OD1 2.71Å; R355-D512 IonicContact CZ-OD2 3Å; R355-D512 PolarHBondContact N-OD2 3.04Å; R355-D512 IonicContact NE-OD1 3.6Å; R355-D512 PolarHBondContact NE-OD1 2.86Å; R355-D512 IonicContact NE-OD2 3.59Å; R355-D512 PolarHBondContact NE-OD2 2.89Å; R355-D512 IonicContact NH2-OD1 3.58Å; R355-D512 PolarHBondContact NH2-OD1 2.9Å; R355-D512 IonicContact NH2-OD2 2.71Å; R355-I513 PolarHBondContact NH2-O 3.1Å
356	P	97	Very high	96.2	Very high	107 Å²	107	61.1 Å²	61.1	70%	0.695	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.4	170.4	-24.2	34.1	0	0	0	110.7	R375 G376	P356-R375 CarbonylContact O-C 3.49Å; P356-R375 WeakPolarHBondContact O-CA 3.42Å; P356-G376 PolarHBondContact O-N 3.27Å
357	I	98.6	Very high	96.3	Very high	28 Å²	28	62.8 Å²	62.8	14%	0.144	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.9	179.7	-65.8	169.9	0	0	0	109	R355 F373 Q374 R375 I566 I569	R355-I357 PolarHBondContact O-N 2.99Å; I357-F373 HydrophobicContact CD1-CZ 4.15Å; I357-F373 HydrophobicContact CG1-CZ 4.3Å; I357-F373 HydrophobicContact CG2-CD2 4.26Å; I357-F373 HydrophobicContact CG2-CE2 3.51Å; I357-F373 HydrophobicContact CG2-CZ 3.74Å; I357-Q374 CarbonylContact C-O 3.54Å; I357-Q374 WeakPolarHBondContact CA-O 3.35Å; I357-R375 HydrophobicContact CD1-CG 4.3Å; I357-R375 HydrophobicContact CG1-CB 4Å; I357-R375 HydrophobicContact CG1-CG 3.77Å; I357-I566 HydrophobicContact CD1-CB 4.47Å; I357-I566 HydrophobicContact CD1-CG1 3.83Å; I357-I566 HydrophobicContact CD1-CG2 4.24Å; I357-I569 HydrophobicContact CB-CD1 4.33Å; I357-I569 HydrophobicContact CB-CG2 4.02Å; I357-I569 HydrophobicContact CD1-CD1 3.98Å; I357-I569 HydrophobicContact CG2-CG2 3.74Å
358	D	98.3	Very high	96.5	Very high	79 Å²	79	61.8 Å²	61.8	42%	0.422	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.2	169.1	-174.3	52.3	0	0	0	109.7	Q360 Q374	D358-Q360 PolarHBondContact OD2-NE2 3.08Å; D358-Q374 HydrophobicContact CB-CB 4.38Å; D358-Q374 PolarHBondContact N-O 3.41Å; D358-Q374 PolarHBondContact O-N 3.3Å
359	C	98.3	Very high	96.7	Very high	16 Å²	16	60 Å²	60	11%	0.108	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.6	-173.5	-65.6	0	0	0	0	109.3	F373 M480 C573	C359-F373 VanDerWaalsContact SG-CD2 3.58Å; C359-M480 HydrophobicContact CB-CE 4.02Å; C359-M480 HydrophobicContact CB-SD 3.81Å; C359-C573 VanDerWaalsContact C-SG 3.55Å; C359-C573 HydrophobicContact CB-CB 3.61Å; C359-C573 PolarHBondContact O-SG 3.06Å
360	Q	98.4	Very high	96.9	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.3	175.4	-61.2	176	36.7	0	0	109.7	D358 L363 A371 V372	D358-Q360 PolarHBondContact OD2-NE2 3.08Å; Q360-L363 HydrophobicContact CB-CD2 3.91Å; Q360-A371 CarbonylContact O-C 3.58Å; Q360-A371 WeakPolarHBondContact O-CA 3.5Å; Q360-A371 WeakPolarHBondContact O-CB 3.2Å; Q360-V372 HydrophobicContact CB-CB 4.49Å; Q360-V372 PolarHBondContact N-O 3.47Å; Q360-V372 PolarHBondContact O-N 3.34Å
361	V	98.3	Very high	97	Very high	33 Å²	33	55.3 Å²	55.3	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	167	175.2	-65.1	0	0	0	0	110.1	L363 S370 A371 M480 D484 I574	V361-L363 PolarHBondContact O-N 3.3Å; V361-S370 WeakPolarHBondContact CA-O 3.41Å; V361-A371 HydrophobicContact CG1-CB 3.99Å; V361-M480 HydrophobicContact CG1-CB 3.98Å; V361-D484 HydrophobicContact CB-CB 4.16Å; V361-D484 HydrophobicContact CG1-CB 4.43Å; V361-I574 HydrophobicContact CG1-CB 4.33Å; V361-I574 HydrophobicContact CG1-CG2 3.79Å; V361-I574 HydrophobicContact CG2-CB 4.49Å
362	D	97	Very high	97.1	Very high	73 Å²	73	54.1 Å²	54.1	39%	0.39	28%	0.282	S	S	.	.			trans	59.7	42.9	174.5	-155.3	16	0	0	0	114.7	Y364 S370 D484 R578 K582	D362-Y364 PolarHBondContact O-N 3.33Å; D362-S370 PolarHBondContact N-O 2.98Å; D362-S370 VanDerWaalsContact N-O 3.15Å; D362-D484 PolarHBondContact N-OD2 3.09Å; D362-R578 VanDerWaalsContact CB-NH2 3.35Å; D362-R578 VanDerWaalsContact CG-NH2 3.32Å; D362-R578 IonicContact OD2-CZ 3.48Å; D362-R578 IonicContact OD2-NH2 3.45Å; D362-R578 PolarHBondContact OD2-NH2 3.31Å; D362-K582 IonicContact OD1-NZ 2.99Å; D362-K582 PolarHBondContact OD1-NZ 3.02Å
363	L	96.9	Very high	97.2	Very high	44 Å²	44	50.1 Å²	50.1	23%	0.23	26%	0.26	C	S	.	.			trans	-65.2	-41	-172	-56.9	169.1	0	0	0	112.8	Q360 V361 S370 V372 L381	Q360-L363 HydrophobicContact CB-CD2 3.91Å; V361-L363 PolarHBondContact O-N 3.3Å; L363-S370 PolarHBondContact N-OG 3.19Å; L363-V372 HydrophobicContact CD1-CB 4.37Å; L363-V372 HydrophobicContact CD1-CG2 3.56Å; L363-V372 HydrophobicContact CD2-CG2 4.45Å; L363-L381 HydrophobicContact CD1-CD1 3.36Å
364	Y	95.5	Very high	97.3	Very high	149 Å²	149	52 Å²	52	58%	0.584	27%	0.266	S	S	*	.			trans	-140.1	128.1	-174.4	-55.5	-72.6	0	0	0	111.9	D362 P366 L367	D362-Y364 PolarHBondContact O-N 3.33Å; Y364-P366 VanDerWaalsContact C-CD 3.48Å; Y364-L367 HydrophobicContact CD2-CD1 3.84Å; Y364-L367 HydrophobicContact CG-CD1 4.4Å; Y364-L367 PolarHBondContact O-N 2.72Å; Y364-L367 VanDerWaalsContact O-N 3.12Å
365	K	91.9	Very high	97.3	Very high	185 Å²	185	50.8 Å²	50.8	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.9	-177	-62.6	-176.5	178.6	-179.4	0	115.2	L367 N584	K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.46Å; K365-N584 PolarHBondContact O-ND2 3.1Å; K365-N584 VanDerWaalsContact O-ND2 3.08Å
366	P	93.3	Very high	97.2	Very high	107 Å²	107	51.3 Å²	51.3	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.6	-179.8	-21.9	35.6	0	0	0	114.8	Y364 N584	Y364-P366 VanDerWaalsContact C-CD 3.48Å; P366-N584 PolarHBondContact O-ND2 3.15Å
367	L	95.7	Very high	97.2	Very high	48 Å²	48	48.9 Å²	48.9	25%	0.251	25%	0.248	S	C	.	.	S	Bend	trans	-80.9	139.6	-180	-59.2	178.7	0	0	0	110.4	Y364 K365 G369 T383 N584	Y364-L367 HydrophobicContact CD2-CD1 3.84Å; Y364-L367 HydrophobicContact CG-CD1 4.4Å; Y364-L367 PolarHBondContact O-N 2.72Å; Y364-L367 VanDerWaalsContact O-N 3.12Å; K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.46Å; L367-G369 VanDerWaalsContact C-N 3.3Å; L367-G369 PolarHBondContact O-N 2.85Å; L367-T383 HydrophobicContact CD1-CG2 3.8Å; L367-N584 PolarHBondContact O-ND2 2.95Å
368	H	97.1	Very high	97.1	Very high	26 Å²	26	47.5 Å²	47.5	12%	0.12	24%	0.241	C	C	.	.	S	Bend	trans	-67	-35.9	177.1	-55.8	159.5	0	0	0	111.2	V384 F386 S485 K582 N584	H368-V384 WeakPolarHBondContact CB-O 3.36Å; H368-F386 HydrophobicContact CB-CD2 3.69Å; H368-F386 HydrophobicContact CB-CE2 3.79Å; H368-F386 AromaticContact CG-CD2 3.77Å; H368-F386 AromaticContact ND1-CD2 3.45Å; H368-F386 WeakPolarHBondContact ND1-CD2 3.49Å; H368-F386 AromaticContact ND1-CG 3.76Å; H368-F386 PolarHBondContact ND1-N 2.86Å; H368-S485 VanDerWaalsContact O-CA 3.26Å; H368-S485 WeakPolarHBondContact O-CA 3.24Å; H368-S485 WeakPolarHBondContact O-CB 3.35Å; H368-K582 WeakPolarHBondContact O-CD 3.4Å; H368-K582 VanDerWaalsContact O-CE 3.22Å; H368-K582 WeakPolarHBondContact O-CE 3.41Å; H368-K582 WeakPolarHBondContact O-CG 3.41Å; H368-N584 PolarHBondContact CD2-O 2.78Å; H368-N584 PolarHBondContact NE2-O 2.72Å
369	G	97.6	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	156.2	165.8	0	0	0	0	0	111.5	L367 T383 V384 D484	L367-G369 VanDerWaalsContact C-N 3.3Å; L367-G369 PolarHBondContact O-N 2.85Å; G369-T383 WeakPolarHBondContact O-CA 3.47Å; G369-V384 PolarHBondContact N-O 2.9Å; G369-V384 PolarHBondContact O-N 2.83Å; G369-D484 WeakPolarHBondContact CA-OD2 3.44Å
370	S	98.4	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	145.2	-179.5	57.9	0	0	0	0	111.1	V361 D362 L363 C382 D484	V361-S370 WeakPolarHBondContact CA-O 3.41Å; D362-S370 PolarHBondContact N-O 2.98Å; D362-S370 VanDerWaalsContact N-O 3.15Å; L363-S370 PolarHBondContact N-OG 3.19Å; S370-C382 CarbonylContact C-O 3.54Å; S370-C382 VanDerWaalsContact CA-O 3.25Å; S370-C382 WeakPolarHBondContact CA-O 3.34Å; S370-D484 PolarHBondContact N-OD2 2.75Å
371	A	98.7	Very high	97.2	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	-147.7	144.6	169.1	0	0	0	0	0	111.3	Q360 V361 C382 A477 M480 A481	Q360-A371 CarbonylContact O-C 3.58Å; Q360-A371 WeakPolarHBondContact O-CA 3.5Å; Q360-A371 WeakPolarHBondContact O-CB 3.2Å; V361-A371 HydrophobicContact CG1-CB 3.99Å; A371-C382 PolarHBondContact N-O 3.44Å; A371-C382 PolarHBondContact O-N 2.84Å; A371-A477 WeakPolarHBondContact CB-O 3.35Å; A371-M480 HydrophobicContact CB-CB 3.64Å; A371-M480 HydrophobicContact CB-CE 4.29Å; A371-A481 HydrophobicContact CB-CB 3.92Å
372	V	98.6	Very high	97.2	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.085	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.9	163.4	165.9	0	0	0	0	107.6	Q360 L363 Q379 V380 L381	Q360-V372 HydrophobicContact CB-CB 4.49Å; Q360-V372 PolarHBondContact N-O 3.47Å; Q360-V372 PolarHBondContact O-N 3.34Å; L363-V372 HydrophobicContact CD1-CB 4.37Å; L363-V372 HydrophobicContact CD1-CG2 3.56Å; L363-V372 HydrophobicContact CD2-CG2 4.45Å; V372-Q379 HydrophobicContact CG1-CG 3.82Å; V372-V380 WeakPolarHBondContact CA-O 3.38Å; V372-L381 HydrophobicContact CG2-CB 4.15Å; V372-L381 HydrophobicContact CG2-CD1 3.76Å
373	F	98.7	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.7	169.5	-177.1	-92.9	0	0	0	108.2	I357 C359 R375 Q379 V380 A473 C476 A477 M480 I566 M570	I357-F373 HydrophobicContact CD1-CZ 4.15Å; I357-F373 HydrophobicContact CG1-CZ 4.3Å; I357-F373 HydrophobicContact CG2-CD2 4.26Å; I357-F373 HydrophobicContact CG2-CE2 3.51Å; I357-F373 HydrophobicContact CG2-CZ 3.74Å; C359-F373 VanDerWaalsContact SG-CD2 3.58Å; F373-R375 HydrophobicContact CD1-CB 4.41Å; F373-R375 HydrophobicContact CE1-CB 3.66Å; F373-R375 HydrophobicContact CZ-CB 4.28Å; F373-Q379 WeakPolarHBondContact O-CA 3.36Å; F373-V380 PolarHBondContact N-O 3.19Å; F373-V380 PolarHBondContact O-N 3.19Å; F373-A473 HydrophobicContact CD1-CB 3.85Å; F373-A473 HydrophobicContact CE1-CB 4.26Å; F373-C476 HydrophobicContact CB-CB 4.46Å; F373-C476 HydrophobicContact CD1-CB 3.92Å; F373-C476 HydrophobicContact CD2-CB 3.49Å; F373-C476 VanDerWaalsContact CD2-CB 3.49Å; F373-C476 HydrophobicContact CE1-CB 3.92Å; F373-C476 HydrophobicContact CE2-CB 3.5Å; F373-C476 HydrophobicContact CG-CB 3.7Å; F373-C476 HydrophobicContact CZ-CB 3.73Å; F373-A477 HydrophobicContact CB-CB 3.68Å; F373-M480 HydrophobicContact CB-CE 3.8Å; F373-M480 HydrophobicContact CD2-CE 3.66Å; F373-M480 HydrophobicContact CG-CE 4.21Å; F373-I566 HydrophobicContact CE2-CG2 4.22Å; F373-I566 HydrophobicContact CZ-CG2 4.07Å; F373-M570 HydrophobicContact CE2-CG 4.09Å; F373-M570 HydrophobicContact CE2-SD 4.47Å
374	Q	98.5	Very high	97.3	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.2	174.5	-175.3	155	8.7	0	0	109.4	I357 D358 G376 T378 Q379	I357-Q374 CarbonylContact C-O 3.54Å; I357-Q374 WeakPolarHBondContact CA-O 3.35Å; D358-Q374 HydrophobicContact CB-CB 4.38Å; D358-Q374 PolarHBondContact N-O 3.41Å; D358-Q374 PolarHBondContact O-N 3.3Å; Q374-G376 VanDerWaalsContact CG-O 3.24Å; Q374-G376 WeakPolarHBondContact CG-O 3.4Å; Q374-G376 PolarHBondContact NE2-O 3.34Å; Q374-T378 CarbonylContact C-O 3.59Å; Q374-T378 WeakPolarHBondContact CA-O 3.11Å; Q374-Q379 HydrophobicContact CB-CB 4.47Å; Q374-Q379 HydrophobicContact CB-CG 4.2Å; Q374-Q379 HydrophobicContact CG-CB 4.31Å; Q374-Q379 HydrophobicContact CG-CG 4.45Å
375	R	98.2	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	99.2	173.2	179.9	163.1	63.2	-168.6	-4.6	109.2	R355 P356 I357 F373 Q377 T378 G495 D512	R355-R375 HydrophobicContact CB-CG 3.95Å; P356-R375 CarbonylContact O-C 3.49Å; P356-R375 WeakPolarHBondContact O-CA 3.42Å; I357-R375 HydrophobicContact CD1-CG 4.3Å; I357-R375 HydrophobicContact CG1-CB 4Å; I357-R375 HydrophobicContact CG1-CG 3.77Å; F373-R375 HydrophobicContact CD1-CB 4.41Å; F373-R375 HydrophobicContact CE1-CB 3.66Å; F373-R375 HydrophobicContact CZ-CB 4.28Å; R375-Q377 PolarHBondContact O-N 2.89Å; R375-T378 PolarHBondContact N-O 3.11Å; R375-T378 PolarHBondContact O-N 3.43Å; R375-T378 VanDerWaalsContact O-N 3.15Å; R375-G495 PolarHBondContact NH1-O 2.84Å; R375-G495 PolarHBondContact NH2-O 3.04Å; R375-G495 VanDerWaalsContact NH2-O 3.17Å; R375-D512 WeakPolarHBondContact CD-OD1 3.3Å; R375-D512 WeakPolarHBondContact CD-OD2 3.31Å; R375-D512 IonicContact CZ-OD1 3.97Å; R375-D512 IonicContact NE-OD1 3.6Å; R375-D512 PolarHBondContact NE-OD1 2.85Å
376	G	96.3	Very high	97.6	Very high	22 Å²	22	23.3 Å²	23.3	23%	0.227	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-128.4	-164.5	0	0	0	0	0	110.8	P356 Q374 T378	P356-G376 PolarHBondContact O-N 3.27Å; Q374-G376 VanDerWaalsContact CG-O 3.24Å; Q374-G376 WeakPolarHBondContact CG-O 3.4Å; Q374-G376 PolarHBondContact NE2-O 3.34Å; G376-T378 PolarHBondContact O-N 2.78Å
377	Q	96.2	Very high	97.7	Very high	56 Å²	56	21.7 Å²	21.7	26%	0.262	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	34.4	177.1	-59.4	-179.9	-78.9	0	0	112.9	K293 R375 S466 N467	K293-Q377 VanDerWaalsContact CB-OE1 3.26Å; R375-Q377 PolarHBondContact O-N 2.89Å; Q377-S466 CarbonylContact O-C 3.58Å; Q377-S466 PolarHBondContact O-N 3.41Å; Q377-N467 HydrophobicContact CB-CB 3.64Å; Q377-N467 WeakPolarHBondContact O-CB 3.2Å; Q377-N467 PolarHBondContact O-N 3.44Å; Q377-N467 PolarHBondContact OE1-ND2 2.97Å
378	T	98.1	Very high	97.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.3	168.6	-67	0	0	0	0	107.7	Q374 R375 G376 E465 N467 G468 A473	Q374-T378 CarbonylContact C-O 3.59Å; Q374-T378 WeakPolarHBondContact CA-O 3.11Å; R375-T378 PolarHBondContact N-O 3.11Å; R375-T378 PolarHBondContact O-N 3.43Å; R375-T378 VanDerWaalsContact O-N 3.15Å; G376-T378 PolarHBondContact O-N 2.78Å; T378-E465 WeakPolarHBondContact CA-O 3.43Å; T378-N467 PolarHBondContact OG1-N 3.45Å; T378-N467 VanDerWaalsContact OG1-N 3.14Å; T378-G468 VanDerWaalsContact CG2-O 3.22Å; T378-G468 WeakPolarHBondContact CG2-O 3.35Å; T378-G468 PolarHBondContact OG1-N 3.23Å; T378-G468 PolarHBondContact OG1-O 2.8Å; T378-A473 HydrophobicContact CG2-CB 3.78Å
379	Q	98.4	Very high	97.2	Very high	39 Å²	39	21.2 Å²	21.2	18%	0.182	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.4	-177	-170.3	-173.9	78.7	0	0	109.4	V372 F373 Q374 L464 E465	V372-Q379 HydrophobicContact CG1-CG 3.82Å; F373-Q379 WeakPolarHBondContact O-CA 3.36Å; Q374-Q379 HydrophobicContact CB-CB 4.47Å; Q374-Q379 HydrophobicContact CB-CG 4.2Å; Q374-Q379 HydrophobicContact CG-CB 4.31Å; Q374-Q379 HydrophobicContact CG-CG 4.45Å; Q379-L464 HydrophobicContact CB-CB 4.31Å; Q379-L464 HydrophobicContact CG-CB 4.37Å; Q379-L464 HydrophobicContact CG-CD1 4.45Å; Q379-L464 PolarHBondContact O-N 2.83Å; Q379-L464 VanDerWaalsContact OE1-CD1 3.26Å; Q379-E465 HydrophobicContact CB-CB 3.9Å; Q379-E465 HydrophobicContact CB-CG 4.04Å; Q379-E465 PolarHBondContact N-O 3.45Å; Q379-E465 PolarHBondContact O-N 3.43Å
380	V	98.6	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129	178.8	178.4	0	0	0	0	109.6	V372 F373 S461 V463 A473 A477	V372-V380 WeakPolarHBondContact CA-O 3.38Å; F373-V380 PolarHBondContact N-O 3.19Å; F373-V380 PolarHBondContact O-N 3.19Å; V380-S461 VanDerWaalsContact CG1-OG 3.24Å; V380-S461 WeakPolarHBondContact CG1-OG 3.44Å; V380-V463 HydrophobicContact CG2-CG1 4.46Å; V380-V463 HydrophobicContact CG2-CG2 4.15Å; V380-A473 HydrophobicContact CB-CB 4.24Å; V380-A473 HydrophobicContact CG2-CB 3.58Å; V380-A477 HydrophobicContact CB-CB 4.44Å; V380-A477 HydrophobicContact CG1-CB 4.25Å
381	L	98.6	Very high	96.3	Very high	34 Å²	34	27.2 Å²	27.2	18%	0.178	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.1	167.9	169.9	63.1	0	0	0	108.7	L363 V372 T383 S461 D462 L464	L363-L381 HydrophobicContact CD1-CD1 3.36Å; V372-L381 HydrophobicContact CG2-CB 4.15Å; V372-L381 HydrophobicContact CG2-CD1 3.76Å; L381-T383 HydrophobicContact CD1-CG2 4.28Å; L381-T383 HydrophobicContact CG-CG2 4.31Å; L381-S461 WeakPolarHBondContact O-CA 3.45Å; L381-D462 PolarHBondContact N-O 2.99Å; L381-D462 PolarHBondContact O-N 2.72Å; L381-L464 HydrophobicContact CB-CD1 3.87Å; L381-L464 HydrophobicContact CB-CG 4.23Å
382	C	98.7	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.5	169	-76.2	0	0	0	0	110.6	S370 A371 L459 A460 A477 A481	S370-C382 CarbonylContact C-O 3.54Å; S370-C382 VanDerWaalsContact CA-O 3.25Å; S370-C382 WeakPolarHBondContact CA-O 3.34Å; A371-C382 PolarHBondContact N-O 3.44Å; A371-C382 PolarHBondContact O-N 2.84Å; C382-L459 HydrophobicContact CB-CD2 4.31Å; C382-A460 CarbonylContact C-O 3.31Å; C382-A460 VanDerWaalsContact CA-O 3.24Å; C382-A460 WeakPolarHBondContact CA-O 3.28Å; C382-A477 HydrophobicContact CB-CB 3.87Å; C382-A477 WeakPolarHBondContact SG-CB 3.35Å; C382-A481 HydrophobicContact CB-CB 3.9Å
383	T	98.5	Very high	95.6	Very high	22 Å²	22	31.1 Å²	31.1	14%	0.135	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.5	172.9	61.3	0	0	0	0	110.2	L367 G369 L381 L459 A460	L367-T383 HydrophobicContact CD1-CG2 3.8Å; G369-T383 WeakPolarHBondContact O-CA 3.47Å; L381-T383 HydrophobicContact CD1-CG2 4.28Å; L381-T383 HydrophobicContact CG-CG2 4.31Å; T383-L459 WeakPolarHBondContact O-CA 3.43Å; T383-A460 PolarHBondContact N-O 3.43Å; T383-A460 PolarHBondContact O-N 2.85Å
384	V	98.4	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.9	176.9	176.8	0	0	0	0	109.1	H368 G369 F386 I457 R458 L459 A481 L482	H368-V384 WeakPolarHBondContact CB-O 3.36Å; G369-V384 PolarHBondContact N-O 2.9Å; G369-V384 PolarHBondContact O-N 2.83Å; V384-F386 HydrophobicContact CG1-CD1 4.27Å; V384-F386 HydrophobicContact CG1-CE1 3.72Å; V384-F386 HydrophobicContact CG1-CZ 3.9Å; V384-I457 HydrophobicContact CG1-CG2 4.02Å; V384-R458 WeakPolarHBondContact CA-O 3.48Å; V384-L459 HydrophobicContact CG2-CD1 4.09Å; V384-L459 HydrophobicContact CG2-CG 4.46Å; V384-A481 HydrophobicContact CG2-CB 3.85Å; V384-L482 HydrophobicContact CG2-CD2 4.16Å; V384-L482 HydrophobicContact CG2-CG 4.47Å
385	T	97.3	Very high	93.9	Very high	63 Å²	63	35.4 Å²	35.4	39%	0.387	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.6	173.2	-48.8	0	0	0	0	109	R458	T385-R458 PolarHBondContact N-O 2.92Å; T385-R458 PolarHBondContact O-N 2.89Å
386	F	96.6	Very high	93.1	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.4	178.7	-62.2	-50.4	0	0	0	108.7	H368 V384 F453 F455 T456 I457 S485 V487 L581 P586	H368-F386 HydrophobicContact CB-CD2 3.69Å; H368-F386 HydrophobicContact CB-CE2 3.79Å; H368-F386 AromaticContact CG-CD2 3.77Å; H368-F386 AromaticContact ND1-CD2 3.45Å; H368-F386 WeakPolarHBondContact ND1-CD2 3.49Å; H368-F386 AromaticContact ND1-CG 3.76Å; H368-F386 PolarHBondContact ND1-N 2.86Å; V384-F386 HydrophobicContact CG1-CD1 4.27Å; V384-F386 HydrophobicContact CG1-CE1 3.72Å; V384-F386 HydrophobicContact CG1-CZ 3.9Å; F386-F453 AromaticContact CD1-CE1 3.96Å; F386-F453 HydrophobicContact CD1-CE1 3.96Å; F386-F453 AromaticContact CE1-CE1 3.62Å; F386-F453 HydrophobicContact CE1-CE1 3.62Å; F386-F453 HydrophobicContact CE1-CZ 4.05Å; F386-F453 HydrophobicContact CZ-CE1 4.21Å; F386-F453 HydrophobicContact CZ-CZ 4.19Å; F386-F455 HydrophobicContact CB-CB 3.96Å; F386-F455 HydrophobicContact CB-CG 4.2Å; F386-F455 HydrophobicContact CD1-CB 4.16Å; F386-F455 HydrophobicContact CG-CB 4.28Å; F386-T456 VanDerWaalsContact CA-O 3.3Å; F386-T456 WeakPolarHBondContact CA-O 3.39Å; F386-I457 HydrophobicContact CD1-CG1 4.06Å; F386-I457 HydrophobicContact CE1-CG1 3.96Å; F386-I457 HydrophobicContact CE1-CG2 4.28Å; F386-S485 WeakPolarHBondContact CZ-OG 3.13Å; F386-V487 HydrophobicContact CE1-CG2 3.58Å; F386-V487 HydrophobicContact CZ-CG2 3.61Å; F386-L581 HydrophobicContact CD2-CD2 4.42Å; F386-L581 HydrophobicContact CE2-CD2 3.7Å; F386-L581 HydrophobicContact CZ-CD2 4.05Å; F386-P586 HydrophobicContact CB-CG 3.58Å; F386-P586 HydrophobicContact CG-CG 4.49Å
387	D	94.3	Very high	92.3	Very high	72 Å²	72	40.8 Å²	40.8	39%	0.385	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	175.1	174.5	-151.3	-27.7	0	0	0	109.5	A391 F455 T456 F631	D387-A391 HydrophobicContact CB-CB 3.68Å; D387-F455 CarbonylContact O-C 3.48Å; D387-F455 WeakPolarHBondContact O-CA 3.41Å; D387-F455 WeakPolarHBondContact O-CB 3.32Å; D387-T456 PolarHBondContact N-O 2.88Å; D387-T456 PolarHBondContact O-N 2.87Å; D387-F631 WeakPolarHBondContact OD1-CE1 3.24Å
388	S	91.8	Very high	91.5	Very high	7 Å²	7	38.9 Å²	38.9	5%	0.049	21%	0.209	C	C	.	.			trans	-64.2	164.1	178.9	84.4	0	0	0	0	112.2	Q390 A391 T456 Q619	S388-Q390 PolarHBondContact O-N 2.81Å; S388-Q390 VanDerWaalsContact O-N 3.14Å; S388-Q390 WeakPolarHBondContact OG-CB 3.47Å; S388-Q390 PolarHBondContact OG-N 3.27Å; S388-A391 WeakPolarHBondContact O-CB 3.45Å; S388-A391 PolarHBondContact O-N 3.43Å; S388-T456 VanDerWaalsContact O-CB 3.31Å; S388-T456 WeakPolarHBondContact O-CB 3.45Å; S388-T456 PolarHBondContact O-OG1 2.92Å; S388-Q619 PolarHBondContact OG-OE1 3.31Å
389	H	89.7	Confident	90.5	Very high	57 Å²	57	39.9 Å²	39.9	26%	0.264	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.3	-18.6	171.1	-70.1	176.7	0	0	0	113.6	A391 A392 F453 P454 T456	H389-A391 VanDerWaalsContact C-N 3.31Å; H389-A392 VanDerWaalsContact O-CB 3.27Å; H389-A392 WeakPolarHBondContact O-CB 3.24Å; H389-A392 PolarHBondContact O-N 3.02Å; H389-F453 PolarHBondContact NE2-O 3.24Å; H389-P454 PolarHBondContact CD2-O 2.77Å; H389-P454 VanDerWaalsContact NE2-C 3.32Å; H389-P454 PolarHBondContact NE2-O 2.86Å; H389-P454 VanDerWaalsContact NE2-O 3.13Å; H389-T456 WeakPolarHBondContact CA-OG1 3.24Å
390	Q	87.4	Confident	89.5	Confident	85 Å²	85	40.9 Å²	40.9	40%	0.397	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-72.6	-27.1	175	-61.7	-157.7	18.1	0	0	112.6	S388 A392 T621	S388-Q390 PolarHBondContact O-N 2.81Å; S388-Q390 VanDerWaalsContact O-N 3.14Å; S388-Q390 WeakPolarHBondContact OG-CB 3.47Å; S388-Q390 PolarHBondContact OG-N 3.27Å; Q390-A392 PolarHBondContact O-N 2.86Å; Q390-T621 PolarHBondContact NE2-OG1 2.98Å
391	A	91.2	Very high	88.6	Confident	42 Å²	42	43.3 Å²	43.3	35%	0.347	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-75.4	-8.3	175.6	0	0	0	0	0	113.3	D387 S388 H389	D387-A391 HydrophobicContact CB-CB 3.68Å; S388-A391 WeakPolarHBondContact O-CB 3.45Å; S388-A391 PolarHBondContact O-N 3.43Å; H389-A391 VanDerWaalsContact C-N 3.31Å
392	A	91.5	Very high	87.3	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	24%	0.235	C	C	.	.	S	Bend	trans	-57.2	140.8	173.3	0	0	0	0	0	110.6	H389 Q390 K394 E407 K408 R409 T456	H389-A392 VanDerWaalsContact O-CB 3.27Å; H389-A392 WeakPolarHBondContact O-CB 3.24Å; H389-A392 PolarHBondContact O-N 3.02Å; Q390-A392 PolarHBondContact O-N 2.86Å; A392-K394 PolarHBondContact O-N 2.93Å; A392-E407 HydrophobicContact CB-CG 3.73Å; A392-K408 WeakPolarHBondContact CB-O 3.48Å; A392-R409 HydrophobicContact CB-CG 4.25Å; A392-T456 HydrophobicContact CB-CG2 4.25Å; A392-T456 PolarHBondContact N-OG1 3.27Å
393	F	89.5	Confident	86	Confident	89 Å²	89	45.1 Å²	45.1	39%	0.39	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.8	174.5	168.6	-89.7	0	0	0	109.7	E407 K408 M411	F393-E407 CarbonylContact O-C 3.57Å; F393-E407 VanDerWaalsContact O-CA 3.25Å; F393-E407 WeakPolarHBondContact O-CA 3.35Å; F393-K408 HydrophobicContact CB-CB 4.19Å; F393-K408 HydrophobicContact CD1-CB 4.39Å; F393-K408 HydrophobicContact CD1-CD 4.23Å; F393-K408 HydrophobicContact CD1-CG 4.1Å; F393-K408 PolarHBondContact N-O 3.42Å; F393-K408 PolarHBondContact O-N 3.1Å; F393-M411 HydrophobicContact CB-SD 3.77Å
394	K	85.3	Confident	84.8	Confident	123 Å²	123	45 Å²	45	54%	0.535	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.6	177.5	-66.5	171.5	-171.8	173.1	0	109	A392	A392-K394 PolarHBondContact O-N 2.93Å
395	G	77.4	Confident	83.6	Confident	18 Å²	18	46.9 Å²	46.9	19%	0.186	28%	0.277	C	S	.	.			trans	-67	143	176.5	0	0	0	0	0	111.3	K406	G395-K406 PolarHBondContact N-O 3.46Å
396	D	80.6	Confident	82.6	Confident	62 Å²	62	51.5 Å²	51.5	33%	0.332	29%	0.292	S	S	.	.			trans	-68	168.5	168.1	75.8	8.2	0	0	0	111.1	V398 S399 L400	D396-V398 PolarHBondContact O-N 2.83Å; D396-V398 PolarHBondContact OD1-N 3.41Å; D396-S399 PolarHBondContact O-N 2.99Å; D396-S399 WeakPolarHBondContact OD1-CA 3.36Å; D396-S399 WeakPolarHBondContact OD1-CB 3.38Å; D396-S399 PolarHBondContact OD1-N 3.19Å; D396-S399 PolarHBondContact OD1-OG 3.19Å; D396-L400 WeakPolarHBondContact O-CB 3.14Å; D396-L400 PolarHBondContact O-N 3.06Å
397	V	79.9	Confident	82.1	Confident	72 Å²	72	54.5 Å²	54.5	44%	0.436	31%	0.306	S	S	.	.	H	α-helix	trans	-57.6	-38.7	-174.9	178.6	0	0	0	0	111.9	R98 L401	R98-V397 HydrophobicContact CG-CG1 4.35Å; V397-L401 HydrophobicContact CG1-CD1 4.16Å; V397-L401 WeakPolarHBondContact O-CD1 3.25Å; V397-L401 VanDerWaalsContact O-CG 3.25Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 2.88Å
398	V	79	Confident	81.8	Confident	17 Å²	17	53.4 Å²	53.4	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-73.2	-44.7	-178	177.1	0	0	0	0	110.5	A93 F96 R98 D396 L400 L401 G402	A93-V398 HydrophobicContact CB-CG1 4.01Å; A93-V398 HydrophobicContact CB-CG2 4Å; F96-V398 HydrophobicContact CD2-CG1 4.09Å; F96-V398 HydrophobicContact CE2-CG1 4.24Å; R98-V398 HydrophobicContact CB-CG2 4.26Å; D396-V398 PolarHBondContact O-N 2.83Å; D396-V398 PolarHBondContact OD1-N 3.41Å; V398-L400 VanDerWaalsContact C-N 3.32Å; V398-L400 PolarHBondContact O-N 2.96Å; V398-L401 PolarHBondContact O-N 3.36Å; V398-G402 PolarHBondContact O-N 3.37Å
399	S	77.6	Confident	81.9	Confident	20 Å²	20	56.9 Å²	56.9	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-42.8	177.3	-58.5	0	0	0	0	110.9	D396 L401 G402 G403 S404	D396-S399 PolarHBondContact O-N 2.99Å; D396-S399 WeakPolarHBondContact OD1-CA 3.36Å; D396-S399 WeakPolarHBondContact OD1-CB 3.38Å; D396-S399 PolarHBondContact OD1-N 3.19Å; D396-S399 PolarHBondContact OD1-OG 3.19Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.74Å; S399-G402 CarbonylContact O-C 3.41Å; S399-G402 PolarHBondContact O-N 3.17Å; S399-G402 VanDerWaalsContact O-N 3.15Å; S399-G403 PolarHBondContact O-N 3.07Å; S399-S404 VanDerWaalsContact O-CB 3.22Å; S399-S404 WeakPolarHBondContact O-CB 3.39Å; S399-S404 PolarHBondContact O-N 3.03Å; S399-S404 PolarHBondContact O-OG 3.27Å
400	L	78	Confident	82.2	Confident	60 Å²	60	54.8 Å²	54.8	31%	0.314	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-43.5	177.3	177.7	59.5	0	0	0	112.2	D396 V398 G402 G403 S404 K406	D396-L400 WeakPolarHBondContact O-CB 3.14Å; D396-L400 PolarHBondContact O-N 3.06Å; V398-L400 VanDerWaalsContact C-N 3.32Å; V398-L400 PolarHBondContact O-N 2.96Å; L400-G402 VanDerWaalsContact C-N 3.3Å; L400-G403 PolarHBondContact O-N 3.43Å; L400-S404 WeakPolarHBondContact CD1-O 3.43Å; L400-K406 HydrophobicContact CD1-CB 3.73Å; L400-K406 HydrophobicContact CD1-CG 4.43Å; L400-K406 HydrophobicContact CD2-CB 4.49Å; L400-K406 HydrophobicContact CD2-CG 4.31Å
401	L	78.5	Confident	82.6	Confident	52 Å²	52	51.9 Å²	51.9	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-68.5	-33.7	176.4	-66.8	169.9	0	0	0	111.4	F96 R98 Y146 V397 V398 S399 G403	F96-L401 HydrophobicContact CB-CB 4.23Å; F96-L401 HydrophobicContact CB-CD1 3.8Å; F96-L401 HydrophobicContact CD1-CB 3.58Å; F96-L401 HydrophobicContact CD2-CB 4.28Å; F96-L401 HydrophobicContact CE1-CB 3.95Å; F96-L401 WeakPolarHBondContact CE1-O 3.2Å; F96-L401 HydrophobicContact CG-CB 3.77Å; F96-L401 HydrophobicContact CG-CD1 4.28Å; F96-L401 HydrophobicContact CZ-CB 4.46Å; R98-L401 HydrophobicContact CG-CD1 3.79Å; Y146-L401 WeakPolarHBondContact CE1-O 3.37Å; V397-L401 HydrophobicContact CG1-CD1 4.16Å; V397-L401 WeakPolarHBondContact O-CD1 3.25Å; V397-L401 VanDerWaalsContact O-CG 3.25Å; V397-L401 WeakPolarHBondContact O-CG 3.48Å; V397-L401 PolarHBondContact O-N 2.88Å; V398-L401 PolarHBondContact O-N 3.36Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.74Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 2.8Å
402	G	72.9	Confident	82.9	Confident	16 Å²	16	50.5 Å²	50.5	17%	0.165	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	9.5	176.6	0	0	0	0	0	116.4	N91 F96 V398 S399 L400	N91-G402 PolarHBondContact ND2-O 3.41Å; F96-G402 VanDerWaalsContact CZ-CA 3.42Å; V398-G402 PolarHBondContact O-N 3.37Å; S399-G402 CarbonylContact O-C 3.41Å; S399-G402 PolarHBondContact O-N 3.17Å; S399-G402 VanDerWaalsContact O-N 3.15Å; L400-G402 VanDerWaalsContact C-N 3.3Å
403	G	71.3	Confident	83.1	Confident	55 Å²	55	54.5 Å²	54.5	57%	0.567	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.4	-1.6	172.7	0	0	0	0	0	115.7	S399 L400 L401	S399-G403 PolarHBondContact O-N 3.07Å; L400-G403 PolarHBondContact O-N 3.43Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 2.8Å
404	S	73	Confident	83.4	Confident	20 Å²	20	51 Å²	51	14%	0.14	28%	0.275	C	S	.	.			trans	-69.2	146.6	170.8	-62.4	0	0	0	0	111	S399 L400	S399-S404 VanDerWaalsContact O-CB 3.22Å; S399-S404 WeakPolarHBondContact O-CB 3.39Å; S399-S404 PolarHBondContact O-N 3.03Å; S399-S404 PolarHBondContact O-OG 3.27Å; L400-S404 WeakPolarHBondContact CD1-O 3.43Å
405	A	73	Confident	83.9	Confident	39 Å²	39	47.7 Å²	47.7	32%	0.322	27%	0.265	S	S	.	.			trans	-64	142	176	0	0	0	0	0	111.3	E407 K408	A405-E407 VanDerWaalsContact C-N 3.28Å; A405-E407 PolarHBondContact O-N 3.01Å; A405-K408 HydrophobicContact CB-CD 4.5Å; A405-K408 HydrophobicContact CB-CG 3.62Å
406	K	76.7	Confident	84.7	Confident	161 Å²	161	49.5 Å²	49.5	70%	0.7	27%	0.268	S	S	*	.	S	Bend	trans	-58.2	-45.1	174.5	-174	-178.6	176.5	-173.1	0	111.2	G395 L400	G395-K406 PolarHBondContact N-O 3.46Å; L400-K406 HydrophobicContact CD1-CB 3.73Å; L400-K406 HydrophobicContact CD1-CG 4.43Å; L400-K406 HydrophobicContact CD2-CB 4.49Å; L400-K406 HydrophobicContact CD2-CG 4.31Å
407	E	84.7	Confident	85.2	Confident	72 Å²	72	47.9 Å²	47.9	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	127.5	179.2	-172.1	-179	154.3	0	0	107.8	A392 F393 A405 R409	A392-E407 HydrophobicContact CB-CG 3.73Å; F393-E407 CarbonylContact O-C 3.57Å; F393-E407 VanDerWaalsContact O-CA 3.25Å; F393-E407 WeakPolarHBondContact O-CA 3.35Å; A405-E407 VanDerWaalsContact C-N 3.28Å; A405-E407 PolarHBondContact O-N 3.01Å; E407-R409 HydrophobicContact CG-CG 4.25Å; E407-R409 WeakPolarHBondContact OE1-CG 3.4Å; E407-R409 IonicContact OE1-CZ 3.16Å; E407-R409 IonicContact OE1-NE 3.3Å; E407-R409 PolarHBondContact OE1-NE 2.83Å; E407-R409 IonicContact OE1-NH2 2.97Å; E407-R409 PolarHBondContact OE1-NH2 2.88Å
408	K	89.2	Confident	85.8	Confident	49 Å²	49	45.9 Å²	45.9	21%	0.213	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	104.7	168.4	-63	-172.9	175.9	-174.9	0	109.3	A392 F393 A405 M411 E442	A392-K408 WeakPolarHBondContact CB-O 3.48Å; F393-K408 HydrophobicContact CB-CB 4.19Å; F393-K408 HydrophobicContact CD1-CB 4.39Å; F393-K408 HydrophobicContact CD1-CD 4.23Å; F393-K408 HydrophobicContact CD1-CG 4.1Å; F393-K408 PolarHBondContact N-O 3.42Å; F393-K408 PolarHBondContact O-N 3.1Å; A405-K408 HydrophobicContact CB-CD 4.5Å; A405-K408 HydrophobicContact CB-CG 3.62Å; K408-M411 HydrophobicContact CB-CG 4.09Å; K408-E442 IonicContact NZ-OE1 3.03Å; K408-E442 IonicContact NZ-OE2 3.09Å; K408-E442 PolarHBondContact NZ-OE2 2.99Å
409	R	93	Very high	86.5	Confident	80 Å²	80	51.2 Å²	51.2	30%	0.302	27%	0.272	S	S	.	.	S	Bend	trans	-80.6	-28.4	172.4	-65.2	-176.2	-179.2	178.4	-4.5	112.9	A392 E407 T456 I457	A392-R409 HydrophobicContact CB-CG 4.25Å; E407-R409 HydrophobicContact CG-CG 4.25Å; E407-R409 WeakPolarHBondContact OE1-CG 3.4Å; E407-R409 IonicContact OE1-CZ 3.16Å; E407-R409 IonicContact OE1-NE 3.3Å; E407-R409 PolarHBondContact OE1-NE 2.83Å; E407-R409 IonicContact OE1-NH2 2.97Å; E407-R409 PolarHBondContact OE1-NH2 2.88Å; R409-T456 CarbonylContact O-C 3.57Å; R409-T456 WeakPolarHBondContact O-CA 3.45Å; R409-T456 WeakPolarHBondContact O-CG2 3.38Å; R409-I457 PolarHBondContact O-N 3.17Å
410	F	96.1	Very high	87.3	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123	169.4	176.4	-116.1	0	0	0	108.5	E442 L445 R446 V449 I457 L459 L482	F410-E442 HydrophobicContact CD1-CG 4.17Å; F410-E442 HydrophobicContact CE1-CG 4.01Å; F410-E442 VanDerWaalsContact O-OE1 3.07Å; F410-L445 HydrophobicContact CE1-CB 3.95Å; F410-L445 HydrophobicContact CZ-CB 3.87Å; F410-L445 HydrophobicContact CZ-CD1 4.4Å; F410-R446 HydrophobicContact CD1-CB 4.04Å; F410-R446 HydrophobicContact CD1-CG 4.49Å; F410-R446 HydrophobicContact CE1-CB 4.34Å; F410-V449 HydrophobicContact CB-CG1 4.31Å; F410-V449 HydrophobicContact CD1-CG2 4.43Å; F410-V449 HydrophobicContact CD2-CG1 4.45Å; F410-V449 HydrophobicContact CD2-CG2 4.2Å; F410-V449 HydrophobicContact CE1-CG2 4.4Å; F410-V449 HydrophobicContact CE2-CG2 4.18Å; F410-V449 HydrophobicContact CG-CG1 4.36Å; F410-V449 HydrophobicContact CG-CG2 4.32Å; F410-V449 HydrophobicContact CZ-CG2 4.28Å; F410-I457 WeakPolarHBondContact CA-O 3.14Å; F410-I457 HydrophobicContact CD2-CB 4Å; F410-I457 HydrophobicContact CD2-CG2 3.86Å; F410-I457 HydrophobicContact CE2-CG2 4.2Å; F410-L459 HydrophobicContact CE2-CB 4.08Å; F410-L459 HydrophobicContact CE2-CD1 4.43Å; F410-L459 HydrophobicContact CZ-CB 4.49Å; F410-L482 HydrophobicContact CE2-CD1 4.33Å; F410-L482 HydrophobicContact CE2-CD2 4.22Å; F410-L482 HydrophobicContact CZ-CD1 4.45Å
411	M	95.6	Very high	88	Confident	24 Å²	24	49.2 Å²	49.2	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131	180	-64.3	172.1	-74	0	0	109.3	F393 K408 T456 I457 R458 L459	F393-M411 HydrophobicContact CB-SD 3.77Å; K408-M411 HydrophobicContact CB-CG 4.09Å; M411-T456 HydrophobicContact CE-CG2 3.35Å; M411-I457 PolarHBondContact N-O 3.38Å; M411-R458 WeakPolarHBondContact O-CA 3.25Å; M411-L459 PolarHBondContact O-N 3.31Å
412	L	97.2	Very high	88.6	Confident	12 Å²	12	53 Å²	53	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.6	171.7	-168.4	155.7	0	0	0	109.8	A441 E442 L445 L459 T474	L412-A441 HydrophobicContact CD1-CB 3.76Å; L412-A441 HydrophobicContact CD2-CB 4.21Å; L412-E442 HydrophobicContact CB-CB 3.79Å; L412-E442 HydrophobicContact CB-CG 3.83Å; L412-L445 HydrophobicContact CD1-CD1 3.99Å; L412-L459 CarbonylContact C-O 3.56Å; L412-L459 VanDerWaalsContact CA-O 3.3Å; L412-L459 WeakPolarHBondContact CA-O 3.47Å; L412-L459 HydrophobicContact CD1-CD2 3.69Å; L412-L459 HydrophobicContact CG-CB 4.43Å; L412-L459 HydrophobicContact CG-CD2 3.77Å; L412-T474 HydrophobicContact CD1-CG2 4.15Å; L412-T474 HydrophobicContact CD2-CG2 4.16Å
413	H	95.7	Very high	89.3	Confident	90 Å²	90	58.1 Å²	58.1	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125	173.6	-64.4	120.8	0	0	0	109.4	L459 A460 S461	H413-L459 PolarHBondContact N-O 2.97Å; H413-A460 CarbonylContact O-C 3.53Å; H413-A460 WeakPolarHBondContact O-CA 3.38Å; H413-S461 PolarHBondContact O-N 2.86Å
414	Y	96.8	Very high	90.2	Very high	17 Å²	17	64.1 Å²	64.1	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	-177.8	173.4	-80.1	0	0	0	109.3	F416 E434 H437 V463 S470 T474	Y414-F416 HydrophobicContact CE1-CB 3.87Å; Y414-F416 HydrophobicContact CE1-CD2 4.44Å; Y414-F416 WeakPolarHBondContact OH-CD2 3.49Å; Y414-E434 HydrophobicContact CD1-CB 3.91Å; Y414-E434 HydrophobicContact CD1-CG 4.13Å; Y414-E434 WeakPolarHBondContact CD1-O 3.25Å; Y414-E434 HydrophobicContact CE1-CB 4.31Å; Y414-E434 HydrophobicContact CE1-CG 4.13Å; Y414-H437 HydrophobicContact CD1-CB 4.01Å; Y414-H437 HydrophobicContact CD2-CB 4.22Å; Y414-H437 HydrophobicContact CE1-CB 3.82Å; Y414-H437 AromaticContact CE1-ND1 3.95Å; Y414-H437 HydrophobicContact CE2-CB 4.04Å; Y414-H437 HydrophobicContact CG-CB 4.2Å; Y414-H437 AromaticContact CZ-ND1 3.63Å; Y414-H437 PolarHBondContact OH-ND1 2.85Å; Y414-V463 HydrophobicContact CD2-CG2 4.45Å; Y414-V463 HydrophobicContact CE1-CG2 4.41Å; Y414-V463 HydrophobicContact CE2-CG2 3.62Å; Y414-S470 PolarHBondContact OH-OG 3.3Å; Y414-T474 HydrophobicContact CD2-CG2 4.37Å; Y414-T474 WeakPolarHBondContact CD2-OG1 3.25Å; Y414-T474 WeakPolarHBondContact CE2-OG1 3.49Å
415	T	95.4	Very high	90.8	Very high	53 Å²	53	66.9 Å²	66.9	33%	0.325	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.6	179	-45.2	0	0	0	0	109.4	S461 D462 V463	T415-S461 PolarHBondContact N-O 2.99Å; T415-D462 VanDerWaalsContact CB-OD1 3.28Å; T415-D462 WeakPolarHBondContact CB-OD1 3.26Å; T415-D462 PolarHBondContact OG1-OD1 3.19Å; T415-V463 WeakPolarHBondContact O-CG2 3.3Å; T415-V463 PolarHBondContact O-N 2.81Å
416	F	93.9	Very high	91.1	Very high	56 Å²	56	70.2 Å²	70.2	25%	0.246	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	93	173.5	-166.8	-85.5	0	0	0	109.9	Y414 A420 T421 E434 V463 S466	Y414-F416 HydrophobicContact CE1-CB 3.87Å; Y414-F416 HydrophobicContact CE1-CD2 4.44Å; Y414-F416 WeakPolarHBondContact OH-CD2 3.49Å; F416-A420 HydrophobicContact CZ-CB 4.5Å; F416-T421 HydrophobicContact CE1-CG2 4Å; F416-T421 HydrophobicContact CZ-CG2 3.72Å; F416-E434 WeakPolarHBondContact CA-OE1 3.18Å; F416-E434 HydrophobicContact CB-CG 3.9Å; F416-E434 WeakPolarHBondContact CB-OE1 3.31Å; F416-E434 PolarHBondContact N-OE1 3.01Å; F416-E434 VanDerWaalsContact O-OE1 3.12Å; F416-V463 HydrophobicContact CD2-CB 3.92Å; F416-V463 HydrophobicContact CD2-CG1 3.88Å; F416-V463 HydrophobicContact CD2-CG2 3.99Å; F416-V463 HydrophobicContact CE2-CB 4.44Å; F416-V463 HydrophobicContact CE2-CG1 3.88Å; F416-S466 VanDerWaalsContact CE2-CB 3.48Å; F416-S466 WeakPolarHBondContact CE2-OG 3.27Å
417	S	91.8	Very high	90.8	Very high	27 Å²	27	68 Å²	68	19%	0.189	36%	0.361	C	S	.	.			trans	-76.2	145.2	-176.3	-71.6	0	0	0	0	111.7	F419 A420	S417-F419 VanDerWaalsContact CB-CZ 3.44Å; S417-F419 PolarHBondContact O-N 3.34Å; S417-A420 WeakPolarHBondContact O-CB 3.49Å; S417-A420 PolarHBondContact O-N 3.16Å
418	P	92.8	Very high	90.1	Very high	30 Å²	30	75.4 Å²	75.4	20%	0.195	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.7	-29.7	-176.4	-24.9	35.7	0	0	0	114	A420 T421 N422 E423	P418-A420 PolarHBondContact O-N 3.1Å; P418-T421 PolarHBondContact O-N 3.28Å; P418-N422 PolarHBondContact O-N 3.32Å; P418-E423 CarbonylContact C-O 3.5Å; P418-E423 WeakPolarHBondContact CB-O 3.39Å; P418-E423 PolarHBondContact O-N 2.86Å
419	F	93.8	Very high	89.2	Confident	130 Å²	130	76.5 Å²	76.5	57%	0.57	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63.1	-21.6	176	62.8	-109.4	0	0	0	112.9	S417 T421 N422 L464	S417-F419 VanDerWaalsContact CB-CZ 3.44Å; S417-F419 PolarHBondContact O-N 3.34Å; F419-T421 PolarHBondContact O-N 3.27Å; F419-T421 VanDerWaalsContact O-N 3.17Å; F419-N422 PolarHBondContact O-N 3.09Å; F419-L464 HydrophobicContact CE2-CD2 4.27Å; F419-L464 HydrophobicContact CZ-CD2 4.45Å
420	A	94.1	Very high	88.3	Confident	9 Å²	9	78.2 Å²	78.2	7%	0.074	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-65.5	-18.7	179.8	0	0	0	0	0	113.6	F416 S417 P418 V463 L464 S466	F416-A420 HydrophobicContact CZ-CB 4.5Å; S417-A420 WeakPolarHBondContact O-CB 3.49Å; S417-A420 PolarHBondContact O-N 3.16Å; P418-A420 PolarHBondContact O-N 3.1Å; A420-V463 HydrophobicContact CB-CG1 4.12Å; A420-L464 WeakPolarHBondContact CA-O 3.41Å; A420-S466 PolarHBondContact O-N 3.49Å
421	T	92.5	Very high	87.7	Confident	29 Å²	29	81.1 Å²	81.1	18%	0.178	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-119.8	13.3	172.3	56.3	0	0	0	0	113	F416 P418 F419 E423	F416-T421 HydrophobicContact CE1-CG2 4Å; F416-T421 HydrophobicContact CZ-CG2 3.72Å; P418-T421 PolarHBondContact O-N 3.28Å; F419-T421 PolarHBondContact O-N 3.27Å; F419-T421 VanDerWaalsContact O-N 3.17Å; T421-E423 VanDerWaalsContact C-N 3.33Å; T421-E423 WeakPolarHBondContact CB-OE1 3.42Å; T421-E423 VanDerWaalsContact OG1-CD 3.23Å; T421-E423 PolarHBondContact OG1-OE1 3.46Å
422	N	91.2	Very high	87.4	Confident	131 Å²	131	84.3 Å²	84.3	70%	0.701	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	40.8	-173.8	-165.4	31.5	0	0	0	113.3	P418 F419	P418-N422 PolarHBondContact O-N 3.32Å; F419-N422 PolarHBondContact O-N 3.09Å
423	E	88.5	Confident	87	Confident	123 Å²	123	90.4 Å²	90.4	58%	0.575	47%	0.474	S	S	*	.			trans	-113.2	157.8	-179.4	-72.2	174.1	-136.7	0	0	112.5	P418 T421	P418-E423 CarbonylContact C-O 3.5Å; P418-E423 WeakPolarHBondContact CB-O 3.39Å; P418-E423 PolarHBondContact O-N 2.86Å; T421-E423 VanDerWaalsContact C-N 3.33Å; T421-E423 WeakPolarHBondContact CB-OE1 3.42Å; T421-E423 VanDerWaalsContact OG1-CD 3.23Å; T421-E423 PolarHBondContact OG1-OE1 3.46Å
424	I	89.3	Confident	86.8	Confident	181 Å²	181	88.2 Å²	88.2	93%	0.928	46%	0.464	S	S	*	.			trans	-103.5	121.5	171.6	-59	175.1	0	0	0	108.3
425	S	85	Confident	86.6	Confident	79 Å²	79	89 Å²	89	55%	0.552	47%	0.469	S	S	*	.			trans	-145.4	154.7	175.8	178.3	0	0	0	0	111.8
426	T	79.9	Confident	86.6	Confident	108 Å²	108	86.7 Å²	86.7	66%	0.663	46%	0.455	S	S	*	.			trans	-88.4	120.6	176	59.9	0	0	0	0	110.2	R428	T426-R428 PolarHBondContact O-N 3.09Å
427	S	69.4	Low	86.6	Confident	116 Å²	116	84.7 Å²	84.7	81%	0.811	45%	0.447	S	S	*	.			trans	-73.3	49.3	179.1	-40.3	0	0	0	0	113.7
428	R	70	Confident	86.8	Confident	227 Å²	227	83.6 Å²	83.6	86%	0.857	44%	0.44	S	S	*	.			trans	-104.1	112.8	-177	-68	-173.8	-178.5	-175.9	2.3	111.7	T426	T426-R428 PolarHBondContact O-N 3.09Å
429	G	72.3	Confident	86.9	Confident	72 Å²	72	82.6 Å²	82.6	74%	0.742	43%	0.434	S	S	*	.	S	Bend	trans	97.6	179	167.7	0	0	0	0	0	114.9	N431	G429-N431 PolarHBondContact O-N 3.22Å
430	I	72.2	Confident	87.1	Confident	115 Å²	115	76.5 Å²	76.5	59%	0.59	41%	0.407	S	S	*	.			trans	-80.3	112.1	-178.9	-60.3	171.3	0	0	0	108.8	I115 R432	I115-I430 HydrophobicContact CD1-CG2 3.8Å; I430-R432 PolarHBondContact O-N 2.84Å
431	N	84.9	Confident	87.3	Confident	75 Å²	75	76 Å²	76	40%	0.401	40%	0.404	S	S	.	.			trans	-78.8	113	174.2	-174.4	-20.1	0	0	0	109.9	G429 R433 E434 L435	G429-N431 PolarHBondContact O-N 3.22Å; N431-R433 PolarHBondContact O-N 2.8Å; N431-R433 VanDerWaalsContact O-N 3.15Å; N431-R433 WeakPolarHBondContact OD1-CB 3.46Å; N431-R433 PolarHBondContact OD1-N 2.93Å; N431-E434 HydrophobicContact CB-CB 4.03Å; N431-E434 HydrophobicContact CB-CG 3.85Å; N431-E434 VanDerWaalsContact CB-OE2 3.32Å; N431-E434 WeakPolarHBondContact CB-OE2 3.24Å; N431-E434 PolarHBondContact O-N 3.39Å; N431-L435 PolarHBondContact O-N 2.93Å; N431-L435 VanDerWaalsContact O-N 3.09Å
432	R	89.8	Confident	87.5	Confident	90 Å²	90	75.3 Å²	75.3	34%	0.34	40%	0.398	S	S	.	.	H	α-helix	trans	-55.9	-33.6	179.4	-60.1	-170.9	178.9	-170.3	-2.3	112.2	V87 D88 I115 R119 I430 G436	V87-R432 PolarHBondContact O-NH1 3.3Å; D88-R432 IonicContact OD1-CZ 3.12Å; D88-R432 IonicContact OD1-NH1 2.71Å; D88-R432 IonicContact OD1-NH2 2.8Å; D88-R432 PolarHBondContact OD1-NH2 2.92Å; I115-R432 HydrophobicContact CG2-CB 3.83Å; I115-R432 HydrophobicContact CG2-CG 3.67Å; R119-R432 WeakPolarHBondContact CD-O 3.4Å; R119-R432 PolarHBondContact NE-O 3.33Å; R119-R432 PolarHBondContact NH1-O 2.85Å; I430-R432 PolarHBondContact O-N 2.84Å; R432-G436 PolarHBondContact O-N 2.92Å
433	R	87.2	Confident	87.7	Confident	140 Å²	140	71.8 Å²	71.8	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-44.6	-179	-170.2	176.6	-173.3	171.8	2.3	111.6	N431 G436 H437	N431-R433 PolarHBondContact O-N 2.8Å; N431-R433 VanDerWaalsContact O-N 3.15Å; N431-R433 WeakPolarHBondContact OD1-CB 3.46Å; N431-R433 PolarHBondContact OD1-N 2.93Å; R433-G436 PolarHBondContact O-N 3.13Å; R433-H437 PolarHBondContact O-N 2.68Å
434	E	91.7	Very high	88.1	Confident	44 Å²	44	65.9 Å²	65.9	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-46.9	175.8	-70.1	179.6	155.9	0	0	111.2	Y414 F416 N431 G436 H437 G438	Y414-E434 HydrophobicContact CD1-CB 3.91Å; Y414-E434 HydrophobicContact CD1-CG 4.13Å; Y414-E434 WeakPolarHBondContact CD1-O 3.25Å; Y414-E434 HydrophobicContact CE1-CB 4.31Å; Y414-E434 HydrophobicContact CE1-CG 4.13Å; F416-E434 WeakPolarHBondContact CA-OE1 3.18Å; F416-E434 HydrophobicContact CB-CG 3.9Å; F416-E434 WeakPolarHBondContact CB-OE1 3.31Å; F416-E434 PolarHBondContact N-OE1 3.01Å; F416-E434 VanDerWaalsContact O-OE1 3.12Å; N431-E434 HydrophobicContact CB-CB 4.03Å; N431-E434 HydrophobicContact CB-CG 3.85Å; N431-E434 VanDerWaalsContact CB-OE2 3.32Å; N431-E434 WeakPolarHBondContact CB-OE2 3.24Å; N431-E434 PolarHBondContact O-N 3.39Å; E434-G436 VanDerWaalsContact C-N 3.31Å; E434-G436 PolarHBondContact O-N 2.86Å; E434-H437 PolarHBondContact O-N 3.14Å; E434-G438 PolarHBondContact O-N 3.46Å
435	L	93.6	Very high	88.6	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-42.2	176	-179	66.8	0	0	0	111.7	D112 I115 L116 N431 G438 A439	D112-L435 HydrophobicContact CB-CD1 4.15Å; D112-L435 HydrophobicContact CB-CD2 3.91Å; I115-L435 HydrophobicContact CB-CD2 3.79Å; I115-L435 HydrophobicContact CD1-CD2 3.94Å; I115-L435 HydrophobicContact CG1-CD2 4.45Å; I115-L435 HydrophobicContact CG2-CD2 3.79Å; L116-L435 HydrophobicContact CD2-CG 4.33Å; L116-L435 HydrophobicContact CG-CD2 4.45Å; N431-L435 PolarHBondContact O-N 2.93Å; N431-L435 VanDerWaalsContact O-N 3.09Å; L435-G438 PolarHBondContact O-N 2.74Å; L435-A439 VanDerWaalsContact O-CB 3.27Å; L435-A439 WeakPolarHBondContact O-CB 3.32Å; L435-A439 PolarHBondContact O-N 3.13Å
436	G	93.9	Very high	89.1	Confident	4 Å²	4	58.3 Å²	58.3	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-43.4	176.9	0	0	0	0	0	113.3	R432 R433 E434 L440	R432-G436 PolarHBondContact O-N 2.92Å; R433-G436 PolarHBondContact O-N 3.13Å; E434-G436 VanDerWaalsContact C-N 3.31Å; E434-G436 PolarHBondContact O-N 2.86Å; G436-L440 PolarHBondContact O-N 2.88Å; G436-L440 VanDerWaalsContact O-N 3.07Å
437	H	94.6	Very high	89.6	Confident	15 Å²	15	54.2 Å²	54.2	7%	0.069	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-43.9	176.5	-74.4	-168.8	0	0	0	111.6	Y414 R433 E434 L440 A441	Y414-H437 HydrophobicContact CD1-CB 4.01Å; Y414-H437 HydrophobicContact CD2-CB 4.22Å; Y414-H437 HydrophobicContact CE1-CB 3.82Å; Y414-H437 AromaticContact CE1-ND1 3.95Å; Y414-H437 HydrophobicContact CE2-CB 4.04Å; Y414-H437 HydrophobicContact CG-CB 4.2Å; Y414-H437 AromaticContact CZ-ND1 3.63Å; Y414-H437 PolarHBondContact OH-ND1 2.85Å; R433-H437 PolarHBondContact O-N 2.68Å; E434-H437 PolarHBondContact O-N 3.14Å; H437-L440 PolarHBondContact O-N 3.22Å; H437-A441 PolarHBondContact O-N 3.38Å
438	G	96.1	Very high	90.9	Very high	4 Å²	4	48.8 Å²	48.8	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-46.2	175.2	0	0	0	0	0	111.8	E434 L435 L440 A441 E442	E434-G438 PolarHBondContact O-N 3.46Å; L435-G438 PolarHBondContact O-N 2.74Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 3.47Å; G438-A441 PolarHBondContact O-N 3.13Å; G438-E442 VanDerWaalsContact O-CB 3.27Å; G438-E442 WeakPolarHBondContact O-CB 3.39Å; G438-E442 PolarHBondContact O-N 3.34Å
439	A	95.7	Very high	92.2	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-38	177.5	0	0	0	0	0	112.8	L116 L435 E442 K443	L116-A439 HydrophobicContact CD1-CB 3.77Å; L116-A439 HydrophobicContact CD2-CB 3.65Å; L116-A439 HydrophobicContact CG-CB 4.38Å; L435-A439 VanDerWaalsContact O-CB 3.27Å; L435-A439 WeakPolarHBondContact O-CB 3.32Å; L435-A439 PolarHBondContact O-N 3.13Å; A439-E442 PolarHBondContact O-N 3.01Å; A439-K443 WeakPolarHBondContact O-CB 3.31Å; A439-K443 VanDerWaalsContact O-CG 3.25Å; A439-K443 WeakPolarHBondContact O-CG 3.27Å; A439-K443 PolarHBondContact O-N 3.31Å
440	L	97.4	Very high	93.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-48.2	175.3	178.1	62.3	0	0	0	111.4	G436 H437 G438 E442 K443 A444 M472 K526 A536 Q538	G436-L440 PolarHBondContact O-N 2.88Å; G436-L440 VanDerWaalsContact O-N 3.07Å; H437-L440 PolarHBondContact O-N 3.22Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 3.47Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 2.91Å; L440-K443 PolarHBondContact O-N 2.87Å; L440-A444 PolarHBondContact O-N 3.31Å; L440-A444 VanDerWaalsContact O-N 3.08Å; L440-M472 HydrophobicContact CD2-CE 3.61Å; L440-M472 HydrophobicContact CG-CE 3.98Å; L440-K526 HydrophobicContact CD2-CB 4.1Å; L440-K526 HydrophobicContact CD2-CD 3.78Å; L440-A536 HydrophobicContact CD1-CB 4.06Å; L440-Q538 HydrophobicContact CD1-CB 3.91Å; L440-Q538 HydrophobicContact CD2-CB 3.77Å; L440-Q538 HydrophobicContact CD2-CG 4.44Å; L440-Q538 HydrophobicContact CG-CB 4.49Å
441	A	97.9	Very high	94	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-36.9	177.9	0	0	0	0	0	111.9	L412 H437 G438 A444 L445 T474 V475	L412-A441 HydrophobicContact CD1-CB 3.76Å; L412-A441 HydrophobicContact CD2-CB 4.21Å; H437-A441 PolarHBondContact O-N 3.38Å; G438-A441 PolarHBondContact O-N 3.13Å; A441-A444 PolarHBondContact O-N 2.63Å; A441-L445 PolarHBondContact O-N 2.91Å; A441-L445 VanDerWaalsContact O-N 3.1Å; A441-T474 HydrophobicContact CB-CG2 3.78Å; A441-V475 HydrophobicContact CB-CG2 3.85Å
442	E	97.2	Very high	94.1	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.8	-162.2	-175.7	-166.2	0	0	110.8	K408 F410 L412 G438 A439 L440 A444 L445 R446	K408-E442 IonicContact NZ-OE1 3.03Å; K408-E442 IonicContact NZ-OE2 3.09Å; K408-E442 PolarHBondContact NZ-OE2 2.99Å; F410-E442 HydrophobicContact CD1-CG 4.17Å; F410-E442 HydrophobicContact CE1-CG 4.01Å; F410-E442 VanDerWaalsContact O-OE1 3.07Å; L412-E442 HydrophobicContact CB-CB 3.79Å; L412-E442 HydrophobicContact CB-CG 3.83Å; G438-E442 VanDerWaalsContact O-CB 3.27Å; G438-E442 WeakPolarHBondContact O-CB 3.39Å; G438-E442 PolarHBondContact O-N 3.34Å; A439-E442 PolarHBondContact O-N 3.01Å; L440-E442 VanDerWaalsContact C-N 3.31Å; L440-E442 PolarHBondContact O-N 2.91Å; E442-A444 VanDerWaalsContact C-N 3.33Å; E442-A444 PolarHBondContact O-N 2.72Å; E442-L445 PolarHBondContact O-N 3.11Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 3.07Å; E442-R446 IonicContact OE1-CZ 2.73Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.84Å; E442-R446 IonicContact OE2-CZ 3.39Å; E442-R446 IonicContact OE2-NH2 3.26Å; E442-R446 PolarHBondContact OE2-NH2 3.42Å
443	K	95.3	Very high	94.2	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.248	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.3	-75.9	170.7	-174.9	-177	0	111.5	E217 A439 L440 L445 A536	E217-K443 IonicContact OE1-NZ 3.45Å; E217-K443 PolarHBondContact OE1-NZ 3.15Å; A439-K443 WeakPolarHBondContact O-CB 3.31Å; A439-K443 VanDerWaalsContact O-CG 3.25Å; A439-K443 WeakPolarHBondContact O-CG 3.27Å; A439-K443 PolarHBondContact O-N 3.31Å; L440-K443 PolarHBondContact O-N 2.87Å; K443-L445 PolarHBondContact O-N 2.67Å; K443-A536 HydrophobicContact CB-CB 4.38Å
444	A	97.8	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-42.2	-179.3	0	0	0	0	0	112.8	L440 A441 E442 V475 A528 T535 A536	L440-A444 PolarHBondContact O-N 3.31Å; L440-A444 VanDerWaalsContact O-N 3.08Å; A441-A444 PolarHBondContact O-N 2.63Å; E442-A444 VanDerWaalsContact C-N 3.33Å; E442-A444 PolarHBondContact O-N 2.72Å; A444-V475 HydrophobicContact CB-CG1 4.04Å; A444-V475 HydrophobicContact CB-CG2 3.74Å; A444-A528 HydrophobicContact CB-CB 3.61Å; A444-T535 WeakPolarHBondContact O-CB 3.42Å; A444-T535 PolarHBondContact O-OG1 3.48Å; A444-A536 HydrophobicContact CB-CB 3.78Å
445	L	98.1	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-86.3	-32.2	-176.5	-67.4	174	0	0	0	113.3	F410 L412 A441 E442 K443 A447 V448 V449 L459 V475 L482 V493	F410-L445 HydrophobicContact CE1-CB 3.95Å; F410-L445 HydrophobicContact CZ-CB 3.87Å; F410-L445 HydrophobicContact CZ-CD1 4.4Å; L412-L445 HydrophobicContact CD1-CD1 3.99Å; A441-L445 PolarHBondContact O-N 2.91Å; A441-L445 VanDerWaalsContact O-N 3.1Å; E442-L445 PolarHBondContact O-N 3.11Å; K443-L445 PolarHBondContact O-N 2.67Å; L445-A447 PolarHBondContact O-N 2.78Å; L445-A447 VanDerWaalsContact O-N 3.1Å; L445-V448 WeakPolarHBondContact O-CG2 3.44Å; L445-V448 PolarHBondContact O-N 3.13Å; L445-V449 WeakPolarHBondContact O-CG2 3.33Å; L445-V449 PolarHBondContact O-N 2.91Å; L445-L459 HydrophobicContact CD1-CD1 4.36Å; L445-V475 HydrophobicContact CD2-CG1 4.24Å; L445-L482 HydrophobicContact CD1-CD1 4.43Å; L445-V493 HydrophobicContact CD2-CB 4.17Å
446	R	95.3	Very high	94.6	Very high	100 Å²	100	36 Å²	36	38%	0.377	17%	0.17	S	C	.	.	H	α-helix	trans	-56.6	-31.5	-177.7	-177.8	-179.9	-68.7	137.2	-3.9	112.8	F410 E442 V448	F410-R446 HydrophobicContact CD1-CB 4.04Å; F410-R446 HydrophobicContact CD1-CG 4.49Å; F410-R446 HydrophobicContact CE1-CB 4.34Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 3.07Å; E442-R446 IonicContact OE1-CZ 2.73Å; E442-R446 IonicContact OE1-NH2 2.68Å; E442-R446 PolarHBondContact OE1-NH2 2.84Å; E442-R446 IonicContact OE2-CZ 3.39Å; E442-R446 IonicContact OE2-NH2 3.26Å; E442-R446 PolarHBondContact OE2-NH2 3.42Å; R446-V448 VanDerWaalsContact C-N 3.27Å; R446-V448 PolarHBondContact O-N 3.49Å
447	A	92.1	Very high	94.8	Very high	23 Å²	23	36 Å²	36	19%	0.19	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.1	178.2	0	0	0	0	0	113.5	G220 L445 T535	G220-A447 VanDerWaalsContact O-CB 3.28Å; G220-A447 WeakPolarHBondContact O-CB 3.38Å; L445-A447 PolarHBondContact O-N 2.78Å; L445-A447 VanDerWaalsContact O-N 3.1Å; A447-T535 HydrophobicContact CB-CG2 4.3Å
448	V	96	Very high	94.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-13	-176.5	-59.9	0	0	0	0	113.3	L445 R446 I489 R490 C491 V493	L445-V448 WeakPolarHBondContact O-CG2 3.44Å; L445-V448 PolarHBondContact O-N 3.13Å; R446-V448 VanDerWaalsContact C-N 3.27Å; R446-V448 PolarHBondContact O-N 3.49Å; V448-I489 HydrophobicContact CB-CB 4.43Å; V448-I489 HydrophobicContact CG2-CB 4.22Å; V448-I489 CarbonylContact O-C 3.57Å; V448-I489 VanDerWaalsContact O-CA 3.24Å; V448-I489 WeakPolarHBondContact O-CA 3.49Å; V448-R490 PolarHBondContact O-N 2.79Å; V448-C491 WeakPolarHBondContact CB-O 3.28Å; V448-V493 HydrophobicContact CB-CG2 4.21Å; V448-V493 HydrophobicContact CG1-CG2 3.51Å; V448-V493 HydrophobicContact CG2-CG2 3.64Å
449	V	96.6	Very high	95	Very high	16 Å²	16	41 Å²	41	10%	0.097	19%	0.187	C	C	.	.	S	Bend	trans	-73.6	130.5	175.4	173.5	0	0	0	0	109.6	F410 L445 R451 I457 L482 I489	F410-V449 HydrophobicContact CB-CG1 4.31Å; F410-V449 HydrophobicContact CD1-CG2 4.43Å; F410-V449 HydrophobicContact CD2-CG1 4.45Å; F410-V449 HydrophobicContact CD2-CG2 4.2Å; F410-V449 HydrophobicContact CE1-CG2 4.4Å; F410-V449 HydrophobicContact CE2-CG2 4.18Å; F410-V449 HydrophobicContact CG-CG1 4.36Å; F410-V449 HydrophobicContact CG-CG2 4.32Å; F410-V449 HydrophobicContact CZ-CG2 4.28Å; L445-V449 WeakPolarHBondContact O-CG2 3.33Å; L445-V449 PolarHBondContact O-N 2.91Å; V449-R451 PolarHBondContact O-N 3.49Å; V449-I457 HydrophobicContact CG1-CD1 3.9Å; V449-L482 HydrophobicContact CG2-CD1 3.88Å; V449-I489 HydrophobicContact CG2-CG2 4.34Å
450	P	94.4	Very high	95.2	Very high	36 Å²	36	41.1 Å²	41.1	23%	0.234	19%	0.187	C	C	.	.			trans	-61.3	137.4	179.4	25.3	-35.4	0	0	0	111.7	F453 V487 P488	P450-F453 HydrophobicContact CG-CB 4.2Å; P450-F453 HydrophobicContact CG-CD2 4.14Å; P450-F453 HydrophobicContact CG-CG 4.46Å; P450-V487 HydrophobicContact CG-CG1 4.13Å; P450-P488 HydrophobicContact CG-CG 4.18Å
451	R	87.6	Confident	95.2	Very high	222 Å²	222	41 Å²	41	84%	0.838	19%	0.187	S	C	*	.	S	Bend	trans	-66.9	-41.4	176	-66.7	-176	-179	-174.2	-0.2	111.9	V449	V449-R451 PolarHBondContact O-N 3.49Å
452	E	88	Confident	95.2	Very high	161 Å²	161	43.5 Å²	43.5	75%	0.752	20%	0.2	S	C	*	.	S	Bend	trans	-96.2	100.6	174.7	-61.3	-54.7	144.8	0	0	108.8
453	F	92.3	Very high	95.2	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.088	20%	0.197	C	C	.	.			trans	-137.3	136.7	172.1	-168.3	-108.4	0	0	0	107.8	F386 H389 P450 F455 I457 V487 P488 L581	F386-F453 AromaticContact CD1-CE1 3.96Å; F386-F453 HydrophobicContact CD1-CE1 3.96Å; F386-F453 AromaticContact CE1-CE1 3.62Å; F386-F453 HydrophobicContact CE1-CE1 3.62Å; F386-F453 HydrophobicContact CE1-CZ 4.05Å; F386-F453 HydrophobicContact CZ-CE1 4.21Å; F386-F453 HydrophobicContact CZ-CZ 4.19Å; H389-F453 PolarHBondContact NE2-O 3.24Å; P450-F453 HydrophobicContact CG-CB 4.2Å; P450-F453 HydrophobicContact CG-CD2 4.14Å; P450-F453 HydrophobicContact CG-CG 4.46Å; F453-F455 HydrophobicContact CD1-CB 4.07Å; F453-F455 HydrophobicContact CD1-CD2 4.44Å; F453-F455 WeakPolarHBondContact CD1-O 3.24Å; F453-F455 HydrophobicContact CE1-CB 3.95Å; F453-F455 AromaticContact CE1-CD2 3.84Å; F453-F455 HydrophobicContact CE1-CD2 3.84Å; F453-F455 HydrophobicContact CE1-CG 4.4Å; F453-F455 HydrophobicContact CZ-CD2 4.29Å; F453-F455 PolarHBondContact O-N 3.1Å; F453-I457 HydrophobicContact CD1-CD1 3.67Å; F453-I457 HydrophobicContact CD1-CG1 3.79Å; F453-I457 HydrophobicContact CE1-CD1 3.97Å; F453-I457 HydrophobicContact CE1-CG1 3.98Å; F453-I457 HydrophobicContact CG-CD1 4.26Å; F453-V487 HydrophobicContact CE1-CG2 4.16Å; F453-V487 HydrophobicContact CE2-CG1 4.48Å; F453-V487 HydrophobicContact CE2-CG2 4.38Å; F453-V487 HydrophobicContact CZ-CB 4.49Å; F453-V487 HydrophobicContact CZ-CG2 3.85Å; F453-P488 HydrophobicContact CE2-CG 4.49Å; F453-L581 HydrophobicContact CZ-CD2 4.02Å
454	P	90.4	Very high	95.3	Very high	60 Å²	60	42.5 Å²	42.5	39%	0.39	20%	0.198	S	C	.	.	S	Bend	trans	-63.3	-14.5	-172.9	22.2	-32.6	0	0	0	113.8	H389	H389-P454 PolarHBondContact CD2-O 2.77Å; H389-P454 VanDerWaalsContact NE2-C 3.32Å; H389-P454 PolarHBondContact NE2-O 2.86Å; H389-P454 VanDerWaalsContact NE2-O 3.13Å
455	F	94.3	Very high	95.3	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.044	21%	0.213	C	C	.	.	S	Bend	trans	-122.3	154.3	-176.6	-52.6	-64.5	0	0	0	113.1	F386 D387 F453 L581 P586 E588 F631	F386-F455 HydrophobicContact CB-CB 3.96Å; F386-F455 HydrophobicContact CB-CG 4.2Å; F386-F455 HydrophobicContact CD1-CB 4.16Å; F386-F455 HydrophobicContact CG-CB 4.28Å; D387-F455 CarbonylContact O-C 3.48Å; D387-F455 WeakPolarHBondContact O-CA 3.41Å; D387-F455 WeakPolarHBondContact O-CB 3.32Å; F453-F455 HydrophobicContact CD1-CB 4.07Å; F453-F455 HydrophobicContact CD1-CD2 4.44Å; F453-F455 WeakPolarHBondContact CD1-O 3.24Å; F453-F455 HydrophobicContact CE1-CB 3.95Å; F453-F455 AromaticContact CE1-CD2 3.84Å; F453-F455 HydrophobicContact CE1-CD2 3.84Å; F453-F455 HydrophobicContact CE1-CG 4.4Å; F453-F455 HydrophobicContact CZ-CD2 4.29Å; F453-F455 PolarHBondContact O-N 3.1Å; F455-L581 HydrophobicContact CD2-CD1 4.2Å; F455-L581 HydrophobicContact CE2-CD1 3.47Å; F455-L581 VanDerWaalsContact CE2-CD1 3.47Å; F455-L581 HydrophobicContact CZ-CD1 4.32Å; F455-P586 HydrophobicContact CD1-CB 4.5Å; F455-P586 HydrophobicContact CD1-CG 3.85Å; F455-P586 HydrophobicContact CD2-CG 4.4Å; F455-P586 HydrophobicContact CE1-CB 4.12Å; F455-P586 HydrophobicContact CE1-CG 3.76Å; F455-P586 HydrophobicContact CE2-CG 4.35Å; F455-P586 HydrophobicContact CG-CG 4.16Å; F455-P586 HydrophobicContact CZ-CG 4.03Å; F455-E588 HydrophobicContact CE1-CB 4.09Å; F455-E588 HydrophobicContact CZ-CB 4.4Å; F455-F631 HydrophobicContact CD1-CD2 4.09Å; F455-F631 AromaticContact CD1-CE2 3.64Å; F455-F631 HydrophobicContact CD1-CE2 3.64Å; F455-F631 AromaticContact CE1-CD2 3.93Å; F455-F631 HydrophobicContact CE1-CD2 3.93Å; F455-F631 AromaticContact CE1-CE2 3.71Å; F455-F631 HydrophobicContact CE1-CE2 3.71Å
456	T	95.5	Very high	95.2	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	134.7	158.1	-62.2	0	0	0	0	108.4	F386 D387 S388 H389 A392 R409 M411	F386-T456 VanDerWaalsContact CA-O 3.3Å; F386-T456 WeakPolarHBondContact CA-O 3.39Å; D387-T456 PolarHBondContact N-O 2.88Å; D387-T456 PolarHBondContact O-N 2.87Å; S388-T456 VanDerWaalsContact O-CB 3.31Å; S388-T456 WeakPolarHBondContact O-CB 3.45Å; S388-T456 PolarHBondContact O-OG1 2.92Å; H389-T456 WeakPolarHBondContact CA-OG1 3.24Å; A392-T456 HydrophobicContact CB-CG2 4.25Å; A392-T456 PolarHBondContact N-OG1 3.27Å; R409-T456 CarbonylContact O-C 3.57Å; R409-T456 WeakPolarHBondContact O-CA 3.45Å; R409-T456 WeakPolarHBondContact O-CG2 3.38Å; M411-T456 HydrophobicContact CE-CG2 3.35Å
457	I	97.6	Very high	95.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.2	-177.9	-52.2	174.7	0	0	0	108.5	V384 F386 R409 F410 M411 V449 F453 L482 V487	V384-I457 HydrophobicContact CG1-CG2 4.02Å; F386-I457 HydrophobicContact CD1-CG1 4.06Å; F386-I457 HydrophobicContact CE1-CG1 3.96Å; F386-I457 HydrophobicContact CE1-CG2 4.28Å; R409-I457 PolarHBondContact O-N 3.17Å; F410-I457 WeakPolarHBondContact CA-O 3.14Å; F410-I457 HydrophobicContact CD2-CB 4Å; F410-I457 HydrophobicContact CD2-CG2 3.86Å; F410-I457 HydrophobicContact CE2-CG2 4.2Å; M411-I457 PolarHBondContact N-O 3.38Å; V449-I457 HydrophobicContact CG1-CD1 3.9Å; F453-I457 HydrophobicContact CD1-CD1 3.67Å; F453-I457 HydrophobicContact CD1-CG1 3.79Å; F453-I457 HydrophobicContact CE1-CD1 3.97Å; F453-I457 HydrophobicContact CE1-CG1 3.98Å; F453-I457 HydrophobicContact CG-CD1 4.26Å; I457-L482 HydrophobicContact CG2-CD2 3.85Å; I457-V487 HydrophobicContact CD1-CG1 4.01Å; I457-V487 HydrophobicContact CD1-CG2 3.88Å
458	R	97.9	Very high	95.2	Very high	125 Å²	125	41.9 Å²	41.9	47%	0.472	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.1	166.5	175.4	179.9	168.3	175.5	-2.7	109	V384 T385 M411	V384-R458 WeakPolarHBondContact CA-O 3.48Å; T385-R458 PolarHBondContact N-O 2.92Å; T385-R458 PolarHBondContact O-N 2.89Å; M411-R458 WeakPolarHBondContact O-CA 3.25Å
459	L	98.4	Very high	95.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.1	170.1	-164.6	139.2	0	0	0	108.9	C382 T383 V384 F410 M411 L412 H413 L445 L482	C382-L459 HydrophobicContact CB-CD2 4.31Å; T383-L459 WeakPolarHBondContact O-CA 3.43Å; V384-L459 HydrophobicContact CG2-CD1 4.09Å; V384-L459 HydrophobicContact CG2-CG 4.46Å; F410-L459 HydrophobicContact CE2-CB 4.08Å; F410-L459 HydrophobicContact CE2-CD1 4.43Å; F410-L459 HydrophobicContact CZ-CB 4.49Å; M411-L459 PolarHBondContact O-N 3.31Å; L412-L459 CarbonylContact C-O 3.56Å; L412-L459 VanDerWaalsContact CA-O 3.3Å; L412-L459 WeakPolarHBondContact CA-O 3.47Å; L412-L459 HydrophobicContact CD1-CD2 3.69Å; L412-L459 HydrophobicContact CG-CB 4.43Å; L412-L459 HydrophobicContact CG-CD2 3.77Å; H413-L459 PolarHBondContact N-O 2.97Å; L445-L459 HydrophobicContact CD1-CD1 4.36Å; L459-L482 HydrophobicContact CD1-CD1 4.08Å; L459-L482 HydrophobicContact CD1-CD2 4.1Å; L459-L482 HydrophobicContact CD1-CG 3.75Å
460	A	98	Very high	95.2	Very high	10 Å²	10	42.1 Å²	42.1	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.3	173.3	0	0	0	0	0	109.2	C382 T383 H413	C382-A460 CarbonylContact C-O 3.31Å; C382-A460 VanDerWaalsContact CA-O 3.24Å; C382-A460 WeakPolarHBondContact CA-O 3.28Å; T383-A460 PolarHBondContact N-O 3.43Å; T383-A460 PolarHBondContact O-N 2.85Å; H413-A460 CarbonylContact O-C 3.53Å; H413-A460 WeakPolarHBondContact O-CA 3.38Å
461	S	98	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.9	179.4	168.9	0	0	0	0	109.4	V380 L381 H413 T415 T474	V380-S461 VanDerWaalsContact CG1-OG 3.24Å; V380-S461 WeakPolarHBondContact CG1-OG 3.44Å; L381-S461 WeakPolarHBondContact O-CA 3.45Å; H413-S461 PolarHBondContact O-N 2.86Å; T415-S461 PolarHBondContact N-O 2.99Å; S461-T474 VanDerWaalsContact CB-CG2 3.43Å; S461-T474 WeakPolarHBondContact OG-CG2 3.47Å; S461-T474 PolarHBondContact OG-OG1 3.42Å
462	D	97.7	Very high	95.8	Very high	52 Å²	52	29.9 Å²	29.9	28%	0.278	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.8	174.9	-63.3	-56.6	0	0	0	109.2	L381 T415 L464	L381-D462 PolarHBondContact N-O 2.99Å; L381-D462 PolarHBondContact O-N 2.72Å; T415-D462 VanDerWaalsContact CB-OD1 3.28Å; T415-D462 WeakPolarHBondContact CB-OD1 3.26Å; T415-D462 PolarHBondContact OG1-OD1 3.19Å; D462-L464 HydrophobicContact CB-CD2 4.46Å; D462-L464 PolarHBondContact O-N 3.11Å
463	V	97.7	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	116.6	174.9	-175.3	0	0	0	0	108.5	V380 Y414 T415 F416 A420 E465	V380-V463 HydrophobicContact CG2-CG1 4.46Å; V380-V463 HydrophobicContact CG2-CG2 4.15Å; Y414-V463 HydrophobicContact CD2-CG2 4.45Å; Y414-V463 HydrophobicContact CE1-CG2 4.41Å; Y414-V463 HydrophobicContact CE2-CG2 3.62Å; T415-V463 WeakPolarHBondContact O-CG2 3.3Å; T415-V463 PolarHBondContact O-N 2.81Å; F416-V463 HydrophobicContact CD2-CB 3.92Å; F416-V463 HydrophobicContact CD2-CG1 3.88Å; F416-V463 HydrophobicContact CD2-CG2 3.99Å; F416-V463 HydrophobicContact CE2-CB 4.44Å; F416-V463 HydrophobicContact CE2-CG1 3.88Å; A420-V463 HydrophobicContact CB-CG1 4.12Å; V463-E465 WeakPolarHBondContact CG1-O 3.27Å
464	L	97.7	Very high	96.6	Very high	49 Å²	49	21.2 Å²	21.2	26%	0.257	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-36.8	-176.9	-57.3	-176.2	0	0	0	112.1	Q379 L381 F419 A420 D462	Q379-L464 HydrophobicContact CB-CB 4.31Å; Q379-L464 HydrophobicContact CG-CB 4.37Å; Q379-L464 HydrophobicContact CG-CD1 4.45Å; Q379-L464 PolarHBondContact O-N 2.83Å; Q379-L464 VanDerWaalsContact OE1-CD1 3.26Å; L381-L464 HydrophobicContact CB-CD1 3.87Å; L381-L464 HydrophobicContact CB-CG 4.23Å; F419-L464 HydrophobicContact CE2-CD2 4.27Å; F419-L464 HydrophobicContact CZ-CD2 4.45Å; A420-L464 WeakPolarHBondContact CA-O 3.41Å; D462-L464 HydrophobicContact CB-CD2 4.46Å; D462-L464 PolarHBondContact O-N 3.11Å
465	E	97.3	Very high	97	Very high	67 Å²	67	18.4 Å²	18.4	31%	0.313	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.7	173.6	-61	175.1	-163.4	0	0	109.3	T378 Q379 V463	T378-E465 WeakPolarHBondContact CA-O 3.43Å; Q379-E465 HydrophobicContact CB-CB 3.9Å; Q379-E465 HydrophobicContact CB-CG 4.04Å; Q379-E465 PolarHBondContact N-O 3.45Å; Q379-E465 PolarHBondContact O-N 3.43Å; V463-E465 WeakPolarHBondContact CG1-O 3.27Å
466	S	96	Very high	97.2	Very high	21 Å²	21	17.9 Å²	17.9	15%	0.147	9%	0.091	C	C	.	.			trans	-142.9	107.1	177.3	176.7	0	0	0	0	113.5	Q377 F416 A420	Q377-S466 CarbonylContact O-C 3.58Å; Q377-S466 PolarHBondContact O-N 3.41Å; F416-S466 VanDerWaalsContact CE2-CB 3.48Å; F416-S466 WeakPolarHBondContact CE2-OG 3.27Å; A420-S466 PolarHBondContact O-N 3.49Å
467	N	95.3	Very high	97.4	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.059	9%	0.09	C	C	.	.	S	Bend	trans	-129.1	27.4	167.7	-170.3	18.4	0	0	0	111.8	K293 R355 Q377 T378 A514 G515	K293-N467 HydrophobicContact CD-CB 3.84Å; R355-N467 PolarHBondContact NH1-O 3.08Å; Q377-N467 HydrophobicContact CB-CB 3.64Å; Q377-N467 WeakPolarHBondContact O-CB 3.2Å; Q377-N467 PolarHBondContact O-N 3.44Å; Q377-N467 PolarHBondContact OE1-ND2 2.97Å; T378-N467 PolarHBondContact OG1-N 3.45Å; T378-N467 VanDerWaalsContact OG1-N 3.14Å; N467-A514 CarbonylContact O-C 3.56Å; N467-A514 WeakPolarHBondContact O-CA 3.5Å; N467-G515 PolarHBondContact O-N 2.8Å; N467-G515 PolarHBondContact OD1-N 3.49Å
468	G	92.6	Very high	97.4	Very high	10 Å²	10	17.6 Å²	17.6	10%	0.103	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	160	161.9	-176	0	0	0	0	0	110	T378 S470	T378-G468 VanDerWaalsContact CG2-O 3.22Å; T378-G468 WeakPolarHBondContact CG2-O 3.35Å; T378-G468 PolarHBondContact OG1-N 3.23Å; T378-G468 PolarHBondContact OG1-O 2.8Å; G468-S470 PolarHBondContact O-N 3.07Å
469	S	94.7	Very high	97.4	Very high	18 Å²	18	11.6 Å²	11.6	13%	0.126	7%	0.067	C	C	.	.			trans	-36.7	92.3	-163.9	-168.7	0	0	0	0	115.7	S471 M472 A473 A497	S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact OG-OG 3.4Å; S469-M472 PolarHBondContact O-N 3.47Å; S469-M472 VanDerWaalsContact OG-CG 3.29Å; S469-M472 WeakPolarHBondContact OG-CG 3.37Å; S469-A473 PolarHBondContact O-N 2.9Å; S469-A497 VanDerWaalsContact CB-CB 3.43Å
470	S	97.2	Very high	97.5	Very high	5 Å²	5	11.6 Å²	11.6	4%	0.035	7%	0.067	C	C	.	.	H	α-helix	trans	-70.9	-28.4	178.8	44.8	0	0	0	0	111.8	Y414 G468 M472 A473 T474	Y414-S470 PolarHBondContact OH-OG 3.3Å; G468-S470 PolarHBondContact O-N 3.07Å; S470-M472 VanDerWaalsContact C-N 3.31Å; S470-M472 PolarHBondContact O-N 3.45Å; S470-A473 PolarHBondContact O-N 3.12Å; S470-T474 PolarHBondContact O-N 3.13Å; S470-T474 PolarHBondContact O-OG1 3.43Å
471	S	96.9	Very high	97.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.5	-37.5	172.1	55.7	0	0	0	0	112.5	S469 T474 V475	S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact OG-OG 3.4Å; S471-T474 WeakPolarHBondContact O-CB 3.49Å; S471-T474 PolarHBondContact O-N 2.86Å; S471-V475 PolarHBondContact O-N 3.06Å
472	M	98.4	Very high	97.5	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-75.5	-33.7	175.5	-67.5	-60.3	95.7	0	0	112.2	L440 S469 S470 T474 V475 C476 K526	L440-M472 HydrophobicContact CD2-CE 3.61Å; L440-M472 HydrophobicContact CG-CE 3.98Å; S469-M472 PolarHBondContact O-N 3.47Å; S469-M472 VanDerWaalsContact OG-CG 3.29Å; S469-M472 WeakPolarHBondContact OG-CG 3.37Å; S470-M472 VanDerWaalsContact C-N 3.31Å; S470-M472 PolarHBondContact O-N 3.45Å; M472-T474 VanDerWaalsContact C-N 3.3Å; M472-T474 PolarHBondContact O-N 2.87Å; M472-V475 HydrophobicContact CE-CG2 4.05Å; M472-V475 PolarHBondContact O-N 2.87Å; M472-C476 PolarHBondContact O-N 3.15Å; M472-C476 PolarHBondContact O-SG 3.39Å; M472-C476 VanDerWaalsContact O-SG 3.39Å; M472-K526 HydrophobicContact CE-CB 4.07Å; M472-K526 HydrophobicContact CG-CB 4.08Å; M472-K526 HydrophobicContact CG-CG 4.48Å; M472-K526 HydrophobicContact SD-CB 3.95Å
473	A	98.5	Very high	97.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.9	-37.2	169.3	0	0	0	0	0	111.9	F373 T378 V380 S469 S470 V475 C476 A477	F373-A473 HydrophobicContact CD1-CB 3.85Å; F373-A473 HydrophobicContact CE1-CB 4.26Å; T378-A473 HydrophobicContact CG2-CB 3.78Å; V380-A473 HydrophobicContact CB-CB 4.24Å; V380-A473 HydrophobicContact CG2-CB 3.58Å; S469-A473 PolarHBondContact O-N 2.9Å; S470-A473 PolarHBondContact O-N 3.12Å; A473-V475 VanDerWaalsContact C-N 3.33Å; A473-V475 PolarHBondContact O-N 2.97Å; A473-C476 PolarHBondContact O-N 3.1Å; A473-A477 WeakPolarHBondContact O-CB 3.37Å; A473-A477 PolarHBondContact O-N 3.36Å
474	T	98.7	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.5	-38.5	171.8	-61.3	0	0	0	0	112.5	L412 Y414 A441 S461 S470 S471 M472 G478	L412-T474 HydrophobicContact CD1-CG2 4.15Å; L412-T474 HydrophobicContact CD2-CG2 4.16Å; Y414-T474 HydrophobicContact CD2-CG2 4.37Å; Y414-T474 WeakPolarHBondContact CD2-OG1 3.25Å; Y414-T474 WeakPolarHBondContact CE2-OG1 3.49Å; A441-T474 HydrophobicContact CB-CG2 3.78Å; S461-T474 VanDerWaalsContact CB-CG2 3.43Å; S461-T474 WeakPolarHBondContact OG-CG2 3.47Å; S461-T474 PolarHBondContact OG-OG1 3.42Å; S470-T474 PolarHBondContact O-N 3.13Å; S470-T474 PolarHBondContact O-OG1 3.43Å; S471-T474 WeakPolarHBondContact O-CB 3.49Å; S471-T474 PolarHBondContact O-N 2.86Å; M472-T474 VanDerWaalsContact C-N 3.3Å; M472-T474 PolarHBondContact O-N 2.87Å; T474-G478 WeakPolarHBondContact O-CA 3.22Å; T474-G478 PolarHBondContact O-N 3.22Å
475	V	98.7	Very high	97.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.7	-48.5	174.9	175.4	0	0	0	0	110.3	A441 A444 L445 S471 M472 A473 G478 S479 V493 A528	A441-V475 HydrophobicContact CB-CG2 3.85Å; A444-V475 HydrophobicContact CB-CG1 4.04Å; A444-V475 HydrophobicContact CB-CG2 3.74Å; L445-V475 HydrophobicContact CD2-CG1 4.24Å; S471-V475 PolarHBondContact O-N 3.06Å; M472-V475 HydrophobicContact CE-CG2 4.05Å; M472-V475 PolarHBondContact O-N 2.87Å; A473-V475 VanDerWaalsContact C-N 3.33Å; A473-V475 PolarHBondContact O-N 2.97Å; V475-G478 PolarHBondContact O-N 2.7Å; V475-S479 WeakPolarHBondContact O-CB 3.35Å; V475-S479 PolarHBondContact O-N 3.49Å; V475-V493 HydrophobicContact CG1-CB 4.22Å; V475-V493 HydrophobicContact CG1-CG1 3.64Å; V475-A528 HydrophobicContact CG1-CB 4.14Å
476	C	98.7	Very high	97.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.1	-53	179.5	-57.9	0	0	0	0	112.1	F373 M472 A473 G478 S479 M480 G495 M570	F373-C476 HydrophobicContact CB-CB 4.46Å; F373-C476 HydrophobicContact CD1-CB 3.92Å; F373-C476 HydrophobicContact CD2-CB 3.49Å; F373-C476 VanDerWaalsContact CD2-CB 3.49Å; F373-C476 HydrophobicContact CE1-CB 3.92Å; F373-C476 HydrophobicContact CE2-CB 3.5Å; F373-C476 HydrophobicContact CG-CB 3.7Å; F373-C476 HydrophobicContact CZ-CB 3.73Å; M472-C476 PolarHBondContact O-N 3.15Å; M472-C476 PolarHBondContact O-SG 3.39Å; M472-C476 VanDerWaalsContact O-SG 3.39Å; A473-C476 PolarHBondContact O-N 3.1Å; C476-G478 VanDerWaalsContact C-N 3.3Å; C476-G478 PolarHBondContact O-N 3.4Å; C476-S479 PolarHBondContact O-N 3.43Å; C476-M480 WeakPolarHBondContact O-CG 3.39Å; C476-M480 PolarHBondContact O-N 3.35Å; C476-M480 VanDerWaalsContact O-N 3.11Å; C476-G495 PolarHBondContact SG-N 3.15Å; C476-M570 HydrophobicContact CB-CE 4.22Å; C476-M570 HydrophobicContact CB-SD 3.86Å; C476-M570 WeakPolarHBondContact O-CE 3.23Å
477	A	98.7	Very high	97.6	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-59.2	-42.7	177.1	0	0	0	0	0	111.3	A371 F373 V380 C382 A473 M480 A481	A371-A477 WeakPolarHBondContact CB-O 3.35Å; F373-A477 HydrophobicContact CB-CB 3.68Å; V380-A477 HydrophobicContact CB-CB 4.44Å; V380-A477 HydrophobicContact CG1-CB 4.25Å; C382-A477 HydrophobicContact CB-CB 3.87Å; C382-A477 WeakPolarHBondContact SG-CB 3.35Å; A473-A477 WeakPolarHBondContact O-CB 3.37Å; A473-A477 PolarHBondContact O-N 3.36Å; A477-M480 PolarHBondContact O-N 2.85Å; A477-A481 WeakPolarHBondContact O-CB 3.1Å; A477-A481 PolarHBondContact O-N 3.39Å
478	G	98.6	Very high	97.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.4	-42.1	-179.8	0	0	0	0	0	112.4	T474 V475 C476 M480 A481 L482	T474-G478 WeakPolarHBondContact O-CA 3.22Å; T474-G478 PolarHBondContact O-N 3.22Å; V475-G478 PolarHBondContact O-N 2.7Å; C476-G478 VanDerWaalsContact C-N 3.3Å; C476-G478 PolarHBondContact O-N 3.4Å; G478-M480 VanDerWaalsContact C-N 3.33Å; G478-M480 PolarHBondContact O-N 3.28Å; G478-A481 PolarHBondContact O-N 3.23Å; G478-L482 WeakPolarHBondContact O-CB 3.26Å; G478-L482 VanDerWaalsContact O-CG 3.25Å; G478-L482 WeakPolarHBondContact O-CG 3.36Å; G478-L482 PolarHBondContact O-N 3.22Å
479	S	98.6	Very high	97.8	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.6	-44.6	173.3	-172.1	0	0	0	0	111.4	V475 C476 M483 P492 V493	V475-S479 WeakPolarHBondContact O-CB 3.35Å; V475-S479 PolarHBondContact O-N 3.49Å; C476-S479 PolarHBondContact O-N 3.43Å; S479-M483 WeakPolarHBondContact O-CG 3.25Å; S479-M483 PolarHBondContact O-N 2.96Å; S479-P492 WeakPolarHBondContact OG-CA 3.35Å; S479-V493 VanDerWaalsContact CB-O 3.27Å; S479-V493 WeakPolarHBondContact CB-O 3.27Å; S479-V493 PolarHBondContact OG-N 2.71Å
480	M	98.7	Very high	97.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.1	-41.8	178	-67.1	-172.9	-60.7	0	0	112.7	C359 V361 A371 F373 C476 A477 G478 L482 M483 D484 M570 I574	C359-M480 HydrophobicContact CB-CE 4.02Å; C359-M480 HydrophobicContact CB-SD 3.81Å; V361-M480 HydrophobicContact CG1-CB 3.98Å; A371-M480 HydrophobicContact CB-CB 3.64Å; A371-M480 HydrophobicContact CB-CE 4.29Å; F373-M480 HydrophobicContact CB-CE 3.8Å; F373-M480 HydrophobicContact CD2-CE 3.66Å; F373-M480 HydrophobicContact CG-CE 4.21Å; C476-M480 WeakPolarHBondContact O-CG 3.39Å; C476-M480 PolarHBondContact O-N 3.35Å; C476-M480 VanDerWaalsContact O-N 3.11Å; A477-M480 PolarHBondContact O-N 2.85Å; G478-M480 VanDerWaalsContact C-N 3.33Å; G478-M480 PolarHBondContact O-N 3.28Å; M480-L482 VanDerWaalsContact C-N 3.32Å; M480-L482 PolarHBondContact O-N 3.05Å; M480-M483 HydrophobicContact CB-CE 4.43Å; M480-M483 HydrophobicContact CG-CE 4.09Å; M480-M483 PolarHBondContact O-N 2.94Å; M480-D484 WeakPolarHBondContact O-CB 3.09Å; M480-D484 PolarHBondContact O-N 2.91Å; M480-M570 HydrophobicContact CG-CE 3.85Å; M480-M570 HydrophobicContact SD-CB 4.19Å; M480-M570 HydrophobicContact SD-CG 4.1Å; M480-I574 HydrophobicContact CB-CG2 3.94Å; M480-I574 HydrophobicContact CG-CG2 3.77Å; M480-I574 HydrophobicContact SD-CG2 4.25Å
481	A	98.5	Very high	97.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65	-36.4	179.3	0	0	0	0	0	111.8	A371 C382 V384 A477 G478 D484 S485	A371-A481 HydrophobicContact CB-CB 3.92Å; C382-A481 HydrophobicContact CB-CB 3.9Å; V384-A481 HydrophobicContact CG2-CB 3.85Å; A477-A481 WeakPolarHBondContact O-CB 3.1Å; A477-A481 PolarHBondContact O-N 3.39Å; G478-A481 PolarHBondContact O-N 3.23Å; A481-D484 PolarHBondContact O-N 2.7Å; A481-S485 WeakPolarHBondContact O-CB 3.36Å; A481-S485 PolarHBondContact O-N 2.97Å; A481-S485 PolarHBondContact O-OG 2.88Å
482	L	98.5	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-46.8	172.5	-72.2	167.6	0	0	0	111.2	V384 F410 L445 V449 I457 L459 G478 M480 D484 S485 G486 V487 I489	V384-L482 HydrophobicContact CG2-CD2 4.16Å; V384-L482 HydrophobicContact CG2-CG 4.47Å; F410-L482 HydrophobicContact CE2-CD1 4.33Å; F410-L482 HydrophobicContact CE2-CD2 4.22Å; F410-L482 HydrophobicContact CZ-CD1 4.45Å; L445-L482 HydrophobicContact CD1-CD1 4.43Å; V449-L482 HydrophobicContact CG2-CD1 3.88Å; I457-L482 HydrophobicContact CG2-CD2 3.85Å; L459-L482 HydrophobicContact CD1-CD1 4.08Å; L459-L482 HydrophobicContact CD1-CD2 4.1Å; L459-L482 HydrophobicContact CD1-CG 3.75Å; G478-L482 WeakPolarHBondContact O-CB 3.26Å; G478-L482 VanDerWaalsContact O-CG 3.25Å; G478-L482 WeakPolarHBondContact O-CG 3.36Å; G478-L482 PolarHBondContact O-N 3.22Å; M480-L482 VanDerWaalsContact C-N 3.32Å; M480-L482 PolarHBondContact O-N 3.05Å; L482-D484 PolarHBondContact O-N 3.09Å; L482-S485 PolarHBondContact O-N 3.21Å; L482-S485 PolarHBondContact O-OG 3.15Å; L482-G486 PolarHBondContact O-N 2.71Å; L482-V487 HydrophobicContact CB-CB 4.42Å; L482-V487 HydrophobicContact CD2-CB 4.35Å; L482-V487 HydrophobicContact CD2-CG2 4.07Å; L482-V487 PolarHBondContact O-N 2.86Å; L482-V487 VanDerWaalsContact O-N 3.15Å; L482-I489 HydrophobicContact CB-CG2 3.94Å; L482-I489 HydrophobicContact CD1-CG2 4.15Å
483	M	98.3	Very high	97.9	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-61.6	-44	176.3	-69.1	-173.7	-67.9	0	0	112	S479 M480 S485 G486 I489 P492 I574 P577 R578	S479-M483 WeakPolarHBondContact O-CG 3.25Å; S479-M483 PolarHBondContact O-N 2.96Å; M480-M483 HydrophobicContact CB-CE 4.43Å; M480-M483 HydrophobicContact CG-CE 4.09Å; M480-M483 PolarHBondContact O-N 2.94Å; M483-S485 VanDerWaalsContact C-N 3.26Å; M483-S485 PolarHBondContact O-N 3.48Å; M483-G486 PolarHBondContact O-N 3.39Å; M483-G486 VanDerWaalsContact O-N 3.1Å; M483-I489 HydrophobicContact CG-CD1 3.47Å; M483-I489 VanDerWaalsContact CG-CD1 3.47Å; M483-I489 HydrophobicContact CG-CG1 3.83Å; M483-I489 HydrophobicContact SD-CD1 4.06Å; M483-P492 HydrophobicContact CE-CB 4.07Å; M483-P492 HydrophobicContact SD-CB 4.07Å; M483-I574 HydrophobicContact CB-CD1 3.58Å; M483-I574 HydrophobicContact CB-CG1 4.01Å; M483-I574 HydrophobicContact CE-CG2 3.72Å; M483-P577 HydrophobicContact CG-CG 4.05Å; M483-R578 PolarHBondContact O-N 2.92Å
484	D	98.2	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.7	-32.7	177.2	177.1	51.6	0	0	0	112.3	V361 D362 G369 S370 M480 A481 L482 G486 I574 R578 K582	V361-D484 HydrophobicContact CB-CB 4.16Å; V361-D484 HydrophobicContact CG1-CB 4.43Å; D362-D484 PolarHBondContact N-OD2 3.09Å; G369-D484 WeakPolarHBondContact CA-OD2 3.44Å; S370-D484 PolarHBondContact N-OD2 2.75Å; M480-D484 WeakPolarHBondContact O-CB 3.09Å; M480-D484 PolarHBondContact O-N 2.91Å; A481-D484 PolarHBondContact O-N 2.7Å; L482-D484 PolarHBondContact O-N 3.09Å; D484-G486 PolarHBondContact O-N 3.48Å; D484-I574 HydrophobicContact CB-CD1 4.15Å; D484-R578 WeakPolarHBondContact O-CD 3.48Å; D484-R578 PolarHBondContact O-NE 3.18Å; D484-R578 VanDerWaalsContact O-NE 3.09Å; D484-R578 IonicContact OD1-CZ 2.87Å; D484-R578 VanDerWaalsContact OD1-CZ 3.25Å; D484-R578 IonicContact OD1-NE 3.05Å; D484-R578 PolarHBondContact OD1-NE 2.84Å; D484-R578 IonicContact OD1-NH2 3.52Å; D484-R578 PolarHBondContact OD1-NH2 3.48Å; D484-K582 VanDerWaalsContact CG-NZ 3.31Å; D484-K582 WeakPolarHBondContact O-CE 3.42Å; D484-K582 WeakPolarHBondContact OD1-CE 3.26Å; D484-K582 IonicContact OD1-NZ 3.56Å; D484-K582 PolarHBondContact OD1-NZ 2.9Å; D484-K582 WeakPolarHBondContact OD2-CE 3.24Å; D484-K582 IonicContact OD2-NZ 2.75Å; D484-K582 PolarHBondContact OD2-NZ 3.24Å
485	S	97.2	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.8	176.1	68.8	0	0	0	0	115.1	H368 F386 A481 L482 M483 V487	H368-S485 VanDerWaalsContact O-CA 3.26Å; H368-S485 WeakPolarHBondContact O-CA 3.24Å; H368-S485 WeakPolarHBondContact O-CB 3.35Å; F386-S485 WeakPolarHBondContact CZ-OG 3.13Å; A481-S485 WeakPolarHBondContact O-CB 3.36Å; A481-S485 PolarHBondContact O-N 2.97Å; A481-S485 PolarHBondContact O-OG 2.88Å; L482-S485 PolarHBondContact O-N 3.21Å; L482-S485 PolarHBondContact O-OG 3.15Å; M483-S485 VanDerWaalsContact C-N 3.26Å; M483-S485 PolarHBondContact O-N 3.48Å; S485-V487 WeakPolarHBondContact OG-CG2 3.46Å
486	G	96.3	Very high	97.9	Very high	7 Å²	7	12.4 Å²	12.4	7%	0.072	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	15.6	-175.4	0	0	0	0	0	114.1	L482 M483 D484 P488	L482-G486 PolarHBondContact O-N 2.71Å; M483-G486 PolarHBondContact O-N 3.39Å; M483-G486 VanDerWaalsContact O-N 3.1Å; D484-G486 PolarHBondContact O-N 3.48Å; G486-P488 WeakPolarHBondContact O-CD 3.2Å
487	V	97.3	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.			trans	-68.2	123.1	168.2	178	0	0	0	0	107.7	F386 P450 F453 I457 L482 S485 I489 P577	F386-V487 HydrophobicContact CE1-CG2 3.58Å; F386-V487 HydrophobicContact CZ-CG2 3.61Å; P450-V487 HydrophobicContact CG-CG1 4.13Å; F453-V487 HydrophobicContact CE1-CG2 4.16Å; F453-V487 HydrophobicContact CE2-CG1 4.48Å; F453-V487 HydrophobicContact CE2-CG2 4.38Å; F453-V487 HydrophobicContact CZ-CB 4.49Å; F453-V487 HydrophobicContact CZ-CG2 3.85Å; I457-V487 HydrophobicContact CD1-CG1 4.01Å; I457-V487 HydrophobicContact CD1-CG2 3.88Å; L482-V487 HydrophobicContact CB-CB 4.42Å; L482-V487 HydrophobicContact CD2-CB 4.35Å; L482-V487 HydrophobicContact CD2-CG2 4.07Å; L482-V487 PolarHBondContact O-N 2.86Å; L482-V487 VanDerWaalsContact O-N 3.15Å; S485-V487 WeakPolarHBondContact OG-CG2 3.46Å; V487-I489 HydrophobicContact CB-CG2 4.37Å; V487-I489 HydrophobicContact CG1-CG2 3.82Å; V487-I489 PolarHBondContact O-N 2.91Å; V487-P577 WeakPolarHBondContact O-CB 3.27Å
488	P	96.5	Very high	97.9	Very high	75 Å²	75	12.4 Å²	12.4	49%	0.487	7%	0.066	S	C	.	.			trans	-78.3	69.5	-179.2	32.9	-34.2	0	0	0	109.9	P450 F453 G486	P450-P488 HydrophobicContact CG-CG 4.18Å; F453-P488 HydrophobicContact CE2-CG 4.49Å; G486-P488 WeakPolarHBondContact O-CD 3.2Å
489	I	97.4	Very high	97.9	Very high	9 Å²	9	12.4 Å²	12.4	5%	0.046	7%	0.067	C	C	.	.			trans	-62.9	141.5	173.7	63.9	169.6	0	0	0	109.7	V448 V449 L482 M483 V487 C491 P577	V448-I489 HydrophobicContact CB-CB 4.43Å; V448-I489 HydrophobicContact CG2-CB 4.22Å; V448-I489 CarbonylContact O-C 3.57Å; V448-I489 VanDerWaalsContact O-CA 3.24Å; V448-I489 WeakPolarHBondContact O-CA 3.49Å; V449-I489 HydrophobicContact CG2-CG2 4.34Å; L482-I489 HydrophobicContact CB-CG2 3.94Å; L482-I489 HydrophobicContact CD1-CG2 4.15Å; M483-I489 HydrophobicContact CG-CD1 3.47Å; M483-I489 VanDerWaalsContact CG-CD1 3.47Å; M483-I489 HydrophobicContact CG-CG1 3.83Å; M483-I489 HydrophobicContact SD-CD1 4.06Å; V487-I489 HydrophobicContact CB-CG2 4.37Å; V487-I489 HydrophobicContact CG1-CG2 3.82Å; V487-I489 PolarHBondContact O-N 2.91Å; I489-C491 VanDerWaalsContact C-N 3.33Å; I489-C491 PolarHBondContact O-N 2.83Å; I489-P577 HydrophobicContact CG1-CG 4.02Å
490	R	96	Very high	97.8	Very high	115 Å²	115	12.4 Å²	12.4	43%	0.434	7%	0.067	S	C	.	.	S	Bend	trans	-59.5	-43.7	-175.6	-173.5	172.9	73.5	-140.8	-1.4	112.3	D221 V448 E532	D221-R490 IonicContact OD1-CZ 3.84Å; D221-R490 IonicContact OD1-NH1 3.08Å; D221-R490 PolarHBondContact OD1-NH1 2.82Å; D221-R490 IonicContact OD1-NH2 2.88Å; D221-R490 PolarHBondContact OD1-NH2 2.83Å; D221-R490 IonicContact OD2-NH1 3.41Å; V448-R490 PolarHBondContact O-N 2.79Å; R490-E532 IonicContact CZ-OE2 3.31Å; R490-E532 IonicContact NE-OE1 2.77Å; R490-E532 PolarHBondContact NE-OE1 3.02Å; R490-E532 VanDerWaalsContact NE-OE1 3.16Å; R490-E532 IonicContact NE-OE2 3.16Å; R490-E532 PolarHBondContact NE-OE2 3.45Å; R490-E532 IonicContact NH2-OE2 2.72Å; R490-E532 PolarHBondContact NH2-OE2 3.31Å
491	C	96.7	Very high	97.7	Very high	15 Å²	15	12.6 Å²	12.6	10%	0.101	7%	0.068	C	C	.	.	S	Bend	trans	-155.5	153.9	176.3	51	0	0	0	0	110.1	V448 I489 S530 E532	V448-C491 WeakPolarHBondContact CB-O 3.28Å; I489-C491 VanDerWaalsContact C-N 3.33Å; I489-C491 PolarHBondContact O-N 2.83Å; C491-S530 WeakPolarHBondContact SG-CB 3Å; C491-S530 PolarHBondContact SG-OG 3Å; C491-E532 VanDerWaalsContact SG-CD 3.58Å
492	P	97.9	Very high	97.6	Very high	37 Å²	37	13.8 Å²	13.8	24%	0.24	8%	0.075	C	C	.	.			trans	-68.2	147.2	173.3	28.3	-33.9	0	0	0	111.1	S479 M483 S530 L567	S479-P492 WeakPolarHBondContact OG-CA 3.35Å; M483-P492 HydrophobicContact CE-CB 4.07Å; M483-P492 HydrophobicContact SD-CB 4.07Å; P492-S530 WeakPolarHBondContact O-CB 3.47Å; P492-L567 HydrophobicContact CB-CD2 4Å; P492-L567 HydrophobicContact CG-CD2 4.18Å
493	V	98.5	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.			trans	-121.9	133.4	-180	-176.4	0	0	0	0	108.9	L445 V448 V475 S479 A528 T535	L445-V493 HydrophobicContact CD2-CB 4.17Å; V448-V493 HydrophobicContact CB-CG2 4.21Å; V448-V493 HydrophobicContact CG1-CG2 3.51Å; V448-V493 HydrophobicContact CG2-CG2 3.64Å; V475-V493 HydrophobicContact CG1-CB 4.22Å; V475-V493 HydrophobicContact CG1-CG1 3.64Å; S479-V493 VanDerWaalsContact CB-O 3.27Å; S479-V493 WeakPolarHBondContact CB-O 3.27Å; S479-V493 PolarHBondContact OG-N 2.71Å; V493-A528 HydrophobicContact CG1-CB 4.17Å; V493-T535 HydrophobicContact CG1-CG2 4.37Å; V493-T535 WeakPolarHBondContact CG1-OG1 3.3Å; V493-T535 HydrophobicContact CG2-CG2 4.24Å
494	S	98.5	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	163.6	170.1	70.5	0	0	0	0	110.9	A528 S529 N563	S494-A528 CarbonylContact O-C 3.39Å; S494-A528 WeakPolarHBondContact O-CA 3.37Å; S494-S529 PolarHBondContact N-O 3.34Å; S494-S529 PolarHBondContact O-N 3.32Å; S494-N563 VanDerWaalsContact OG-CA 3.31Å; S494-N563 WeakPolarHBondContact OG-CA 3.42Å; S494-N563 WeakPolarHBondContact OG-CB 3.45Å; S494-N563 VanDerWaalsContact OG-CG 3.27Å; S494-N563 PolarHBondContact OG-O 2.94Å; S494-N563 VanDerWaalsContact OG-O 3.07Å; S494-N563 PolarHBondContact OG-OD1 3.23Å; S494-N563 VanDerWaalsContact OG-OD1 3.07Å
495	G	98.5	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.3	173.9	0	0	0	0	0	113.3	R375 C476 I527 N563	R375-G495 PolarHBondContact NH1-O 2.84Å; R375-G495 PolarHBondContact NH2-O 3.04Å; R375-G495 VanDerWaalsContact NH2-O 3.17Å; C476-G495 PolarHBondContact SG-N 3.15Å; G495-I527 WeakPolarHBondContact CA-O 3.47Å; G495-N563 VanDerWaalsContact CA-OD1 3.25Å; G495-N563 WeakPolarHBondContact CA-OD1 3.39Å; G495-N563 PolarHBondContact N-OD1 3.46Å
496	V	98.5	Very high	96.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.8	176.1	70.6	0	0	0	0	110.4	L354 I498 V511 D512 I527 G559 A562 N563 I566	L354-V496 HydrophobicContact CD2-CG2 4.41Å; V496-I498 HydrophobicContact CG1-CD1 4.06Å; V496-I498 HydrophobicContact CG1-CG1 4.46Å; V496-I498 HydrophobicContact CG2-CD1 4.31Å; V496-V511 HydrophobicContact CG2-CG1 4.24Å; V496-D512 HydrophobicContact CG2-CB 4.04Å; V496-I527 HydrophobicContact CG1-CG2 3.76Å; V496-I527 PolarHBondContact N-O 3.28Å; V496-I527 PolarHBondContact O-N 3.49Å; V496-G559 WeakPolarHBondContact CG1-O 3.35Å; V496-A562 HydrophobicContact CB-CB 4.45Å; V496-A562 HydrophobicContact CG1-CB 4.08Å; V496-A562 HydrophobicContact CG2-CB 4.17Å; V496-N563 PolarHBondContact N-OD1 3.27Å; V496-I566 HydrophobicContact CB-CD1 3.88Å; V496-I566 HydrophobicContact CG2-CD1 4.15Å
497	A	98.4	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.3	170.9	0	0	0	0	0	109.9	S469 D512 I513 F525 K526	S469-A497 VanDerWaalsContact CB-CB 3.43Å; A497-D512 WeakPolarHBondContact O-CA 3.33Å; A497-D512 PolarHBondContact O-N 3.4Å; A497-I513 HydrophobicContact CB-CD1 4.22Å; A497-I513 HydrophobicContact CB-CG1 3.75Å; A497-I513 PolarHBondContact O-N 3.18Å; A497-F525 CarbonylContact C-O 3.57Å; A497-F525 WeakPolarHBondContact CA-O 3.46Å; A497-K526 HydrophobicContact CB-CG 4.45Å
498	I	98.5	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	177.5	-51.7	-56.5	0	0	0	108.1	V496 L509 L510 V511 M523 F525 I527 A555	V496-I498 HydrophobicContact CG1-CD1 4.06Å; V496-I498 HydrophobicContact CG1-CG1 4.46Å; V496-I498 HydrophobicContact CG2-CD1 4.31Å; I498-L509 HydrophobicContact CG2-CB 4.41Å; I498-L509 HydrophobicContact CG2-CD2 4.2Å; I498-L510 CarbonylContact C-O 3.57Å; I498-L510 VanDerWaalsContact CA-O 3.29Å; I498-L510 WeakPolarHBondContact CA-O 3.43Å; I498-V511 HydrophobicContact CD1-CB 4.15Å; I498-V511 HydrophobicContact CD1-CG1 4.08Å; I498-V511 HydrophobicContact CD1-CG2 3.97Å; I498-M523 HydrophobicContact CG2-CE 4.41Å; I498-F525 HydrophobicContact CB-CB 4.29Å; I498-F525 HydrophobicContact CB-CD1 4.05Å; I498-F525 HydrophobicContact CG1-CD1 4.16Å; I498-F525 PolarHBondContact N-O 3.37Å; I498-F525 PolarHBondContact O-N 2.89Å; I498-I527 HydrophobicContact CG1-CG2 4.47Å; I498-A555 HydrophobicContact CG2-CB 4.31Å
499	G	98	Very high	96.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.7	173.8	0	0	0	0	0	112.6	L509 L510 M523	G499-L509 CarbonylContact O-C 3.58Å; G499-L509 WeakPolarHBondContact O-CA 3.37Å; G499-L510 PolarHBondContact N-O 2.95Å; G499-L510 PolarHBondContact O-N 2.88Å; G499-M523 VanDerWaalsContact CA-O 3.3Å; G499-M523 WeakPolarHBondContact CA-O 3.21Å
500	L	97.7	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.6	168	-176.1	70	0	0	0	108.9	T502 Y507 L509 G521 D522 M523 L543 I547 I551	L500-T502 HydrophobicContact CD2-CG2 3.94Å; L500-T502 HydrophobicContact CG-CG2 4Å; L500-Y507 HydrophobicContact CD1-CD2 3.69Å; L500-Y507 HydrophobicContact CD1-CG 4.11Å; L500-L509 HydrophobicContact CD1-CD2 3.8Å; L500-G521 WeakPolarHBondContact O-CA 3.3Å; L500-D522 HydrophobicContact CB-CB 4.34Å; L500-D522 HydrophobicContact CD2-CB 4.27Å; L500-D522 HydrophobicContact CG-CB 4.34Å; L500-D522 PolarHBondContact O-N 2.97Å; L500-M523 HydrophobicContact CB-CB 3.42Å; L500-M523 VanDerWaalsContact CB-CB 3.42Å; L500-M523 HydrophobicContact CB-CE 3.97Å; L500-M523 HydrophobicContact CB-CG 4.49Å; L500-M523 HydrophobicContact CB-SD 4.42Å; L500-M523 HydrophobicContact CD2-CB 4.24Å; L500-M523 HydrophobicContact CG-CB 4.49Å; L500-M523 PolarHBondContact N-O 3.44Å; L500-L543 HydrophobicContact CD2-CD1 4.14Å; L500-I547 HydrophobicContact CD2-CG2 3.59Å; L500-I551 HydrophobicContact CD1-CG2 3.74Å; L500-I551 HydrophobicContact CD2-CG2 4.1Å
501	V	96.8	Very high	96.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.6	162.5	-69.4	0	0	0	0	109.3	R336 I339 F340 Y507 R508 L510	R336-V501 HydrophobicContact CG-CB 4.34Å; R336-V501 HydrophobicContact CG-CG1 4.37Å; I339-V501 HydrophobicContact CG2-CG2 4.14Å; F340-V501 HydrophobicContact CE2-CB 4.31Å; F340-V501 HydrophobicContact CE2-CG2 3.85Å; V501-Y507 CarbonylContact O-C 3.59Å; V501-Y507 VanDerWaalsContact O-CA 3.27Å; V501-Y507 WeakPolarHBondContact O-CA 3.32Å; V501-R508 HydrophobicContact CG2-CB 3.85Å; V501-R508 PolarHBondContact N-O 3.13Å; V501-R508 PolarHBondContact O-N 3.33Å; V501-L510 HydrophobicContact CG1-CD1 3.91Å; V501-L510 HydrophobicContact CG2-CD1 4.32Å; V501-L510 HydrophobicContact CG2-CG 4.44Å
502	T	95.4	Very high	96.5	Very high	26 Å²	26	34.6 Å²	34.6	16%	0.16	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144	-179.8	61.6	0	0	0	0	111.1	R336 L500 D506 D522 L543	R336-T502 PolarHBondContact NH1-O 3.47Å; L500-T502 HydrophobicContact CD2-CG2 3.94Å; L500-T502 HydrophobicContact CG-CG2 4Å; T502-D506 WeakPolarHBondContact CA-O 3.38Å; T502-D522 WeakPolarHBondContact CB-OD2 3.34Å; T502-D522 HydrophobicContact CG2-CB 4.4Å; T502-D522 PolarHBondContact N-OD2 2.7Å; T502-D522 PolarHBondContact OG1-OD2 2.81Å; T502-L543 HydrophobicContact CG2-CD1 3.98Å
503	M	92.8	Very high	96.5	Very high	68 Å²	68	33 Å²	33	34%	0.335	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	97.6	175.2	-82.1	-69.1	-67	0	0	108.4	R336 K337 F340 E505 D506	R336-M503 HydrophobicContact CB-CG 4.12Å; R336-M503 HydrophobicContact CB-SD 4.04Å; K337-M503 HydrophobicContact CG-CE 4.35Å; F340-M503 HydrophobicContact CD1-CB 4.38Å; F340-M503 HydrophobicContact CD2-CB 4.04Å; F340-M503 HydrophobicContact CD2-CG 3.52Å; F340-M503 HydrophobicContact CE1-CB 4.14Å; F340-M503 HydrophobicContact CE2-CB 3.75Å; F340-M503 HydrophobicContact CE2-CG 3.47Å; F340-M503 VanDerWaalsContact CE2-CG 3.47Å; F340-M503 HydrophobicContact CG-CB 4.33Å; F340-M503 HydrophobicContact CG-CG 4.13Å; F340-M503 HydrophobicContact CZ-CB 3.79Å; F340-M503 HydrophobicContact CZ-CG 4.06Å; M503-E505 PolarHBondContact O-N 3.3Å; M503-D506 PolarHBondContact N-O 3.27Å; M503-D506 PolarHBondContact O-N 3.46Å
504	G	89.2	Confident	96.4	Very high	82 Å²	82	33.2 Å²	33.2	85%	0.845	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	-123.6	-171.5	0	0	0	0	0	110.7
505	E	87.5	Confident	96.2	Very high	197 Å²	197	34.5 Å²	34.5	92%	0.921	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-17.1	176.2	-62	-173.1	168.7	0	0	112.9	M503	M503-E505 PolarHBondContact O-N 3.3Å
506	D	94.9	Very high	96	Very high	105 Å²	105	35.6 Å²	35.6	56%	0.561	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	147.9	-179.7	-67.3	-49.7	0	0	0	111.9	F340 T502 M503	F340-D506 HydrophobicContact CD1-CB 4.44Å; F340-D506 HydrophobicContact CE1-CB 3.67Å; F340-D506 HydrophobicContact CZ-CB 4.46Å; T502-D506 WeakPolarHBondContact CA-O 3.38Å; M503-D506 PolarHBondContact N-O 3.27Å; M503-D506 PolarHBondContact O-N 3.46Å
507	Y	96.6	Very high	95.9	Very high	64 Å²	64	35.7 Å²	35.7	25%	0.251	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161	175.9	70.9	-85.2	0	0	0	113.1	L500 V501 I551 E554	L500-Y507 HydrophobicContact CD1-CD2 3.69Å; L500-Y507 HydrophobicContact CD1-CG 4.11Å; V501-Y507 CarbonylContact O-C 3.59Å; V501-Y507 VanDerWaalsContact O-CA 3.27Å; V501-Y507 WeakPolarHBondContact O-CA 3.32Å; Y507-I551 HydrophobicContact CD1-CD1 3.99Å; Y507-I551 HydrophobicContact CD1-CG1 4.32Å; Y507-I551 HydrophobicContact CD2-CD1 4.36Å; Y507-I551 HydrophobicContact CD2-CG1 4.31Å; Y507-I551 HydrophobicContact CD2-CG2 4.43Å; Y507-I551 HydrophobicContact CE1-CD1 4.17Å; Y507-I551 HydrophobicContact CE1-CG1 4.02Å; Y507-I551 HydrophobicContact CE2-CG1 4.01Å; Y507-I551 HydrophobicContact CE2-CG2 4.41Å; Y507-I551 HydrophobicContact CG-CD1 4.1Å; Y507-I551 HydrophobicContact CG-CG1 4.46Å; Y507-E554 PolarHBondContact OH-OE1 3.02Å; Y507-E554 PolarHBondContact OH-OE2 3.18Å
508	R	97.3	Very high	95.7	Very high	102 Å²	102	37.5 Å²	37.5	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.2	168.1	-63.5	-68	-178.1	-91.8	0.7	109.9	F340 V501	F340-R508 HydrophobicContact CD1-CG 4.26Å; F340-R508 HydrophobicContact CE1-CG 3.93Å; F340-R508 HydrophobicContact CE2-CG 4.43Å; F340-R508 HydrophobicContact CZ-CG 4.05Å; V501-R508 HydrophobicContact CG2-CB 3.85Å; V501-R508 PolarHBondContact N-O 3.13Å; V501-R508 PolarHBondContact O-N 3.33Å
509	L	98	Very high	95.4	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.7	168.3	-67.6	174.3	0	0	0	109.7	I498 G499 L500 M523 I551 E554 A555	I498-L509 HydrophobicContact CG2-CB 4.41Å; I498-L509 HydrophobicContact CG2-CD2 4.2Å; G499-L509 CarbonylContact O-C 3.58Å; G499-L509 WeakPolarHBondContact O-CA 3.37Å; L500-L509 HydrophobicContact CD1-CD2 3.8Å; L509-M523 HydrophobicContact CD2-CE 3.84Å; L509-I551 HydrophobicContact CD2-CG2 4.2Å; L509-E554 HydrophobicContact CD1-CB 3.82Å; L509-A555 HydrophobicContact CD1-CB 4.36Å; L509-A555 HydrophobicContact CD2-CB 4.11Å
510	L	98.1	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.4	-178.8	-56.4	-179.4	0	0	0	109.6	I339 R345 V351 I498 G499 V501 I513 E517	I339-L510 HydrophobicContact CD1-CD1 4.14Å; I339-L510 HydrophobicContact CG2-CD2 4.11Å; R345-L510 HydrophobicContact CG-CD2 4.5Å; V351-L510 HydrophobicContact CB-CD2 4.18Å; V351-L510 HydrophobicContact CG1-CD2 3.94Å; V351-L510 CarbonylContact O-C 3.53Å; V351-L510 WeakPolarHBondContact O-CA 3.2Å; I498-L510 CarbonylContact C-O 3.57Å; I498-L510 VanDerWaalsContact CA-O 3.29Å; I498-L510 WeakPolarHBondContact CA-O 3.43Å; G499-L510 PolarHBondContact N-O 2.95Å; G499-L510 PolarHBondContact O-N 2.88Å; V501-L510 HydrophobicContact CG1-CD1 3.91Å; V501-L510 HydrophobicContact CG2-CD1 4.32Å; V501-L510 HydrophobicContact CG2-CG 4.44Å; L510-I513 HydrophobicContact CB-CG2 3.75Å; L510-E517 HydrophobicContact CD1-CB 4.35Å; L510-E517 HydrophobicContact CD1-CG 4.48Å
511	V	98.4	Very high	95.1	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.9	177.7	177.9	0	0	0	0	110.2	R345 R349 V351 D352 L354 V496 I498 A562	R345-V511 PolarHBondContact NH1-O 3.48Å; R345-V511 PolarHBondContact NH2-O 2.89Å; R349-V511 PolarHBondContact NH1-O 2.85Å; V351-V511 PolarHBondContact O-N 2.99Å; D352-V511 HydrophobicContact CB-CG2 4.44Å; L354-V511 HydrophobicContact CD2-CG1 3.88Å; V496-V511 HydrophobicContact CG2-CG1 4.24Å; I498-V511 HydrophobicContact CD1-CB 4.15Å; I498-V511 HydrophobicContact CD1-CG1 4.08Å; I498-V511 HydrophobicContact CD1-CG2 3.97Å; V511-A562 HydrophobicContact CG1-CB 3.48Å; V511-A562 VanDerWaalsContact CG1-CB 3.48Å
512	D	98.2	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	56.1	64.8	178.6	-175.6	39.2	0	0	0	112.9	R345 R349 L354 R355 R375 V496 A497	R345-D512 PolarHBondContact NH2-O 2.87Å; R349-D512 PolarHBondContact NH1-O 2.81Å; R349-D512 IonicContact NH1-OD2 2.71Å; R349-D512 PolarHBondContact NH1-OD2 3.39Å; R349-D512 PolarHBondContact NH2-O 3.04Å; L354-D512 HydrophobicContact CD2-CB 3.75Å; R355-D512 WeakPolarHBondContact CB-OD2 3.32Å; R355-D512 WeakPolarHBondContact CG-OD2 3.44Å; R355-D512 IonicContact CZ-OD1 2.71Å; R355-D512 IonicContact CZ-OD2 3Å; R355-D512 PolarHBondContact N-OD2 3.04Å; R355-D512 IonicContact NE-OD1 3.6Å; R355-D512 PolarHBondContact NE-OD1 2.86Å; R355-D512 IonicContact NE-OD2 3.59Å; R355-D512 PolarHBondContact NE-OD2 2.89Å; R355-D512 IonicContact NH2-OD1 3.58Å; R355-D512 PolarHBondContact NH2-OD1 2.9Å; R355-D512 IonicContact NH2-OD2 2.71Å; R375-D512 WeakPolarHBondContact CD-OD1 3.3Å; R375-D512 WeakPolarHBondContact CD-OD2 3.31Å; R375-D512 IonicContact CZ-OD1 3.97Å; R375-D512 IonicContact NE-OD1 3.6Å; R375-D512 PolarHBondContact NE-OD1 2.85Å; V496-D512 HydrophobicContact CG2-CB 4.04Å; A497-D512 WeakPolarHBondContact O-CA 3.33Å; A497-D512 PolarHBondContact O-N 3.4Å
513	I	97.7	Very high	95.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.235	C	C	.	.			trans	-63	142.1	-178.5	54	177.8	0	0	0	114.1	R355 A497 L510 E517 D518	R355-I513 PolarHBondContact NH2-O 3.1Å; A497-I513 HydrophobicContact CB-CD1 4.22Å; A497-I513 HydrophobicContact CB-CG1 3.75Å; A497-I513 PolarHBondContact O-N 3.18Å; L510-I513 HydrophobicContact CB-CG2 3.75Å; I513-E517 WeakPolarHBondContact CA-OE2 3.18Å; I513-E517 HydrophobicContact CB-CB 4.16Å; I513-E517 HydrophobicContact CG2-CB 4.2Å; I513-D518 HydrophobicContact CD1-CB 4Å
514	A	95.5	Very high	95.3	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-85	165.8	168.2	0	0	0	0	0	111.4	N467 I516 E517 D518	N467-A514 CarbonylContact O-C 3.56Å; N467-A514 WeakPolarHBondContact O-CA 3.5Å; A514-I516 VanDerWaalsContact C-N 3.29Å; A514-I516 HydrophobicContact CB-CG2 4.44Å; A514-I516 PolarHBondContact O-N 2.97Å; A514-E517 HydrophobicContact CB-CG 4.48Å; A514-E517 WeakPolarHBondContact CB-OE2 3.41Å; A514-E517 PolarHBondContact N-OE2 2.83Å; A514-E517 PolarHBondContact O-N 3.02Å; A514-D518 PolarHBondContact O-N 2.8Å
515	G	93.6	Very high	95.7	Very high	28 Å²	28	38.2 Å²	38.2	29%	0.289	18%	0.183	S	C	.	.	H	α-helix	trans	-58.2	-39.3	-177.2	0	0	0	0	0	113.6	N467 E517 Y519	N467-G515 PolarHBondContact O-N 2.8Å; N467-G515 PolarHBondContact OD1-N 3.49Å; G515-E517 VanDerWaalsContact C-N 3.31Å; G515-E517 PolarHBondContact O-N 2.96Å; G515-Y519 WeakPolarHBondContact O-CB 3.49Å; G515-Y519 PolarHBondContact O-N 3.13Å
516	I	94.8	Very high	96.3	Very high	22 Å²	22	29.3 Å²	29.3	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-34.5	176.3	-167.3	168.2	0	0	0	112.3	L286 L335 A514 Y519 F520	L286-I516 HydrophobicContact CD2-CD1 4.32Å; L335-I516 HydrophobicContact CD2-CG1 4.37Å; A514-I516 VanDerWaalsContact C-N 3.29Å; A514-I516 HydrophobicContact CB-CG2 4.44Å; A514-I516 PolarHBondContact O-N 2.97Å; I516-Y519 PolarHBondContact O-N 3.46Å; I516-F520 HydrophobicContact CD1-CD2 4.42Å; I516-F520 HydrophobicContact CD1-CE2 4.3Å; I516-F520 HydrophobicContact CG1-CD2 3.57Å; I516-F520 HydrophobicContact CG1-CE2 3.75Å; I516-F520 WeakPolarHBondContact O-CB 3.38Å; I516-F520 VanDerWaalsContact O-CD2 3.27Å; I516-F520 WeakPolarHBondContact O-CD2 3.46Å; I516-F520 PolarHBondContact O-N 3.02Å
517	E	96.1	Very high	96.5	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-80.7	-31.3	-178.5	-62.6	167.6	142.5	0	0	112.3	R345 L510 I513 A514 G515 G521	R345-E517 IonicContact CZ-OE1 3.83Å; R345-E517 IonicContact CZ-OE2 3.94Å; R345-E517 IonicContact NE-OE1 3.19Å; R345-E517 PolarHBondContact NE-OE1 3.38Å; R345-E517 IonicContact NE-OE2 3.83Å; R345-E517 VanDerWaalsContact NH2-CD 3.34Å; R345-E517 IonicContact NH2-OE1 2.96Å; R345-E517 PolarHBondContact NH2-OE1 2.99Å; R345-E517 IonicContact NH2-OE2 3.93Å; R345-E517 PolarHBondContact NH2-OE2 2.87Å; L510-E517 HydrophobicContact CD1-CB 4.35Å; L510-E517 HydrophobicContact CD1-CG 4.48Å; I513-E517 WeakPolarHBondContact CA-OE2 3.18Å; I513-E517 HydrophobicContact CB-CB 4.16Å; I513-E517 HydrophobicContact CG2-CB 4.2Å; A514-E517 HydrophobicContact CB-CG 4.48Å; A514-E517 WeakPolarHBondContact CB-OE2 3.41Å; A514-E517 PolarHBondContact N-OE2 2.83Å; A514-E517 PolarHBondContact O-N 3.02Å; G515-E517 VanDerWaalsContact C-N 3.31Å; G515-E517 PolarHBondContact O-N 2.96Å; E517-G521 WeakPolarHBondContact O-CA 3.45Å; E517-G521 PolarHBondContact O-N 3.08Å
518	D	94.6	Very high	96.6	Very high	37 Å²	37	21.3 Å²	21.3	20%	0.198	10%	0.103	C	C	.	.	H	α-helix	trans	-60.2	-58.4	163.6	170.3	14.2	0	0	0	108.5	I513 A514 F520 G521 K542	I513-D518 HydrophobicContact CD1-CB 4Å; A514-D518 PolarHBondContact O-N 2.8Å; D518-F520 VanDerWaalsContact C-N 3.33Å; D518-F520 PolarHBondContact O-N 2.97Å; D518-G521 PolarHBondContact O-N 3.31Å; D518-G521 VanDerWaalsContact O-N 3.08Å; D518-K542 PolarHBondContact O-NZ 3.08Å; D518-K542 IonicContact OD1-NZ 3.44Å; D518-K542 PolarHBondContact OD1-NZ 3.32Å
519	Y	92.8	Very high	96.6	Very high	150 Å²	150	16.5 Å²	16.5	59%	0.588	9%	0.085	S	C	*	.	H	α-helix	trans	-54.5	-46.1	-172.7	-173.3	-100.2	0	0	0	113.1	T328 G515 I516	T328-Y519 HydrophobicContact CG2-CE1 4.2Å; G515-Y519 WeakPolarHBondContact O-CB 3.49Å; G515-Y519 PolarHBondContact O-N 3.13Å; I516-Y519 PolarHBondContact O-N 3.46Å
520	F	94.6	Very high	96.6	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.066	8%	0.078	C	C	.	.	H	α-helix	trans	-94.3	-3.4	-179.7	-66.3	-61.7	0	0	0	114.9	T328 I331 R332 L335 R336 I516 D518	T328-F520 HydrophobicContact CG2-CE1 3.74Å; T328-F520 HydrophobicContact CG2-CZ 4.35Å; T328-F520 WeakPolarHBondContact O-CE1 3.36Å; I331-F520 HydrophobicContact CB-CE1 4.22Å; I331-F520 HydrophobicContact CB-CE2 4.2Å; I331-F520 HydrophobicContact CB-CZ 3.77Å; I331-F520 HydrophobicContact CD1-CZ 4.28Å; I331-F520 HydrophobicContact CG2-CD2 4.07Å; I331-F520 HydrophobicContact CG2-CE1 4.25Å; I331-F520 HydrophobicContact CG2-CE2 3.39Å; I331-F520 HydrophobicContact CG2-CZ 3.49Å; I331-F520 VanDerWaalsContact CG2-CZ 3.49Å; R332-F520 HydrophobicContact CB-CB 4.46Å; R332-F520 HydrophobicContact CB-CD1 3.56Å; R332-F520 HydrophobicContact CB-CE1 4.14Å; R332-F520 HydrophobicContact CB-CG 4.28Å; R332-F520 HydrophobicContact CG-CB 4.08Å; R332-F520 HydrophobicContact CG-CD1 3.91Å; R332-F520 HydrophobicContact CG-CG 4.4Å; L335-F520 HydrophobicContact CD2-CB 4.06Å; L335-F520 HydrophobicContact CD2-CD2 4.3Å; R336-F520 PolarHBondContact NE-O 3.26Å; R336-F520 PolarHBondContact NH2-O 3.25Å; I516-F520 HydrophobicContact CD1-CD2 4.42Å; I516-F520 HydrophobicContact CD1-CE2 4.3Å; I516-F520 HydrophobicContact CG1-CD2 3.57Å; I516-F520 HydrophobicContact CG1-CE2 3.75Å; I516-F520 WeakPolarHBondContact O-CB 3.38Å; I516-F520 VanDerWaalsContact O-CD2 3.27Å; I516-F520 WeakPolarHBondContact O-CD2 3.46Å; I516-F520 PolarHBondContact O-N 3.02Å; D518-F520 VanDerWaalsContact C-N 3.33Å; D518-F520 PolarHBondContact O-N 2.97Å
521	G	95.1	Very high	96.4	Very high	4 Å²	4	23.5 Å²	23.5	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-75.5	171.4	174.9	0	0	0	0	0	113.1	L500 E517 D518 K542	L500-G521 WeakPolarHBondContact O-CA 3.3Å; E517-G521 WeakPolarHBondContact O-CA 3.45Å; E517-G521 PolarHBondContact O-N 3.08Å; D518-G521 PolarHBondContact O-N 3.31Å; D518-G521 VanDerWaalsContact O-N 3.08Å; G521-K542 WeakPolarHBondContact O-CD 3.49Å
522	D	96	Very high	96.3	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.059	13%	0.128	C	C	.	.	S	Bend	trans	-104.5	-13.3	-177.9	-71.2	-44.7	0	0	0	112.6	R336 L500 T502 T541 K542 L543	R336-D522 IonicContact CZ-OD1 3.44Å; R336-D522 IonicContact CZ-OD2 2.74Å; R336-D522 IonicContact NH1-OD1 2.72Å; R336-D522 PolarHBondContact NH1-OD1 3.39Å; R336-D522 IonicContact NH1-OD2 2.8Å; R336-D522 PolarHBondContact NH1-OD2 2.89Å; R336-D522 IonicContact NH2-OD1 3.24Å; R336-D522 PolarHBondContact NH2-OD1 3.02Å; R336-D522 IonicContact NH2-OD2 3.51Å; R336-D522 PolarHBondContact NH2-OD2 2.96Å; R336-D522 VanDerWaalsContact NH2-OD2 3.16Å; L500-D522 HydrophobicContact CB-CB 4.34Å; L500-D522 HydrophobicContact CD2-CB 4.27Å; L500-D522 HydrophobicContact CG-CB 4.34Å; L500-D522 PolarHBondContact O-N 2.97Å; T502-D522 WeakPolarHBondContact CB-OD2 3.34Å; T502-D522 HydrophobicContact CG2-CB 4.4Å; T502-D522 PolarHBondContact N-OD2 2.7Å; T502-D522 PolarHBondContact OG1-OD2 2.81Å; D522-T541 WeakPolarHBondContact O-CA 3.49Å; D522-T541 PolarHBondContact O-OG1 2.96Å; D522-K542 PolarHBondContact O-N 3.49Å; D522-L543 HydrophobicContact CB-CD1 4.26Å; D522-L543 HydrophobicContact CB-CD2 3.78Å; D522-L543 HydrophobicContact CB-CG 3.79Å; D522-L543 WeakPolarHBondContact OD1-CD2 3.28Å
523	M	96.8	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	143.7	178.4	-176.7	-176.7	73.7	0	0	109.9	I498 G499 L500 L509 F525 L539 D540 I547 A555	I498-M523 HydrophobicContact CG2-CE 4.41Å; G499-M523 VanDerWaalsContact CA-O 3.3Å; G499-M523 WeakPolarHBondContact CA-O 3.21Å; L500-M523 HydrophobicContact CB-CB 3.42Å; L500-M523 VanDerWaalsContact CB-CB 3.42Å; L500-M523 HydrophobicContact CB-CE 3.97Å; L500-M523 HydrophobicContact CB-CG 4.49Å; L500-M523 HydrophobicContact CB-SD 4.42Å; L500-M523 HydrophobicContact CD2-CB 4.24Å; L500-M523 HydrophobicContact CG-CB 4.49Å; L500-M523 PolarHBondContact N-O 3.44Å; L509-M523 HydrophobicContact CD2-CE 3.84Å; M523-F525 HydrophobicContact CE-CB 3.89Å; M523-F525 HydrophobicContact CG-CB 4.28Å; M523-F525 HydrophobicContact SD-CB 4.19Å; M523-L539 HydrophobicContact CG-CD1 4.32Å; M523-L539 HydrophobicContact CG-CD2 4.41Å; M523-L539 HydrophobicContact CG-CG 4.14Å; M523-L539 HydrophobicContact SD-CD1 3.72Å; M523-L539 HydrophobicContact SD-CG 4.2Å; M523-D540 CarbonylContact C-O 3.56Å; M523-D540 WeakPolarHBondContact CA-O 3.48Å; M523-I547 HydrophobicContact SD-CD1 3.55Å; M523-I547 VanDerWaalsContact SD-CD1 3.55Å; M523-A555 HydrophobicContact CE-CB 3.87Å
524	D	95.9	Very high	96.2	Very high	16 Å²	16	26.9 Å²	26.9	9%	0.086	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	102.7	166.8	169.4	15.9	0	0	0	107.7	K526 D540	D524-K526 IonicContact OD1-NZ 2.7Å; D524-K526 PolarHBondContact OD1-NZ 3.23Å; D524-K526 WeakPolarHBondContact OD2-CE 3.42Å; D524-K526 IonicContact OD2-NZ 2.64Å; D524-K526 PolarHBondContact OD2-NZ 3.02Å; D524-D540 PolarHBondContact N-O 2.91Å; D524-D540 PolarHBondContact O-N 2.85Å
525	F	98.2	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.8	179.7	176.5	-125.8	0	0	0	111	A497 I498 M523 I527 M537 Q538 L539 F552 A555 I556	A497-F525 CarbonylContact C-O 3.57Å; A497-F525 WeakPolarHBondContact CA-O 3.46Å; I498-F525 HydrophobicContact CB-CB 4.29Å; I498-F525 HydrophobicContact CB-CD1 4.05Å; I498-F525 HydrophobicContact CG1-CD1 4.16Å; I498-F525 PolarHBondContact N-O 3.37Å; I498-F525 PolarHBondContact O-N 2.89Å; M523-F525 HydrophobicContact CE-CB 3.89Å; M523-F525 HydrophobicContact CG-CB 4.28Å; M523-F525 HydrophobicContact SD-CB 4.19Å; F525-I527 HydrophobicContact CD1-CG2 4.38Å; F525-I527 HydrophobicContact CE1-CB 3.9Å; F525-I527 HydrophobicContact CE1-CD1 4.07Å; F525-I527 HydrophobicContact CE1-CG2 3.91Å; F525-I527 HydrophobicContact CZ-CB 3.86Å; F525-I527 HydrophobicContact CZ-CD1 3.94Å; F525-I527 HydrophobicContact CZ-CG1 4.38Å; F525-I527 HydrophobicContact CZ-CG2 4.39Å; F525-M537 HydrophobicContact CE2-CB 4Å; F525-M537 HydrophobicContact CE2-CG 4.37Å; F525-M537 HydrophobicContact CE2-SD 4.32Å; F525-M537 HydrophobicContact CZ-CB 4.41Å; F525-M537 HydrophobicContact CZ-CG 4.29Å; F525-M537 HydrophobicContact CZ-SD 3.96Å; F525-Q538 CarbonylContact C-O 3.51Å; F525-Q538 WeakPolarHBondContact CA-O 3.49Å; F525-L539 HydrophobicContact CB-CD1 4.16Å; F525-L539 HydrophobicContact CB-CG 4.28Å; F525-L539 HydrophobicContact CD2-CB 3.67Å; F525-L539 HydrophobicContact CD2-CD1 3.78Å; F525-L539 HydrophobicContact CD2-CG 4.04Å; F525-L539 HydrophobicContact CE2-CB 4.3Å; F525-L539 HydrophobicContact CE2-CD1 4.42Å; F525-L539 HydrophobicContact CG-CD1 4.1Å; F525-F552 HydrophobicContact CD2-CE2 4.49Å; F525-F552 AromaticContact CE2-CE2 3.89Å; F525-F552 HydrophobicContact CE2-CE2 3.89Å; F525-F552 HydrophobicContact CZ-CE2 4.13Å; F525-A555 HydrophobicContact CD1-CB 3.81Å; F525-A555 HydrophobicContact CE1-CB 4.22Å; F525-A555 WeakPolarHBondContact CE1-O 3.49Å; F525-I556 HydrophobicContact CE1-CG1 4.18Å; F525-I556 HydrophobicContact CZ-CG1 3.85Å
526	K	98.6	Very high	96.6	Very high	10 Å²	10	25.5 Å²	25.5	4%	0.043	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.4	177.7	-50.7	178.3	-168.6	70.6	0	109.1	L440 M472 A497 D524 M537 Q538	L440-K526 HydrophobicContact CD2-CB 4.1Å; L440-K526 HydrophobicContact CD2-CD 3.78Å; M472-K526 HydrophobicContact CE-CB 4.07Å; M472-K526 HydrophobicContact CG-CB 4.08Å; M472-K526 HydrophobicContact CG-CG 4.48Å; M472-K526 HydrophobicContact SD-CB 3.95Å; A497-K526 HydrophobicContact CB-CG 4.45Å; D524-K526 IonicContact OD1-NZ 2.7Å; D524-K526 PolarHBondContact OD1-NZ 3.23Å; D524-K526 WeakPolarHBondContact OD2-CE 3.42Å; D524-K526 IonicContact OD2-NZ 2.64Å; D524-K526 PolarHBondContact OD2-NZ 3.02Å; K526-M537 CarbonylContact O-C 3.53Å; K526-M537 VanDerWaalsContact O-CA 3.32Å; K526-M537 WeakPolarHBondContact O-CA 3.49Å; K526-Q538 HydrophobicContact CB-CB 4.3Å; K526-Q538 PolarHBondContact N-O 3.27Å; K526-Q538 PolarHBondContact O-N 2.81Å
527	I	98.5	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.3	-179.1	179.6	165.8	0	0	0	110.2	G495 V496 I498 F525 V534 M537 I556 V560 N563	G495-I527 WeakPolarHBondContact CA-O 3.47Å; V496-I527 HydrophobicContact CG1-CG2 3.76Å; V496-I527 PolarHBondContact N-O 3.28Å; V496-I527 PolarHBondContact O-N 3.49Å; I498-I527 HydrophobicContact CG1-CG2 4.47Å; F525-I527 HydrophobicContact CD1-CG2 4.38Å; F525-I527 HydrophobicContact CE1-CB 3.9Å; F525-I527 HydrophobicContact CE1-CD1 4.07Å; F525-I527 HydrophobicContact CE1-CG2 3.91Å; F525-I527 HydrophobicContact CZ-CB 3.86Å; F525-I527 HydrophobicContact CZ-CD1 3.94Å; F525-I527 HydrophobicContact CZ-CG1 4.38Å; F525-I527 HydrophobicContact CZ-CG2 4.39Å; I527-V534 HydrophobicContact CD1-CG2 4.15Å; I527-V534 HydrophobicContact CG1-CG1 4.45Å; I527-M537 HydrophobicContact CB-CG 4.43Å; I527-M537 HydrophobicContact CD1-CG 4.19Å; I527-M537 HydrophobicContact CD1-SD 4.12Å; I527-M537 HydrophobicContact CG1-CG 3.99Å; I527-I556 HydrophobicContact CD1-CG2 4.15Å; I527-V560 HydrophobicContact CD1-CG2 4.03Å; I527-N563 PolarHBondContact O-ND2 3.42Å
528	A	98.7	Very high	96.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.5	172.9	0	0	0	0	0	109.9	A444 V475 V493 S494 T535 A536	A444-A528 HydrophobicContact CB-CB 3.61Å; V475-A528 HydrophobicContact CG1-CB 4.14Å; V493-A528 HydrophobicContact CG1-CB 4.17Å; S494-A528 CarbonylContact O-C 3.39Å; S494-A528 WeakPolarHBondContact O-CA 3.37Å; A528-T535 PolarHBondContact O-N 3.16Å; A528-T535 PolarHBondContact O-OG1 3.25Å; A528-A536 HydrophobicContact CB-CB 4.37Å; A528-A536 PolarHBondContact N-O 3.35Å; A528-A536 PolarHBondContact O-N 3.16Å
529	S	98.2	Very high	97	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.5	179.1	56.5	0	0	0	0	111.5	S494 G533 N563	S494-S529 PolarHBondContact N-O 3.34Å; S494-S529 PolarHBondContact O-N 3.32Å; S529-G533 CarbonylContact C-O 3.55Å; S529-G533 VanDerWaalsContact CA-O 3.26Å; S529-G533 WeakPolarHBondContact CA-O 3.45Å; S529-G533 VanDerWaalsContact CB-O 3.29Å; S529-G533 WeakPolarHBondContact CB-O 3.5Å; S529-N563 PolarHBondContact N-ND2 3.03Å; S529-N563 WeakPolarHBondContact OG-CB 3.3Å; S529-N563 PolarHBondContact OG-ND2 3.33Å
530	S	97.2	Very high	97.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-179	164.9	72.9	0	0	0	0	109.3	C491 P492 E532 G533	C491-S530 WeakPolarHBondContact SG-CB 3Å; C491-S530 PolarHBondContact SG-OG 3Å; P492-S530 WeakPolarHBondContact O-CB 3.47Å; S530-E532 PolarHBondContact O-N 3.08Å; S530-E532 VanDerWaalsContact O-N 3.09Å; S530-E532 PolarHBondContact OG-N 3.04Å; S530-E532 VanDerWaalsContact OG-N 3.14Å; S530-G533 PolarHBondContact N-O 2.71Å; S530-G533 PolarHBondContact O-N 2.91Å
531	K	95.3	Very high	97.1	Very high	176 Å²	176	17.1 Å²	17.1	77%	0.765	8%	0.084	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.3	170.3	-68.4	-169.7	175	-176.4	0	114	L567	K531-L567 HydrophobicContact CG-CD1 4.36Å
532	E	95	Very high	97	Very high	79 Å²	79	21.5 Å²	21.5	37%	0.369	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-19.8	178.3	-62.2	173.2	-178.8	0	0	112.5	R490 C491 S530	R490-E532 IonicContact CZ-OE2 3.31Å; R490-E532 IonicContact NE-OE1 2.77Å; R490-E532 PolarHBondContact NE-OE1 3.02Å; R490-E532 VanDerWaalsContact NE-OE1 3.16Å; R490-E532 IonicContact NE-OE2 3.16Å; R490-E532 PolarHBondContact NE-OE2 3.45Å; R490-E532 IonicContact NH2-OE2 2.72Å; R490-E532 PolarHBondContact NH2-OE2 3.31Å; C491-E532 VanDerWaalsContact SG-CD 3.58Å; S530-E532 PolarHBondContact O-N 3.08Å; S530-E532 VanDerWaalsContact O-N 3.09Å; S530-E532 PolarHBondContact OG-N 3.04Å; S530-E532 VanDerWaalsContact OG-N 3.14Å
533	G	96.6	Very high	96.9	Very high	7 Å²	7	22.5 Å²	22.5	7%	0.072	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-164.1	-178.8	0	0	0	0	0	113.5	I223 S529 S530	I223-G533 CarbonylContact O-C 3.52Å; I223-G533 WeakPolarHBondContact O-CA 3.37Å; S529-G533 CarbonylContact C-O 3.55Å; S529-G533 VanDerWaalsContact CA-O 3.26Å; S529-G533 WeakPolarHBondContact CA-O 3.45Å; S529-G533 VanDerWaalsContact CB-O 3.29Å; S529-G533 WeakPolarHBondContact CB-O 3.5Å; S530-G533 PolarHBondContact N-O 2.71Å; S530-G533 PolarHBondContact O-N 2.91Å
534	V	98.2	Very high	96.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.7	-173.4	179.5	0	0	0	0	111.3	I223 V228 I527 M537 V560	I223-V534 PolarHBondContact N-O 3.36Å; I223-V534 PolarHBondContact O-N 2.97Å; V228-V534 HydrophobicContact CG2-CB 4.1Å; V228-V534 HydrophobicContact CG2-CG2 4.16Å; I527-V534 HydrophobicContact CD1-CG2 4.15Å; I527-V534 HydrophobicContact CG1-CG1 4.45Å; V534-M537 HydrophobicContact CG1-CE 4.43Å; V534-M537 HydrophobicContact CG1-CG 3.45Å; V534-M537 VanDerWaalsContact CG1-CG 3.45Å; V534-M537 HydrophobicContact CG1-SD 3.83Å; V534-V560 HydrophobicContact CG2-CG2 4.03Å
535	T	98.3	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-31.4	177.1	60.7	0	0	0	0	113.3	S219 G220 A444 A447 V493 A528	S219-T535 CarbonylContact C-O 3.56Å; S219-T535 WeakPolarHBondContact CA-O 3.2Å; G220-T535 PolarHBondContact N-O 3Å; G220-T535 VanDerWaalsContact O-CA 3.29Å; G220-T535 WeakPolarHBondContact O-CA 3.24Å; A444-T535 WeakPolarHBondContact O-CB 3.42Å; A444-T535 PolarHBondContact O-OG1 3.48Å; A447-T535 HydrophobicContact CB-CG2 4.3Å; V493-T535 HydrophobicContact CG1-CG2 4.37Å; V493-T535 WeakPolarHBondContact CG1-OG1 3.3Å; V493-T535 HydrophobicContact CG2-CG2 4.24Å; A528-T535 PolarHBondContact O-N 3.16Å; A528-T535 PolarHBondContact O-OG1 3.25Å
536	A	98.3	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.8	171.6	0	0	0	0	0	111.8	A218 L440 K443 A444 A528	A218-A536 VanDerWaalsContact O-CA 3.29Å; A218-A536 WeakPolarHBondContact O-CA 3.39Å; L440-A536 HydrophobicContact CD1-CB 4.06Å; K443-A536 HydrophobicContact CB-CB 4.38Å; A444-A536 HydrophobicContact CB-CB 3.78Å; A528-A536 HydrophobicContact CB-CB 4.37Å; A528-A536 PolarHBondContact N-O 3.35Å; A528-A536 PolarHBondContact O-N 3.16Å
537	M	97.8	Very high	95.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.6	173.3	-58.4	-176	-64.2	0	0	111	F201 E217 A218 V228 F525 K526 I527 V534 I556	F201-M537 HydrophobicContact CZ-CE 4.27Å; E217-M537 WeakPolarHBondContact CA-O 3.19Å; A218-M537 HydrophobicContact CB-CB 4.05Å; A218-M537 HydrophobicContact CB-CE 3.7Å; A218-M537 PolarHBondContact N-O 2.87Å; A218-M537 PolarHBondContact O-N 2.87Å; V228-M537 HydrophobicContact CG1-CE 3.38Å; V228-M537 HydrophobicContact CG1-SD 3.97Å; F525-M537 HydrophobicContact CE2-CB 4Å; F525-M537 HydrophobicContact CE2-CG 4.37Å; F525-M537 HydrophobicContact CE2-SD 4.32Å; F525-M537 HydrophobicContact CZ-CB 4.41Å; F525-M537 HydrophobicContact CZ-CG 4.29Å; F525-M537 HydrophobicContact CZ-SD 3.96Å; K526-M537 CarbonylContact O-C 3.53Å; K526-M537 VanDerWaalsContact O-CA 3.32Å; K526-M537 WeakPolarHBondContact O-CA 3.49Å; I527-M537 HydrophobicContact CB-CG 4.43Å; I527-M537 HydrophobicContact CD1-CG 4.19Å; I527-M537 HydrophobicContact CD1-SD 4.12Å; I527-M537 HydrophobicContact CG1-CG 3.99Å; V534-M537 HydrophobicContact CG1-CE 4.43Å; V534-M537 HydrophobicContact CG1-CG 3.45Å; V534-M537 VanDerWaalsContact CG1-CG 3.45Å; V534-M537 HydrophobicContact CG1-SD 3.83Å; M537-I556 HydrophobicContact SD-CG1 4.25Å
538	Q	98.3	Very high	95.8	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	118.3	172.8	-175.5	173.5	82.6	0	0	109	R123 V216 E217 L440 F525 K526	R123-Q538 VanDerWaalsContact CZ-CG 3.5Å; V216-Q538 CarbonylContact O-C 3.56Å; V216-Q538 VanDerWaalsContact O-CA 3.29Å; V216-Q538 WeakPolarHBondContact O-CA 3.48Å; E217-Q538 WeakPolarHBondContact OE2-CG 3.47Å; E217-Q538 PolarHBondContact OE2-NE2 3.31Å; L440-Q538 HydrophobicContact CD1-CB 3.91Å; L440-Q538 HydrophobicContact CD2-CB 3.77Å; L440-Q538 HydrophobicContact CD2-CG 4.44Å; L440-Q538 HydrophobicContact CG-CB 4.49Å; F525-Q538 CarbonylContact C-O 3.51Å; F525-Q538 WeakPolarHBondContact CA-O 3.49Å; K526-Q538 HydrophobicContact CB-CB 4.3Å; K526-Q538 PolarHBondContact N-O 3.27Å; K526-Q538 PolarHBondContact O-N 2.81Å
539	L	97.8	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.9	175.9	-169.5	145.5	0	0	0	110.1	R123 V213 M215 V216 M523 F525 I547 F552	R123-L539 PolarHBondContact NH2-O 3.48Å; V213-L539 HydrophobicContact CG1-CD2 4.27Å; M215-L539 WeakPolarHBondContact CA-O 3.04Å; V216-L539 HydrophobicContact CB-CB 3.64Å; V216-L539 HydrophobicContact CG2-CB 3.91Å; V216-L539 PolarHBondContact N-O 3.46Å; V216-L539 PolarHBondContact O-N 3.36Å; M523-L539 HydrophobicContact CG-CD1 4.32Å; M523-L539 HydrophobicContact CG-CD2 4.41Å; M523-L539 HydrophobicContact CG-CG 4.14Å; M523-L539 HydrophobicContact SD-CD1 3.72Å; M523-L539 HydrophobicContact SD-CG 4.2Å; F525-L539 HydrophobicContact CB-CD1 4.16Å; F525-L539 HydrophobicContact CB-CG 4.28Å; F525-L539 HydrophobicContact CD2-CB 3.67Å; F525-L539 HydrophobicContact CD2-CD1 3.78Å; F525-L539 HydrophobicContact CD2-CG 4.04Å; F525-L539 HydrophobicContact CE2-CB 4.3Å; F525-L539 HydrophobicContact CE2-CD1 4.42Å; F525-L539 HydrophobicContact CG-CD1 4.1Å; L539-I547 HydrophobicContact CD1-CD1 4.01Å; L539-I547 HydrophobicContact CD2-CD1 4.44Å; L539-F552 HydrophobicContact CD1-CD2 3.32Å; L539-F552 HydrophobicContact CD1-CE2 3.7Å; L539-F552 HydrophobicContact CD1-CG 4.28Å
540	D	95.7	Very high	95.6	Very high	34 Å²	34	31.9 Å²	31.9	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.1	167.1	-68.6	-54	0	0	0	109.5	R123 M523 D524	R123-D540 WeakPolarHBondContact CB-OD1 3.4Å; R123-D540 WeakPolarHBondContact CG-OD1 3.44Å; R123-D540 IonicContact CZ-OD1 3.47Å; R123-D540 VanDerWaalsContact CZ-OD1 3.25Å; R123-D540 IonicContact CZ-OD2 2.71Å; R123-D540 IonicContact NE-OD1 2.58Å; R123-D540 PolarHBondContact NE-OD1 3.15Å; R123-D540 IonicContact NE-OD2 3.94Å; R123-D540 PolarHBondContact NE-OD2 3.4Å; R123-D540 IonicContact NH2-OD1 2.89Å; R123-D540 PolarHBondContact NH2-OD1 3.17Å; R123-D540 IonicContact NH2-OD2 3.96Å; R123-D540 PolarHBondContact NH2-OD2 3.27Å; M523-D540 CarbonylContact C-O 3.56Å; M523-D540 WeakPolarHBondContact CA-O 3.48Å; D524-D540 PolarHBondContact N-O 2.91Å; D524-D540 PolarHBondContact O-N 2.85Å
541	T	95.5	Very high	95.6	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.067	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.4	173.4	-172.6	0	0	0	0	111.8	C127 V214 D522 L543 I547	C127-T541 HydrophobicContact CB-CG2 4.42Å; C127-T541 WeakPolarHBondContact CB-O 3.43Å; V214-T541 VanDerWaalsContact O-CG2 3.28Å; V214-T541 WeakPolarHBondContact O-CG2 3.49Å; V214-T541 PolarHBondContact O-N 3.23Å; D522-T541 WeakPolarHBondContact O-CA 3.49Å; D522-T541 PolarHBondContact O-OG1 2.96Å; T541-L543 PolarHBondContact OG1-N 3.4Å; T541-L543 VanDerWaalsContact OG1-N 3.15Å; T541-I547 WeakPolarHBondContact OG1-CG2 3.48Å
542	K	92.6	Very high	95.7	Very high	96 Å²	96	24.3 Å²	24.3	42%	0.417	14%	0.136	S	C	.	.			trans	-103.6	-5.8	172.5	-63.3	171.3	-171.2	168.6	0	111.4	D518 G521 D522	D518-K542 PolarHBondContact O-NZ 3.08Å; D518-K542 IonicContact OD1-NZ 3.44Å; D518-K542 PolarHBondContact OD1-NZ 3.32Å; G521-K542 WeakPolarHBondContact O-CD 3.49Å; D522-K542 PolarHBondContact O-N 3.49Å
543	L	92.5	Very high	95.8	Very high	32 Å²	32	21.5 Å²	21.5	17%	0.168	12%	0.124	C	C	.	.	S	Bend	trans	-70.1	132.1	172.9	-66.2	-180	0	0	0	110	L500 T502 D522 T541 G545 G546 I547	L500-L543 HydrophobicContact CD2-CD1 4.14Å; T502-L543 HydrophobicContact CG2-CD1 3.98Å; D522-L543 HydrophobicContact CB-CD1 4.26Å; D522-L543 HydrophobicContact CB-CD2 3.78Å; D522-L543 HydrophobicContact CB-CG 3.79Å; D522-L543 WeakPolarHBondContact OD1-CD2 3.28Å; T541-L543 PolarHBondContact OG1-N 3.4Å; T541-L543 VanDerWaalsContact OG1-N 3.15Å; L543-G545 PolarHBondContact O-N 2.97Å; L543-G545 VanDerWaalsContact O-N 3.12Å; L543-G546 PolarHBondContact O-N 2.81Å; L543-I547 HydrophobicContact CD1-CG2 3.73Å; L543-I547 HydrophobicContact CG-CG2 4.48Å
544	L	90.5	Very high	95.8	Very high	77 Å²	77	24.9 Å²	24.9	40%	0.403	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	116.6	176.7	-172.4	58.8	0	0	0	109.5	C127 Q172 G546	C127-L544 WeakPolarHBondContact O-CD1 3.5Å; Q172-L544 HydrophobicContact CB-CD1 4.34Å; Q172-L544 HydrophobicContact CG-CD1 4.48Å; L544-G546 VanDerWaalsContact C-N 3.33Å; L544-G546 PolarHBondContact O-N 3.35Å
545	G	87.4	Confident	95.8	Very high	12 Å²	12	24.8 Å²	24.8	12%	0.124	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-2.1	-178.5	0	0	0	0	0	115.7	T208 R212 L543	T208-G545 WeakPolarHBondContact CG2-O 3.32Å; T208-G545 PolarHBondContact OG1-O 3.12Å; R212-G545 WeakPolarHBondContact CB-O 3.41Å; L543-G545 PolarHBondContact O-N 2.97Å; L543-G545 VanDerWaalsContact O-N 3.12Å
546	G	94.5	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.			trans	104.4	-179	173.2	0	0	0	0	0	116.2	R212 V213 L543 L544	R212-G546 VanDerWaalsContact CZ-O 3.22Å; R212-G546 PolarHBondContact NE-O 3.06Å; R212-G546 PolarHBondContact NH2-O 3.3Å; V213-G546 CarbonylContact O-C 3.56Å; V213-G546 WeakPolarHBondContact O-CA 3.48Å; L543-G546 PolarHBondContact O-N 2.81Å; L544-G546 VanDerWaalsContact C-N 3.33Å; L544-G546 PolarHBondContact O-N 3.35Å
547	I	96.3	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-103	154.8	178.2	54.6	157.1	0	0	0	111.3	R212 V213 L500 M523 L539 T541 L543 I551 F552	R212-I547 CarbonylContact C-O 3.56Å; R212-I547 WeakPolarHBondContact CA-O 3.44Å; R212-I547 WeakPolarHBondContact CB-O 3.44Å; V213-I547 HydrophobicContact CB-CG1 4.02Å; V213-I547 PolarHBondContact N-O 3.12Å; V213-I547 WeakPolarHBondContact O-CG1 3.41Å; V213-I547 PolarHBondContact O-N 3.44Å; L500-I547 HydrophobicContact CD2-CG2 3.59Å; M523-I547 HydrophobicContact SD-CD1 3.55Å; M523-I547 VanDerWaalsContact SD-CD1 3.55Å; L539-I547 HydrophobicContact CD1-CD1 4.01Å; L539-I547 HydrophobicContact CD2-CD1 4.44Å; T541-I547 WeakPolarHBondContact OG1-CG2 3.48Å; L543-I547 HydrophobicContact CD1-CG2 3.73Å; L543-I547 HydrophobicContact CG-CG2 4.48Å; I547-I551 HydrophobicContact CD1-CG2 4.39Å; I547-F552 HydrophobicContact CD1-CB 3.85Å
548	A	96.1	Very high	95.8	Very high	36 Å²	36	29.9 Å²	29.9	30%	0.298	16%	0.164	S	C	.	.			trans	-60.1	146.2	171.7	0	0	0	0	0	111	S550 I551 F552	A548-S550 VanDerWaalsContact C-N 3.28Å; A548-S550 PolarHBondContact O-N 3.45Å; A548-I551 HydrophobicContact CB-CD1 4.14Å; A548-I551 HydrophobicContact CB-CG1 4.2Å; A548-I551 PolarHBondContact O-N 3.15Å; A548-F552 PolarHBondContact O-N 3.17Å
549	D	96.3	Very high	95.8	Very high	39 Å²	39	29.6 Å²	29.6	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-32.3	179	62.6	-20.1	0	0	0	112.2	R211 V213 L236 I551 F552 M553	R211-D549 IonicContact CZ-OD2 3.88Å; R211-D549 IonicContact NE-OD2 2.75Å; R211-D549 PolarHBondContact NE-OD2 3.35Å; R211-D549 IonicContact NH2-OD2 2.9Å; R211-D549 PolarHBondContact NH2-OD2 2.85Å; R211-D549 VanDerWaalsContact NH2-OD2 3.08Å; V213-D549 HydrophobicContact CG2-CB 4.37Å; L236-D549 HydrophobicContact CD1-CB 3.49Å; L236-D549 VanDerWaalsContact CD1-CB 3.49Å; D549-I551 PolarHBondContact O-N 3.21Å; D549-F552 WeakPolarHBondContact O-CB 3.4Å; D549-F552 PolarHBondContact O-N 3.43Å; D549-F552 VanDerWaalsContact O-N 3.17Å; D549-M553 WeakPolarHBondContact O-CG 3.22Å; D549-M553 PolarHBondContact O-N 2.91Å
550	S	96.6	Very high	95.8	Very high	59 Å²	59	30.6 Å²	30.6	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-55.8	-47.3	171.5	58	0	0	0	0	112.9	A548 F552 M553 E554	A548-S550 VanDerWaalsContact C-N 3.28Å; A548-S550 PolarHBondContact O-N 3.45Å; S550-F552 VanDerWaalsContact C-N 3.26Å; S550-F552 PolarHBondContact O-N 2.87Å; S550-M553 PolarHBondContact O-N 3.19Å; S550-M553 VanDerWaalsContact O-N 3.1Å; S550-E554 PolarHBondContact O-N 3.42Å
551	I	97.3	Very high	95.9	Very high	17 Å²	17	35 Å²	35	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-39.1	177.7	-61.2	174.6	0	0	0	110.3	L500 Y507 L509 I547 A548 D549 E554 A555	L500-I551 HydrophobicContact CD1-CG2 3.74Å; L500-I551 HydrophobicContact CD2-CG2 4.1Å; Y507-I551 HydrophobicContact CD1-CD1 3.99Å; Y507-I551 HydrophobicContact CD1-CG1 4.32Å; Y507-I551 HydrophobicContact CD2-CD1 4.36Å; Y507-I551 HydrophobicContact CD2-CG1 4.31Å; Y507-I551 HydrophobicContact CD2-CG2 4.43Å; Y507-I551 HydrophobicContact CE1-CD1 4.17Å; Y507-I551 HydrophobicContact CE1-CG1 4.02Å; Y507-I551 HydrophobicContact CE2-CG1 4.01Å; Y507-I551 HydrophobicContact CE2-CG2 4.41Å; Y507-I551 HydrophobicContact CG-CD1 4.1Å; Y507-I551 HydrophobicContact CG-CG1 4.46Å; L509-I551 HydrophobicContact CD2-CG2 4.2Å; I547-I551 HydrophobicContact CD1-CG2 4.39Å; A548-I551 HydrophobicContact CB-CD1 4.14Å; A548-I551 HydrophobicContact CB-CG1 4.2Å; A548-I551 PolarHBondContact O-N 3.15Å; D549-I551 PolarHBondContact O-N 3.21Å; I551-E554 PolarHBondContact O-N 2.99Å; I551-A555 WeakPolarHBondContact O-CB 3.31Å; I551-A555 PolarHBondContact O-N 3.13Å
552	F	97.7	Very high	96.1	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-42.4	175.6	174.2	-129.6	0	0	0	111.9	L205 V213 V216 A232 F525 L539 I547 A548 D549 S550 A555 I556	L205-F552 HydrophobicContact CD1-CE1 4.28Å; V213-F552 HydrophobicContact CG2-CB 4.18Å; V213-F552 HydrophobicContact CG2-CD1 4.06Å; V213-F552 HydrophobicContact CG2-CG 4.32Å; V216-F552 HydrophobicContact CB-CZ 4.43Å; V216-F552 HydrophobicContact CG1-CZ 4.21Å; V216-F552 HydrophobicContact CG2-CE1 4.23Å; V216-F552 HydrophobicContact CG2-CE2 4.03Å; V216-F552 HydrophobicContact CG2-CZ 3.75Å; A232-F552 HydrophobicContact CB-CE1 3.85Å; F525-F552 HydrophobicContact CD2-CE2 4.49Å; F525-F552 AromaticContact CE2-CE2 3.89Å; F525-F552 HydrophobicContact CE2-CE2 3.89Å; F525-F552 HydrophobicContact CZ-CE2 4.13Å; L539-F552 HydrophobicContact CD1-CD2 3.32Å; L539-F552 HydrophobicContact CD1-CE2 3.7Å; L539-F552 HydrophobicContact CD1-CG 4.28Å; I547-F552 HydrophobicContact CD1-CB 3.85Å; A548-F552 PolarHBondContact O-N 3.17Å; D549-F552 WeakPolarHBondContact O-CB 3.4Å; D549-F552 PolarHBondContact O-N 3.43Å; D549-F552 VanDerWaalsContact O-N 3.17Å; S550-F552 VanDerWaalsContact C-N 3.26Å; S550-F552 PolarHBondContact O-N 2.87Å; F552-A555 PolarHBondContact O-N 2.82Å; F552-I556 HydrophobicContact CD1-CD1 4.36Å; F552-I556 HydrophobicContact CD2-CD1 4.34Å; F552-I556 HydrophobicContact CD2-CG1 4.34Å; F552-I556 HydrophobicContact CE1-CD1 3.9Å; F552-I556 HydrophobicContact CE2-CD1 3.87Å; F552-I556 HydrophobicContact CE2-CG1 3.92Å; F552-I556 HydrophobicContact CZ-CD1 3.63Å; F552-I556 HydrophobicContact CZ-CG1 4.17Å; F552-I556 WeakPolarHBondContact O-CG1 3.21Å; F552-I556 PolarHBondContact O-N 2.89Å; F552-I556 VanDerWaalsContact O-N 3.11Å
553	M	97.2	Very high	96.3	Very high	21 Å²	21	30 Å²	30	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-44.2	177.6	-58.6	-50.8	170.7	0	0	112	R229 A232 Q233 D549 S550 A555 I556 E557	R229-M553 HydrophobicContact CB-SD 3.84Å; R229-M553 HydrophobicContact CG-SD 3.59Å; R229-M553 VanDerWaalsContact CG-SD 3.59Å; A232-M553 HydrophobicContact CB-CE 3.91Å; Q233-M553 HydrophobicContact CG-CE 3.93Å; D549-M553 WeakPolarHBondContact O-CG 3.22Å; D549-M553 PolarHBondContact O-N 2.91Å; S550-M553 PolarHBondContact O-N 3.19Å; S550-M553 VanDerWaalsContact O-N 3.1Å; M553-A555 VanDerWaalsContact C-N 3.3Å; M553-A555 PolarHBondContact O-N 2.85Å; M553-I556 WeakPolarHBondContact O-CB 3.46Å; M553-I556 PolarHBondContact O-N 3.49Å; M553-I556 HydrophobicContact SD-CD1 4.28Å; M553-E557 PolarHBondContact O-N 2.8Å
554	E	97.7	Very high	96.6	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.36	18%	0.177	S	C	.	.	H	α-helix	trans	-60.8	-39.3	175.1	-72	171.3	-145.3	0	0	111.8	Y507 L509 S550 I551 I556 E557 A558	Y507-E554 PolarHBondContact OH-OE1 3.02Å; Y507-E554 PolarHBondContact OH-OE2 3.18Å; L509-E554 HydrophobicContact CD1-CB 3.82Å; S550-E554 PolarHBondContact O-N 3.42Å; I551-E554 PolarHBondContact O-N 2.99Å; E554-I556 VanDerWaalsContact C-N 3.34Å; E554-I556 PolarHBondContact O-N 3.28Å; E554-E557 PolarHBondContact O-N 3.08Å; E554-A558 PolarHBondContact O-N 2.92Å
555	A	98.2	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-34.7	177.7	0	0	0	0	0	112.8	I498 L509 M523 F525 I551 F552 M553 G559	I498-A555 HydrophobicContact CG2-CB 4.31Å; L509-A555 HydrophobicContact CD1-CB 4.36Å; L509-A555 HydrophobicContact CD2-CB 4.11Å; M523-A555 HydrophobicContact CE-CB 3.87Å; F525-A555 HydrophobicContact CD1-CB 3.81Å; F525-A555 HydrophobicContact CE1-CB 4.22Å; F525-A555 WeakPolarHBondContact CE1-O 3.49Å; I551-A555 WeakPolarHBondContact O-CB 3.31Å; I551-A555 PolarHBondContact O-N 3.13Å; F552-A555 PolarHBondContact O-N 2.82Å; M553-A555 VanDerWaalsContact C-N 3.3Å; M553-A555 PolarHBondContact O-N 2.85Å; A555-G559 PolarHBondContact O-N 2.86Å
556	I	98.2	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-48.7	172.7	-66.6	164.1	0	0	0	110	T225 V228 R229 F525 I527 M537 F552 M553 E554 G559 V560	T225-I556 HydrophobicContact CG2-CG2 3.73Å; V228-I556 HydrophobicContact CG1-CD1 4.16Å; R229-I556 HydrophobicContact CG-CD1 4.46Å; F525-I556 HydrophobicContact CE1-CG1 4.18Å; F525-I556 HydrophobicContact CZ-CG1 3.85Å; I527-I556 HydrophobicContact CD1-CG2 4.15Å; M537-I556 HydrophobicContact SD-CG1 4.25Å; F552-I556 HydrophobicContact CD1-CD1 4.36Å; F552-I556 HydrophobicContact CD2-CD1 4.34Å; F552-I556 HydrophobicContact CD2-CG1 4.34Å; F552-I556 HydrophobicContact CE1-CD1 3.9Å; F552-I556 HydrophobicContact CE2-CD1 3.87Å; F552-I556 HydrophobicContact CE2-CG1 3.92Å; F552-I556 HydrophobicContact CZ-CD1 3.63Å; F552-I556 HydrophobicContact CZ-CG1 4.17Å; F552-I556 WeakPolarHBondContact O-CG1 3.21Å; F552-I556 PolarHBondContact O-N 2.89Å; F552-I556 VanDerWaalsContact O-N 3.11Å; M553-I556 WeakPolarHBondContact O-CB 3.46Å; M553-I556 PolarHBondContact O-N 3.49Å; M553-I556 HydrophobicContact SD-CD1 4.28Å; E554-I556 VanDerWaalsContact C-N 3.34Å; E554-I556 PolarHBondContact O-N 3.28Å; I556-G559 PolarHBondContact O-N 2.78Å; I556-V560 WeakPolarHBondContact O-CG2 3.25Å; I556-V560 PolarHBondContact O-N 3.28Å
557	E	97.5	Very high	97.7	Very high	86 Å²	86	32.8 Å²	32.8	40%	0.402	17%	0.171	S	C	.	.	H	α-helix	trans	-62.1	-49.6	-177.8	-69.3	173.9	-172.6	0	0	111.4	T225 R229 M553 E554 G559 V560 E561	T225-E557 HydrophobicContact CG2-CG 4.37Å; R229-E557 IonicContact CZ-OE1 3.66Å; R229-E557 IonicContact NE-OE1 3.36Å; R229-E557 IonicContact NH1-OE1 3.48Å; R229-E557 PolarHBondContact NH1-OE1 2.88Å; M553-E557 PolarHBondContact O-N 2.8Å; E554-E557 PolarHBondContact O-N 3.08Å; E557-G559 PolarHBondContact O-N 2.74Å; E557-V560 PolarHBondContact O-N 2.79Å; E557-E561 PolarHBondContact O-N 3.24Å
558	A	97.9	Very high	97.8	Very high	22 Å²	22	37.5 Å²	37.5	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-36.6	175.9	0	0	0	0	0	112.5	E554 A562	E554-A558 PolarHBondContact O-N 2.92Å; A558-A562 VanDerWaalsContact O-CB 3.26Å; A558-A562 WeakPolarHBondContact O-CB 3.44Å; A558-A562 PolarHBondContact O-N 2.9Å
559	G	98.2	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-44.5	176.6	0	0	0	0	0	114	V496 A555 I556 E557 N563	V496-G559 WeakPolarHBondContact CG1-O 3.35Å; A555-G559 PolarHBondContact O-N 2.86Å; I556-G559 PolarHBondContact O-N 2.78Å; E557-G559 PolarHBondContact O-N 2.74Å; G559-N563 WeakPolarHBondContact O-CB 3.47Å; G559-N563 PolarHBondContact O-N 3.49Å; G559-N563 PolarHBondContact O-ND2 3.04Å
560	V	98.2	Very high	98	Very high	22 Å²	22	36.9 Å²	36.9	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-46	177.9	172.4	0	0	0	0	110.7	I527 V534 I556 E557 A562 N563 D564	I527-V560 HydrophobicContact CD1-CG2 4.03Å; V534-V560 HydrophobicContact CG2-CG2 4.03Å; I556-V560 WeakPolarHBondContact O-CG2 3.25Å; I556-V560 PolarHBondContact O-N 3.28Å; E557-V560 PolarHBondContact O-N 2.79Å; V560-A562 PolarHBondContact O-N 3.35Å; V560-N563 WeakPolarHBondContact O-CB 3.43Å; V560-N563 PolarHBondContact O-N 3.07Å; V560-N563 VanDerWaalsContact O-N 3.14Å; V560-D564 PolarHBondContact O-N 3.29Å
561	E	98	Very high	98	Very high	127 Å²	127	36.8 Å²	36.8	59%	0.593	19%	0.191	S	C	*	.	H	α-helix	trans	-60.2	-44.4	177.9	-174.5	-173.5	165.6	0	0	112	E557 N563 D564 R565	E557-E561 PolarHBondContact O-N 3.24Å; E561-N563 VanDerWaalsContact C-N 3.31Å; E561-N563 PolarHBondContact O-N 2.82Å; E561-D564 PolarHBondContact O-N 3.13Å; E561-R565 PolarHBondContact O-N 2.97Å
562	A	98.4	Very high	98	Very high	2 Å²	2	41 Å²	41	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-37.6	176.5	0	0	0	0	0	112.2	L354 V496 V511 A558 V560 R565 I566	L354-A562 HydrophobicContact CD2-CB 4.36Å; V496-A562 HydrophobicContact CB-CB 4.45Å; V496-A562 HydrophobicContact CG1-CB 4.08Å; V496-A562 HydrophobicContact CG2-CB 4.17Å; V511-A562 HydrophobicContact CG1-CB 3.48Å; V511-A562 VanDerWaalsContact CG1-CB 3.48Å; A558-A562 VanDerWaalsContact O-CB 3.26Å; A558-A562 WeakPolarHBondContact O-CB 3.44Å; A558-A562 PolarHBondContact O-N 2.9Å; V560-A562 PolarHBondContact O-N 3.35Å; A562-R565 WeakPolarHBondContact O-CB 3.35Å; A562-R565 PolarHBondContact O-N 2.92Å; A562-I566 WeakPolarHBondContact O-CD1 3.31Å; A562-I566 VanDerWaalsContact O-CG1 3.28Å; A562-I566 WeakPolarHBondContact O-CG1 3.38Å; A562-I566 PolarHBondContact O-N 2.88Å
563	N	98.5	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-40.3	174.8	-83.9	-26	0	0	0	112.4	S494 G495 V496 I527 S529 G559 V560 E561 R565 I566 L567	S494-N563 VanDerWaalsContact OG-CA 3.31Å; S494-N563 WeakPolarHBondContact OG-CA 3.42Å; S494-N563 WeakPolarHBondContact OG-CB 3.45Å; S494-N563 VanDerWaalsContact OG-CG 3.27Å; S494-N563 PolarHBondContact OG-O 2.94Å; S494-N563 VanDerWaalsContact OG-O 3.07Å; S494-N563 PolarHBondContact OG-OD1 3.23Å; S494-N563 VanDerWaalsContact OG-OD1 3.07Å; G495-N563 VanDerWaalsContact CA-OD1 3.25Å; G495-N563 WeakPolarHBondContact CA-OD1 3.39Å; G495-N563 PolarHBondContact N-OD1 3.46Å; V496-N563 PolarHBondContact N-OD1 3.27Å; I527-N563 PolarHBondContact O-ND2 3.42Å; S529-N563 PolarHBondContact N-ND2 3.03Å; S529-N563 WeakPolarHBondContact OG-CB 3.3Å; S529-N563 PolarHBondContact OG-ND2 3.33Å; G559-N563 WeakPolarHBondContact O-CB 3.47Å; G559-N563 PolarHBondContact O-N 3.49Å; G559-N563 PolarHBondContact O-ND2 3.04Å; V560-N563 WeakPolarHBondContact O-CB 3.43Å; V560-N563 PolarHBondContact O-N 3.07Å; V560-N563 VanDerWaalsContact O-N 3.14Å; E561-N563 VanDerWaalsContact C-N 3.31Å; E561-N563 PolarHBondContact O-N 2.82Å; N563-R565 VanDerWaalsContact C-N 3.27Å; N563-R565 PolarHBondContact O-N 3.19Å; N563-I566 PolarHBondContact O-N 3.45Å; N563-I566 VanDerWaalsContact O-N 3.08Å; N563-L567 WeakPolarHBondContact O-CG 3.5Å; N563-L567 PolarHBondContact O-N 3.27Å
564	D	98.2	Very high	98.1	Very high	71 Å²	71	42.9 Å²	42.9	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-38.5	176	-73.3	-24.2	0	0	0	112.3	V560 E561 T568	V560-D564 PolarHBondContact O-N 3.29Å; E561-D564 PolarHBondContact O-N 3.13Å; D564-T568 PolarHBondContact O-N 3.36Å; D564-T568 VanDerWaalsContact O-N 3.12Å; D564-T568 PolarHBondContact O-OG1 3.47Å
565	R	98.2	Very high	98	Very high	99 Å²	99	42.6 Å²	42.6	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-43.4	172.7	-68.2	168.4	56.1	-169.2	-1.8	111.8	D352 L354 E561 A562 N563 T568 I569	D352-R565 PolarHBondContact O-NH1 3.47Å; L354-R565 HydrophobicContact CD1-CB 3.86Å; E561-R565 PolarHBondContact O-N 2.97Å; A562-R565 WeakPolarHBondContact O-CB 3.35Å; A562-R565 PolarHBondContact O-N 2.92Å; N563-R565 VanDerWaalsContact C-N 3.27Å; N563-R565 PolarHBondContact O-N 3.19Å; R565-T568 WeakPolarHBondContact O-CB 3.42Å; R565-T568 PolarHBondContact O-N 3.07Å; R565-I569 PolarHBondContact O-N 3.46Å
566	I	98.6	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-43.2	178.1	-64.9	157.9	0	0	0	111	L354 I357 F373 V496 A562 N563 T568 I569 M570	L354-I566 HydrophobicContact CD1-CG1 3.86Å; L354-I566 HydrophobicContact CD2-CD1 4.15Å; L354-I566 HydrophobicContact CD2-CG1 4.25Å; I357-I566 HydrophobicContact CD1-CB 4.47Å; I357-I566 HydrophobicContact CD1-CG1 3.83Å; I357-I566 HydrophobicContact CD1-CG2 4.24Å; F373-I566 HydrophobicContact CE2-CG2 4.22Å; F373-I566 HydrophobicContact CZ-CG2 4.07Å; V496-I566 HydrophobicContact CB-CD1 3.88Å; V496-I566 HydrophobicContact CG2-CD1 4.15Å; A562-I566 WeakPolarHBondContact O-CD1 3.31Å; A562-I566 VanDerWaalsContact O-CG1 3.28Å; A562-I566 WeakPolarHBondContact O-CG1 3.38Å; A562-I566 PolarHBondContact O-N 2.88Å; N563-I566 PolarHBondContact O-N 3.45Å; N563-I566 VanDerWaalsContact O-N 3.08Å; I566-T568 PolarHBondContact O-N 2.6Å; I566-I569 PolarHBondContact O-N 3.23Å; I566-I569 VanDerWaalsContact O-N 3.1Å; I566-M570 HydrophobicContact CG2-CG 4.28Å; I566-M570 HydrophobicContact CG2-SD 3.82Å; I566-M570 WeakPolarHBondContact O-CG 3.25Å; I566-M570 PolarHBondContact O-N 3.29Å
567	L	98.3	Very high	97.9	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-38.5	175.7	-76.1	172.1	0	0	0	111.8	P492 K531 N563 I569 M570 S571	P492-L567 HydrophobicContact CB-CD2 4Å; P492-L567 HydrophobicContact CG-CD2 4.18Å; K531-L567 HydrophobicContact CG-CD1 4.36Å; N563-L567 WeakPolarHBondContact O-CG 3.5Å; N563-L567 PolarHBondContact O-N 3.27Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 PolarHBondContact O-N 2.73Å; L567-M570 HydrophobicContact CD2-SD 4.37Å; L567-M570 PolarHBondContact O-N 2.82Å; L567-S571 VanDerWaalsContact O-CB 3.31Å; L567-S571 WeakPolarHBondContact O-CB 3.34Å; L567-S571 PolarHBondContact O-N 3.36Å
568	T	98	Very high	97.8	Very high	100 Å²	100	47.9 Å²	47.9	61%	0.613	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-42.3	176	-58	0	0	0	0	111.4	D564 R565 I566 S571 S572	D564-T568 PolarHBondContact O-N 3.36Å; D564-T568 VanDerWaalsContact O-N 3.12Å; D564-T568 PolarHBondContact O-OG1 3.47Å; R565-T568 WeakPolarHBondContact O-CB 3.42Å; R565-T568 PolarHBondContact O-N 3.07Å; I566-T568 PolarHBondContact O-N 2.6Å; T568-S571 PolarHBondContact O-N 3.29Å; T568-S572 PolarHBondContact O-N 3.07Å
569	I	98.3	Very high	97.7	Very high	60 Å²	60	53.7 Å²	53.7	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-42.1	176.4	-61.1	162.8	0	0	0	111.3	I357 R565 I566 L567 S571 S572	I357-I569 HydrophobicContact CB-CD1 4.33Å; I357-I569 HydrophobicContact CB-CG2 4.02Å; I357-I569 HydrophobicContact CD1-CD1 3.98Å; I357-I569 HydrophobicContact CG2-CG2 3.74Å; R565-I569 PolarHBondContact O-N 3.46Å; I566-I569 PolarHBondContact O-N 3.23Å; I566-I569 VanDerWaalsContact O-N 3.1Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 PolarHBondContact O-N 2.73Å; I569-S571 VanDerWaalsContact C-N 3.26Å; I569-S571 PolarHBondContact O-N 2.64Å; I569-S572 PolarHBondContact O-N 2.66Å; I569-S572 PolarHBondContact O-OG 3.07Å
570	M	98.5	Very high	97.3	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-39.8	175.3	-69.8	166.4	59.4	0	0	111.5	F373 C476 M480 I566 L567 S572 C573 I574	F373-M570 HydrophobicContact CE2-CG 4.09Å; F373-M570 HydrophobicContact CE2-SD 4.47Å; C476-M570 HydrophobicContact CB-CE 4.22Å; C476-M570 HydrophobicContact CB-SD 3.86Å; C476-M570 WeakPolarHBondContact O-CE 3.23Å; M480-M570 HydrophobicContact CG-CE 3.85Å; M480-M570 HydrophobicContact SD-CB 4.19Å; M480-M570 HydrophobicContact SD-CG 4.1Å; I566-M570 HydrophobicContact CG2-CG 4.28Å; I566-M570 HydrophobicContact CG2-SD 3.82Å; I566-M570 WeakPolarHBondContact O-CG 3.25Å; I566-M570 PolarHBondContact O-N 3.29Å; L567-M570 HydrophobicContact CD2-SD 4.37Å; L567-M570 PolarHBondContact O-N 2.82Å; M570-S572 PolarHBondContact O-N 3.46Å; M570-C573 WeakPolarHBondContact O-CB 3.48Å; M570-C573 PolarHBondContact O-N 3.14Å; M570-I574 PolarHBondContact O-N 3.42Å
571	S	97.8	Very high	97	Very high	58 Å²	58	57.5 Å²	57.5	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-22	-179.6	-172.1	0	0	0	0	113.5	L567 T568 I569 C573	L567-S571 VanDerWaalsContact O-CB 3.31Å; L567-S571 WeakPolarHBondContact O-CB 3.34Å; L567-S571 PolarHBondContact O-N 3.36Å; T568-S571 PolarHBondContact O-N 3.29Å; I569-S571 VanDerWaalsContact C-N 3.26Å; I569-S571 PolarHBondContact O-N 2.64Å; S571-C573 VanDerWaalsContact C-N 3.28Å
572	S	97.3	Very high	96.8	Very high	105 Å²	105	52.4 Å²	52.4	73%	0.734	32%	0.323	S	S	*	.	H	α-helix	trans	-75.3	-18.1	173.2	68.1	0	0	0	0	112.9	T568 I569 M570	T568-S572 PolarHBondContact O-N 3.07Å; I569-S572 PolarHBondContact O-N 2.66Å; I569-S572 PolarHBondContact O-OG 3.07Å; M570-S572 PolarHBondContact O-N 3.46Å
573	C	97.5	Very high	96.3	Very high	42 Å²	42	58.8 Å²	58.8	28%	0.284	36%	0.364	S	S	.	.	H	α-helix	trans	-91.7	-49.7	173.8	-174.7	0	0	0	0	111.4	C359 M570 S571	C359-C573 VanDerWaalsContact C-SG 3.55Å; C359-C573 HydrophobicContact CB-CB 3.61Å; C359-C573 PolarHBondContact O-SG 3.06Å; M570-C573 WeakPolarHBondContact O-CB 3.48Å; M570-C573 PolarHBondContact O-N 3.14Å; S571-C573 VanDerWaalsContact C-N 3.28Å
574	I	97.8	Very high	95.9	Very high	20 Å²	20	60.8 Å²	60.8	10%	0.103	38%	0.375	C	S	.	.			trans	-146.9	109.5	177	-178.1	160.6	0	0	0	110.3	V361 M480 M483 D484 M570 A576	V361-I574 HydrophobicContact CG1-CB 4.33Å; V361-I574 HydrophobicContact CG1-CG2 3.79Å; V361-I574 HydrophobicContact CG2-CB 4.49Å; M480-I574 HydrophobicContact CB-CG2 3.94Å; M480-I574 HydrophobicContact CG-CG2 3.77Å; M480-I574 HydrophobicContact SD-CG2 4.25Å; M483-I574 HydrophobicContact CB-CD1 3.58Å; M483-I574 HydrophobicContact CB-CG1 4.01Å; M483-I574 HydrophobicContact CE-CG2 3.72Å; D484-I574 HydrophobicContact CB-CD1 4.15Å; M570-I574 PolarHBondContact O-N 3.42Å; I574-A576 WeakPolarHBondContact CG1-O 3.29Å
575	A	96.1	Very high	95.4	Very high	70 Å²	70	57.7 Å²	57.7	58%	0.579	36%	0.36	S	S	*	.	S	Bend	trans	-82.6	-27.6	-173.2	0	0	0	0	0	114.1
576	A	96.7	Very high	95.2	Very high	60 Å²	60	53.3 Å²	53.3	50%	0.496	34%	0.344	S	S	.	.	S	Bend	trans	-151	159.2	-177.5	0	0	0	0	0	110.6	I574	I574-A576 WeakPolarHBondContact CG1-O 3.29Å
577	P	97.7	Very high	94.9	Very high	41 Å²	41	55.2 Å²	55.2	27%	0.266	36%	0.355	S	S	.	.			trans	-52.1	145.3	169.1	-23.7	32	0	0	0	112.4	M483 V487 I489	M483-P577 HydrophobicContact CG-CG 4.05Å; V487-P577 WeakPolarHBondContact O-CB 3.27Å; I489-P577 HydrophobicContact CG1-CG 4.02Å
578	R	96.6	Very high	94.6	Very high	97 Å²	97	58.6 Å²	58.6	37%	0.366	37%	0.371	S	S	.	.			trans	-58.9	147.1	169.8	-63.1	-168.5	-174.1	-99.4	7.2	109.9	D362 M483 D484 G580	D362-R578 VanDerWaalsContact CB-NH2 3.35Å; D362-R578 VanDerWaalsContact CG-NH2 3.32Å; D362-R578 IonicContact OD2-CZ 3.48Å; D362-R578 IonicContact OD2-NH2 3.45Å; D362-R578 PolarHBondContact OD2-NH2 3.31Å; M483-R578 PolarHBondContact O-N 2.92Å; D484-R578 WeakPolarHBondContact O-CD 3.48Å; D484-R578 PolarHBondContact O-NE 3.18Å; D484-R578 VanDerWaalsContact O-NE 3.09Å; D484-R578 IonicContact OD1-CZ 2.87Å; D484-R578 VanDerWaalsContact OD1-CZ 3.25Å; D484-R578 IonicContact OD1-NE 3.05Å; D484-R578 PolarHBondContact OD1-NE 2.84Å; D484-R578 IonicContact OD1-NH2 3.52Å; D484-R578 PolarHBondContact OD1-NH2 3.48Å; R578-G580 PolarHBondContact O-N 2.72Å
579	S	93.9	Very high	94.3	Very high	143 Å²	143	57.1 Å²	57.1	100%	1	36%	0.357	S	S	*	.	S	Bend	trans	-64	-13.8	-176.4	58	0	0	0	0	114.5
580	G	91.3	Very high	94.1	Very high	36 Å²	36	58.3 Å²	58.3	37%	0.371	37%	0.368	S	S	.	.	S	Bend	trans	-165.2	176.3	176.2	0	0	0	0	0	111	R578	R578-G580 PolarHBondContact O-N 2.72Å
581	L	92.2	Very high	93.8	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.346	38%	0.375	S	S	.	.			trans	-65.8	150.2	177.6	-54.4	171.4	0	0	0	110.5	F386 F453 F455	F386-L581 HydrophobicContact CD2-CD2 4.42Å; F386-L581 HydrophobicContact CE2-CD2 3.7Å; F386-L581 HydrophobicContact CZ-CD2 4.05Å; F453-L581 HydrophobicContact CZ-CD2 4.02Å; F455-L581 HydrophobicContact CD2-CD1 4.2Å; F455-L581 HydrophobicContact CE2-CD1 3.47Å; F455-L581 VanDerWaalsContact CE2-CD1 3.47Å; F455-L581 HydrophobicContact CZ-CD1 4.32Å
582	K	92.1	Very high	93.5	Very high	21 Å²	21	64.2 Å²	64.2	9%	0.091	39%	0.39	C	S	.	.			trans	-63	154.9	172.7	-61.6	-167.7	-170.1	-177.2	0	111.1	D362 H368 D484 N584 G585	D362-K582 IonicContact OD1-NZ 2.99Å; D362-K582 PolarHBondContact OD1-NZ 3.02Å; H368-K582 WeakPolarHBondContact O-CD 3.4Å; H368-K582 VanDerWaalsContact O-CE 3.22Å; H368-K582 WeakPolarHBondContact O-CE 3.41Å; H368-K582 WeakPolarHBondContact O-CG 3.41Å; D484-K582 VanDerWaalsContact CG-NZ 3.31Å; D484-K582 WeakPolarHBondContact O-CE 3.42Å; D484-K582 WeakPolarHBondContact OD1-CE 3.26Å; D484-K582 IonicContact OD1-NZ 3.56Å; D484-K582 PolarHBondContact OD1-NZ 2.9Å; D484-K582 WeakPolarHBondContact OD2-CE 3.24Å; D484-K582 IonicContact OD2-NZ 2.75Å; D484-K582 PolarHBondContact OD2-NZ 3.24Å; K582-N584 WeakPolarHBondContact CB-OD1 3.09Å; K582-N584 PolarHBondContact O-N 2.77Å; K582-G585 PolarHBondContact O-N 3.3Å
583	P	89.5	Confident	93.1	Very high	136 Å²	136	59.4 Å²	59.4	88%	0.883	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.2	-176.7	-25.8	34.9	0	0	0	115.7	G585	P583-G585 VanDerWaalsContact C-N 3.34Å
584	N	88.7	Confident	92.4	Very high	42 Å²	42	59.5 Å²	59.5	23%	0.225	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.6	176.3	61.1	-47	0	0	0	113.6	K365 P366 L367 H368 K582	K365-N584 PolarHBondContact O-ND2 3.1Å; K365-N584 VanDerWaalsContact O-ND2 3.08Å; P366-N584 PolarHBondContact O-ND2 3.15Å; L367-N584 PolarHBondContact O-ND2 2.95Å; H368-N584 PolarHBondContact CD2-O 2.78Å; H368-N584 PolarHBondContact NE2-O 2.72Å; K582-N584 WeakPolarHBondContact CB-OD1 3.09Å; K582-N584 PolarHBondContact O-N 2.77Å
585	G	88.1	Confident	91.6	Very high	6 Å²	6	62.1 Å²	62.1	6%	0.062	38%	0.378	C	S	.	.	S	Bend	trans	-67.4	162.5	177.1	0	0	0	0	0	113.1	K582 P583	K582-G585 PolarHBondContact O-N 3.3Å; P583-G585 VanDerWaalsContact C-N 3.34Å
586	P	93	Very high	90.7	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.039	36%	0.364	C	S	.	.			trans	-69	162.2	175.9	31.1	-35.4	0	0	0	111.6	F386 F455 F631 A632	F386-P586 HydrophobicContact CB-CG 3.58Å; F386-P586 HydrophobicContact CG-CG 4.49Å; F455-P586 HydrophobicContact CD1-CB 4.5Å; F455-P586 HydrophobicContact CD1-CG 3.85Å; F455-P586 HydrophobicContact CD2-CG 4.4Å; F455-P586 HydrophobicContact CE1-CB 4.12Å; F455-P586 HydrophobicContact CE1-CG 3.76Å; F455-P586 HydrophobicContact CE2-CG 4.35Å; F455-P586 HydrophobicContact CG-CG 4.16Å; F455-P586 HydrophobicContact CZ-CG 4.03Å; P586-F631 HydrophobicContact CB-CD2 4.4Å; P586-F631 HydrophobicContact CB-CE2 3.4Å; P586-F631 HydrophobicContact CB-CZ 3.54Å; P586-F631 HydrophobicContact CG-CE2 3.92Å; P586-F631 HydrophobicContact CG-CZ 4.21Å; P586-A632 CarbonylContact C-O 3.59Å; P586-A632 VanDerWaalsContact CA-O 3.26Å; P586-A632 WeakPolarHBondContact CA-O 3.28Å; P586-A632 VanDerWaalsContact CB-O 3.24Å; P586-A632 WeakPolarHBondContact CB-O 3.45Å
587	V	92.5	Very high	90	Very high	40 Å²	40	59.7 Å²	59.7	24%	0.242	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	177.9	-173.8	0	0	0	0	108.2	E589 A632 R635 M638	V587-E589 HydrophobicContact CG1-CG 4.11Å; V587-A632 PolarHBondContact N-O 3.08Å; V587-A632 PolarHBondContact O-N 2.58Å; V587-R635 HydrophobicContact CG2-CB 4.22Å; V587-M638 HydrophobicContact CB-CE 4.11Å; V587-M638 HydrophobicContact CG1-CE 4.09Å; V587-M638 HydrophobicContact CG1-CG 4.42Å; V587-M638 WeakPolarHBondContact O-CE 3.2Å
588	E	92.1	Very high	89.3	Confident	79 Å²	79	60.9 Å²	60.9	37%	0.369	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131	171	-173.4	176.4	-159.7	0	0	108.9	F455 S629 V630	F455-E588 HydrophobicContact CE1-CB 4.09Å; F455-E588 HydrophobicContact CZ-CB 4.4Å; E588-S629 WeakPolarHBondContact CG-OG 3.34Å; E588-S629 PolarHBondContact OE1-OG 2.81Å; E588-V630 WeakPolarHBondContact CA-O 3.34Å
589	E	92.6	Very high	88.7	Confident	70 Å²	70	60.1 Å²	60.1	33%	0.327	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.6	176.6	-68	-160.9	-145.8	0	0	111.2	V587 V630 M638 K642	V587-E589 HydrophobicContact CG1-CG 4.11Å; E589-V630 PolarHBondContact N-O 2.93Å; E589-V630 PolarHBondContact O-N 2.86Å; E589-M638 HydrophobicContact CB-CE 4.27Å; E589-M638 HydrophobicContact CB-SD 4.39Å; E589-M638 HydrophobicContact CG-CE 4.17Å; E589-M638 HydrophobicContact CG-SD 4.36Å; E589-K642 VanDerWaalsContact OE1-CE 3.31Å; E589-K642 WeakPolarHBondContact OE1-CE 3.25Å; E589-K642 IonicContact OE1-NZ 3.65Å; E589-K642 PolarHBondContact OE1-NZ 3.33Å; E589-K642 WeakPolarHBondContact OE2-CE 3.46Å; E589-K642 IonicContact OE2-NZ 2.83Å; E589-K642 PolarHBondContact OE2-NZ 2.79Å
590	T	93	Very high	88.2	Confident	85 Å²	85	56 Å²	56	52%	0.521	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.4	174.2	-56.4	0	0	0	0	109.6	I623 R627 Y628	T590-I623 HydrophobicContact CG2-CD1 4.27Å; T590-R627 HydrophobicContact CG2-CB 4.13Å; T590-R627 HydrophobicContact CG2-CG 4.26Å; T590-Y628 CarbonylContact C-O 3.38Å; T590-Y628 WeakPolarHBondContact CA-O 3.45Å
591	L	92.6	Very high	88	Confident	33 Å²	33	54.3 Å²	54.3	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.4	175.3	-179.8	67.6	0	0	0	110	V593 F601 R627 Y628 V630 L645 L649	L591-V593 HydrophobicContact CD2-CG2 4.06Å; L591-V593 HydrophobicContact CG-CG2 4.01Å; L591-F601 HydrophobicContact CD2-CE2 3.58Å; L591-F601 HydrophobicContact CD2-CZ 3.85Å; L591-R627 WeakPolarHBondContact O-CA 3.22Å; L591-Y628 PolarHBondContact N-O 2.54Å; L591-Y628 PolarHBondContact O-N 2.71Å; L591-V630 HydrophobicContact CB-CG2 4.08Å; L591-V630 HydrophobicContact CD2-CG2 4.41Å; L591-L645 HydrophobicContact CD2-CD1 4.2Å; L591-L645 HydrophobicContact CD2-CD2 4.37Å; L591-L649 HydrophobicContact CD1-CD1 3.83Å; L591-L649 HydrophobicContact CD2-CD1 4.01Å; L591-L649 HydrophobicContact CG-CD1 4.21Å
592	E	91.3	Very high	87.9	Confident	151 Å²	151	53.7 Å²	53.7	71%	0.706	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.2	170.8	-80.9	-178.2	-173.6	0	0	110.9	A626 R627	E592-A626 CarbonylContact C-O 3.44Å; E592-A626 WeakPolarHBondContact CA-O 3.35Å; E592-R627 HydrophobicContact CG-CG 3.78Å
593	V	88.6	Confident	87.6	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	31%	0.305	C	S	.	.			trans	-117.6	114.5	-179.3	-179.3	0	0	0	0	108.8	L591 K597 F601 A626 Y628 L649	L591-V593 HydrophobicContact CD2-CG2 4.06Å; L591-V593 HydrophobicContact CG-CG2 4.01Å; V593-K597 HydrophobicContact CG1-CB 4.29Å; V593-F601 HydrophobicContact CG1-CB 3.97Å; V593-F601 HydrophobicContact CG1-CD1 4.21Å; V593-F601 HydrophobicContact CG1-CG 4Å; V593-F601 HydrophobicContact CG2-CD1 4.11Å; V593-F601 HydrophobicContact CG2-CD2 4.04Å; V593-F601 HydrophobicContact CG2-CE1 4.03Å; V593-F601 HydrophobicContact CG2-CE2 3.95Å; V593-F601 HydrophobicContact CG2-CG 4.1Å; V593-F601 HydrophobicContact CG2-CZ 3.95Å; V593-A626 PolarHBondContact N-O 2.74Å; V593-Y628 HydrophobicContact CB-CD2 4.16Å; V593-Y628 HydrophobicContact CB-CE2 4.02Å; V593-Y628 HydrophobicContact CG2-CD2 3.7Å; V593-Y628 HydrophobicContact CG2-CE2 3.96Å; V593-L649 HydrophobicContact CG1-CD2 3.85Å; V593-L649 HydrophobicContact CG2-CD1 4.31Å; V593-L649 HydrophobicContact CG2-CD2 4.18Å
594	A	84.6	Confident	87.5	Confident	45 Å²	45	51.2 Å²	51.2	37%	0.372	29%	0.292	S	S	.	.			trans	-57.2	141.8	175.5	0	0	0	0	0	111.1	S596 K597 R598	A594-S596 PolarHBondContact O-N 3.37Å; A594-S596 VanDerWaalsContact O-N 3.1Å; A594-K597 HydrophobicContact CB-CG 4.43Å; A594-K597 PolarHBondContact O-N 2.84Å; A594-R598 PolarHBondContact O-N 3.17Å
595	P	80.7	Confident	87.4	Confident	75 Å²	75	52.8 Å²	52.8	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-53.1	-36.1	-179.3	-28.5	34.8	0	0	0	114	K597 R598	P595-K597 VanDerWaalsContact C-N 3.26Å; P595-K597 PolarHBondContact O-N 3.01Å; P595-R598 WeakPolarHBondContact O-CB 3.47Å; P595-R598 PolarHBondContact O-N 2.98Å
596	S	77	Confident	87.4	Confident	40 Å²	40	53.4 Å²	53.4	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-29.8	176.9	54.7	0	0	0	0	113.7	A594 R719	A594-S596 PolarHBondContact O-N 3.37Å; A594-S596 VanDerWaalsContact O-N 3.1Å; S596-R719 VanDerWaalsContact CB-CD 3.5Å
597	K	82.2	Confident	87.4	Confident	39 Å²	39	57.6 Å²	57.6	17%	0.17	35%	0.345	C	S	.	.	H	α-helix	trans	-93.2	-14.7	-177.2	-61.5	-176.3	178.7	-174.3	0	112.6	V593 A594 P595 A599 R600 F601 L649 D651	V593-K597 HydrophobicContact CG1-CB 4.29Å; A594-K597 HydrophobicContact CB-CG 4.43Å; A594-K597 PolarHBondContact O-N 2.84Å; P595-K597 VanDerWaalsContact C-N 3.26Å; P595-K597 PolarHBondContact O-N 3.01Å; K597-A599 PolarHBondContact O-N 3.06Å; K597-R600 PolarHBondContact O-N 3.34Å; K597-R600 VanDerWaalsContact O-N 3.1Å; K597-F601 WeakPolarHBondContact O-CB 2.95Å; K597-F601 PolarHBondContact O-N 3.24Å; K597-L649 HydrophobicContact CB-CD2 4.08Å; K597-L649 HydrophobicContact CD-CD2 4.31Å; K597-L649 WeakPolarHBondContact CD-O 3.1Å; K597-L649 WeakPolarHBondContact CE-O 3.47Å; K597-L649 PolarHBondContact NZ-O 3.19Å; K597-D651 VanDerWaalsContact CE-OD1 3.31Å; K597-D651 WeakPolarHBondContact CE-OD1 3.38Å; K597-D651 IonicContact NZ-OD1 3.3Å; K597-D651 PolarHBondContact NZ-OD1 3.36Å
598	R	83.2	Confident	87.4	Confident	65 Å²	65	57.9 Å²	57.9	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-55.6	-44.1	-174	-168.3	-173	-60.6	149.2	7.6	113.4	A594 P595 R600 F601 L602 D625	A594-R598 PolarHBondContact O-N 3.17Å; P595-R598 WeakPolarHBondContact O-CB 3.47Å; P595-R598 PolarHBondContact O-N 2.98Å; R598-R600 VanDerWaalsContact C-N 3.31Å; R598-R600 PolarHBondContact O-N 3.42Å; R598-F601 PolarHBondContact O-N 3.3Å; R598-L602 HydrophobicContact CG-CD1 3.98Å; R598-L602 HydrophobicContact CG-CG 4.44Å; R598-L602 WeakPolarHBondContact O-CG 3.31Å; R598-L602 PolarHBondContact O-N 2.91Å; R598-D625 PolarHBondContact NE-O 3.11Å; R598-D625 PolarHBondContact NH2-O 3.47Å
599	A	82.5	Confident	87.3	Confident	82 Å²	82	54.9 Å²	54.9	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-61.8	-40.2	-179.7	0	0	0	0	0	112	K597 G603	K597-A599 PolarHBondContact O-N 3.06Å; A599-G603 PolarHBondContact O-N 3.45Å
600	R	83.4	Confident	87.3	Confident	56 Å²	56	58.1 Å²	58.1	21%	0.211	34%	0.342	C	S	.	.	H	α-helix	trans	-74.1	-41.1	176.8	-171	-178.4	67.2	-171.2	-3.3	111.7	K597 R598 L602 G603 H608 L648 L649 E650 N652	K597-R600 PolarHBondContact O-N 3.34Å; K597-R600 VanDerWaalsContact O-N 3.1Å; R598-R600 VanDerWaalsContact C-N 3.31Å; R598-R600 PolarHBondContact O-N 3.42Å; R600-L602 PolarHBondContact O-N 2.77Å; R600-G603 PolarHBondContact O-N 2.75Å; R600-H608 PolarHBondContact O-ND1 3.33Å; R600-L648 PolarHBondContact NE-O 3.3Å; R600-L648 PolarHBondContact NH2-O 2.91Å; R600-L649 VanDerWaalsContact NH2-CA 3.29Å; R600-L649 PolarHBondContact NH2-O 3.3Å; R600-E650 PolarHBondContact NH1-O 3.45Å; R600-E650 PolarHBondContact NH2-O 3.16Å; R600-N652 PolarHBondContact NH1-ND2 2.96Å; R600-N652 VanDerWaalsContact NH1-ND2 3.18Å; R600-N652 PolarHBondContact NH1-OD1 2.87Å
601	F	88.4	Confident	87.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-47.1	176.8	174.1	-105.5	0	0	0	112.1	L591 V593 K597 R598 H608 L609 I620 Y628 L645 L649	L591-F601 HydrophobicContact CD2-CE2 3.58Å; L591-F601 HydrophobicContact CD2-CZ 3.85Å; V593-F601 HydrophobicContact CG1-CB 3.97Å; V593-F601 HydrophobicContact CG1-CD1 4.21Å; V593-F601 HydrophobicContact CG1-CG 4Å; V593-F601 HydrophobicContact CG2-CD1 4.11Å; V593-F601 HydrophobicContact CG2-CD2 4.04Å; V593-F601 HydrophobicContact CG2-CE1 4.03Å; V593-F601 HydrophobicContact CG2-CE2 3.95Å; V593-F601 HydrophobicContact CG2-CG 4.1Å; V593-F601 HydrophobicContact CG2-CZ 3.95Å; K597-F601 WeakPolarHBondContact O-CB 2.95Å; K597-F601 PolarHBondContact O-N 3.24Å; R598-F601 PolarHBondContact O-N 3.3Å; F601-H608 WeakPolarHBondContact O-CB 3.28Å; F601-L609 HydrophobicContact CD1-CD2 4.1Å; F601-L609 HydrophobicContact CD2-CD2 4.22Å; F601-L609 HydrophobicContact CE1-CD1 3.93Å; F601-L609 HydrophobicContact CE1-CD2 3.6Å; F601-L609 HydrophobicContact CE1-CG 4.28Å; F601-L609 HydrophobicContact CE2-CD2 3.75Å; F601-L609 HydrophobicContact CG-CD2 4.39Å; F601-L609 HydrophobicContact CZ-CD1 4.42Å; F601-L609 HydrophobicContact CZ-CD2 3.41Å; F601-L609 VanDerWaalsContact CZ-CD2 3.41Å; F601-I620 HydrophobicContact CZ-CG2 4.37Å; F601-Y628 HydrophobicContact CD1-CE1 4.5Å; F601-Y628 HydrophobicContact CD1-CE2 4.06Å; F601-Y628 AromaticContact CE1-CD1 3.8Å; F601-Y628 HydrophobicContact CE1-CD1 3.8Å; F601-Y628 AromaticContact CE1-CD2 3.7Å; F601-Y628 HydrophobicContact CE1-CD2 3.7Å; F601-Y628 AromaticContact CE1-CE1 3.73Å; F601-Y628 HydrophobicContact CE1-CE1 3.73Å; F601-Y628 AromaticContact CE1-CE2 3.62Å; F601-Y628 HydrophobicContact CE1-CE2 3.62Å; F601-Y628 AromaticContact CE1-CG 3.8Å; F601-Y628 HydrophobicContact CE1-CG 3.8Å; F601-Y628 AromaticContact CE1-CZ 3.64Å; F601-Y628 HydrophobicContact CZ-CD1 4.33Å; F601-Y628 HydrophobicContact CZ-CD2 4.13Å; F601-Y628 HydrophobicContact CZ-CE2 4.47Å; F601-Y628 HydrophobicContact CZ-CG 4.06Å; F601-L645 HydrophobicContact CE2-CD2 3.7Å; F601-L645 HydrophobicContact CZ-CD2 4.42Å; F601-L649 HydrophobicContact CB-CD2 4.15Å; F601-L649 HydrophobicContact CD2-CD1 4.46Å; F601-L649 HydrophobicContact CD2-CD2 3.85Å; F601-L649 HydrophobicContact CD2-CG 4.18Å; F601-L649 HydrophobicContact CG-CD2 4.32Å
602	L	88.8	Confident	87.4	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.277	33%	0.333	S	S	.	.	H	α-helix	trans	-72.3	-44	176.5	-66.8	171.6	0	0	0	111.7	R598 R600 G606 M607 H608 L609 Y628	R598-L602 HydrophobicContact CG-CD1 3.98Å; R598-L602 HydrophobicContact CG-CG 4.44Å; R598-L602 WeakPolarHBondContact O-CG 3.31Å; R598-L602 PolarHBondContact O-N 2.91Å; R600-L602 PolarHBondContact O-N 2.77Å; L602-G606 CarbonylContact O-C 3.53Å; L602-G606 WeakPolarHBondContact O-CA 3.37Å; L602-M607 PolarHBondContact O-N 2.92Å; L602-H608 PolarHBondContact O-N 2.89Å; L602-L609 HydrophobicContact CD2-CD1 3.58Å; L602-L609 HydrophobicContact CD2-CG 4.29Å; L602-Y628 HydrophobicContact CD2-CE1 4.48Å
603	G	86.5	Confident	87.5	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	31%	0.312	C	S	.	.			trans	67.6	175.7	-168.6	0	0	0	0	0	112.7	A599 R600 G605 G606	A599-G603 PolarHBondContact O-N 3.45Å; R600-G603 PolarHBondContact O-N 2.75Å; G603-G605 PolarHBondContact O-N 3.18Å; G603-G605 VanDerWaalsContact O-N 3.11Å; G603-G606 PolarHBondContact O-N 2.92Å; G603-G606 VanDerWaalsContact O-N 3.12Å
604	P	86.8	Confident	87.7	Confident	94 Å²	94	57.4 Å²	57.4	61%	0.61	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-60.4	117.7	-178.6	23.3	-31.6	0	0	0	110.8	G606 M607	P604-G606 VanDerWaalsContact C-N 3.25Å; P604-G606 PolarHBondContact O-N 2.86Å; P604-M607 HydrophobicContact CG-CE 4.46Å; P604-M607 VanDerWaalsContact O-CB 3.29Å; P604-M607 WeakPolarHBondContact O-CB 3.5Å; P604-M607 PolarHBondContact O-N 3.42Å
605	G	86.9	Confident	88.1	Confident	75 Å²	75	59.7 Å²	59.7	77%	0.773	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	65.5	20.6	-179.3	0	0	0	0	0	115.3	G603 M607	G603-G605 PolarHBondContact O-N 3.18Å; G603-G605 VanDerWaalsContact O-N 3.11Å; G605-M607 VanDerWaalsContact C-N 3.32Å
606	G	88.9	Confident	88.7	Confident	18 Å²	18	56.3 Å²	56.3	19%	0.186	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	77	16.9	-176	0	0	0	0	0	113.8	L602 G603 P604 H608 L609 K610	L602-G606 CarbonylContact O-C 3.53Å; L602-G606 WeakPolarHBondContact O-CA 3.37Å; G603-G606 PolarHBondContact O-N 2.92Å; G603-G606 VanDerWaalsContact O-N 3.12Å; P604-G606 VanDerWaalsContact C-N 3.25Å; P604-G606 PolarHBondContact O-N 2.86Å; G606-H608 VanDerWaalsContact C-N 3.29Å; G606-H608 PolarHBondContact O-N 2.77Å; G606-L609 PolarHBondContact O-N 2.75Å; G606-K610 WeakPolarHBondContact O-CG 3.43Å; G606-K610 PolarHBondContact O-N 3.3Å; G606-K610 VanDerWaalsContact O-N 3.13Å
607	M	92.5	Very high	89.4	Confident	95 Å²	95	60.1 Å²	60.1	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-34.5	-173.9	-173.1	-166.1	-61.7	0	0	113.1	L602 P604 G605 R611	L602-M607 PolarHBondContact O-N 2.92Å; P604-M607 HydrophobicContact CG-CE 4.46Å; P604-M607 VanDerWaalsContact O-CB 3.29Å; P604-M607 WeakPolarHBondContact O-CB 3.5Å; P604-M607 PolarHBondContact O-N 3.42Å; G605-M607 VanDerWaalsContact C-N 3.32Å; M607-R611 WeakPolarHBondContact O-CB 3.48Å; M607-R611 PolarHBondContact O-N 3.25Å
608	H	92.3	Very high	89.9	Confident	45 Å²	45	58.7 Å²	58.7	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-46	-179.2	-67.4	171.3	0	0	0	110.9	R600 F601 L602 G606 K610 R611 V612 L648	R600-H608 PolarHBondContact O-ND1 3.33Å; F601-H608 WeakPolarHBondContact O-CB 3.28Å; L602-H608 PolarHBondContact O-N 2.89Å; G606-H608 VanDerWaalsContact C-N 3.29Å; G606-H608 PolarHBondContact O-N 2.77Å; H608-K610 PolarHBondContact O-N 3.17Å; H608-R611 WeakPolarHBondContact O-CB 3.47Å; H608-R611 PolarHBondContact O-N 3.36Å; H608-R611 VanDerWaalsContact O-N 3.16Å; H608-V612 WeakPolarHBondContact O-CG2 3.28Å; H608-V612 PolarHBondContact O-N 2.96Å; H608-L648 HydrophobicContact CB-CD1 4.01Å; H608-L648 HydrophobicContact CB-CD2 4.22Å
609	L	90.6	Very high	90.4	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-48.4	174.9	-62	-170	0	0	0	111.8	F601 L602 G606 R611 V612 E613 I620 L645	F601-L609 HydrophobicContact CD1-CD2 4.1Å; F601-L609 HydrophobicContact CD2-CD2 4.22Å; F601-L609 HydrophobicContact CE1-CD1 3.93Å; F601-L609 HydrophobicContact CE1-CD2 3.6Å; F601-L609 HydrophobicContact CE1-CG 4.28Å; F601-L609 HydrophobicContact CE2-CD2 3.75Å; F601-L609 HydrophobicContact CG-CD2 4.39Å; F601-L609 HydrophobicContact CZ-CD1 4.42Å; F601-L609 HydrophobicContact CZ-CD2 3.41Å; F601-L609 VanDerWaalsContact CZ-CD2 3.41Å; L602-L609 HydrophobicContact CD2-CD1 3.58Å; L602-L609 HydrophobicContact CD2-CG 4.29Å; G606-L609 PolarHBondContact O-N 2.75Å; L609-R611 PolarHBondContact O-N 2.77Å; L609-R611 VanDerWaalsContact O-N 3.17Å; L609-V612 PolarHBondContact O-N 3.28Å; L609-V612 VanDerWaalsContact O-N 3.08Å; L609-E613 WeakPolarHBondContact O-CB 3.37Å; L609-E613 VanDerWaalsContact O-CG 3.31Å; L609-E613 WeakPolarHBondContact O-CG 3.45Å; L609-E613 PolarHBondContact O-N 2.82Å; L609-I620 HydrophobicContact CD1-CG2 4.18Å; L609-I620 HydrophobicContact CD2-CD1 3.89Å; L609-I620 HydrophobicContact CD2-CG2 4.32Å; L609-L645 HydrophobicContact CD2-CD2 4.5Å
610	K	92.3	Very high	90.9	Very high	137 Å²	137	54.5 Å²	54.5	60%	0.596	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-33.7	177.4	-71.7	177.2	179.2	172.2	0	112.7	G606 H608 A614	G606-K610 WeakPolarHBondContact O-CG 3.43Å; G606-K610 PolarHBondContact O-N 3.3Å; G606-K610 VanDerWaalsContact O-N 3.13Å; H608-K610 PolarHBondContact O-N 3.17Å; K610-A614 WeakPolarHBondContact O-CB 3.3Å; K610-A614 PolarHBondContact O-N 3.07Å
611	R	93.8	Very high	91.2	Very high	130 Å²	130	53.9 Å²	53.9	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-69.5	-47.9	176.1	-173.3	-175	-57.7	169.2	4.4	111.1	M607 H608 L609 E613 A614 N615	M607-R611 WeakPolarHBondContact O-CB 3.48Å; M607-R611 PolarHBondContact O-N 3.25Å; H608-R611 WeakPolarHBondContact O-CB 3.47Å; H608-R611 PolarHBondContact O-N 3.36Å; H608-R611 VanDerWaalsContact O-N 3.16Å; L609-R611 PolarHBondContact O-N 2.77Å; L609-R611 VanDerWaalsContact O-N 3.17Å; R611-E613 VanDerWaalsContact C-N 3.35Å; R611-E613 PolarHBondContact O-N 2.84Å; R611-A614 PolarHBondContact O-N 2.87Å; R611-N615 WeakPolarHBondContact O-CB 3.46Å; R611-N615 VanDerWaalsContact O-CG 3.23Å; R611-N615 PolarHBondContact O-N 3.32Å
612	V	93.7	Very high	91.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-48.2	176.8	176.7	0	0	0	0	110.2	H608 L609 A614 N615 T616 V618 I620 A641 E644 L645 L648	H608-V612 WeakPolarHBondContact O-CG2 3.28Å; H608-V612 PolarHBondContact O-N 2.96Å; L609-V612 PolarHBondContact O-N 3.28Å; L609-V612 VanDerWaalsContact O-N 3.08Å; V612-A614 VanDerWaalsContact C-N 3.34Å; V612-A614 PolarHBondContact O-N 3.38Å; V612-N615 PolarHBondContact O-N 3.27Å; V612-T616 WeakPolarHBondContact O-CB 3.44Å; V612-T616 PolarHBondContact O-N 2.95Å; V612-T616 PolarHBondContact O-OG1 3.28Å; V612-V618 HydrophobicContact CG1-CG2 4.2Å; V612-I620 HydrophobicContact CB-CD1 4.35Å; V612-I620 HydrophobicContact CG1-CD1 4.1Å; V612-A641 HydrophobicContact CG1-CB 4.31Å; V612-E644 HydrophobicContact CG1-CB 4.37Å; V612-E644 HydrophobicContact CG2-CB 4.04Å; V612-L645 HydrophobicContact CG1-CD2 4.2Å; V612-L645 HydrophobicContact CG1-CG 4.19Å; V612-L645 HydrophobicContact CG2-CD2 4.33Å; V612-L648 HydrophobicContact CG2-CD1 3.82Å
613	E	93.7	Very high	91.2	Very high	54 Å²	54	60.3 Å²	60.3	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-56.6	-46.2	176.6	-68.4	179.9	141.5	0	0	111.6	L609 R611 N617 V618 I620	L609-E613 WeakPolarHBondContact O-CB 3.37Å; L609-E613 VanDerWaalsContact O-CG 3.31Å; L609-E613 WeakPolarHBondContact O-CG 3.45Å; L609-E613 PolarHBondContact O-N 2.82Å; R611-E613 VanDerWaalsContact C-N 3.35Å; R611-E613 PolarHBondContact O-N 2.84Å; E613-N617 VanDerWaalsContact O-CA 3.24Å; E613-N617 WeakPolarHBondContact O-CA 3.06Å; E613-N617 PolarHBondContact O-N 3.49Å; E613-V618 WeakPolarHBondContact CA-O 3.12Å; E613-V618 WeakPolarHBondContact CB-O 3.31Å; E613-V618 WeakPolarHBondContact CG-O 3.37Å; E613-I620 HydrophobicContact CG-CB 4.46Å; E613-I620 HydrophobicContact CG-CD1 4.36Å; E613-I620 HydrophobicContact CG-CG1 4.14Å; E613-I620 PolarHBondContact OE1-N 2.93Å
614	A	93.7	Very high	91.3	Very high	71 Å²	71	62.4 Å²	62.4	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-68.3	-36.1	179.3	0	0	0	0	0	113.8	K610 R611 V612	K610-A614 WeakPolarHBondContact O-CB 3.3Å; K610-A614 PolarHBondContact O-N 3.07Å; R611-A614 PolarHBondContact O-N 2.87Å; V612-A614 VanDerWaalsContact C-N 3.34Å; V612-A614 PolarHBondContact O-N 3.38Å
615	N	93.3	Very high	91	Very high	94 Å²	94	63 Å²	63	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-75.7	-37.6	-178.5	-74.9	-7.7	0	0	0	112.5	R611 V612 E644	R611-N615 WeakPolarHBondContact O-CB 3.46Å; R611-N615 VanDerWaalsContact O-CG 3.23Å; R611-N615 PolarHBondContact O-N 3.32Å; V612-N615 PolarHBondContact O-N 3.27Å; N615-E644 WeakPolarHBondContact CB-OE1 3.46Å; N615-E644 PolarHBondContact ND2-OE1 3.26Å; N615-E644 PolarHBondContact ND2-OE2 2.84Å
616	T	92.5	Very high	90.9	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-110.9	-6.4	-167.5	63.9	0	0	0	0	113.5	V612 V618 S637 E640 A641	V612-T616 WeakPolarHBondContact O-CB 3.44Å; V612-T616 PolarHBondContact O-N 2.95Å; V612-T616 PolarHBondContact O-OG1 3.28Å; T616-V618 PolarHBondContact O-N 2.66Å; T616-V618 VanDerWaalsContact OG1-CG2 3.22Å; T616-V618 WeakPolarHBondContact OG1-CG2 3.48Å; T616-S637 WeakPolarHBondContact O-CB 3.18Å; T616-S637 PolarHBondContact O-OG 2.82Å; T616-E640 HydrophobicContact CG2-CB 4.2Å; T616-A641 HydrophobicContact CG2-CB 4.26Å
617	N	91	Very high	91.1	Very high	121 Å²	121	65.2 Å²	65.2	65%	0.647	33%	0.331	S	S	*	.			trans	56.5	28.4	-173.3	-60.5	-57.5	0	0	0	113.5	E613 P633	E613-N617 VanDerWaalsContact O-CA 3.24Å; E613-N617 WeakPolarHBondContact O-CA 3.06Å; E613-N617 PolarHBondContact O-N 3.49Å; N617-P633 VanDerWaalsContact O-CD 3.28Å; N617-P633 WeakPolarHBondContact O-CD 3.5Å
618	V	93.9	Very high	91.1	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	31%	0.309	C	S	.	.			trans	-89.3	167.1	169.4	-56	0	0	0	0	110.5	V612 E613 T616 I620 V630 F631 A632 A641	V612-V618 HydrophobicContact CG1-CG2 4.2Å; E613-V618 WeakPolarHBondContact CA-O 3.12Å; E613-V618 WeakPolarHBondContact CB-O 3.31Å; E613-V618 WeakPolarHBondContact CG-O 3.37Å; T616-V618 PolarHBondContact O-N 2.66Å; T616-V618 VanDerWaalsContact OG1-CG2 3.22Å; T616-V618 WeakPolarHBondContact OG1-CG2 3.48Å; V618-I620 HydrophobicContact CG2-CD1 4.42Å; V618-I620 HydrophobicContact CG2-CG1 4.17Å; V618-V630 HydrophobicContact CB-CG1 4.34Å; V618-V630 HydrophobicContact CG2-CG1 4.36Å; V618-F631 CarbonylContact C-O 3.54Å; V618-F631 VanDerWaalsContact CA-O 3.28Å; V618-F631 WeakPolarHBondContact CA-O 3.38Å; V618-F631 VanDerWaalsContact CB-O 3.3Å; V618-F631 WeakPolarHBondContact CB-O 3.49Å; V618-A632 HydrophobicContact CG1-CB 3.73Å; V618-A641 HydrophobicContact CB-CB 4.21Å; V618-A641 HydrophobicContact CG1-CB 3.52Å; V618-A641 HydrophobicContact CG2-CB 3.81Å
619	Q	92.7	Very high	91.1	Very high	45 Å²	45	59 Å²	59	21%	0.21	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.3	174.4	-175.6	168.8	29.6	0	0	109.8	S388 F631	S388-Q619 PolarHBondContact OG-OE1 3.31Å; Q619-F631 HydrophobicContact CB-CB 4.39Å; Q619-F631 HydrophobicContact CB-CD1 4.35Å; Q619-F631 PolarHBondContact N-O 3.5Å; Q619-F631 PolarHBondContact O-N 2.85Å
620	I	92.2	Very high	91.3	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.072	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.1	-176.4	-55.5	176.4	0	0	0	108.5	F601 L609 V612 E613 V618 Y628 S629 V630 L645	F601-I620 HydrophobicContact CZ-CG2 4.37Å; L609-I620 HydrophobicContact CD1-CG2 4.18Å; L609-I620 HydrophobicContact CD2-CD1 3.89Å; L609-I620 HydrophobicContact CD2-CG2 4.32Å; V612-I620 HydrophobicContact CB-CD1 4.35Å; V612-I620 HydrophobicContact CG1-CD1 4.1Å; E613-I620 HydrophobicContact CG-CB 4.46Å; E613-I620 HydrophobicContact CG-CD1 4.36Å; E613-I620 HydrophobicContact CG-CG1 4.14Å; E613-I620 PolarHBondContact OE1-N 2.93Å; V618-I620 HydrophobicContact CG2-CD1 4.42Å; V618-I620 HydrophobicContact CG2-CG1 4.17Å; I620-Y628 HydrophobicContact CG2-CD1 4.19Å; I620-S629 CarbonylContact C-O 3.57Å; I620-S629 WeakPolarHBondContact CA-O 3.39Å; I620-V630 HydrophobicContact CG1-CG1 4.43Å; I620-V630 HydrophobicContact CG1-CG2 4.42Å; I620-L645 HydrophobicContact CD1-CD1 4.38Å; I620-L645 HydrophobicContact CD1-CD2 3.79Å
621	T	90.6	Very high	91.4	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.27	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131	-178.6	-47.8	0	0	0	0	110.2	Q390 I623 Y628 S629	Q390-T621 PolarHBondContact NE2-OG1 2.98Å; T621-I623 PolarHBondContact O-N 3.45Å; T621-Y628 CarbonylContact O-C 3.1Å; T621-Y628 VanDerWaalsContact O-CA 3.31Å; T621-Y628 WeakPolarHBondContact O-CA 3.36Å; T621-S629 PolarHBondContact N-O 3.37Å; T621-S629 PolarHBondContact O-N 3.16Å
622	Q	90.1	Very high	91.4	Very high	101 Å²	101	46.2 Å²	46.2	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	124.9	172.5	-169.8	175.7	4.1	0	0	110.3	D624 Y628	Q622-D624 WeakPolarHBondContact CG-O 3.43Å; Q622-D624 PolarHBondContact NE2-O 2.74Å; Q622-Y628 HydrophobicContact CB-CD1 3.91Å; Q622-Y628 HydrophobicContact CB-CE1 3.7Å; Q622-Y628 HydrophobicContact CG-CD1 4.14Å; Q622-Y628 HydrophobicContact CG-CE1 3.67Å
623	I	88.1	Confident	91.3	Very high	87 Å²	87	48.4 Å²	48.4	45%	0.446	26%	0.263	S	S	.	.			trans	-89.8	-51	172.6	-57.7	170.7	0	0	0	108.8	T590 T621 R627	T590-I623 HydrophobicContact CG2-CD1 4.27Å; T621-I623 PolarHBondContact O-N 3.45Å; I623-R627 HydrophobicContact CB-CB 4.33Å; I623-R627 WeakPolarHBondContact CB-O 3.37Å; I623-R627 HydrophobicContact CD1-CB 4.47Å; I623-R627 PolarHBondContact N-O 2.85Å
624	D	87.8	Confident	91.2	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	27%	0.267	S	S	.	.	S	Bend	trans	-147.8	-168.1	175.7	63.1	45.7	0	0	0	110.6	Q622 A626 R627	Q622-D624 WeakPolarHBondContact CG-O 3.43Å; Q622-D624 PolarHBondContact NE2-O 2.74Å; D624-A626 VanDerWaalsContact C-N 3.25Å; D624-A626 PolarHBondContact O-N 2.8Å; D624-A626 PolarHBondContact OD1-N 2.86Å; D624-R627 PolarHBondContact N-O 3.13Å; D624-R627 WeakPolarHBondContact OD1-CB 3.38Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 IonicContact OD1-NE 3.19Å; D624-R627 IonicContact OD2-CZ 2.68Å; D624-R627 IonicContact OD2-NE 3.38Å; D624-R627 PolarHBondContact OD2-NE 3.43Å; D624-R627 IonicContact OD2-NH2 2.61Å; D624-R627 PolarHBondContact OD2-NH2 3.4Å
625	D	81	Confident	91	Very high	108 Å²	108	53.6 Å²	53.6	58%	0.578	27%	0.27	S	S	*	.	S	Bend	trans	-62.4	-28.6	-177.3	-80.7	-18.1	0	0	0	113.9	R598	R598-D625 PolarHBondContact NE-O 3.11Å; R598-D625 PolarHBondContact NH2-O 3.47Å
626	A	85.1	Confident	91	Very high	36 Å²	36	57.3 Å²	57.3	30%	0.298	28%	0.277	S	S	.	.	S	Bend	trans	-113.3	-19	-176.8	0	0	0	0	0	113	E592 V593 D624	E592-A626 CarbonylContact C-O 3.44Å; E592-A626 WeakPolarHBondContact CA-O 3.35Å; V593-A626 PolarHBondContact N-O 2.74Å; D624-A626 VanDerWaalsContact C-N 3.25Å; D624-A626 PolarHBondContact O-N 2.8Å; D624-A626 PolarHBondContact OD1-N 2.86Å
627	R	91.6	Very high	91	Very high	102 Å²	102	57.8 Å²	57.8	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.5	-174.2	-67.1	-176.3	-59.3	152.6	4.6	112.5	T590 L591 E592 I623 D624	T590-R627 HydrophobicContact CG2-CB 4.13Å; T590-R627 HydrophobicContact CG2-CG 4.26Å; L591-R627 WeakPolarHBondContact O-CA 3.22Å; E592-R627 HydrophobicContact CG-CG 3.78Å; I623-R627 HydrophobicContact CB-CB 4.33Å; I623-R627 WeakPolarHBondContact CB-O 3.37Å; I623-R627 HydrophobicContact CD1-CB 4.47Å; I623-R627 PolarHBondContact N-O 2.85Å; D624-R627 PolarHBondContact N-O 3.13Å; D624-R627 WeakPolarHBondContact OD1-CB 3.38Å; D624-R627 PolarHBondContact OD1-N 3.18Å; D624-R627 IonicContact OD1-NE 3.19Å; D624-R627 IonicContact OD2-CZ 2.68Å; D624-R627 IonicContact OD2-NE 3.38Å; D624-R627 PolarHBondContact OD2-NE 3.43Å; D624-R627 IonicContact OD2-NH2 2.61Å; D624-R627 PolarHBondContact OD2-NH2 3.4Å
628	Y	92.4	Very high	91.2	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	175.3	-64.8	-95.8	0	0	0	109.2	T590 L591 V593 F601 L602 I620 T621 Q622	T590-Y628 CarbonylContact C-O 3.38Å; T590-Y628 WeakPolarHBondContact CA-O 3.45Å; L591-Y628 PolarHBondContact N-O 2.54Å; L591-Y628 PolarHBondContact O-N 2.71Å; V593-Y628 HydrophobicContact CB-CD2 4.16Å; V593-Y628 HydrophobicContact CB-CE2 4.02Å; V593-Y628 HydrophobicContact CG2-CD2 3.7Å; V593-Y628 HydrophobicContact CG2-CE2 3.96Å; F601-Y628 HydrophobicContact CD1-CE1 4.5Å; F601-Y628 HydrophobicContact CD1-CE2 4.06Å; F601-Y628 AromaticContact CE1-CD1 3.8Å; F601-Y628 HydrophobicContact CE1-CD1 3.8Å; F601-Y628 AromaticContact CE1-CD2 3.7Å; F601-Y628 HydrophobicContact CE1-CD2 3.7Å; F601-Y628 AromaticContact CE1-CE1 3.73Å; F601-Y628 HydrophobicContact CE1-CE1 3.73Å; F601-Y628 AromaticContact CE1-CE2 3.62Å; F601-Y628 HydrophobicContact CE1-CE2 3.62Å; F601-Y628 AromaticContact CE1-CG 3.8Å; F601-Y628 HydrophobicContact CE1-CG 3.8Å; F601-Y628 AromaticContact CE1-CZ 3.64Å; F601-Y628 HydrophobicContact CZ-CD1 4.33Å; F601-Y628 HydrophobicContact CZ-CD2 4.13Å; F601-Y628 HydrophobicContact CZ-CE2 4.47Å; F601-Y628 HydrophobicContact CZ-CG 4.06Å; L602-Y628 HydrophobicContact CD2-CE1 4.48Å; I620-Y628 HydrophobicContact CG2-CD1 4.19Å; T621-Y628 CarbonylContact O-C 3.1Å; T621-Y628 VanDerWaalsContact O-CA 3.31Å; T621-Y628 WeakPolarHBondContact O-CA 3.36Å; Q622-Y628 HydrophobicContact CB-CD1 3.91Å; Q622-Y628 HydrophobicContact CB-CE1 3.7Å; Q622-Y628 HydrophobicContact CG-CD1 4.14Å; Q622-Y628 HydrophobicContact CG-CE1 3.67Å
629	S	92.9	Very high	91.2	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.9	166.1	165.2	0	0	0	0	108.6	E588 I620 T621	E588-S629 WeakPolarHBondContact CG-OG 3.34Å; E588-S629 PolarHBondContact OE1-OG 2.81Å; I620-S629 CarbonylContact C-O 3.57Å; I620-S629 WeakPolarHBondContact CA-O 3.39Å; T621-S629 PolarHBondContact N-O 3.37Å; T621-S629 PolarHBondContact O-N 3.16Å
630	V	94.4	Very high	91.3	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.5	170.6	-173.9	0	0	0	0	107	E588 E589 L591 V618 I620 M638 L645	E588-V630 WeakPolarHBondContact CA-O 3.34Å; E589-V630 PolarHBondContact N-O 2.93Å; E589-V630 PolarHBondContact O-N 2.86Å; L591-V630 HydrophobicContact CB-CG2 4.08Å; L591-V630 HydrophobicContact CD2-CG2 4.41Å; V618-V630 HydrophobicContact CB-CG1 4.34Å; V618-V630 HydrophobicContact CG2-CG1 4.36Å; I620-V630 HydrophobicContact CG1-CG1 4.43Å; I620-V630 HydrophobicContact CG1-CG2 4.42Å; V630-M638 HydrophobicContact CB-CE 4.38Å; V630-M638 HydrophobicContact CB-SD 4.28Å; V630-M638 HydrophobicContact CG1-CE 4.1Å; V630-M638 HydrophobicContact CG1-SD 3.76Å; V630-M638 WeakPolarHBondContact O-CE 3.31Å; V630-L645 HydrophobicContact CG1-CD1 4.37Å; V630-L645 HydrophobicContact CG2-CD1 4.09Å
631	F	95.3	Very high	91.5	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.9	173.3	170.6	-90.9	0	0	0	109.5	D387 F455 P586 V618 Q619	D387-F631 WeakPolarHBondContact OD1-CE1 3.24Å; F455-F631 HydrophobicContact CD1-CD2 4.09Å; F455-F631 AromaticContact CD1-CE2 3.64Å; F455-F631 HydrophobicContact CD1-CE2 3.64Å; F455-F631 AromaticContact CE1-CD2 3.93Å; F455-F631 HydrophobicContact CE1-CD2 3.93Å; F455-F631 AromaticContact CE1-CE2 3.71Å; F455-F631 HydrophobicContact CE1-CE2 3.71Å; P586-F631 HydrophobicContact CB-CD2 4.4Å; P586-F631 HydrophobicContact CB-CE2 3.4Å; P586-F631 HydrophobicContact CB-CZ 3.54Å; P586-F631 HydrophobicContact CG-CE2 3.92Å; P586-F631 HydrophobicContact CG-CZ 4.21Å; V618-F631 CarbonylContact C-O 3.54Å; V618-F631 VanDerWaalsContact CA-O 3.28Å; V618-F631 WeakPolarHBondContact CA-O 3.38Å; V618-F631 VanDerWaalsContact CB-O 3.3Å; V618-F631 WeakPolarHBondContact CB-O 3.49Å; Q619-F631 HydrophobicContact CB-CB 4.39Å; Q619-F631 HydrophobicContact CB-CD1 4.35Å; Q619-F631 PolarHBondContact N-O 3.5Å; Q619-F631 PolarHBondContact O-N 2.85Å
632	A	94.1	Very high	91.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.5	174.3	0	0	0	0	0	110.7	P586 V587 V618 N634 M638	P586-A632 CarbonylContact C-O 3.59Å; P586-A632 VanDerWaalsContact CA-O 3.26Å; P586-A632 WeakPolarHBondContact CA-O 3.28Å; P586-A632 VanDerWaalsContact CB-O 3.24Å; P586-A632 WeakPolarHBondContact CB-O 3.45Å; V587-A632 PolarHBondContact N-O 3.08Å; V587-A632 PolarHBondContact O-N 2.58Å; V618-A632 HydrophobicContact CG1-CB 3.73Å; A632-N634 WeakPolarHBondContact CB-O 3.34Å; A632-N634 PolarHBondContact O-N 3Å; A632-M638 HydrophobicContact CB-CB 3.68Å; A632-M638 HydrophobicContact CB-CE 3.54Å; A632-M638 HydrophobicContact CB-CG 4.49Å; A632-M638 HydrophobicContact CB-SD 4.24Å
633	P	91.5	Very high	91.8	Very high	49 Å²	49	60 Å²	60	32%	0.318	28%	0.279	S	S	.	.	S	Bend	trans	-66.1	-20.7	-179.8	26.8	-35.3	0	0	0	113	N617	N617-P633 VanDerWaalsContact O-CD 3.28Å; N617-P633 WeakPolarHBondContact O-CD 3.5Å
634	N	90.9	Very high	92	Very high	60 Å²	60	58.6 Å²	58.6	32%	0.321	27%	0.271	S	S	.	.	S	Bend	trans	-155.9	166.2	175.2	62.2	74.6	0	0	0	110	A632 R636 S637 M638	A632-N634 WeakPolarHBondContact CB-O 3.34Å; A632-N634 PolarHBondContact O-N 3Å; N634-R636 VanDerWaalsContact C-N 3.33Å; N634-R636 PolarHBondContact O-N 3.17Å; N634-R636 WeakPolarHBondContact OD1-CB 3.49Å; N634-R636 PolarHBondContact OD1-N 3.33Å; N634-S637 PolarHBondContact ND2-OG 3.29Å; N634-S637 PolarHBondContact O-N 3.41Å; N634-S637 PolarHBondContact OD1-N 3.27Å; N634-S637 PolarHBondContact OD1-OG 3.1Å; N634-M638 PolarHBondContact O-N 3.35Å
635	R	90.4	Very high	92.2	Very high	174 Å²	174	56.2 Å²	56.2	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-60.5	-36.3	-178.2	-173	174.2	-179.2	136.5	2.7	114.1	V587 M638 E639	V587-R635 HydrophobicContact CG2-CB 4.22Å; R635-M638 WeakPolarHBondContact O-CB 3.43Å; R635-M638 PolarHBondContact O-N 3.01Å; R635-E639 IonicContact NE-OE1 2.96Å; R635-E639 PolarHBondContact NE-OE1 3.49Å; R635-E639 WeakPolarHBondContact O-CG 3.44Å; R635-E639 PolarHBondContact O-N 3.24Å
636	R	91.8	Very high	92.6	Very high	172 Å²	172	55.7 Å²	55.7	65%	0.649	26%	0.255	S	S	*	.	H	α-helix	trans	-65.1	-45.4	179.6	178	-176.3	170	175	0.4	111.2	N634 M638 E639 E640	N634-R636 VanDerWaalsContact C-N 3.33Å; N634-R636 PolarHBondContact O-N 3.17Å; N634-R636 WeakPolarHBondContact OD1-CB 3.49Å; N634-R636 PolarHBondContact OD1-N 3.33Å; R636-M638 VanDerWaalsContact C-N 3.25Å; R636-M638 PolarHBondContact O-N 3.27Å; R636-E639 PolarHBondContact O-N 2.88Å; R636-E640 IonicContact CZ-OE1 3.3Å; R636-E640 IonicContact NE-OE1 2.76Å; R636-E640 PolarHBondContact NE-OE1 2.89Å; R636-E640 IonicContact NH2-OE1 2.87Å; R636-E640 PolarHBondContact NH2-OE1 3.1Å; R636-E640 WeakPolarHBondContact O-CG 3.3Å; R636-E640 PolarHBondContact O-N 3.28Å
637	S	93.5	Very high	92.8	Very high	13 Å²	13	59.5 Å²	59.5	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-37.4	174.3	-67.1	0	0	0	0	111.7	T616 N634 E640 A641	T616-S637 WeakPolarHBondContact O-CB 3.18Å; T616-S637 PolarHBondContact O-OG 2.82Å; N634-S637 PolarHBondContact ND2-OG 3.29Å; N634-S637 PolarHBondContact O-N 3.41Å; N634-S637 PolarHBondContact OD1-N 3.27Å; N634-S637 PolarHBondContact OD1-OG 3.1Å; S637-E640 PolarHBondContact O-N 2.65Å; S637-A641 WeakPolarHBondContact O-CB 3.49Å; S637-A641 PolarHBondContact O-N 2.84Å
638	M	94.9	Very high	92.5	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-45.2	174.2	-173.1	58.8	76.1	0	0	112.1	V587 E589 V630 A632 N634 R635 R636 A641 K642	V587-M638 HydrophobicContact CB-CE 4.11Å; V587-M638 HydrophobicContact CG1-CE 4.09Å; V587-M638 HydrophobicContact CG1-CG 4.42Å; V587-M638 WeakPolarHBondContact O-CE 3.2Å; E589-M638 HydrophobicContact CB-CE 4.27Å; E589-M638 HydrophobicContact CB-SD 4.39Å; E589-M638 HydrophobicContact CG-CE 4.17Å; E589-M638 HydrophobicContact CG-SD 4.36Å; V630-M638 HydrophobicContact CB-CE 4.38Å; V630-M638 HydrophobicContact CB-SD 4.28Å; V630-M638 HydrophobicContact CG1-CE 4.1Å; V630-M638 HydrophobicContact CG1-SD 3.76Å; V630-M638 WeakPolarHBondContact O-CE 3.31Å; A632-M638 HydrophobicContact CB-CB 3.68Å; A632-M638 HydrophobicContact CB-CE 3.54Å; A632-M638 HydrophobicContact CB-CG 4.49Å; A632-M638 HydrophobicContact CB-SD 4.24Å; N634-M638 PolarHBondContact O-N 3.35Å; R635-M638 WeakPolarHBondContact O-CB 3.43Å; R635-M638 PolarHBondContact O-N 3.01Å; R636-M638 VanDerWaalsContact C-N 3.25Å; R636-M638 PolarHBondContact O-N 3.27Å; M638-A641 PolarHBondContact O-N 3.34Å; M638-K642 HydrophobicContact CG-CD 4.42Å; M638-K642 WeakPolarHBondContact O-CB 3.22Å; M638-K642 WeakPolarHBondContact O-CG 3.38Å; M638-K642 PolarHBondContact O-N 3.49Å
639	E	94.7	Very high	92.2	Very high	89 Å²	89	57 Å²	57	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-37.9	179.8	-71	170.2	-172.4	0	0	112.3	R635 R636 K643	R635-E639 IonicContact NE-OE1 2.96Å; R635-E639 PolarHBondContact NE-OE1 3.49Å; R635-E639 WeakPolarHBondContact O-CG 3.44Å; R635-E639 PolarHBondContact O-N 3.24Å; R636-E639 PolarHBondContact O-N 2.88Å; E639-K643 WeakPolarHBondContact O-CG 3.43Å; E639-K643 PolarHBondContact O-N 2.72Å
640	E	95	Very high	91.6	Very high	73 Å²	73	63 Å²	63	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-45.4	173.9	-71.1	172.1	-174.9	0	0	111.1	T616 R636 S637 K643 E644	T616-E640 HydrophobicContact CG2-CB 4.2Å; R636-E640 IonicContact CZ-OE1 3.3Å; R636-E640 IonicContact NE-OE1 2.76Å; R636-E640 PolarHBondContact NE-OE1 2.89Å; R636-E640 IonicContact NH2-OE1 2.87Å; R636-E640 PolarHBondContact NH2-OE1 3.1Å; R636-E640 WeakPolarHBondContact O-CG 3.3Å; R636-E640 PolarHBondContact O-N 3.28Å; S637-E640 PolarHBondContact O-N 2.65Å; E640-K643 PolarHBondContact O-N 3.14Å; E640-E644 PolarHBondContact O-N 2.8Å
641	A	94.7	Very high	90.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-44.1	176.1	0	0	0	0	0	112.7	V612 T616 V618 S637 M638 K643 E644 L645	V612-A641 HydrophobicContact CG1-CB 4.31Å; T616-A641 HydrophobicContact CG2-CB 4.26Å; V618-A641 HydrophobicContact CB-CB 4.21Å; V618-A641 HydrophobicContact CG1-CB 3.52Å; V618-A641 HydrophobicContact CG2-CB 3.81Å; S637-A641 WeakPolarHBondContact O-CB 3.49Å; S637-A641 PolarHBondContact O-N 2.84Å; M638-A641 PolarHBondContact O-N 3.34Å; A641-K643 VanDerWaalsContact C-N 3.31Å; A641-K643 PolarHBondContact O-N 3.28Å; A641-E644 PolarHBondContact O-N 2.95Å; A641-E644 VanDerWaalsContact O-N 3.16Å; A641-L645 HydrophobicContact CB-CD1 4.44Å; A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 WeakPolarHBondContact O-CD1 3.42Å; A641-L645 WeakPolarHBondContact O-CG 3.38Å; A641-L645 PolarHBondContact O-N 3.4Å
642	K	94	Very high	89	Confident	76 Å²	76	70.3 Å²	70.3	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-44.7	176.1	-82.9	179.5	165.4	-178.3	0	112.3	E589 M638 E644 L645 D646	E589-K642 VanDerWaalsContact OE1-CE 3.31Å; E589-K642 WeakPolarHBondContact OE1-CE 3.25Å; E589-K642 IonicContact OE1-NZ 3.65Å; E589-K642 PolarHBondContact OE1-NZ 3.33Å; E589-K642 WeakPolarHBondContact OE2-CE 3.46Å; E589-K642 IonicContact OE2-NZ 2.83Å; E589-K642 PolarHBondContact OE2-NZ 2.79Å; M638-K642 HydrophobicContact CG-CD 4.42Å; M638-K642 WeakPolarHBondContact O-CB 3.22Å; M638-K642 WeakPolarHBondContact O-CG 3.38Å; M638-K642 PolarHBondContact O-N 3.49Å; K642-E644 VanDerWaalsContact C-N 3.33Å; K642-E644 PolarHBondContact O-N 3.4Å; K642-L645 PolarHBondContact O-N 3.11Å; K642-D646 VanDerWaalsContact O-CB 3.3Å; K642-D646 WeakPolarHBondContact O-CB 3.48Å; K642-D646 PolarHBondContact O-N 3.38Å
643	K	93.3	Very high	87.5	Confident	137 Å²	137	74.7 Å²	74.7	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-44	177.3	-70.4	170.3	-173.4	173.6	0	111.9	E639 E640 A641 I647	E639-K643 WeakPolarHBondContact O-CG 3.43Å; E639-K643 PolarHBondContact O-N 2.72Å; E640-K643 PolarHBondContact O-N 3.14Å; A641-K643 VanDerWaalsContact C-N 3.31Å; A641-K643 PolarHBondContact O-N 3.28Å; K643-I647 WeakPolarHBondContact O-CD1 3.37Å; K643-I647 VanDerWaalsContact O-CG1 3.25Å; K643-I647 WeakPolarHBondContact O-CG1 3.47Å; K643-I647 PolarHBondContact O-N 3.17Å
644	E	92.9	Very high	86.1	Confident	58 Å²	58	74 Å²	74	27%	0.271	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-40.4	176.3	-67.9	-163.7	-163.2	0	0	112.1	V612 N615 E640 A641 K642 I647 L648	V612-E644 HydrophobicContact CG1-CB 4.37Å; V612-E644 HydrophobicContact CG2-CB 4.04Å; N615-E644 WeakPolarHBondContact CB-OE1 3.46Å; N615-E644 PolarHBondContact ND2-OE1 3.26Å; N615-E644 PolarHBondContact ND2-OE2 2.84Å; E640-E644 PolarHBondContact O-N 2.8Å; A641-E644 PolarHBondContact O-N 2.95Å; A641-E644 VanDerWaalsContact O-N 3.16Å; K642-E644 VanDerWaalsContact C-N 3.33Å; K642-E644 PolarHBondContact O-N 3.4Å; E644-I647 PolarHBondContact O-N 2.76Å; E644-L648 WeakPolarHBondContact O-CG 3.45Å; E644-L648 PolarHBondContact O-N 2.76Å; E644-L648 VanDerWaalsContact O-N 3.13Å
645	L	91.9	Very high	84.6	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-68.2	-39.4	178.9	-66.6	164.9	0	0	0	111.8	L591 F601 L609 V612 I620 V630 A641 K642 I647 L648 L649	L591-L645 HydrophobicContact CD2-CD1 4.2Å; L591-L645 HydrophobicContact CD2-CD2 4.37Å; F601-L645 HydrophobicContact CE2-CD2 3.7Å; F601-L645 HydrophobicContact CZ-CD2 4.42Å; L609-L645 HydrophobicContact CD2-CD2 4.5Å; V612-L645 HydrophobicContact CG1-CD2 4.2Å; V612-L645 HydrophobicContact CG1-CG 4.19Å; V612-L645 HydrophobicContact CG2-CD2 4.33Å; I620-L645 HydrophobicContact CD1-CD1 4.38Å; I620-L645 HydrophobicContact CD1-CD2 3.79Å; V630-L645 HydrophobicContact CG1-CD1 4.37Å; V630-L645 HydrophobicContact CG2-CD1 4.09Å; A641-L645 HydrophobicContact CB-CD1 4.44Å; A641-L645 WeakPolarHBondContact O-CB 3.31Å; A641-L645 WeakPolarHBondContact O-CD1 3.42Å; A641-L645 WeakPolarHBondContact O-CG 3.38Å; A641-L645 PolarHBondContact O-N 3.4Å; K642-L645 PolarHBondContact O-N 3.11Å; L645-I647 VanDerWaalsContact C-N 3.33Å; L645-I647 PolarHBondContact O-N 2.76Å; L645-L648 CarbonylContact O-C 3.51Å; L645-L648 WeakPolarHBondContact O-CA 3.43Å; L645-L648 WeakPolarHBondContact O-CB 3.45Å; L645-L648 PolarHBondContact O-N 3.37Å; L645-L648 VanDerWaalsContact O-N 3.11Å; L645-L649 WeakPolarHBondContact O-CB 3.44Å; L645-L649 VanDerWaalsContact O-CG 3.28Å; L645-L649 WeakPolarHBondContact O-CG 3.11Å; L645-L649 PolarHBondContact O-N 2.75Å
646	D	90.3	Very high	83.5	Confident	97 Å²	97	71.8 Å²	71.8	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-41.1	176.5	-71.4	-22.3	0	0	0	110.5	K642 L648 L649 E650	K642-D646 VanDerWaalsContact O-CB 3.3Å; K642-D646 WeakPolarHBondContact O-CB 3.48Å; K642-D646 PolarHBondContact O-N 3.38Å; D646-L648 VanDerWaalsContact C-N 3.33Å; D646-L648 PolarHBondContact O-N 3.33Å; D646-L649 CarbonylContact O-C 3.56Å; D646-L649 PolarHBondContact O-N 3.24Å; D646-L649 VanDerWaalsContact O-N 3.11Å; D646-E650 WeakPolarHBondContact O-CA 3.41Å; D646-E650 PolarHBondContact O-N 3.2Å
647	I	88	Confident	82.6	Confident	116 Å²	116	65.7 Å²	65.7	60%	0.595	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-41.3	173.1	-66.5	163.2	0	0	0	110.9	K643 E644 L645 L649	K643-I647 WeakPolarHBondContact O-CD1 3.37Å; K643-I647 VanDerWaalsContact O-CG1 3.25Å; K643-I647 WeakPolarHBondContact O-CG1 3.47Å; K643-I647 PolarHBondContact O-N 3.17Å; E644-I647 PolarHBondContact O-N 2.76Å; L645-I647 VanDerWaalsContact C-N 3.33Å; L645-I647 PolarHBondContact O-N 2.76Å; I647-L649 PolarHBondContact O-N 3.13Å
648	L	85.7	Confident	81.9	Confident	33 Å²	33	72.6 Å²	72.6	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-69.6	-22.8	176	-69.4	173.5	0	0	0	113.1	R600 H608 V612 E644 L645 D646	R600-L648 PolarHBondContact NE-O 3.3Å; R600-L648 PolarHBondContact NH2-O 2.91Å; H608-L648 HydrophobicContact CB-CD1 4.01Å; H608-L648 HydrophobicContact CB-CD2 4.22Å; V612-L648 HydrophobicContact CG2-CD1 3.82Å; E644-L648 WeakPolarHBondContact O-CG 3.45Å; E644-L648 PolarHBondContact O-N 2.76Å; E644-L648 VanDerWaalsContact O-N 3.13Å; L645-L648 CarbonylContact O-C 3.51Å; L645-L648 WeakPolarHBondContact O-CA 3.43Å; L645-L648 WeakPolarHBondContact O-CB 3.45Å; L645-L648 PolarHBondContact O-N 3.37Å; L645-L648 VanDerWaalsContact O-N 3.11Å; D646-L648 VanDerWaalsContact C-N 3.33Å; D646-L648 PolarHBondContact O-N 3.33Å
649	L	85.8	Confident	81.3	Confident	22 Å²	22	79.6 Å²	79.6	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-103.1	-3.1	-178.9	-67.7	176.2	0	0	0	113.4	L591 V593 K597 R600 F601 L645 D646 I647	L591-L649 HydrophobicContact CD1-CD1 3.83Å; L591-L649 HydrophobicContact CD2-CD1 4.01Å; L591-L649 HydrophobicContact CG-CD1 4.21Å; V593-L649 HydrophobicContact CG1-CD2 3.85Å; V593-L649 HydrophobicContact CG2-CD1 4.31Å; V593-L649 HydrophobicContact CG2-CD2 4.18Å; K597-L649 HydrophobicContact CB-CD2 4.08Å; K597-L649 HydrophobicContact CD-CD2 4.31Å; K597-L649 WeakPolarHBondContact CD-O 3.1Å; K597-L649 WeakPolarHBondContact CE-O 3.47Å; K597-L649 PolarHBondContact NZ-O 3.19Å; R600-L649 VanDerWaalsContact NH2-CA 3.29Å; R600-L649 PolarHBondContact NH2-O 3.3Å; F601-L649 HydrophobicContact CB-CD2 4.15Å; F601-L649 HydrophobicContact CD2-CD1 4.46Å; F601-L649 HydrophobicContact CD2-CD2 3.85Å; F601-L649 HydrophobicContact CD2-CG 4.18Å; F601-L649 HydrophobicContact CG-CD2 4.32Å; L645-L649 WeakPolarHBondContact O-CB 3.44Å; L645-L649 VanDerWaalsContact O-CG 3.28Å; L645-L649 WeakPolarHBondContact O-CG 3.11Å; L645-L649 PolarHBondContact O-N 2.75Å; D646-L649 CarbonylContact O-C 3.56Å; D646-L649 PolarHBondContact O-N 3.24Å; D646-L649 VanDerWaalsContact O-N 3.11Å; I647-L649 PolarHBondContact O-N 3.13Å
650	E	81.4	Confident	80.8	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	37%	0.367	S	S	*	.	S	Bend	trans	-56.7	139.1	-179.5	-162.9	171.8	-163.7	0	0	111.2	R600 D646 N652	R600-E650 PolarHBondContact NH1-O 3.45Å; R600-E650 PolarHBondContact NH2-O 3.16Å; D646-E650 WeakPolarHBondContact O-CA 3.41Å; D646-E650 PolarHBondContact O-N 3.2Å; E650-N652 PolarHBondContact O-N 2.99Å; E650-N652 VanDerWaalsContact O-N 3.14Å
651	D	67.8	Low	80.4	Confident	95 Å²	95	74.7 Å²	74.7	51%	0.508	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-62.2	119.2	-178.7	-73.8	-29.2	0	0	0	110.1	K597 D655	K597-D651 VanDerWaalsContact CE-OD1 3.31Å; K597-D651 WeakPolarHBondContact CE-OD1 3.38Å; K597-D651 IonicContact NZ-OD1 3.3Å; K597-D651 PolarHBondContact NZ-OD1 3.36Å; D651-D655 HydrophobicContact CB-CB 3.91Å
652	N	65.6	Low	80.1	Confident	72 Å²	72	79.9 Å²	79.9	39%	0.385	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-71	168.5	170.1	-85	-7.6	0	0	0	109	R600 E650 E654 D655	R600-N652 PolarHBondContact NH1-ND2 2.96Å; R600-N652 VanDerWaalsContact NH1-ND2 3.18Å; R600-N652 PolarHBondContact NH1-OD1 2.87Å; E650-N652 PolarHBondContact O-N 2.99Å; E650-N652 VanDerWaalsContact O-N 3.14Å; N652-E654 HydrophobicContact CB-CB 4.41Å; N652-E654 HydrophobicContact CB-CG 4.23Å; N652-E654 PolarHBondContact O-N 2.85Å; N652-D655 PolarHBondContact N-OD2 3.47Å; N652-D655 PolarHBondContact O-N 3.27Å
653	Y	62.7	Low	79.7	Confident	92 Å²	92	76.9 Å²	76.9	36%	0.361	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-51.4	-26.6	169.9	-69.7	-92.2	0	0	0	113	D655 K656 F657 H680 Q682	Y653-D655 VanDerWaalsContact C-N 3.3Å; Y653-D655 PolarHBondContact O-N 3.41Å; Y653-K656 PolarHBondContact O-N 3.37Å; Y653-F657 WeakPolarHBondContact O-CD2 3.31Å; Y653-F657 VanDerWaalsContact O-CE2 3.22Å; Y653-F657 WeakPolarHBondContact O-CE2 3.13Å; Y653-H680 AromaticContact CD1-CD2 3.72Å; Y653-H680 AromaticContact CD1-CE1 3.39Å; Y653-H680 WeakPolarHBondContact CD1-CE1 3.22Å; Y653-H680 AromaticContact CD1-CG 3.83Å; Y653-H680 AromaticContact CD1-ND1 3.62Å; Y653-H680 AromaticContact CD1-NE2 3.47Å; Y653-H680 WeakPolarHBondContact CD1-NE2 3.3Å; Y653-H680 AromaticContact CD2-CE1 3.82Å; Y653-H680 AromaticContact CD2-ND1 3.75Å; Y653-H680 AromaticContact CE1-CE1 3.32Å; Y653-H680 WeakPolarHBondContact CE1-CE1 3.46Å; Y653-H680 AromaticContact CE1-NE2 3.38Å; Y653-H680 WeakPolarHBondContact CE1-NE2 3.47Å; Y653-H680 AromaticContact CE2-CE1 3.8Å; Y653-H680 AromaticContact CG-CE1 3.63Å; Y653-H680 AromaticContact CG-CG 3.88Å; Y653-H680 AromaticContact CG-ND1 3.46Å; Y653-H680 AromaticContact CZ-CE1 3.52Å; Y653-Q682 HydrophobicContact CD2-CB 4.39Å
654	E	61.9	Low	79.6	Confident	34 Å²	34	74.2 Å²	74.2	16%	0.159	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-62.5	-31.4	175.2	-50.3	-166.9	162.7	0	0	114.3	N652 K656 F657 M683 R719 M726	N652-E654 HydrophobicContact CB-CB 4.41Å; N652-E654 HydrophobicContact CB-CG 4.23Å; N652-E654 PolarHBondContact O-N 2.85Å; E654-K656 VanDerWaalsContact C-N 3.33Å; E654-F657 WeakPolarHBondContact O-CD2 3.42Å; E654-M683 HydrophobicContact CB-CE 4.11Å; E654-M683 HydrophobicContact CG-CE 3.59Å; E654-M683 HydrophobicContact CG-CG 3.65Å; E654-M683 HydrophobicContact CG-SD 3.92Å; E654-R719 IonicContact OE2-CZ 2.71Å; E654-R719 IonicContact OE2-NH1 2.72Å; E654-R719 IonicContact OE2-NH2 3.25Å; E654-R719 PolarHBondContact OE2-NH2 2.84Å; E654-M726 HydrophobicContact CB-SD 4.28Å
655	D	60.3	Low	79.5	Confident	47 Å²	47	71.4 Å²	71.4	25%	0.251	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-87.5	-8.9	-174.9	-59.4	-43	0	0	0	111.8	D651 N652 Y653 F657 R719	D651-D655 HydrophobicContact CB-CB 3.91Å; N652-D655 PolarHBondContact N-OD2 3.47Å; N652-D655 PolarHBondContact O-N 3.27Å; Y653-D655 VanDerWaalsContact C-N 3.3Å; Y653-D655 PolarHBondContact O-N 3.41Å; D655-F657 VanDerWaalsContact C-N 3.31Å; D655-F657 PolarHBondContact O-N 3.5Å; D655-R719 IonicContact OD1-CZ 3.75Å; D655-R719 IonicContact OD1-NE 2.67Å; D655-R719 IonicContact OD1-NH2 3.45Å; D655-R719 PolarHBondContact OD1-NH2 2.83Å
656	K	66.6	Low	79.5	Confident	142 Å²	142	76 Å²	76	62%	0.617	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-80.4	-7.8	176.8	-63	-176.4	179.4	177.4	0	113.9	Y653 E654 E658	Y653-K656 PolarHBondContact O-N 3.37Å; E654-K656 VanDerWaalsContact C-N 3.33Å; K656-E658 PolarHBondContact O-N 3.4Å
657	F	74.5	Confident	79.7	Confident	44 Å²	44	71.4 Å²	71.4	19%	0.193	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-81.2	118.7	-179.8	-66.7	-72.6	0	0	0	110.7	Y653 E654 D655 C663 L679 M683 Y716 M726	Y653-F657 WeakPolarHBondContact O-CD2 3.31Å; Y653-F657 VanDerWaalsContact O-CE2 3.22Å; Y653-F657 WeakPolarHBondContact O-CE2 3.13Å; E654-F657 WeakPolarHBondContact O-CD2 3.42Å; D655-F657 VanDerWaalsContact C-N 3.31Å; D655-F657 PolarHBondContact O-N 3.5Å; F657-C663 HydrophobicContact CD1-CB 4.4Å; F657-C663 WeakPolarHBondContact CD1-SG 3.22Å; F657-C663 HydrophobicContact CE1-CB 4.06Å; F657-C663 WeakPolarHBondContact CE1-SG 3.24Å; F657-L679 HydrophobicContact CE1-CB 4.3Å; F657-L679 HydrophobicContact CE2-CB 4.02Å; F657-L679 HydrophobicContact CE2-CD1 4.23Å; F657-L679 HydrophobicContact CZ-CB 3.58Å; F657-L679 HydrophobicContact CZ-CD1 4.29Å; F657-L679 HydrophobicContact CZ-CG 4.47Å; F657-M683 HydrophobicContact CE2-CE 3.96Å; F657-M683 HydrophobicContact CE2-SD 3.55Å; F657-M683 VanDerWaalsContact CE2-SD 3.55Å; F657-M683 HydrophobicContact CZ-SD 4.18Å; F657-Y716 HydrophobicContact CB-CD1 3.53Å; F657-Y716 HydrophobicContact CB-CE1 3.64Å; F657-Y716 HydrophobicContact CB-CG 4.01Å; F657-Y716 WeakPolarHBondContact O-CE1 3.27Å; F657-M726 HydrophobicContact CD2-CE 4.24Å
658	E	77.3	Confident	79.8	Confident	158 Å²	158	68.5 Å²	68.5	74%	0.738	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-76.1	140.7	173.4	-70	-174.7	167.7	0	0	110.9	K656 G660 S661 Y716	K656-E658 PolarHBondContact O-N 3.4Å; E658-G660 PolarHBondContact O-N 3.42Å; E658-S661 VanDerWaalsContact O-CB 3.24Å; E658-S661 WeakPolarHBondContact O-CB 3.35Å; E658-S661 PolarHBondContact O-N 2.91Å; E658-S661 PolarHBondContact O-OG 2.75Å; E658-Y716 WeakPolarHBondContact O-CD1 3.41Å
659	F	83.6	Confident	80.1	Confident	151 Å²	151	70.8 Å²	70.8	66%	0.662	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.8	175.6	-178.4	-84.1	0	0	0	110.4	S661 F717	F659-S661 VanDerWaalsContact C-N 3.34Å; F659-F717 WeakPolarHBondContact CD2-O 3.45Å; F659-F717 HydrophobicContact CE2-CB 4.12Å; F659-F717 HydrophobicContact CE2-CD1 4.11Å; F659-F717 WeakPolarHBondContact CE2-O 3.29Å; F659-F717 AromaticContact CZ-CD1 3.8Å; F659-F717 HydrophobicContact CZ-CD1 3.8Å
660	G	83.8	Confident	80.4	Confident	24 Å²	24	72 Å²	72	25%	0.247	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-5.4	-178.3	0	0	0	0	0	115	E658 K715 Y716	E658-G660 PolarHBondContact O-N 3.42Å; G660-K715 WeakPolarHBondContact O-CE 3.32Å; G660-Y716 WeakPolarHBondContact CA-O 3.17Å; G660-Y716 PolarHBondContact N-O 2.89Å
661	S	85.6	Confident	80.8	Confident	34 Å²	34	70.7 Å²	70.7	24%	0.238	35%	0.347	C	S	.	.			trans	-63	144.1	174.1	59.2	0	0	0	0	111.7	E658 F659 K715 Y716	E658-S661 VanDerWaalsContact O-CB 3.24Å; E658-S661 WeakPolarHBondContact O-CB 3.35Å; E658-S661 PolarHBondContact O-N 2.91Å; E658-S661 PolarHBondContact O-OG 2.75Å; F659-S661 VanDerWaalsContact C-N 3.34Å; S661-K715 WeakPolarHBondContact O-CA 3.47Å; S661-Y716 PolarHBondContact O-N 2.88Å
662	I	88.8	Confident	81.7	Confident	110 Å²	110	72.3 Å²	72.3	56%	0.564	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.3	174.9	-56	179.3	0	0	0	107.1	C713 V714 L733	I662-C713 HydrophobicContact CG2-CB 4.22Å; I662-V714 WeakPolarHBondContact CA-O 3.45Å; I662-L733 HydrophobicContact CD1-CD2 3.64Å; I662-L733 HydrophobicContact CG1-CD2 3.86Å; I662-L733 HydrophobicContact CG2-CD1 3.93Å; I662-L733 HydrophobicContact CG2-CD2 4.38Å
663	C	87.2	Confident	82.9	Confident	13 Å²	13	73.3 Å²	73.3	9%	0.088	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.4	-174.1	-53.7	0	0	0	0	110.2	F657 L679 V714	F657-C663 HydrophobicContact CD1-CB 4.4Å; F657-C663 WeakPolarHBondContact CD1-SG 3.22Å; F657-C663 HydrophobicContact CE1-CB 4.06Å; F657-C663 WeakPolarHBondContact CE1-SG 3.24Å; C663-L679 HydrophobicContact CB-CD2 3.56Å; C663-V714 PolarHBondContact N-O 2.78Å; C663-V714 PolarHBondContact O-N 3.4Å
664	T	89.6	Confident	84.2	Confident	80 Å²	80	69 Å²	69	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.9	168.6	-52.5	0	0	0	0	108.5	E711	T664-E711 HydrophobicContact CG2-CB 3.81Å; T664-E711 HydrophobicContact CG2-CG 4.23Å
665	A	91.1	Very high	85.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	179.3	0	0	0	0	0	109.7	V677 I678 L679 E711 I712 V714	A665-V677 HydrophobicContact CB-CB 3.79Å; A665-V677 HydrophobicContact CB-CG1 4.36Å; A665-V677 HydrophobicContact CB-CG2 4.02Å; A665-I678 CarbonylContact C-O 3.6Å; A665-I678 VanDerWaalsContact CA-O 3.28Å; A665-I678 WeakPolarHBondContact CA-O 3.43Å; A665-L679 HydrophobicContact CB-CD2 3.59Å; A665-L679 HydrophobicContact CB-CG 4.36Å; A665-E711 WeakPolarHBondContact O-CA 3.22Å; A665-I712 HydrophobicContact CB-CG1 4.39Å; A665-I712 PolarHBondContact N-O 2.78Å; A665-I712 WeakPolarHBondContact O-CG1 3.44Å; A665-I712 PolarHBondContact O-N 2.99Å; A665-V714 HydrophobicContact CB-CG1 4.29Å; A665-V714 HydrophobicContact CB-CG2 3.85Å
666	K	92.7	Very high	87.2	Confident	99 Å²	99	66 Å²	66	43%	0.43	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.7	176.3	-173.1	174.1	-177.1	172.7	0	109.8	T668 V677 I678 G709 E711	K666-T668 PolarHBondContact O-N 3.23Å; K666-V677 CarbonylContact O-C 3.49Å; K666-V677 WeakPolarHBondContact O-CA 3.45Å; K666-I678 HydrophobicContact CB-CG1 3.98Å; K666-I678 PolarHBondContact N-O 2.63Å; K666-I678 PolarHBondContact O-N 2.99Å; K666-G709 WeakPolarHBondContact CE-O 3.37Å; K666-E711 HydrophobicContact CB-CG 4.35Å; K666-E711 HydrophobicContact CG-CG 4.42Å
667	I	93.3	Very high	88.4	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.5	177.5	-62.6	172.3	0	0	0	109.2	L670 V675 V677 L706 G709 Q710 I712	I667-L670 HydrophobicContact CG2-CD2 3.94Å; I667-V675 HydrophobicContact CB-CG1 4.05Å; I667-V675 HydrophobicContact CD1-CG1 4.01Å; I667-V675 HydrophobicContact CG1-CG1 3.65Å; I667-V675 HydrophobicContact CG2-CG1 3.39Å; I667-V677 HydrophobicContact CG1-CG1 4.15Å; I667-L706 HydrophobicContact CD1-CB 3.98Å; I667-L706 HydrophobicContact CD1-CD2 3.98Å; I667-L706 HydrophobicContact CD1-CG 4.39Å; I667-G709 WeakPolarHBondContact O-CA 3.38Å; I667-G709 PolarHBondContact O-N 3.12Å; I667-Q710 HydrophobicContact CD1-CB 4.19Å; I667-Q710 WeakPolarHBondContact CG1-O 3.48Å; I667-Q710 PolarHBondContact N-O 2.89Å; I667-I712 HydrophobicContact CD1-CD1 4.19Å; I667-I712 HydrophobicContact CD1-CG1 4.47Å; I667-I712 HydrophobicContact CD1-CG2 3.91Å; I667-I712 HydrophobicContact CG1-CD1 4.15Å; I667-I712 HydrophobicContact CG1-CG1 4.27Å; I667-I712 HydrophobicContact CG1-CG2 4.49Å
668	T	91.3	Very high	89.2	Confident	54 Å²	54	58.6 Å²	58.6	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-34.1	176.2	54.8	0	0	0	0	112.9	K666 M676 I678 V708	K666-T668 PolarHBondContact O-N 3.23Å; T668-M676 PolarHBondContact N-O 2.83Å; T668-M676 WeakPolarHBondContact OG1-CB 3.49Å; T668-M676 PolarHBondContact OG1-O 2.85Å; T668-I678 HydrophobicContact CG2-CB 4.23Å; T668-I678 HydrophobicContact CG2-CD1 4.14Å; T668-I678 HydrophobicContact CG2-CG1 3.95Å; T668-I678 HydrophobicContact CG2-CG2 3.44Å; T668-I678 VanDerWaalsContact CG2-CG2 3.44Å; T668-V708 WeakPolarHBondContact O-CG1 3.32Å
669	E	92.4	Very high	89.6	Confident	82 Å²	82	52 Å²	52	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.4	-175.5	-164.3	-166.6	147.3	0	0	109.6	R671 M676	E669-R671 VanDerWaalsContact CD-NE 3.32Å; E669-R671 HydrophobicContact CG-CG 4.44Å; E669-R671 WeakPolarHBondContact OE1-CG 3.47Å; E669-R671 IonicContact OE1-CZ 3.19Å; E669-R671 IonicContact OE1-NE 3.1Å; E669-R671 PolarHBondContact OE1-NE 3.11Å; E669-R671 IonicContact OE1-NH2 3.41Å; E669-R671 IonicContact OE2-CZ 3.03Å; E669-R671 IonicContact OE2-NE 2.72Å; E669-R671 PolarHBondContact OE2-NE 2.81Å; E669-R671 IonicContact OE2-NH2 3.55Å; E669-R671 PolarHBondContact OE2-NH2 3.18Å; E669-M676 HydrophobicContact CB-CB 3.92Å; E669-M676 HydrophobicContact CB-CG 4.03Å; E669-M676 PolarHBondContact O-N 3.24Å
670	L	90.6	Very high	89.5	Confident	47 Å²	47	47.3 Å²	47.3	25%	0.246	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.4	170.6	-58.2	171.9	0	0	0	108.3	I667 V675 P701 L706 V708	I667-L670 HydrophobicContact CG2-CD2 3.94Å; L670-V675 HydrophobicContact CD2-CB 4.49Å; L670-V675 HydrophobicContact CD2-CG1 3.94Å; L670-V675 HydrophobicContact CD2-CG2 3.84Å; L670-P701 HydrophobicContact CD2-CB 3.9Å; L670-L706 VanDerWaalsContact CD1-O 3.32Å; L670-L706 WeakPolarHBondContact CD1-O 3.48Å; L670-L706 HydrophobicContact CD2-CB 4.28Å; L670-V708 HydrophobicContact CD1-CG2 4.34Å; L670-V708 HydrophobicContact CG-CG2 4.07Å
671	R	89.9	Confident	89.1	Confident	104 Å²	104	51.4 Å²	51.4	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	160.1	177.1	-64.6	-172.1	175.8	175.2	7.3	110.3	E669 N673 G674 M676 P701	E669-R671 VanDerWaalsContact CD-NE 3.32Å; E669-R671 HydrophobicContact CG-CG 4.44Å; E669-R671 WeakPolarHBondContact OE1-CG 3.47Å; E669-R671 IonicContact OE1-CZ 3.19Å; E669-R671 IonicContact OE1-NE 3.1Å; E669-R671 PolarHBondContact OE1-NE 3.11Å; E669-R671 IonicContact OE1-NH2 3.41Å; E669-R671 IonicContact OE2-CZ 3.03Å; E669-R671 IonicContact OE2-NE 2.72Å; E669-R671 PolarHBondContact OE2-NE 2.81Å; E669-R671 IonicContact OE2-NH2 3.55Å; E669-R671 PolarHBondContact OE2-NH2 3.18Å; R671-N673 WeakPolarHBondContact CB-OD1 3.39Å; R671-N673 PolarHBondContact O-N 2.98Å; R671-N673 VanDerWaalsContact O-N 3.13Å; R671-G674 CarbonylContact C-O 3.59Å; R671-G674 WeakPolarHBondContact CA-O 3.48Å; R671-G674 PolarHBondContact N-O 2.92Å; R671-G674 PolarHBondContact O-N 2.78Å; R671-M676 HydrophobicContact CG-CG 4.37Å; R671-P701 VanDerWaalsContact O-CD 3.22Å; R671-P701 WeakPolarHBondContact O-CD 3.46Å; R671-P701 VanDerWaalsContact O-CG 3.29Å; R671-P701 WeakPolarHBondContact O-CG 3.49Å
672	D	87.8	Confident	88.5	Confident	130 Å²	130	56.5 Å²	56.5	70%	0.695	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.3	178.3	-66.7	-32.8	0	0	0	112.9	N690 H700	D672-N690 PolarHBondContact O-ND2 2.8Å; D672-H700 IonicContact OD1-CD2 2.85Å; D672-H700 PolarHBondContact OD1-CD2 3.34Å; D672-H700 VanDerWaalsContact OD1-CD2 3.3Å; D672-H700 IonicContact OD1-NE2 3.52Å
673	N	89.9	Confident	87.9	Confident	93 Å²	93	51.9 Å²	51.9	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-3	-176.4	65.4	-7.7	0	0	0	114.9	R671 N690	R671-N673 WeakPolarHBondContact CB-OD1 3.39Å; R671-N673 PolarHBondContact O-N 2.98Å; R671-N673 VanDerWaalsContact O-N 3.13Å; N673-N690 PolarHBondContact O-N 2.83Å
674	G	91	Very high	87.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161	-169	-174.9	0	0	0	0	0	114	R671 L688 N690 P701	R671-G674 CarbonylContact C-O 3.59Å; R671-G674 WeakPolarHBondContact CA-O 3.48Å; R671-G674 PolarHBondContact N-O 2.92Å; R671-G674 PolarHBondContact O-N 2.78Å; G674-L688 CarbonylContact C-O 3.48Å; G674-L688 WeakPolarHBondContact CA-O 3.19Å; G674-N690 VanDerWaalsContact CA-OD1 3.24Å; G674-N690 WeakPolarHBondContact CA-OD1 3.41Å; G674-N690 PolarHBondContact N-OD1 3.31Å; G674-P701 WeakPolarHBondContact O-CG 3.49Å
675	V	92.4	Very high	87.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.2	179.7	-176	0	0	0	0	109.4	I667 L670 V677 L688 L693 P701 L706	I667-V675 HydrophobicContact CB-CG1 4.05Å; I667-V675 HydrophobicContact CD1-CG1 4.01Å; I667-V675 HydrophobicContact CG1-CG1 3.65Å; I667-V675 HydrophobicContact CG2-CG1 3.39Å; L670-V675 HydrophobicContact CD2-CB 4.49Å; L670-V675 HydrophobicContact CD2-CG1 3.94Å; L670-V675 HydrophobicContact CD2-CG2 3.84Å; V675-V677 HydrophobicContact CB-CG1 4.42Å; V675-V677 HydrophobicContact CG1-CG1 3.85Å; V675-L688 PolarHBondContact N-O 2.98Å; V675-L688 WeakPolarHBondContact O-CB 3.49Å; V675-L688 PolarHBondContact O-N 3.44Å; V675-L693 HydrophobicContact CB-CD2 4.21Å; V675-L693 HydrophobicContact CG2-CD1 3.83Å; V675-L693 HydrophobicContact CG2-CD2 3.8Å; V675-L693 HydrophobicContact CG2-CG 4.47Å; V675-P701 HydrophobicContact CG2-CB 3.41Å; V675-P701 VanDerWaalsContact CG2-CB 3.41Å; V675-P701 HydrophobicContact CG2-CG 3.63Å; V675-L706 HydrophobicContact CG2-CD1 4.02Å
676	M	92.7	Very high	87.2	Confident	19 Å²	19	57.7 Å²	57.7	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123	170	-59.5	-59.3	-61.8	0	0	108.4	T668 E669 R671 P685 V686 L687	T668-M676 PolarHBondContact N-O 2.83Å; T668-M676 WeakPolarHBondContact OG1-CB 3.49Å; T668-M676 PolarHBondContact OG1-O 2.85Å; E669-M676 HydrophobicContact CB-CB 3.92Å; E669-M676 HydrophobicContact CB-CG 4.03Å; E669-M676 PolarHBondContact O-N 3.24Å; R671-M676 HydrophobicContact CG-CG 4.37Å; M676-P685 HydrophobicContact CB-CB 4.06Å; M676-P685 HydrophobicContact CE-CB 3.64Å; M676-P685 WeakPolarHBondContact CE-O 3.48Å; M676-V686 WeakPolarHBondContact CA-O 3.46Å; M676-L687 HydrophobicContact CE-CB 4.45Å; M676-L687 HydrophobicContact SD-CB 3.73Å; M676-L687 HydrophobicContact SD-CD1 3.63Å; M676-L687 HydrophobicContact SD-CG 4.28Å
677	V	92.1	Very high	87.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.3	-179.1	-61.1	0	0	0	0	110.9	A665 K666 I667 V675 P685 V686 L688 I712 L728	A665-V677 HydrophobicContact CB-CB 3.79Å; A665-V677 HydrophobicContact CB-CG1 4.36Å; A665-V677 HydrophobicContact CB-CG2 4.02Å; K666-V677 CarbonylContact O-C 3.49Å; K666-V677 WeakPolarHBondContact O-CA 3.45Å; I667-V677 HydrophobicContact CG1-CG1 4.15Å; V675-V677 HydrophobicContact CB-CG1 4.42Å; V675-V677 HydrophobicContact CG1-CG1 3.85Å; V677-P685 WeakPolarHBondContact O-CA 3.25Å; V677-V686 WeakPolarHBondContact CG2-O 3.13Å; V677-V686 PolarHBondContact N-O 3.39Å; V677-V686 PolarHBondContact O-N 2.68Å; V677-L688 HydrophobicContact CG2-CB 4.4Å; V677-I712 HydrophobicContact CG1-CD1 4.01Å; V677-I712 HydrophobicContact CG1-CG1 4.47Å; V677-L728 HydrophobicContact CG2-CD1 3.73Å
678	I	89.9	Confident	87	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.159	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	169	68.2	171.4	0	0	0	108.9	A665 K666 T668 P685	A665-I678 CarbonylContact C-O 3.6Å; A665-I678 VanDerWaalsContact CA-O 3.28Å; A665-I678 WeakPolarHBondContact CA-O 3.43Å; K666-I678 HydrophobicContact CB-CG1 3.98Å; K666-I678 PolarHBondContact N-O 2.63Å; K666-I678 PolarHBondContact O-N 2.99Å; T668-I678 HydrophobicContact CG2-CB 4.23Å; T668-I678 HydrophobicContact CG2-CD1 4.14Å; T668-I678 HydrophobicContact CG2-CG1 3.95Å; T668-I678 HydrophobicContact CG2-CG2 3.44Å; T668-I678 VanDerWaalsContact CG2-CG2 3.44Å; I678-P685 HydrophobicContact CG2-CB 4.01Å; I678-P685 HydrophobicContact CG2-CG 3.81Å
679	L	85.6	Confident	87	Confident	20 Å²	20	55.5 Å²	55.5	11%	0.105	29%	0.286	C	S	.	.	S	Bend	trans	-92.2	-18.4	175.1	-64.6	161.7	0	0	0	112	F657 C663 A665 M683 V714 M726 L728	F657-L679 HydrophobicContact CE1-CB 4.3Å; F657-L679 HydrophobicContact CE2-CB 4.02Å; F657-L679 HydrophobicContact CE2-CD1 4.23Å; F657-L679 HydrophobicContact CZ-CB 3.58Å; F657-L679 HydrophobicContact CZ-CD1 4.29Å; F657-L679 HydrophobicContact CZ-CG 4.47Å; C663-L679 HydrophobicContact CB-CD2 3.56Å; A665-L679 HydrophobicContact CB-CD2 3.59Å; A665-L679 HydrophobicContact CB-CG 4.36Å; L679-M683 HydrophobicContact CB-CE 3.94Å; L679-M683 HydrophobicContact CB-SD 3.95Å; L679-M683 HydrophobicContact CD1-CE 3.95Å; L679-M683 HydrophobicContact CG-CE 4.44Å; L679-V714 HydrophobicContact CD2-CG2 3.73Å; L679-M726 HydrophobicContact CD1-CE 3.17Å; L679-M726 HydrophobicContact CD1-SD 4.44Å; L679-L728 HydrophobicContact CD1-CD1 4.04Å; L679-L728 HydrophobicContact CD1-CD2 3.94Å; L679-L728 HydrophobicContact CG-CD1 4.49Å
680	H	82.5	Confident	86.9	Confident	52 Å²	52	52.6 Å²	52.6	24%	0.241	27%	0.273	C	S	.	.	S	Bend	trans	-148.8	145.8	175.4	-170.9	-99.6	0	0	0	109	Y653 Q682 M683	Y653-H680 AromaticContact CD1-CD2 3.72Å; Y653-H680 AromaticContact CD1-CE1 3.39Å; Y653-H680 WeakPolarHBondContact CD1-CE1 3.22Å; Y653-H680 AromaticContact CD1-CG 3.83Å; Y653-H680 AromaticContact CD1-ND1 3.62Å; Y653-H680 AromaticContact CD1-NE2 3.47Å; Y653-H680 WeakPolarHBondContact CD1-NE2 3.3Å; Y653-H680 AromaticContact CD2-CE1 3.82Å; Y653-H680 AromaticContact CD2-ND1 3.75Å; Y653-H680 AromaticContact CE1-CE1 3.32Å; Y653-H680 WeakPolarHBondContact CE1-CE1 3.46Å; Y653-H680 AromaticContact CE1-NE2 3.38Å; Y653-H680 WeakPolarHBondContact CE1-NE2 3.47Å; Y653-H680 AromaticContact CE2-CE1 3.8Å; Y653-H680 AromaticContact CG-CE1 3.63Å; Y653-H680 AromaticContact CG-CG 3.88Å; Y653-H680 AromaticContact CG-ND1 3.46Å; Y653-H680 AromaticContact CZ-CE1 3.52Å; H680-Q682 PolarHBondContact ND1-N 2.98Å; H680-Q682 PolarHBondContact O-N 3.3Å; H680-M683 HydrophobicContact CB-CB 4.38Å; H680-M683 HydrophobicContact CB-CG 3.82Å; H680-M683 HydrophobicContact CB-SD 3.65Å; H680-M683 WeakPolarHBondContact O-CB 3.45Å; H680-M683 PolarHBondContact O-N 3.43Å
681	P	75.6	Confident	86.9	Confident	109 Å²	109	54 Å²	54	71%	0.708	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.4	-179.1	-28.3	36.2	0	0	0	115.3
682	Q	71.6	Confident	86.9	Confident	142 Å²	142	52.4 Å²	52.4	66%	0.664	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3	-179.6	-59.8	177.9	-5.3	0	0	113.3	Y653 H680	Y653-Q682 HydrophobicContact CD2-CB 4.39Å; H680-Q682 PolarHBondContact ND1-N 2.98Å; H680-Q682 PolarHBondContact O-N 3.3Å
683	M	76.4	Confident	87	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.059	25%	0.251	C	S	.	.	S	Bend	trans	-92.8	155	178.1	-75	176.1	57.7	0	0	112.4	E654 F657 L679 H680 M726	E654-M683 HydrophobicContact CB-CE 4.11Å; E654-M683 HydrophobicContact CG-CE 3.59Å; E654-M683 HydrophobicContact CG-CG 3.65Å; E654-M683 HydrophobicContact CG-SD 3.92Å; F657-M683 HydrophobicContact CE2-CE 3.96Å; F657-M683 HydrophobicContact CE2-SD 3.55Å; F657-M683 VanDerWaalsContact CE2-SD 3.55Å; F657-M683 HydrophobicContact CZ-SD 4.18Å; L679-M683 HydrophobicContact CB-CE 3.94Å; L679-M683 HydrophobicContact CB-SD 3.95Å; L679-M683 HydrophobicContact CD1-CE 3.95Å; L679-M683 HydrophobicContact CG-CE 4.44Å; H680-M683 HydrophobicContact CB-CB 4.38Å; H680-M683 HydrophobicContact CB-CG 3.82Å; H680-M683 HydrophobicContact CB-SD 3.65Å; H680-M683 WeakPolarHBondContact O-CB 3.45Å; H680-M683 PolarHBondContact O-N 3.43Å; M683-M726 HydrophobicContact CE-CE 3.93Å; M683-M726 HydrophobicContact CE-SD 3.54Å; M683-M726 VanDerWaalsContact CE-SD 3.54Å
684	Q	77.8	Confident	86.9	Confident	144 Å²	144	43 Å²	43	67%	0.673	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-70.5	143.7	168.7	-68.8	-63.4	-44.1	0	0	110.3	V686	Q684-V686 PolarHBondContact O-N 3.47Å
685	P	86.4	Confident	86.5	Confident	52 Å²	52	47.5 Å²	47.5	34%	0.338	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-59.2	128.1	173.8	-22.5	33	0	0	0	111.4	M676 V677 I678	M676-P685 HydrophobicContact CB-CB 4.06Å; M676-P685 HydrophobicContact CE-CB 3.64Å; M676-P685 WeakPolarHBondContact CE-O 3.48Å; V677-P685 WeakPolarHBondContact O-CA 3.25Å; I678-P685 HydrophobicContact CG2-CB 4.01Å; I678-P685 HydrophobicContact CG2-CG 3.81Å
686	V	88.3	Confident	86.1	Confident	20 Å²	20	57.2 Å²	57.2	12%	0.121	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.8	176.8	179.8	0	0	0	0	108.8	M676 V677 Q684 L688 M726 L728	M676-V686 WeakPolarHBondContact CA-O 3.46Å; V677-V686 WeakPolarHBondContact CG2-O 3.13Å; V677-V686 PolarHBondContact N-O 3.39Å; V677-V686 PolarHBondContact O-N 2.68Å; Q684-V686 PolarHBondContact O-N 3.47Å; V686-L688 PolarHBondContact O-N 2.82Å; V686-M726 HydrophobicContact CG1-CB 3.95Å; V686-M726 HydrophobicContact CG2-CB 4.14Å; V686-M726 HydrophobicContact CG2-SD 3.98Å; V686-L728 HydrophobicContact CB-CD1 3.93Å; V686-L728 HydrophobicContact CG1-CD1 3.68Å; V686-L728 HydrophobicContact CG1-CG 4.22Å
687	L	90.8	Very high	85.7	Confident	60 Å²	60	68.5 Å²	68.5	31%	0.314	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.1	174.7	-178.5	68	0	0	0	110.1	M676 P689	M676-L687 HydrophobicContact CE-CB 4.45Å; M676-L687 HydrophobicContact SD-CB 3.73Å; M676-L687 HydrophobicContact SD-CD1 3.63Å; M676-L687 HydrophobicContact SD-CG 4.28Å; L687-P689 WeakPolarHBondContact O-CD 3.42Å
688	L	92.4	Very high	85.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.2	165.4	-177.4	61.2	0	0	0	108.6	G674 V675 V677 V686 Q692 L693 I712 V714 L728 R730	G674-L688 CarbonylContact C-O 3.48Å; G674-L688 WeakPolarHBondContact CA-O 3.19Å; V675-L688 PolarHBondContact N-O 2.98Å; V675-L688 WeakPolarHBondContact O-CB 3.49Å; V675-L688 PolarHBondContact O-N 3.44Å; V677-L688 HydrophobicContact CG2-CB 4.4Å; V686-L688 PolarHBondContact O-N 2.82Å; L688-Q692 HydrophobicContact CD1-CB 3.85Å; L688-L693 HydrophobicContact CB-CD2 4.43Å; L688-L693 HydrophobicContact CD2-CD2 3.47Å; L688-L693 VanDerWaalsContact CD2-CD2 3.47Å; L688-L693 HydrophobicContact CG-CD2 3.73Å; L688-L693 HydrophobicContact CG-CG 4.43Å; L688-I712 HydrophobicContact CD2-CD1 4.08Å; L688-V714 HydrophobicContact CD2-CG1 3.82Å; L688-L728 HydrophobicContact CD1-CB 3.85Å; L688-L728 WeakPolarHBondContact CD1-O 3.33Å; L688-R730 HydrophobicContact CD2-CB 4.2Å
689	P	91.1	Very high	84.7	Confident	48 Å²	48	70.6 Å²	70.6	31%	0.312	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	151.4	-174	-20	32.1	0	0	0	112.4	L687 S691 Q692 L693	L687-P689 WeakPolarHBondContact O-CD 3.42Å; P689-S691 PolarHBondContact O-N 3.35Å; P689-Q692 WeakPolarHBondContact O-CA 3.47Å; P689-Q692 PolarHBondContact O-N 2.96Å; P689-L693 PolarHBondContact O-N 3.03Å
690	N	90.3	Very high	84.8	Confident	21 Å²	21	72.1 Å²	72.1	11%	0.112	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34.8	176.9	-76.9	-14.3	0	0	0	113.8	D672 N673 G674 Q692 L693 V698 G699	D672-N690 PolarHBondContact O-ND2 2.8Å; N673-N690 PolarHBondContact O-N 2.83Å; G674-N690 VanDerWaalsContact CA-OD1 3.24Å; G674-N690 WeakPolarHBondContact CA-OD1 3.41Å; G674-N690 PolarHBondContact N-OD1 3.31Å; N690-Q692 PolarHBondContact O-N 3.21Å; N690-L693 PolarHBondContact O-N 3.46Å; N690-L693 WeakPolarHBondContact OD1-CD1 3.46Å; N690-V698 HydrophobicContact CB-CB 4.2Å; N690-G699 PolarHBondContact ND2-O 3.47Å
691	S	89.7	Confident	84.9	Confident	78 Å²	78	69.7 Å²	69.7	55%	0.545	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16	177.8	59	0	0	0	0	114.4	P689 K731	P689-S691 PolarHBondContact O-N 3.35Å; S691-K731 WeakPolarHBondContact O-CD 3.5Å
692	Q	90.2	Very high	85.3	Confident	69 Å²	69	67.3 Å²	67.3	32%	0.322	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-112	1.5	-178.1	-59.8	-59.5	-30.9	0	0	113	L688 P689 N690 S729 R730 K731	L688-Q692 HydrophobicContact CD1-CB 3.85Å; P689-Q692 WeakPolarHBondContact O-CA 3.47Å; P689-Q692 PolarHBondContact O-N 2.96Å; N690-Q692 PolarHBondContact O-N 3.21Å; Q692-S729 PolarHBondContact OE1-OG 3.26Å; Q692-R730 PolarHBondContact O-N 3.18Å; Q692-K731 PolarHBondContact O-N 2.89Å
693	L	90	Very high	85.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-39.4	-179.7	-73.3	174.4	0	0	0	113.6	V675 L688 P689 N690 V698 P701 L704 L706 R730	V675-L693 HydrophobicContact CB-CD2 4.21Å; V675-L693 HydrophobicContact CG2-CD1 3.83Å; V675-L693 HydrophobicContact CG2-CD2 3.8Å; V675-L693 HydrophobicContact CG2-CG 4.47Å; L688-L693 HydrophobicContact CB-CD2 4.43Å; L688-L693 HydrophobicContact CD2-CD2 3.47Å; L688-L693 VanDerWaalsContact CD2-CD2 3.47Å; L688-L693 HydrophobicContact CG-CD2 3.73Å; L688-L693 HydrophobicContact CG-CG 4.43Å; P689-L693 PolarHBondContact O-N 3.03Å; N690-L693 PolarHBondContact O-N 3.46Å; N690-L693 WeakPolarHBondContact OD1-CD1 3.46Å; L693-V698 HydrophobicContact CB-CG2 4.28Å; L693-V698 HydrophobicContact CD1-CG1 4.29Å; L693-P701 HydrophobicContact CD1-CB 4.2Å; L693-P701 HydrophobicContact CD1-CG 4.15Å; L693-L704 HydrophobicContact CB-CD1 3.79Å; L693-L704 HydrophobicContact CD1-CD1 4.34Å; L693-L706 HydrophobicContact CD1-CD1 4.5Å; L693-L706 HydrophobicContact CD2-CD1 4.05Å; L693-R730 WeakPolarHBondContact O-CD 3.2Å; L693-R730 WeakPolarHBondContact O-CG 3.24Å; L693-R730 PolarHBondContact O-NH1 3.13Å
694	D	88	Confident	86.2	Confident	25 Å²	25	68.2 Å²	68.2	13%	0.134	35%	0.35	C	S	.	.			trans	-151.2	163.6	-174.1	-158.2	-85.7	0	0	0	111.7	R696 V698 L704 K731 Q734	D694-R696 VanDerWaalsContact C-N 3.29Å; D694-R696 PolarHBondContact OD1-N 3.09Å; D694-V698 HydrophobicContact CB-CG2 3.83Å; D694-L704 HydrophobicContact CB-CD1 3.89Å; D694-L704 HydrophobicContact CB-CD2 3.86Å; D694-K731 WeakPolarHBondContact O-CD 3.36Å; D694-Q734 VanDerWaalsContact CA-OE1 3.26Å; D694-Q734 PolarHBondContact OD2-NE2 3.08Å; D694-Q734 PolarHBondContact OD2-OE1 3.18Å
695	M	82.8	Confident	86.6	Confident	96 Å²	96	63.8 Å²	63.8	47%	0.473	34%	0.343	S	S	.	.	S	Bend	trans	-66.5	-31.9	172.1	-73.5	-67.4	-71.6	0	0	112.4	K731 Q734 Q735	M695-K731 HydrophobicContact CG-CG 4.26Å; M695-K731 HydrophobicContact SD-CD 4.23Å; M695-K731 WeakPolarHBondContact SD-CE 3.47Å; M695-K731 HydrophobicContact SD-CG 3.67Å; M695-Q734 HydrophobicContact CG-CB 4.41Å; M695-Q735 HydrophobicContact CE-CG 4.34Å; M695-Q735 HydrophobicContact SD-CG 3.96Å
696	R	84.2	Confident	86.6	Confident	204 Å²	204	61.5 Å²	61.5	77%	0.77	33%	0.328	S	S	*	.	S	Bend	trans	-77.6	156.6	176.1	-59.7	177.1	-172.7	176.2	3	110.6	D694 V698	D694-R696 VanDerWaalsContact C-N 3.29Å; D694-R696 PolarHBondContact OD1-N 3.09Å; R696-V698 PolarHBondContact O-N 3.35Å; R696-V698 VanDerWaalsContact O-N 3.16Å
697	R	82.9	Confident	86.6	Confident	255 Å²	255	67.3 Å²	67.3	96%	0.962	35%	0.354	S	S	*	.			trans	-71	111.6	173.7	-165.8	174.9	-174.7	-178.6	1	109.2
698	V	82.5	Confident	86.6	Confident	17 Å²	17	68.9 Å²	68.9	10%	0.103	37%	0.366	C	S	.	.			trans	-90.4	117.2	-179.6	-172.7	0	0	0	0	108.9	N690 L693 D694 R696 H700 L704	N690-V698 HydrophobicContact CB-CB 4.2Å; L693-V698 HydrophobicContact CB-CG2 4.28Å; L693-V698 HydrophobicContact CD1-CG1 4.29Å; D694-V698 HydrophobicContact CB-CG2 3.83Å; R696-V698 PolarHBondContact O-N 3.35Å; R696-V698 VanDerWaalsContact O-N 3.16Å; V698-H700 WeakPolarHBondContact CG1-O 3.44Å; V698-L704 HydrophobicContact CG1-CD1 3.99Å; V698-L704 HydrophobicContact CG1-CG 4.23Å; V698-L704 HydrophobicContact CG2-CD1 3.66Å; V698-L704 HydrophobicContact CG2-CD2 4.38Å; V698-L704 HydrophobicContact CG2-CG 4.17Å
699	G	80.2	Confident	86.3	Confident	58 Å²	58	70.6 Å²	70.6	60%	0.598	38%	0.383	S	S	*	.	S	Bend	trans	-76.7	-46.7	173.2	0	0	0	0	0	112.1	N690	N690-G699 PolarHBondContact ND2-O 3.47Å
700	H	87.8	Confident	86.3	Confident	53 Å²	53	71.9 Å²	71.9	25%	0.245	39%	0.385	C	S	.	.	S	Bend	trans	-141.1	142.1	175.3	-171.1	-86.8	0	0	0	109.6	D672 V698 S702 N703	D672-H700 IonicContact OD1-CD2 2.85Å; D672-H700 PolarHBondContact OD1-CD2 3.34Å; D672-H700 VanDerWaalsContact OD1-CD2 3.3Å; D672-H700 IonicContact OD1-NE2 3.52Å; V698-H700 WeakPolarHBondContact CG1-O 3.44Å; H700-S702 WeakPolarHBondContact ND1-CB 3.42Å; H700-S702 PolarHBondContact ND1-N 3.05Å; H700-S702 PolarHBondContact ND1-OG 3.32Å; H700-S702 PolarHBondContact O-N 3.16Å; H700-N703 WeakPolarHBondContact O-CB 3.28Å; H700-N703 PolarHBondContact O-N 2.99Å; H700-N703 VanDerWaalsContact O-N 3.08Å
701	P	84.5	Confident	86.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32.4	-177.5	-28.7	33.9	0	0	0	115.8	L670 R671 G674 V675 L693 N703 L704	L670-P701 HydrophobicContact CD2-CB 3.9Å; R671-P701 VanDerWaalsContact O-CD 3.22Å; R671-P701 WeakPolarHBondContact O-CD 3.46Å; R671-P701 VanDerWaalsContact O-CG 3.29Å; R671-P701 WeakPolarHBondContact O-CG 3.49Å; G674-P701 WeakPolarHBondContact O-CG 3.49Å; V675-P701 HydrophobicContact CG2-CB 3.41Å; V675-P701 VanDerWaalsContact CG2-CB 3.41Å; V675-P701 HydrophobicContact CG2-CG 3.63Å; L693-P701 HydrophobicContact CD1-CB 4.2Å; L693-P701 HydrophobicContact CD1-CG 4.15Å; P701-N703 PolarHBondContact O-N 3.21Å; P701-L704 WeakPolarHBondContact O-CB 3.5Å; P701-L704 PolarHBondContact O-N 2.9Å
702	S	83.5	Confident	86.4	Confident	59 Å²	59	73.8 Å²	73.8	41%	0.413	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60.3	-25	178.5	59.2	0	0	0	0	113.1	H700 L704 G705	H700-S702 WeakPolarHBondContact ND1-CB 3.42Å; H700-S702 PolarHBondContact ND1-N 3.05Å; H700-S702 PolarHBondContact ND1-OG 3.32Å; H700-S702 PolarHBondContact O-N 3.16Å; S702-L704 PolarHBondContact O-N 2.89Å; S702-L704 VanDerWaalsContact O-N 3.16Å; S702-G705 PolarHBondContact O-N 3.22Å
703	N	84.4	Confident	86.5	Confident	124 Å²	124	73.8 Å²	73.8	66%	0.663	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.2	-13.7	177.4	-64.1	-8.2	0	0	0	113	H700 P701	H700-N703 WeakPolarHBondContact O-CB 3.28Å; H700-N703 PolarHBondContact O-N 2.99Å; H700-N703 VanDerWaalsContact O-N 3.08Å; P701-N703 PolarHBondContact O-N 3.21Å
704	L	82.6	Confident	86.6	Confident	50 Å²	50	73.8 Å²	73.8	26%	0.262	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-96.3	5.8	175.1	-67.4	173.1	0	0	0	113.2	L693 D694 V698 P701 S702 L706	L693-L704 HydrophobicContact CB-CD1 3.79Å; L693-L704 HydrophobicContact CD1-CD1 4.34Å; D694-L704 HydrophobicContact CB-CD1 3.89Å; D694-L704 HydrophobicContact CB-CD2 3.86Å; V698-L704 HydrophobicContact CG1-CD1 3.99Å; V698-L704 HydrophobicContact CG1-CG 4.23Å; V698-L704 HydrophobicContact CG2-CD1 3.66Å; V698-L704 HydrophobicContact CG2-CD2 4.38Å; V698-L704 HydrophobicContact CG2-CG 4.17Å; P701-L704 WeakPolarHBondContact O-CB 3.5Å; P701-L704 PolarHBondContact O-N 2.9Å; S702-L704 PolarHBondContact O-N 2.89Å; S702-L704 VanDerWaalsContact O-N 3.16Å; L704-L706 HydrophobicContact CB-CD1 4.21Å; L704-L706 HydrophobicContact CB-CG 3.98Å; L704-L706 HydrophobicContact CD1-CD1 4.19Å; L704-L706 PolarHBondContact O-N 2.84Å
705	G	85.1	Confident	86.7	Confident	50 Å²	50	75.6 Å²	75.6	52%	0.515	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	28.5	-173.9	0	0	0	0	0	112.9	S702 Q710	S702-G705 PolarHBondContact O-N 3.22Å; G705-Q710 PolarHBondContact O-OE1 3.39Å
706	L	87.5	Confident	87.1	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.026	38%	0.378	C	S	.	.			trans	-84.4	125.9	175.8	-65.7	177.5	0	0	0	109.8	I667 L670 V675 L693 L704 Q710 I712	I667-L706 HydrophobicContact CD1-CB 3.98Å; I667-L706 HydrophobicContact CD1-CD2 3.98Å; I667-L706 HydrophobicContact CD1-CG 4.39Å; L670-L706 VanDerWaalsContact CD1-O 3.32Å; L670-L706 WeakPolarHBondContact CD1-O 3.48Å; L670-L706 HydrophobicContact CD2-CB 4.28Å; V675-L706 HydrophobicContact CG2-CD1 4.02Å; L693-L706 HydrophobicContact CD1-CD1 4.5Å; L693-L706 HydrophobicContact CD2-CD1 4.05Å; L704-L706 HydrophobicContact CB-CD1 4.21Å; L704-L706 HydrophobicContact CB-CG 3.98Å; L704-L706 HydrophobicContact CD1-CD1 4.19Å; L704-L706 PolarHBondContact O-N 2.84Å; L706-Q710 VanDerWaalsContact CA-OE1 3.32Å; L706-I712 HydrophobicContact CD2-CG2 3.82Å
707	E	88.8	Confident	87.2	Confident	141 Å²	141	64.6 Å²	64.6	66%	0.659	35%	0.353	S	S	*	.			trans	-115.1	152.4	-179.5	-65.8	-177.4	180	0	0	111.9	G709 Q710	E707-G709 PolarHBondContact O-N 3.05Å; E707-Q710 VanDerWaalsContact O-CB 3.24Å; E707-Q710 WeakPolarHBondContact O-CB 3.49Å; E707-Q710 PolarHBondContact O-N 2.92Å
708	V	89.8	Confident	87.3	Confident	94 Å²	94	53.1 Å²	53.1	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	130.3	173.6	177.3	0	0	0	0	109.4	T668 L670	T668-V708 WeakPolarHBondContact O-CG1 3.32Å; L670-V708 HydrophobicContact CD1-CG2 4.34Å; L670-V708 HydrophobicContact CG-CG2 4.07Å
709	G	87.1	Confident	87.1	Confident	35 Å²	35	55 Å²	55	36%	0.361	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-11.9	-176.5	0	0	0	0	0	114.6	K666 I667 E707	K666-G709 WeakPolarHBondContact CE-O 3.37Å; I667-G709 WeakPolarHBondContact O-CA 3.38Å; I667-G709 PolarHBondContact O-N 3.12Å; E707-G709 PolarHBondContact O-N 3.05Å
710	Q	91.1	Very high	87	Confident	76 Å²	76	54.7 Å²	54.7	36%	0.355	30%	0.304	S	S	.	.			trans	-69	140.5	176.8	-176.4	-179	5.7	0	0	111.4	I667 G705 L706 E707 I712	I667-Q710 HydrophobicContact CD1-CB 4.19Å; I667-Q710 WeakPolarHBondContact CG1-O 3.48Å; I667-Q710 PolarHBondContact N-O 2.89Å; G705-Q710 PolarHBondContact O-OE1 3.39Å; L706-Q710 VanDerWaalsContact CA-OE1 3.32Å; E707-Q710 VanDerWaalsContact O-CB 3.24Å; E707-Q710 WeakPolarHBondContact O-CB 3.49Å; E707-Q710 PolarHBondContact O-N 2.92Å; Q710-I712 HydrophobicContact CG-CG2 4.4Å
711	E	91.3	Very high	86.2	Confident	131 Å²	131	57.5 Å²	57.5	61%	0.612	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.6	173.5	-68.2	-176.2	176.8	0	0	110.7	T664 A665 K666	T664-E711 HydrophobicContact CG2-CB 3.81Å; T664-E711 HydrophobicContact CG2-CG 4.23Å; A665-E711 WeakPolarHBondContact O-CA 3.22Å; K666-E711 HydrophobicContact CB-CG 4.35Å; K666-E711 HydrophobicContact CG-CG 4.42Å
712	I	91	Very high	85.6	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.041	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.5	179	61.5	170.8	0	0	0	110.8	A665 I667 V677 L688 L706 Q710 V714	A665-I712 HydrophobicContact CB-CG1 4.39Å; A665-I712 PolarHBondContact N-O 2.78Å; A665-I712 WeakPolarHBondContact O-CG1 3.44Å; A665-I712 PolarHBondContact O-N 2.99Å; I667-I712 HydrophobicContact CD1-CD1 4.19Å; I667-I712 HydrophobicContact CD1-CG1 4.47Å; I667-I712 HydrophobicContact CD1-CG2 3.91Å; I667-I712 HydrophobicContact CG1-CD1 4.15Å; I667-I712 HydrophobicContact CG1-CG1 4.27Å; I667-I712 HydrophobicContact CG1-CG2 4.49Å; V677-I712 HydrophobicContact CG1-CD1 4.01Å; V677-I712 HydrophobicContact CG1-CG1 4.47Å; L688-I712 HydrophobicContact CD2-CD1 4.08Å; L706-I712 HydrophobicContact CD2-CG2 3.82Å; Q710-I712 HydrophobicContact CG-CG2 4.4Å; I712-V714 HydrophobicContact CD1-CG1 4.13Å; I712-V714 HydrophobicContact CG1-CG1 4.18Å
713	C	91.4	Very high	85.1	Confident	69 Å²	69	64.9 Å²	64.9	47%	0.466	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.8	171.5	-68.1	0	0	0	0	110.3	I662 L733	I662-C713 HydrophobicContact CG2-CB 4.22Å; C713-L733 HydrophobicContact CB-CD1 3.89Å; C713-L733 WeakPolarHBondContact O-CD1 3.24Å
714	V	92	Very high	84.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.6	175.3	-58.8	0	0	0	0	109.9	I662 C663 A665 L679 L688 I712 L728 R730	I662-V714 WeakPolarHBondContact CA-O 3.45Å; C663-V714 PolarHBondContact N-O 2.78Å; C663-V714 PolarHBondContact O-N 3.4Å; A665-V714 HydrophobicContact CB-CG1 4.29Å; A665-V714 HydrophobicContact CB-CG2 3.85Å; L679-V714 HydrophobicContact CD2-CG2 3.73Å; L688-V714 HydrophobicContact CD2-CG1 3.82Å; I712-V714 HydrophobicContact CD1-CG1 4.13Å; I712-V714 HydrophobicContact CG1-CG1 4.18Å; V714-L728 HydrophobicContact CG2-CD1 4.46Å; V714-L728 HydrophobicContact CG2-CD2 4.18Å; V714-R730 HydrophobicContact CG1-CB 4.35Å
715	K	91	Very high	84.4	Confident	62 Å²	62	63.7 Å²	63.7	27%	0.27	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.5	172.6	-165.1	169	-175.5	173.1	0	109.8	G660 S661 F717 L728 S729 V732 L733	G660-K715 WeakPolarHBondContact O-CE 3.32Å; S661-K715 WeakPolarHBondContact O-CA 3.47Å; K715-F717 HydrophobicContact CB-CE2 3.91Å; K715-F717 HydrophobicContact CB-CZ 4.45Å; K715-F717 HydrophobicContact CD-CE2 4.22Å; K715-F717 HydrophobicContact CD-CZ 3.9Å; K715-F717 HydrophobicContact CG-CE2 4.02Å; K715-F717 HydrophobicContact CG-CZ 4.17Å; K715-L728 WeakPolarHBondContact O-CA 3.22Å; K715-S729 PolarHBondContact N-O 2.99Å; K715-S729 PolarHBondContact O-N 2.81Å; K715-V732 HydrophobicContact CD-CG1 4.21Å; K715-L733 HydrophobicContact CB-CD2 3.98Å; K715-L733 HydrophobicContact CB-CG 4.19Å; K715-L733 HydrophobicContact CD-CD2 4.28Å
716	Y	89.7	Confident	84.4	Confident	13 Å²	13	62 Å²	62	5%	0.051	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.4	176.4	177.3	-117	0	0	0	111.4	F657 E658 G660 S661 G718 M726 L728	F657-Y716 HydrophobicContact CB-CD1 3.53Å; F657-Y716 HydrophobicContact CB-CE1 3.64Å; F657-Y716 HydrophobicContact CB-CG 4.01Å; F657-Y716 WeakPolarHBondContact O-CE1 3.27Å; E658-Y716 WeakPolarHBondContact O-CD1 3.41Å; G660-Y716 WeakPolarHBondContact CA-O 3.17Å; G660-Y716 PolarHBondContact N-O 2.89Å; S661-Y716 PolarHBondContact O-N 2.88Å; Y716-G718 WeakPolarHBondContact CE2-O 3.29Å; Y716-G718 WeakPolarHBondContact OH-CA 3.34Å; Y716-M726 HydrophobicContact CD2-CE 3.72Å; Y716-M726 HydrophobicContact CE2-CB 4.13Å; Y716-M726 HydrophobicContact CE2-CE 3.52Å; Y716-M726 HydrophobicContact CE2-CG 3.99Å; Y716-L728 HydrophobicContact CD2-CD2 3.78Å; Y716-L728 HydrophobicContact CG-CD2 4.48Å
717	F	87.7	Confident	84.4	Confident	57 Å²	57	68.5 Å²	68.5	25%	0.25	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	28.4	-178.4	-75	-81.8	0	0	0	112.5	F659 K715 R727 V732	F659-F717 WeakPolarHBondContact CD2-O 3.45Å; F659-F717 HydrophobicContact CE2-CB 4.12Å; F659-F717 HydrophobicContact CE2-CD1 4.11Å; F659-F717 WeakPolarHBondContact CE2-O 3.29Å; F659-F717 AromaticContact CZ-CD1 3.8Å; F659-F717 HydrophobicContact CZ-CD1 3.8Å; K715-F717 HydrophobicContact CB-CE2 3.91Å; K715-F717 HydrophobicContact CB-CZ 4.45Å; K715-F717 HydrophobicContact CD-CE2 4.22Å; K715-F717 HydrophobicContact CD-CZ 3.9Å; K715-F717 HydrophobicContact CG-CE2 4.02Å; K715-F717 HydrophobicContact CG-CZ 4.17Å; F717-R727 HydrophobicContact CB-CB 3.97Å; F717-R727 PolarHBondContact N-O 2.85Å; F717-V732 HydrophobicContact CE2-CB 4.39Å; F717-V732 HydrophobicContact CE2-CG2 4.06Å; F717-V732 HydrophobicContact CZ-CB 4.18Å; F717-V732 HydrophobicContact CZ-CG1 4.1Å; F717-V732 HydrophobicContact CZ-CG2 3.85Å
718	G	84.6	Confident	84.5	Confident	13 Å²	13	62.1 Å²	62.1	13%	0.134	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77	-164.2	-177.8	0	0	0	0	0	112.9	Y716 R727	Y716-G718 WeakPolarHBondContact CE2-O 3.29Å; Y716-G718 WeakPolarHBondContact OH-CA 3.34Å; G718-R727 PolarHBondContact O-N 3.2Å
719	R	77.8	Confident	84.6	Confident	58 Å²	58	57.8 Å²	57.8	22%	0.219	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.8	176.5	-64.5	177.7	-177.1	-114.9	6.6	110.4	S596 E654 D655 G724 H725 M726	S596-R719 VanDerWaalsContact CB-CD 3.5Å; E654-R719 IonicContact OE2-CZ 2.71Å; E654-R719 IonicContact OE2-NH1 2.72Å; E654-R719 IonicContact OE2-NH2 3.25Å; E654-R719 PolarHBondContact OE2-NH2 2.84Å; D655-R719 IonicContact OD1-CZ 3.75Å; D655-R719 IonicContact OD1-NE 2.67Å; D655-R719 IonicContact OD1-NH2 3.45Å; D655-R719 PolarHBondContact OD1-NH2 2.83Å; R719-G724 PolarHBondContact NH1-O 3.31Å; R719-H725 CarbonylContact C-O 3.5Å; R719-H725 VanDerWaalsContact CA-O 3.31Å; R719-H725 WeakPolarHBondContact CA-O 3.45Å; R719-M726 HydrophobicContact CG-CG 4.3Å
720	D	78.5	Confident	84.7	Confident	50 Å²	50	58.6 Å²	58.6	27%	0.267	30%	0.301	S	S	.	.			trans	-64.5	128.3	168.1	-176.5	-65.8	0	0	0	109.6	V722 T723 G724 H725	D720-V722 PolarHBondContact O-N 2.88Å; D720-V722 WeakPolarHBondContact OD1-CA 3.38Å; D720-V722 WeakPolarHBondContact OD1-CB 3.38Å; D720-V722 PolarHBondContact OD1-N 2.98Å; D720-T723 VanDerWaalsContact CB-OG1 3.3Å; D720-T723 WeakPolarHBondContact CB-OG1 3.47Å; D720-T723 VanDerWaalsContact CG-OG1 3.31Å; D720-T723 PolarHBondContact OD1-N 2.83Å; D720-T723 PolarHBondContact OD1-OG1 3.41Å; D720-G724 VanDerWaalsContact O-CA 3.27Å; D720-G724 WeakPolarHBondContact O-CA 3.44Å; D720-G724 PolarHBondContact O-N 3.3Å; D720-H725 PolarHBondContact N-O 2.87Å
721	P	70.9	Confident	84.6	Confident	112 Å²	112	58.1 Å²	58.1	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18	-174.4	26	-32.9	0	0	0	114.1
722	V	71.6	Confident	84.4	Confident	133 Å²	133	54.3 Å²	54.3	81%	0.806	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-48.7	179.6	-178.4	0	0	0	0	110.6	D720	D720-V722 PolarHBondContact O-N 2.88Å; D720-V722 WeakPolarHBondContact OD1-CA 3.38Å; D720-V722 WeakPolarHBondContact OD1-CB 3.38Å; D720-V722 PolarHBondContact OD1-N 2.98Å
723	T	73.8	Confident	84	Confident	82 Å²	82	56.7 Å²	56.7	50%	0.503	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-18.4	-172	63.6	0	0	0	0	113.8	D720 H725	D720-T723 VanDerWaalsContact CB-OG1 3.3Å; D720-T723 WeakPolarHBondContact CB-OG1 3.47Å; D720-T723 VanDerWaalsContact CG-OG1 3.31Å; D720-T723 PolarHBondContact OD1-N 2.83Å; D720-T723 PolarHBondContact OD1-OG1 3.41Å; T723-H725 PolarHBondContact O-N 3.24Å; T723-H725 PolarHBondContact OG1-CD2 3.16Å
724	G	71.9	Confident	83.4	Confident	14 Å²	14	56.8 Å²	56.8	14%	0.144	29%	0.29	C	S	.	.			trans	74.5	-0.9	-176.8	0	0	0	0	0	114.9	R719 D720	R719-G724 PolarHBondContact NH1-O 3.31Å; D720-G724 VanDerWaalsContact O-CA 3.27Å; D720-G724 WeakPolarHBondContact O-CA 3.44Å; D720-G724 PolarHBondContact O-N 3.3Å
725	H	79.3	Confident	82.1	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.625	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-71.2	143.4	179.1	-69.2	-57.6	0	0	0	112.2	R719 D720 T723	R719-H725 CarbonylContact C-O 3.5Å; R719-H725 VanDerWaalsContact CA-O 3.31Å; R719-H725 WeakPolarHBondContact CA-O 3.45Å; D720-H725 PolarHBondContact N-O 2.87Å; T723-H725 PolarHBondContact O-N 3.24Å; T723-H725 PolarHBondContact OG1-CD2 3.16Å
726	M	85.1	Confident	79.8	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.069	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.3	176.7	-72.2	178.9	61.2	0	0	111.7	E654 F657 L679 M683 V686 Y716 R719 L728	E654-M726 HydrophobicContact CB-SD 4.28Å; F657-M726 HydrophobicContact CD2-CE 4.24Å; L679-M726 HydrophobicContact CD1-CE 3.17Å; L679-M726 HydrophobicContact CD1-SD 4.44Å; M683-M726 HydrophobicContact CE-CE 3.93Å; M683-M726 HydrophobicContact CE-SD 3.54Å; M683-M726 VanDerWaalsContact CE-SD 3.54Å; V686-M726 HydrophobicContact CG1-CB 3.95Å; V686-M726 HydrophobicContact CG2-CB 4.14Å; V686-M726 HydrophobicContact CG2-SD 3.98Å; Y716-M726 HydrophobicContact CD2-CE 3.72Å; Y716-M726 HydrophobicContact CE2-CB 4.13Å; Y716-M726 HydrophobicContact CE2-CE 3.52Å; Y716-M726 HydrophobicContact CE2-CG 3.99Å; R719-M726 HydrophobicContact CG-CG 4.3Å; M726-L728 HydrophobicContact CE-CD2 4.25Å
727	R	87.3	Confident	77.4	Confident	141 Å²	141	72 Å²	72	53%	0.532	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116	176.8	-63.3	179	65.6	-175.9	0.1	109.3	F717 G718	F717-R727 HydrophobicContact CB-CB 3.97Å; F717-R727 PolarHBondContact N-O 2.85Å; G718-R727 PolarHBondContact O-N 3.2Å
728	L	91.7	Very high	74.8	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.042	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.3	-179.7	-59	175.9	0	0	0	110.3	V677 L679 V686 L688 V714 K715 Y716 M726	V677-L728 HydrophobicContact CG2-CD1 3.73Å; L679-L728 HydrophobicContact CD1-CD1 4.04Å; L679-L728 HydrophobicContact CD1-CD2 3.94Å; L679-L728 HydrophobicContact CG-CD1 4.49Å; V686-L728 HydrophobicContact CB-CD1 3.93Å; V686-L728 HydrophobicContact CG1-CD1 3.68Å; V686-L728 HydrophobicContact CG1-CG 4.22Å; L688-L728 HydrophobicContact CD1-CB 3.85Å; L688-L728 WeakPolarHBondContact CD1-O 3.33Å; V714-L728 HydrophobicContact CG2-CD1 4.46Å; V714-L728 HydrophobicContact CG2-CD2 4.18Å; K715-L728 WeakPolarHBondContact O-CA 3.22Å; Y716-L728 HydrophobicContact CD2-CD2 3.78Å; Y716-L728 HydrophobicContact CG-CD2 4.48Å; M726-L728 HydrophobicContact CE-CD2 4.25Å
729	S	91.5	Very high	72.3	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.014	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130	170.4	-168.5	0	0	0	0	112.5	Q692 K715 K731	Q692-S729 PolarHBondContact OE1-OG 3.26Å; K715-S729 PolarHBondContact N-O 2.99Å; K715-S729 PolarHBondContact O-N 2.81Å; S729-K731 PolarHBondContact OG-N 2.8Å
730	R	90.4	Very high	70.2	Confident	52 Å²	52	82.8 Å²	82.8	20%	0.196	47%	0.467	C	S	.	.	S	Bend	trans	-90.1	-33.5	167.6	178.9	173	174.6	-110.8	10.9	111.2	L688 Q692 L693 V714 V732 L733	L688-R730 HydrophobicContact CD2-CB 4.2Å; Q692-R730 PolarHBondContact O-N 3.18Å; L693-R730 WeakPolarHBondContact O-CD 3.2Å; L693-R730 WeakPolarHBondContact O-CG 3.24Å; L693-R730 PolarHBondContact O-NH1 3.13Å; V714-R730 HydrophobicContact CG1-CB 4.35Å; R730-V732 PolarHBondContact O-N 3.16Å; R730-L733 WeakPolarHBondContact O-CB 3.32Å; R730-L733 PolarHBondContact O-N 3.18Å
731	K	89.3	Confident	68.1	Low	66 Å²	66	90.9 Å²	90.9	29%	0.287	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-51.9	-40.9	179.9	177.3	178.2	178.2	173	0	112.9	S691 Q692 D694 M695 S729 L733 Q734	S691-K731 WeakPolarHBondContact O-CD 3.5Å; Q692-K731 PolarHBondContact O-N 2.89Å; D694-K731 WeakPolarHBondContact O-CD 3.36Å; M695-K731 HydrophobicContact CG-CG 4.26Å; M695-K731 HydrophobicContact SD-CD 4.23Å; M695-K731 WeakPolarHBondContact SD-CE 3.47Å; M695-K731 HydrophobicContact SD-CG 3.67Å; S729-K731 PolarHBondContact OG-N 2.8Å; K731-L733 VanDerWaalsContact C-N 3.25Å; K731-L733 PolarHBondContact O-N 2.87Å; K731-Q734 PolarHBondContact O-N 2.81Å; K731-Q734 VanDerWaalsContact O-N 3.16Å
732	V	85.3	Confident	66.3	Low	51 Å²	51	94 Å²	94	31%	0.309	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-66.4	-28.1	-179	179.9	0	0	0	0	112.3	K715 F717 R730 Q734 Q735	K715-V732 HydrophobicContact CD-CG1 4.21Å; F717-V732 HydrophobicContact CE2-CB 4.39Å; F717-V732 HydrophobicContact CE2-CG2 4.06Å; F717-V732 HydrophobicContact CZ-CB 4.18Å; F717-V732 HydrophobicContact CZ-CG1 4.1Å; F717-V732 HydrophobicContact CZ-CG2 3.85Å; R730-V732 PolarHBondContact O-N 3.16Å; V732-Q734 VanDerWaalsContact C-N 3.26Å; V732-Q734 PolarHBondContact O-N 3.06Å; V732-Q735 PolarHBondContact O-N 2.76Å
733	L	83.5	Confident	64.5	Low	58 Å²	58	94.4 Å²	94.4	30%	0.304	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-76.6	-14.4	177.5	-59.6	179.4	0	0	0	113.3	I662 C713 K715 R730 K731	I662-L733 HydrophobicContact CD1-CD2 3.64Å; I662-L733 HydrophobicContact CG1-CD2 3.86Å; I662-L733 HydrophobicContact CG2-CD1 3.93Å; I662-L733 HydrophobicContact CG2-CD2 4.38Å; C713-L733 HydrophobicContact CB-CD1 3.89Å; C713-L733 WeakPolarHBondContact O-CD1 3.24Å; K715-L733 HydrophobicContact CB-CD2 3.98Å; K715-L733 HydrophobicContact CB-CG 4.19Å; K715-L733 HydrophobicContact CD-CD2 4.28Å; R730-L733 WeakPolarHBondContact O-CB 3.32Å; R730-L733 PolarHBondContact O-N 3.18Å; K731-L733 VanDerWaalsContact C-N 3.25Å; K731-L733 PolarHBondContact O-N 2.87Å
734	Q	79.5	Confident	62.5	Low	71 Å²	71	97.8 Å²	97.8	33%	0.332	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-90.4	-6.7	178.4	-61.6	177.9	-22.7	0	0	112.6	D694 M695 K731 V732 A736	D694-Q734 VanDerWaalsContact CA-OE1 3.26Å; D694-Q734 PolarHBondContact OD2-NE2 3.08Å; D694-Q734 PolarHBondContact OD2-OE1 3.18Å; M695-Q734 HydrophobicContact CG-CB 4.41Å; K731-Q734 PolarHBondContact O-N 2.81Å; K731-Q734 VanDerWaalsContact O-N 3.16Å; V732-Q734 VanDerWaalsContact C-N 3.26Å; V732-Q734 PolarHBondContact O-N 3.06Å; Q734-A736 PolarHBondContact O-N 3.22Å
735	Q	64.7	Low	60.5	Low	114 Å²	114	107.2 Å²	107.2	53%	0.533	55%	0.547	S	S	.	.	S	Bend	trans	-80.1	107.5	169.4	-69.3	-175.3	-10.5	0	0	108	M695 V732 E737	M695-Q735 HydrophobicContact CE-CG 4.34Å; M695-Q735 HydrophobicContact SD-CG 3.96Å; V732-Q735 PolarHBondContact O-N 2.76Å; Q735-E737 PolarHBondContact O-N 3.3Å; Q735-E737 VanDerWaalsContact O-N 3.09Å
736	A	41.7	Very low	58.4	Low	105 Å²	105	105.7 Å²	105.7	87%	0.868	56%	0.559	S	S	*	*			trans	-65.3	106.3	170.3	0	0	0	0	0	109.2	Q734	Q734-A736 PolarHBondContact O-N 3.22Å
737	E	39.6	Very low	55.9	Low	177 Å²	177	110.5 Å²	110.5	83%	0.827	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-83.2	144.6	154.6	-83.3	-168.4	162.6	0	0	109.3	Q735	Q735-E737 PolarHBondContact O-N 3.3Å; Q735-E737 VanDerWaalsContact O-N 3.09Å
738	P	33.1	Very low	53.5	Low	121 Å²	121	113.4 Å²	113.4	79%	0.786	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-64.6	141.8	-175.4	28.8	-33.3	0	0	0	110.5	T740	P738-T740 PolarHBondContact O-N 3.45Å
739	A	32.8	Very low	50.7	Low	100 Å²	100	120.3 Å²	120.3	83%	0.826	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.4	121	-168.7	0	0	0	0	0	114.6
740	T	32.9	Very low	48.1	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	69%	0.692	S	S	*	*			trans	-130.1	90.4	145.7	10	0	0	0	0	108.1	P738 H742	P738-T740 PolarHBondContact O-N 3.45Å; T740-H742 PolarHBondContact O-N 3.18Å
741	R	33.9	Very low	45.3	Very low	221 Å²	221	133.2 Å²	133.2	83%	0.834	72%	0.718	S	S	*	*			trans	-71.4	112.4	163.3	-89.9	-175.9	172.7	160.7	-3.2	107.7	D743	R741-D743 PolarHBondContact O-N 3.37Å
742	H	32.7	Very low	42.8	Very low	177 Å²	177	136.1 Å²	136.1	82%	0.819	75%	0.747	S	S	*	*			trans	-83	97.3	156.2	-93.4	-78.4	0	0	0	107.8	T740 L744	T740-H742 PolarHBondContact O-N 3.18Å; H742-L744 PolarHBondContact O-N 3.05Å
743	D	34.1	Very low	40.4	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	77%	0.772	S	S	*	*			trans	-75.4	100	166.9	-79.7	-24	0	0	0	108.8	R741 F745	R741-D743 PolarHBondContact O-N 3.37Å; D743-F745 PolarHBondContact O-N 3.38Å
744	L	31.5	Very low	38.5	Very low	153 Å²	153	142.2 Å²	142.2	80%	0.801	78%	0.783	S	S	*	*			trans	-83	98.2	159.6	-79.9	156.8	0	0	0	106.8	H742	H742-L744 PolarHBondContact O-N 3.05Å
745	F	31.2	Very low	36.4	Very low	212 Å²	212	150.7 Å²	150.7	93%	0.93	81%	0.812	S	S	*	*			trans	161.7	86.7	147.1	-88.5	-67.1	0	0	0	110.5	D743	D743-F745 PolarHBondContact O-N 3.38Å
746	A	34.3	Very low	35	Very low	104 Å²	104	152.2 Å²	152.2	86%	0.86	82%	0.822	S	S	*	*			trans	-160.1	98.4	150.7	0	0	0	0	0	110.4
747	S	34	Very low	34.9	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	82%	0.815	S	S	*	*			trans	-73.2	133.8	167.3	61.4	0	0	0	0	111
748	K	36.7	Very low	34.9	Very low	201 Å²	201	148.7 Å²	148.7	87%	0.874	81%	0.81	S	S	*	*			trans	-174.4	99.3	133.2	-104.4	170.1	-175.2	178.5	0	112.2
749	N	32	Very low	35.1	Very low	154 Å²	154	151.8 Å²	151.8	82%	0.824	82%	0.815	S	S	*	*				37.3	105.8	119.9	-146.8	10.5	0	0	0	118.1
750	R	36.8	Very low	35.3	Very low	251 Å²	251	150.7 Å²	150.7	95%	0.947	81%	0.812	S	S	*	*			trans	-173.5	130.2	131.7	-101.2	170.9	-169.6	-162.6	3	110
751	G	31.4	Very low	35.8	Very low	73 Å²	73	152.5 Å²	152.5	75%	0.753	82%	0.817	S	S	*	*			trans	-89.5	172.4	-164.7	0	0	0	0	0	116.7
752	S	36.9	Very low	36	Very low	127 Å²	127	146.5 Å²	146.5	89%	0.888	82%	0.815	S	S	*	*			trans	-179.1	135.6	131.8	31	0	0	0	0	109.1
753	N	35.3	Very low	36.4	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	81%	0.811	S	S	*	*			trans	-81.7	-170.5	-175.9	-133	12.5	0	0	0	110
754	P	43.1	Very low	36.7	Very low	82 Å²	82	146.4 Å²	146.4	53%	0.532	84%	0.837	S	S	.	*				-132.2	163.5	-60.6	32.7	-13.6	0	0	0	113.1
755	W	35.6	Very low	37	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.939	84%	0.839	S	S	*	*			trans	-146.6	109.1	158.1	-75.1	87.9	0	0	0	106.4
756	I	35.7	Very low	37.3	Very low	147 Å²	147	142.6 Å²	142.6	75%	0.754	84%	0.835	S	S	*	*				50.8	96.8	70.2	-54.5	-178.3	0	0	0	113.8
757	S	39.7	Very low	37.4	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	83%	0.833	S	S	*	*			trans	-170.2	104.2	130.2	41.5	0	0	0	0	107
758	S	38.6	Very low	37.6	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	84%	0.835	S	S	*	*				61.6	125.2	98.3	67	0	0	0	0	113.1
759	Q	38.8	Very low	37.7	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	83%	0.832	S	S	*	*			cis	-159.3	148.4	8.3	-96.6	166.7	0.3	0	0	105.1
760	G	36.7	Very low	38.1	Very low	76 Å²	76	142.4 Å²	142.4	78%	0.784	83%	0.833	S	S	*	*				63	125.4	93.2	0	0	0	0	0	111.5
761	N	42.3	Very low	38.2	Very low	170 Å²	170	134.6 Å²	134.6	91%	0.909	83%	0.825	S	S	*	*			cis	-168.3	152.6	29	-154.5	13.6	0	0	0	108.9
762	A	38.6	Very low	38.7	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	83%	0.83	S	S	*	*			trans	-85	152.7	169.6	0	0	0	0	0	110.8
763	G	40.7	Very low	38.8	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	83%	0.826	S	S	*	*			trans	132.4	79.9	161.4	0	0	0	0	0	115.1
764	D	41.1	Very low	39.2	Very low	246 Å²	246	139 Å²	139	100%	1.316	83%	0.825	S	S	*	*				-171.5	0	125.5	-98.3	-11.9	0	0	0	109.8

Retrieved 764 of 764 residues in 1209.7 ms (Link to these results)

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