A0A3Q0KS88_SCHMA Loading...

Excision repair helicase ercc-6-related

AlphaFold DB , UniProt , Accession A0A3Q0KS88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,324 aa.

						>A0A3Q0KS88_SCHMA|A0A3Q0KS88
MSQENEFSSLVTQARLKCEEGNFHESLKLCQDAYAINPSSSLMRKIVRLQNLICQDTKENIPIAPKQSDNPLKEAAKYSVCESEKYVSPGNITDSTNLLKEAYLCVPSAEIESNIGQIKPAYPATYTSRTSNTKETSGKEKLYDGIQFALIDKAKLLYQSGDYVECLRLLKKAYNLKQCDKVKRKIERIENYLNENGIPVDHYDHELHTNNDTAVDHDDEKQPPKLTDDLVEIADGFSVPKLLYDKLYDYQKYGVKWLWSLHQRNSGGILADDMGLGKTVQVIAFLSGLFVSSKFSCTVLIVMPVSVLVTWEAELKRWAPGLRVIVFHDNSRADRLKSLVSVQRHGGILLTTYGTLVSSIRDLSTDLNANPEFLRSYKKQKSTDNDASDILARMGKEFHWTYLILDEGHKVKNSSAKTTKAAQAIYADHCILLTGTAVQNNLKELWSLYNVTHRGRLLGTQKTFSIEYDKPITRGRERDATRAEKVHGQLMAESLRRIIDPYFLRRTKSEVLSKQYNMNAVVPMKDKMPRKTEIVLWVYLSSIQESTYRDFLQLDNVKELLMQRTKRSPLMELVILKKLCDHPRLLSTEQCLNLNLNYDDGNSKGDNFHINEIVSHKIHFPPSEQLIKESGKFLFLHCLMKQFLLELQSNPQRDSPRTLIFSQSIKFLDMAEKVILDIKCPVNNHTFGDDNIHYPTQHRILRLDGRTAKVCDRLSIINKFQNDKSYTVMLLTTQVGGVGLTITSANRVIILDPSWNPAVDSQAVDRAYRIGQKLDVVVYRLITCATVEEKIYRRQIFKDSVIRQTTSTGQNKTDLDPYRYFSRQELVELFSLGDTRISETKRQLDMLHDGSDRWSDSSISPHLKFLSSDALKHVVYGLSFHDLMFSKESINDGAIDTDHEKLYVMNRCVAAERAIAEECAAEGRVIGKEMPAVTMIQAESTVKSLPTHLANLTLQNKLPPSSYHNHDSRFTNHVPLNQLFKPSRSDTHRPMFNRPVTSFNNPHTNIIHTSSNIKHLGNNISPNSSVPLAFTTAEHQSVDRSSPVNTDRVNRPLSPKLGRQLQDVTEVVEVRQKYDNESLEIRNSPSDNLSDNECIDTPSSAPVADIECITIEDSIAQSLREISITQKTPSRSHDNEKSDKESNILKTPLHHFRTSLNSRSSFAPFNSNFYRSTPLSSRKSTKIPPKEHFEQCGQELNEDLGDVKSPTDFDPAQNYIHMDISMDINEDDLANTVNMKSIQQVLAKSGILNVTDSNNINETEEGEPMSDSIEIHKSPNHQELNSVSEENAFTKSLSDSEVAVDSYISHQSVEKTHIDDTDIIESSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.9	Very low	82.3	Confident	200 Å²	200	88.4 Å²	88.4	99%	0.985	46%	0.464	S	S	*	.				0	157.4	0	-70.3	162.1	67.3	0	0	107.5	N5	M1-N5 HydrophobicContact CB-CB 4.39Å; M1-N5 HydrophobicContact CE-CB 4.26Å
2	S	74.3	Confident	83.1	Confident	51 Å²	51	87.4 Å²	87.4	36%	0.357	47%	0.465	S	S	.	.			trans	-69.4	153.8	173.1	56.2	0	0	0	0	110.6	E4 N5 E6	S2-E4 PolarHBondContact O-N 2.95Å; S2-N5 PolarHBondContact O-N 3.17Å; S2-N5 VanDerWaalsContact O-N 3.07Å; S2-N5 WeakPolarHBondContact OG-CB 3.47Å; S2-N5 PolarHBondContact OG-N 3.43Å; S2-N5 VanDerWaalsContact OG-N 3.17Å; S2-N5 PolarHBondContact OG-OD1 3.22Å; S2-E6 PolarHBondContact O-N 2.85Å; S2-E6 VanDerWaalsContact O-N 3.13Å
3	Q	78	Confident	83.7	Confident	145 Å²	145	87.4 Å²	87.4	68%	0.678	46%	0.46	S	S	*	.	H	α-helix	trans	-58.4	-30.3	171.3	-75.4	177.3	-39.9	0	0	111.6	E6 F7 I36	Q3-E6 PolarHBondContact O-N 3.41Å; Q3-F7 VanDerWaalsContact O-CB 3.24Å; Q3-F7 WeakPolarHBondContact O-CB 3.47Å; Q3-F7 PolarHBondContact O-N 3.3Å; Q3-I36 HydrophobicContact CB-CG2 3.88Å; Q3-I36 HydrophobicContact CG-CG2 4.43Å
4	E	80.5	Confident	84.4	Confident	150 Å²	150	81.1 Å²	81.1	70%	0.701	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-40.1	173	-62.6	-178.2	121.4	0	0	113.1	S2 E6 S8	S2-E4 PolarHBondContact O-N 2.95Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-S8 WeakPolarHBondContact O-CB 3.24Å; E4-S8 PolarHBondContact O-N 3.29Å
5	N	82.5	Confident	84.6	Confident	92 Å²	92	85.6 Å²	85.6	49%	0.492	44%	0.436	S	S	.	.	H	α-helix	trans	-68.1	-36.1	176.2	-74.1	3.6	0	0	0	111.3	M1 S2 S9	M1-N5 HydrophobicContact CB-CB 4.39Å; M1-N5 HydrophobicContact CE-CB 4.26Å; S2-N5 PolarHBondContact O-N 3.17Å; S2-N5 VanDerWaalsContact O-N 3.07Å; S2-N5 WeakPolarHBondContact OG-CB 3.47Å; S2-N5 PolarHBondContact OG-N 3.43Å; S2-N5 VanDerWaalsContact OG-N 3.17Å; S2-N5 PolarHBondContact OG-OD1 3.22Å; N5-S9 VanDerWaalsContact O-CB 3.26Å; N5-S9 WeakPolarHBondContact O-CB 3.26Å; N5-S9 PolarHBondContact O-N 3.07Å
6	E	86.5	Confident	85	Confident	106 Å²	106	85.9 Å²	85.9	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-68.4	-48	174.9	-167.7	170	-165.5	0	0	111.2	S2 Q3 E4 S8 S9 L10 I36	S2-E6 PolarHBondContact O-N 2.85Å; S2-E6 VanDerWaalsContact O-N 3.13Å; Q3-E6 PolarHBondContact O-N 3.41Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 3.27Å; E6-S9 WeakPolarHBondContact O-CB 3.26Å; E6-S9 PolarHBondContact O-N 3.42Å; E6-L10 HydrophobicContact CG-CD1 4.34Å; E6-L10 WeakPolarHBondContact O-CG 3.19Å; E6-L10 PolarHBondContact O-N 2.84Å; E6-I36 HydrophobicContact CB-CD1 4.05Å; E6-I36 HydrophobicContact CG-CD1 3.63Å
7	F	91.6	Very high	85.3	Confident	46 Å²	46	83.6 Å²	83.6	20%	0.202	43%	0.425	C	S	.	.	H	α-helix	trans	-55.8	-48.8	172.6	176.9	-99.1	0	0	0	112.4	Q3 S9 L10 V11 A33 I36 N37 L42	Q3-F7 VanDerWaalsContact O-CB 3.24Å; Q3-F7 WeakPolarHBondContact O-CB 3.47Å; Q3-F7 PolarHBondContact O-N 3.3Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-S9 PolarHBondContact O-N 2.83Å; F7-L10 PolarHBondContact O-N 3.11Å; F7-V11 HydrophobicContact CD1-CG2 4.32Å; F7-V11 HydrophobicContact CD2-CG2 4.32Å; F7-V11 HydrophobicContact CE1-CG2 3.98Å; F7-V11 HydrophobicContact CE2-CG2 3.99Å; F7-V11 HydrophobicContact CG-CG2 4.48Å; F7-V11 HydrophobicContact CZ-CG2 3.81Å; F7-V11 WeakPolarHBondContact O-CB 3.36Å; F7-V11 VanDerWaalsContact O-CG2 3.3Å; F7-V11 WeakPolarHBondContact O-CG2 3.47Å; F7-V11 PolarHBondContact O-N 3.25Å; F7-A33 HydrophobicContact CD2-CB 3.96Å; F7-A33 VanDerWaalsContact CD2-O 3.27Å; F7-A33 WeakPolarHBondContact CD2-O 3.3Å; F7-A33 HydrophobicContact CE2-CB 4.07Å; F7-A33 WeakPolarHBondContact CE2-O 3.28Å; F7-I36 HydrophobicContact CB-CG2 4.12Å; F7-N37 HydrophobicContact CD2-CB 3.7Å; F7-N37 HydrophobicContact CE2-CB 3.67Å; F7-N37 HydrophobicContact CG-CB 4.3Å; F7-N37 HydrophobicContact CZ-CB 4.24Å; F7-L42 HydrophobicContact CE2-CD2 3.9Å; F7-L42 HydrophobicContact CZ-CD2 4.42Å
8	S	87	Confident	85.5	Confident	67 Å²	67	81.6 Å²	81.6	47%	0.469	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-38.7	179	-172.6	0	0	0	0	111.8	E4 E6 T12	E4-S8 WeakPolarHBondContact O-CB 3.24Å; E4-S8 PolarHBondContact O-N 3.29Å; E6-S8 PolarHBondContact O-N 3.27Å; S8-T12 VanDerWaalsContact O-CB 3.27Å; S8-T12 WeakPolarHBondContact O-CB 3.32Å; S8-T12 PolarHBondContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 3.43Å
9	S	90.2	Very high	85.3	Confident	51 Å²	51	83.7 Å²	83.7	36%	0.357	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-50.6	173	-170.3	0	0	0	0	111.4	N5 E6 F7 V11 T12 Q13	N5-S9 VanDerWaalsContact O-CB 3.26Å; N5-S9 WeakPolarHBondContact O-CB 3.26Å; N5-S9 PolarHBondContact O-N 3.07Å; E6-S9 WeakPolarHBondContact O-CB 3.26Å; E6-S9 PolarHBondContact O-N 3.42Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-S9 PolarHBondContact O-N 2.83Å; S9-V11 PolarHBondContact O-N 3.45Å; S9-T12 PolarHBondContact O-N 2.99Å; S9-Q13 WeakPolarHBondContact O-CB 3.08Å; S9-Q13 VanDerWaalsContact O-CG 3.3Å; S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 2.8Å; S9-Q13 PolarHBondContact OG-NE2 3.1Å
10	L	93.9	Very high	85.4	Confident	23 Å²	23	85.8 Å²	85.8	12%	0.12	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-42.1	178.8	-69.7	171	0	0	0	112.4	E6 F7 T12 Q13 A14 L29 D32 A33 I36	E6-L10 HydrophobicContact CG-CD1 4.34Å; E6-L10 WeakPolarHBondContact O-CG 3.19Å; E6-L10 PolarHBondContact O-N 2.84Å; F7-L10 PolarHBondContact O-N 3.11Å; L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 3.49Å; L10-Q13 PolarHBondContact O-N 2.98Å; L10-A14 WeakPolarHBondContact O-CB 3.19Å; L10-A14 PolarHBondContact O-N 2.87Å; L10-L29 HydrophobicContact CD2-CD2 3.67Å; L10-D32 HydrophobicContact CD1-CB 4.04Å; L10-D32 HydrophobicContact CD2-CB 4.39Å; L10-A33 HydrophobicContact CB-CB 3.89Å; L10-A33 HydrophobicContact CD1-CB 4.48Å; L10-I36 HydrophobicContact CD1-CD1 3.72Å
11	V	91.2	Very high	85.3	Confident	41 Å²	41	83.6 Å²	83.6	25%	0.248	43%	0.434	C	S	.	.	H	α-helix	trans	-65.1	-35.5	176	171	0	0	0	0	111.8	F7 S9 R15 A33 L42	F7-V11 HydrophobicContact CD1-CG2 4.32Å; F7-V11 HydrophobicContact CD2-CG2 4.32Å; F7-V11 HydrophobicContact CE1-CG2 3.98Å; F7-V11 HydrophobicContact CE2-CG2 3.99Å; F7-V11 HydrophobicContact CG-CG2 4.48Å; F7-V11 HydrophobicContact CZ-CG2 3.81Å; F7-V11 WeakPolarHBondContact O-CB 3.36Å; F7-V11 VanDerWaalsContact O-CG2 3.3Å; F7-V11 WeakPolarHBondContact O-CG2 3.47Å; F7-V11 PolarHBondContact O-N 3.25Å; S9-V11 PolarHBondContact O-N 3.45Å; V11-R15 WeakPolarHBondContact O-CB 3.35Å; V11-R15 PolarHBondContact O-N 3.25Å; V11-R15 VanDerWaalsContact O-N 3.08Å; V11-A33 HydrophobicContact CG2-CB 3.9Å; V11-L42 HydrophobicContact CG2-CD1 4.19Å
12	T	91	Very high	87.2	Confident	77 Å²	77	77.1 Å²	77.1	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-71.7	-46.7	176	-59.1	0	0	0	0	111.4	S8 S9 L10 A14 R15 L16	S8-T12 VanDerWaalsContact O-CB 3.27Å; S8-T12 WeakPolarHBondContact O-CB 3.32Å; S8-T12 PolarHBondContact O-N 3.13Å; S8-T12 PolarHBondContact O-OG1 3.43Å; S9-T12 PolarHBondContact O-N 2.99Å; L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 3.49Å; T12-A14 PolarHBondContact O-N 2.84Å; T12-R15 WeakPolarHBondContact O-CB 3.5Å; T12-R15 PolarHBondContact O-N 2.85Å; T12-R15 VanDerWaalsContact O-N 3.12Å; T12-L16 PolarHBondContact O-N 3.1Å
13	Q	91.7	Very high	88	Confident	87 Å²	87	77 Å²	77	41%	0.407	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.2	-67.9	175.7	39.1	0	0	110.9	S9 L10 R15 L16 K17 L29	S9-Q13 WeakPolarHBondContact O-CB 3.08Å; S9-Q13 VanDerWaalsContact O-CG 3.3Å; S9-Q13 WeakPolarHBondContact O-CG 3.48Å; S9-Q13 PolarHBondContact O-N 2.8Å; S9-Q13 PolarHBondContact OG-NE2 3.1Å; L10-Q13 PolarHBondContact O-N 2.98Å; Q13-R15 PolarHBondContact O-N 2.77Å; Q13-L16 PolarHBondContact O-N 3.36Å; Q13-L16 VanDerWaalsContact O-N 3.12Å; Q13-K17 WeakPolarHBondContact O-CG 3.32Å; Q13-K17 PolarHBondContact O-N 2.81Å; Q13-L29 HydrophobicContact CB-CD1 3.89Å; Q13-L29 HydrophobicContact CB-CD2 4.46Å
14	A	92.6	Very high	88.6	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-32.7	175.3	0	0	0	0	0	112.5	L10 T12 C18 S26 L29	L10-A14 WeakPolarHBondContact O-CB 3.19Å; L10-A14 PolarHBondContact O-N 2.87Å; T12-A14 PolarHBondContact O-N 2.84Å; A14-C18 WeakPolarHBondContact O-CB 3.41Å; A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 VanDerWaalsContact O-N 3.16Å; A14-S26 WeakPolarHBondContact O-CB 3.47Å; A14-S26 PolarHBondContact O-OG 2.83Å; A14-L29 HydrophobicContact CB-CB 3.62Å
15	R	88.2	Confident	89	Confident	148 Å²	148	72 Å²	72	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-69.7	-49.8	173.1	-179.7	178	173.6	-163.5	-13.9	111.3	V11 T12 Q13 K17 C18 E19	V11-R15 WeakPolarHBondContact O-CB 3.35Å; V11-R15 PolarHBondContact O-N 3.25Å; V11-R15 VanDerWaalsContact O-N 3.08Å; T12-R15 WeakPolarHBondContact O-CB 3.5Å; T12-R15 PolarHBondContact O-N 2.85Å; T12-R15 VanDerWaalsContact O-N 3.12Å; Q13-R15 PolarHBondContact O-N 2.77Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 2.93Å; R15-C18 WeakPolarHBondContact O-CA 3.27Å; R15-C18 WeakPolarHBondContact O-CB 3.29Å; R15-C18 PolarHBondContact O-N 3.04Å; R15-E19 IonicContact CZ-OE1 2.81Å; R15-E19 VanDerWaalsContact CZ-OE1 3.25Å; R15-E19 IonicContact NE-OE1 3.25Å; R15-E19 PolarHBondContact NE-OE1 2.94Å; R15-E19 IonicContact NE-OE2 3.97Å; R15-E19 IonicContact NH2-OE1 2.76Å; R15-E19 PolarHBondContact NH2-OE1 3.46Å; R15-E19 IonicContact NH2-OE2 3.85Å; R15-E19 PolarHBondContact O-N 2.91Å
16	L	90.9	Very high	89.5	Confident	91 Å²	91	67.6 Å²	67.6	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-56.4	-46.2	177.1	-68.2	169.9	0	0	0	110.9	T12 Q13 C18 E19 E20	T12-L16 PolarHBondContact O-N 3.1Å; Q13-L16 PolarHBondContact O-N 3.36Å; Q13-L16 VanDerWaalsContact O-N 3.12Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.99Å; L16-E19 CarbonylContact O-C 3.58Å; L16-E19 WeakPolarHBondContact O-CA 3.4Å; L16-E19 PolarHBondContact O-N 2.86Å; L16-E20 WeakPolarHBondContact O-CG 3.4Å; L16-E20 PolarHBondContact O-N 3.47Å
17	K	90.1	Very high	89.8	Confident	47 Å²	47	63.6 Å²	63.6	20%	0.204	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-29.3	175.4	-64	-49.1	-169.8	152.2	0	114.5	Q13 R15 E20 G21 N22 E25 L29	Q13-K17 WeakPolarHBondContact O-CG 3.32Å; Q13-K17 PolarHBondContact O-N 2.81Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 2.93Å; K17-E20 WeakPolarHBondContact CD-OE2 3.27Å; K17-E20 WeakPolarHBondContact CE-OE2 3.44Å; K17-E20 IonicContact NZ-OE1 3.36Å; K17-E20 IonicContact NZ-OE2 2.8Å; K17-E20 PolarHBondContact NZ-OE2 2.74Å; K17-G21 PolarHBondContact O-N 2.8Å; K17-N22 CarbonylContact O-C 3.55Å; K17-N22 WeakPolarHBondContact O-CA 3.3Å; K17-N22 PolarHBondContact O-N 3.31Å; K17-E25 HydrophobicContact CB-CB 4.41Å; K17-E25 HydrophobicContact CD-CG 4.33Å; K17-E25 VanDerWaalsContact CD-OE2 3.26Å; K17-E25 WeakPolarHBondContact CD-OE2 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.16Å; K17-E25 WeakPolarHBondContact CE-OE2 3.44Å; K17-E25 HydrophobicContact CG-CB 4.32Å; K17-E25 HydrophobicContact CG-CG 3.98Å; K17-E25 IonicContact NZ-OE1 2.94Å; K17-E25 PolarHBondContact NZ-OE1 2.99Å; K17-E25 IonicContact NZ-OE2 3.26Å; K17-E25 PolarHBondContact NZ-OE2 3.38Å; K17-L29 HydrophobicContact CB-CD1 4.42Å; K17-L29 HydrophobicContact CG-CD1 3.78Å
18	C	88.2	Confident	89.9	Confident	46 Å²	46	67.6 Å²	67.6	31%	0.311	35%	0.348	S	S	.	.	H	α-helix	trans	-76	-28	171.3	-167.4	0	0	0	0	112.9	A14 R15 L16	A14-C18 WeakPolarHBondContact O-CB 3.41Å; A14-C18 PolarHBondContact O-N 2.96Å; A14-C18 VanDerWaalsContact O-N 3.16Å; R15-C18 WeakPolarHBondContact O-CA 3.27Å; R15-C18 WeakPolarHBondContact O-CB 3.29Å; R15-C18 PolarHBondContact O-N 3.04Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-C18 PolarHBondContact O-N 2.99Å
19	E	83.2	Confident	90.3	Very high	122 Å²	122	65.3 Å²	65.3	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-82.9	-27.1	176.6	-69.8	174	176.1	0	0	111.5	R15 L16 G21	R15-E19 IonicContact CZ-OE1 2.81Å; R15-E19 VanDerWaalsContact CZ-OE1 3.25Å; R15-E19 IonicContact NE-OE1 3.25Å; R15-E19 PolarHBondContact NE-OE1 2.94Å; R15-E19 IonicContact NE-OE2 3.97Å; R15-E19 IonicContact NH2-OE1 2.76Å; R15-E19 PolarHBondContact NH2-OE1 3.46Å; R15-E19 IonicContact NH2-OE2 3.85Å; R15-E19 PolarHBondContact O-N 2.91Å; L16-E19 CarbonylContact O-C 3.58Å; L16-E19 WeakPolarHBondContact O-CA 3.4Å; L16-E19 PolarHBondContact O-N 2.86Å; E19-G21 VanDerWaalsContact C-N 3.29Å
20	E	86.2	Confident	90.5	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.2	165.4	-72.9	172.1	-154	0	0	113.7	L16 K17	L16-E20 WeakPolarHBondContact O-CG 3.4Å; L16-E20 PolarHBondContact O-N 3.47Å; K17-E20 WeakPolarHBondContact CD-OE2 3.27Å; K17-E20 WeakPolarHBondContact CE-OE2 3.44Å; K17-E20 IonicContact NZ-OE1 3.36Å; K17-E20 IonicContact NZ-OE2 2.8Å; K17-E20 PolarHBondContact NZ-OE2 2.74Å
21	G	84.3	Confident	90.4	Very high	40 Å²	40	65.9 Å²	65.9	41%	0.412	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	1.9	-175.9	0	0	0	0	0	115.7	K17 E19 F23	K17-G21 PolarHBondContact O-N 2.8Å; E19-G21 VanDerWaalsContact C-N 3.29Å; G21-F23 PolarHBondContact O-N 3.17Å
22	N	88.4	Confident	90.5	Very high	64 Å²	64	67 Å²	67	34%	0.342	33%	0.331	S	S	.	.			trans	-82.1	78.3	175	-167.5	-8.5	0	0	0	111.7	K17 H24 E25 S26	K17-N22 CarbonylContact O-C 3.55Å; K17-N22 WeakPolarHBondContact O-CA 3.3Å; K17-N22 PolarHBondContact O-N 3.31Å; N22-H24 VanDerWaalsContact C-N 3.29Å; N22-H24 PolarHBondContact O-N 3.45Å; N22-E25 HydrophobicContact CB-CB 4.22Å; N22-E25 VanDerWaalsContact CG-CB 3.46Å; N22-E25 VanDerWaalsContact ND2-CB 3.28Å; N22-E25 WeakPolarHBondContact ND2-CB 3.48Å; N22-E25 PolarHBondContact ND2-OE2 3.07Å; N22-E25 PolarHBondContact O-N 3.44Å; N22-E25 PolarHBondContact OD1-N 2.97Å; N22-S26 WeakPolarHBondContact O-CB 3.31Å; N22-S26 PolarHBondContact O-N 3.5Å
23	F	91.3	Very high	90.6	Very high	48 Å²	48	63.3 Å²	63.3	21%	0.211	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-31.4	-178.2	-54	-54.6	0	0	0	113.8	G21 S26 L27 L49 I53 D56	G21-F23 PolarHBondContact O-N 3.17Å; F23-S26 PolarHBondContact O-N 3.36Å; F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 3.17Å; F23-L49 HydrophobicContact CB-CD2 4.25Å; F23-L49 HydrophobicContact CD1-CD2 4.05Å; F23-I53 HydrophobicContact CB-CD1 4.31Å; F23-I53 HydrophobicContact CB-CG1 3.9Å; F23-D56 WeakPolarHBondContact CD2-OD2 3.42Å; F23-D56 WeakPolarHBondContact CE2-OD2 3.36Å
24	H	90.3	Very high	90.7	Very high	116 Å²	116	63.1 Å²	63.1	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-46.3	177.7	-83.9	83.4	0	0	0	111.9	N22 L27 K28	N22-H24 VanDerWaalsContact C-N 3.29Å; N22-H24 PolarHBondContact O-N 3.45Å; H24-L27 PolarHBondContact O-N 3.34Å; H24-K28 PolarHBondContact O-N 2.86Å
25	E	89.8	Confident	90.7	Very high	73 Å²	73	67.2 Å²	67.2	34%	0.341	34%	0.339	S	S	.	.	H	α-helix	trans	-68.7	-38.4	177.1	-164.2	178.7	-172.4	0	0	110.8	K17 N22 L27 K28 L29	K17-E25 HydrophobicContact CB-CB 4.41Å; K17-E25 HydrophobicContact CD-CG 4.33Å; K17-E25 VanDerWaalsContact CD-OE2 3.26Å; K17-E25 WeakPolarHBondContact CD-OE2 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.16Å; K17-E25 WeakPolarHBondContact CE-OE2 3.44Å; K17-E25 HydrophobicContact CG-CB 4.32Å; K17-E25 HydrophobicContact CG-CG 3.98Å; K17-E25 IonicContact NZ-OE1 2.94Å; K17-E25 PolarHBondContact NZ-OE1 2.99Å; K17-E25 IonicContact NZ-OE2 3.26Å; K17-E25 PolarHBondContact NZ-OE2 3.38Å; N22-E25 HydrophobicContact CB-CB 4.22Å; N22-E25 VanDerWaalsContact CG-CB 3.46Å; N22-E25 VanDerWaalsContact ND2-CB 3.28Å; N22-E25 WeakPolarHBondContact ND2-CB 3.48Å; N22-E25 PolarHBondContact ND2-OE2 3.07Å; N22-E25 PolarHBondContact O-N 3.44Å; N22-E25 PolarHBondContact OD1-N 2.97Å; E25-L27 PolarHBondContact O-N 3.18Å; E25-K28 PolarHBondContact O-N 3.07Å; E25-L29 HydrophobicContact CG-CD1 4.27Å; E25-L29 WeakPolarHBondContact O-CB 3.45Å; E25-L29 WeakPolarHBondContact O-CD1 3.49Å; E25-L29 VanDerWaalsContact O-CG 3.3Å; E25-L29 WeakPolarHBondContact O-CG 3.3Å; E25-L29 PolarHBondContact O-N 2.81Å
26	S	92.8	Very high	90.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-40.9	171.6	-173	0	0	0	0	113.2	A14 N22 F23 C30	A14-S26 WeakPolarHBondContact O-CB 3.47Å; A14-S26 PolarHBondContact O-OG 2.83Å; N22-S26 WeakPolarHBondContact O-CB 3.31Å; N22-S26 PolarHBondContact O-N 3.5Å; F23-S26 PolarHBondContact O-N 3.36Å; S26-C30 WeakPolarHBondContact O-CB 3.49Å; S26-C30 PolarHBondContact O-N 3.2Å; S26-C30 PolarHBondContact O-SG 2.82Å
27	L	93.5	Very high	90.5	Very high	22 Å²	22	62 Å²	62	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-48.8	176	173.6	61	0	0	0	110.6	F23 H24 E25 C30 Q31 I46 L49 Q50 I53	F23-L27 VanDerWaalsContact O-CB 3.31Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 3.17Å; H24-L27 PolarHBondContact O-N 3.34Å; E25-L27 PolarHBondContact O-N 3.18Å; L27-C30 WeakPolarHBondContact O-CB 3.39Å; L27-C30 PolarHBondContact O-N 3.49Å; L27-Q31 HydrophobicContact CD1-CG 4.2Å; L27-Q31 WeakPolarHBondContact O-CG 3.32Å; L27-Q31 PolarHBondContact O-N 3.12Å; L27-I46 HydrophobicContact CD1-CB 4.4Å; L27-I46 HydrophobicContact CD1-CG1 4.49Å; L27-I46 HydrophobicContact CD1-CG2 3.85Å; L27-L49 HydrophobicContact CB-CB 4.22Å; L27-L49 HydrophobicContact CD1-CB 4.17Å; L27-Q50 HydrophobicContact CD1-CG 3.89Å; L27-Q50 HydrophobicContact CD2-CG 3.92Å; L27-I53 HydrophobicContact CB-CD1 3.91Å; L27-I53 HydrophobicContact CD2-CD1 3.57Å; L27-I53 HydrophobicContact CG-CD1 4.36Å
28	K	93.4	Very high	90.4	Very high	130 Å²	130	64.1 Å²	64.1	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-58.8	-50.5	178.6	-172.1	-173.2	171.1	-172.2	0	111.1	H24 E25 C30 Q31 D32	H24-K28 PolarHBondContact O-N 2.86Å; E25-K28 PolarHBondContact O-N 3.07Å; K28-C30 PolarHBondContact O-N 2.91Å; K28-Q31 CarbonylContact O-C 3.19Å; K28-Q31 WeakPolarHBondContact O-CA 3.43Å; K28-Q31 WeakPolarHBondContact O-CB 3.46Å; K28-Q31 PolarHBondContact O-N 3.22Å; K28-D32 VanDerWaalsContact O-CG 3.3Å; K28-D32 PolarHBondContact O-N 3.49Å
29	L	95.4	Very high	90.2	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-30.1	178.5	-67.5	164.7	0	0	0	112.7	L10 Q13 A14 K17 E25 A33	L10-L29 HydrophobicContact CD2-CD2 3.67Å; Q13-L29 HydrophobicContact CB-CD1 3.89Å; Q13-L29 HydrophobicContact CB-CD2 4.46Å; A14-L29 HydrophobicContact CB-CB 3.62Å; K17-L29 HydrophobicContact CB-CD1 4.42Å; K17-L29 HydrophobicContact CG-CD1 3.78Å; E25-L29 HydrophobicContact CG-CD1 4.27Å; E25-L29 WeakPolarHBondContact O-CB 3.45Å; E25-L29 WeakPolarHBondContact O-CD1 3.49Å; E25-L29 VanDerWaalsContact O-CG 3.3Å; E25-L29 WeakPolarHBondContact O-CG 3.3Å; E25-L29 PolarHBondContact O-N 2.81Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.32Å
30	C	93.6	Very high	90.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-71.3	-35.1	169.9	-69.8	0	0	0	0	112.9	S26 L27 K28 Y34 L42 I46 L49	S26-C30 WeakPolarHBondContact O-CB 3.49Å; S26-C30 PolarHBondContact O-N 3.2Å; S26-C30 PolarHBondContact O-SG 2.82Å; L27-C30 WeakPolarHBondContact O-CB 3.39Å; L27-C30 PolarHBondContact O-N 3.49Å; K28-C30 PolarHBondContact O-N 2.91Å; C30-Y34 VanDerWaalsContact O-CB 3.32Å; C30-Y34 WeakPolarHBondContact O-CB 3.47Å; C30-Y34 PolarHBondContact O-N 3.24Å; C30-L42 HydrophobicContact CB-CD1 4.46Å; C30-I46 HydrophobicContact CB-CD1 4.39Å; C30-I46 HydrophobicContact CB-CG1 3.73Å; C30-L49 HydrophobicContact CB-CD1 4.41Å
31	Q	93.4	Very high	89.9	Confident	85 Å²	85	59.9 Å²	59.9	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-70.2	-43.1	175.4	-71.5	171.2	-35.6	0	0	111.4	L27 K28 A33 Y34 A35 I46	L27-Q31 HydrophobicContact CD1-CG 4.2Å; L27-Q31 WeakPolarHBondContact O-CG 3.32Å; L27-Q31 PolarHBondContact O-N 3.12Å; K28-Q31 CarbonylContact O-C 3.19Å; K28-Q31 WeakPolarHBondContact O-CA 3.43Å; K28-Q31 WeakPolarHBondContact O-CB 3.46Å; K28-Q31 PolarHBondContact O-N 3.22Å; Q31-A33 PolarHBondContact O-N 2.86Å; Q31-Y34 WeakPolarHBondContact O-CB 3.47Å; Q31-Y34 PolarHBondContact O-N 2.99Å; Q31-Y34 VanDerWaalsContact O-N 3.11Å; Q31-A35 PolarHBondContact O-N 3.04Å; Q31-I46 HydrophobicContact CG-CD1 4.26Å
32	D	93.2	Very high	90.1	Very high	64 Å²	64	58.4 Å²	58.4	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-44.9	174.1	-62.2	-27.3	0	0	0	110.1	L10 K28 Y34 A35 I36	L10-D32 HydrophobicContact CD1-CB 4.04Å; L10-D32 HydrophobicContact CD2-CB 4.39Å; K28-D32 VanDerWaalsContact O-CG 3.3Å; K28-D32 PolarHBondContact O-N 3.49Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.36Å; D32-A35 PolarHBondContact O-N 3.46Å; D32-I36 PolarHBondContact O-N 2.89Å
33	A	93	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-35.1	172.7	0	0	0	0	0	113.3	F7 L10 V11 L29 Q31 A35 I36 N37 L42	F7-A33 HydrophobicContact CD2-CB 3.96Å; F7-A33 VanDerWaalsContact CD2-O 3.27Å; F7-A33 WeakPolarHBondContact CD2-O 3.3Å; F7-A33 HydrophobicContact CE2-CB 4.07Å; F7-A33 WeakPolarHBondContact CE2-O 3.28Å; L10-A33 HydrophobicContact CB-CB 3.89Å; L10-A33 HydrophobicContact CD1-CB 4.48Å; V11-A33 HydrophobicContact CG2-CB 3.9Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.49Å; L29-A33 PolarHBondContact O-N 3.32Å; Q31-A33 PolarHBondContact O-N 2.86Å; A33-A35 VanDerWaalsContact C-N 3.34Å; A33-I36 PolarHBondContact O-N 3.07Å; A33-N37 PolarHBondContact O-N 3.39Å; A33-L42 HydrophobicContact CB-CD2 3.83Å
34	Y	93.7	Very high	89.9	Confident	83 Å²	83	63.8 Å²	63.8	33%	0.325	34%	0.339	S	S	.	.	H	α-helix	trans	-69.6	-31.4	177.4	-172.6	-98.4	0	0	0	112.4	C30 Q31 D32 I36 N37 P38 L42 M43 I46	C30-Y34 VanDerWaalsContact O-CB 3.32Å; C30-Y34 WeakPolarHBondContact O-CB 3.47Å; C30-Y34 PolarHBondContact O-N 3.24Å; Q31-Y34 WeakPolarHBondContact O-CB 3.47Å; Q31-Y34 PolarHBondContact O-N 2.99Å; Q31-Y34 VanDerWaalsContact O-N 3.11Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 3.36Å; Y34-I36 VanDerWaalsContact C-N 3.25Å; Y34-I36 PolarHBondContact O-N 3.19Å; Y34-N37 CarbonylContact O-C 3.57Å; Y34-P38 HydrophobicContact CD2-CB 4.46Å; Y34-P38 HydrophobicContact CE1-CB 4.36Å; Y34-P38 HydrophobicContact CE2-CB 3.92Å; Y34-P38 WeakPolarHBondContact O-CG 3.48Å; Y34-L42 HydrophobicContact CD2-CD2 4.35Å; Y34-M43 HydrophobicContact CE1-SD 4.38Å; Y34-M43 HydrophobicContact CE2-CB 3.92Å; Y34-M43 HydrophobicContact CE2-CG 4.45Å; Y34-M43 HydrophobicContact CE2-SD 4.14Å; Y34-I46 HydrophobicContact CD2-CD1 4.3Å; Y34-I46 HydrophobicContact CG-CD1 4.03Å
35	A	91.1	Very high	89.7	Confident	86 Å²	86	61.1 Å²	61.1	71%	0.711	33%	0.326	S	S	*	.	H	α-helix	trans	-67	-25.1	172.3	0	0	0	0	0	112.9	Q31 D32 A33	Q31-A35 PolarHBondContact O-N 3.04Å; D32-A35 PolarHBondContact O-N 3.46Å; A33-A35 VanDerWaalsContact C-N 3.34Å
36	I	88.4	Confident	89.8	Confident	47 Å²	47	57.9 Å²	57.9	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-85.6	-44.6	173.9	-58.6	-179.9	0	0	0	111.6	Q3 E6 F7 L10 D32 A33 Y34	Q3-I36 HydrophobicContact CB-CG2 3.88Å; Q3-I36 HydrophobicContact CG-CG2 4.43Å; E6-I36 HydrophobicContact CB-CD1 4.05Å; E6-I36 HydrophobicContact CG-CD1 3.63Å; F7-I36 HydrophobicContact CB-CG2 4.12Å; L10-I36 HydrophobicContact CD1-CD1 3.72Å; D32-I36 PolarHBondContact O-N 2.89Å; A33-I36 PolarHBondContact O-N 3.07Å; Y34-I36 VanDerWaalsContact C-N 3.25Å; Y34-I36 PolarHBondContact O-N 3.19Å
37	N	87.4	Confident	89.7	Confident	84 Å²	84	60.9 Å²	60.9	45%	0.449	33%	0.329	S	S	.	.	S	Bend	trans	-143	101.9	179.7	-168.6	-27.8	0	0	0	112.2	F7 A33 Y34 S39	F7-N37 HydrophobicContact CD2-CB 3.7Å; F7-N37 HydrophobicContact CE2-CB 3.67Å; F7-N37 HydrophobicContact CG-CB 4.3Å; F7-N37 HydrophobicContact CZ-CB 4.24Å; A33-N37 PolarHBondContact O-N 3.39Å; Y34-N37 CarbonylContact O-C 3.57Å; N37-S39 PolarHBondContact O-N 3.13Å
38	P	88	Confident	89.3	Confident	91 Å²	91	68.6 Å²	68.6	59%	0.591	36%	0.357	S	S	*	.			trans	-66.7	76	-178.1	-25.6	36.5	0	0	0	115.9	Y34	Y34-P38 HydrophobicContact CD2-CB 4.46Å; Y34-P38 HydrophobicContact CE1-CB 4.36Å; Y34-P38 HydrophobicContact CE2-CB 3.92Å; Y34-P38 WeakPolarHBondContact O-CG 3.48Å
39	S	82.7	Confident	89.1	Confident	40 Å²	40	62.7 Å²	62.7	28%	0.28	33%	0.331	S	S	.	.			trans	-87.6	135.8	178.8	178.7	0	0	0	0	114.1	N37 S41 L42 M43	N37-S39 PolarHBondContact O-N 3.13Å; S39-S41 PolarHBondContact O-N 2.88Å; S39-S41 PolarHBondContact OG-N 3.25Å; S39-L42 PolarHBondContact O-N 2.95Å; S39-L42 VanDerWaalsContact O-N 3.1Å; S39-M43 PolarHBondContact O-N 3.25Å
40	S	82.1	Confident	88.9	Confident	83 Å²	83	65.1 Å²	65.1	58%	0.58	34%	0.342	S	S	*	.	H	α-helix	trans	-65.4	-19.8	173	77.8	0	0	0	0	113.8	R44	S40-R44 WeakPolarHBondContact O-CG 3.31Å; S40-R44 PolarHBondContact O-N 3.1Å; S40-R44 PolarHBondContact O-NE 2.89Å; S40-R44 PolarHBondContact OG-NH2 3.23Å
41	S	82.2	Confident	88.3	Confident	81 Å²	81	69.5 Å²	69.5	57%	0.566	37%	0.365	S	S	*	.	H	α-helix	trans	-75.3	-44.2	171.1	-170.7	0	0	0	0	110.5	S39 R44 K45	S39-S41 PolarHBondContact O-N 2.88Å; S39-S41 PolarHBondContact OG-N 3.25Å; S41-R44 PolarHBondContact O-N 2.86Å; S41-K45 PolarHBondContact O-N 3.34Å; S41-K45 VanDerWaalsContact O-N 3.11Å
42	L	89.3	Confident	87.7	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-68.2	-39.8	178.7	-162.9	70	0	0	0	111.8	F7 V11 C30 A33 Y34 S39 R44 K45 I46	F7-L42 HydrophobicContact CE2-CD2 3.9Å; F7-L42 HydrophobicContact CZ-CD2 4.42Å; V11-L42 HydrophobicContact CG2-CD1 4.19Å; C30-L42 HydrophobicContact CB-CD1 4.46Å; A33-L42 HydrophobicContact CB-CD2 3.83Å; Y34-L42 HydrophobicContact CD2-CD2 4.35Å; S39-L42 PolarHBondContact O-N 2.95Å; S39-L42 VanDerWaalsContact O-N 3.1Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 2.96Å; L42-K45 HydrophobicContact CD1-CD 4.45Å; L42-K45 CarbonylContact O-C 3.56Å; L42-K45 WeakPolarHBondContact O-CA 3.39Å; L42-K45 VanDerWaalsContact O-CB 3.24Å; L42-K45 WeakPolarHBondContact O-CB 3.48Å; L42-K45 PolarHBondContact O-N 2.98Å; L42-I46 WeakPolarHBondContact O-CG1 3.37Å; L42-I46 PolarHBondContact O-N 3.43Å
43	M	88.5	Confident	87.3	Confident	65 Å²	65	66.3 Å²	66.3	32%	0.32	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-39.4	174.7	-165.8	63.6	-132.5	0	0	112.3	Y34 S39 K45 I46 V47	Y34-M43 HydrophobicContact CE1-SD 4.38Å; Y34-M43 HydrophobicContact CE2-CB 3.92Å; Y34-M43 HydrophobicContact CE2-CG 4.45Å; Y34-M43 HydrophobicContact CE2-SD 4.14Å; S39-M43 PolarHBondContact O-N 3.25Å; M43-K45 PolarHBondContact O-N 3.43Å; M43-I46 HydrophobicContact CE-CB 3.98Å; M43-I46 HydrophobicContact CE-CG2 3.57Å; M43-I46 PolarHBondContact O-N 3.12Å; M43-I46 HydrophobicContact SD-CB 4.41Å; M43-I46 HydrophobicContact SD-CD1 4.22Å; M43-I46 HydrophobicContact SD-CG2 4.41Å; M43-V47 HydrophobicContact CE-CG2 3.82Å; M43-V47 WeakPolarHBondContact O-CG2 3.47Å; M43-V47 PolarHBondContact O-N 3.32Å
44	R	85.5	Confident	86.5	Confident	159 Å²	159	69.7 Å²	69.7	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-64.1	-27	171.4	-79.9	179.5	-77.9	-177.7	-6.1	112.7	S40 S41 L42 R48	S40-R44 WeakPolarHBondContact O-CG 3.31Å; S40-R44 PolarHBondContact O-N 3.1Å; S40-R44 PolarHBondContact O-NE 2.89Å; S40-R44 PolarHBondContact OG-NH2 3.23Å; S41-R44 PolarHBondContact O-N 2.86Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-R44 PolarHBondContact O-N 2.96Å; R44-R48 VanDerWaalsContact O-CG 3.3Å; R44-R48 WeakPolarHBondContact O-CG 3.09Å; R44-R48 PolarHBondContact O-N 2.84Å
45	K	87.7	Confident	85.2	Confident	60 Å²	60	71.7 Å²	71.7	26%	0.261	39%	0.386	S	S	.	.	H	α-helix	trans	-75.3	-41.6	172.4	-159.4	-176.2	178.1	-163.8	0	111.6	S41 L42 M43 R48 L49	S41-K45 PolarHBondContact O-N 3.34Å; S41-K45 VanDerWaalsContact O-N 3.11Å; L42-K45 HydrophobicContact CD1-CD 4.45Å; L42-K45 CarbonylContact O-C 3.56Å; L42-K45 WeakPolarHBondContact O-CA 3.39Å; L42-K45 VanDerWaalsContact O-CB 3.24Å; L42-K45 WeakPolarHBondContact O-CB 3.48Å; L42-K45 PolarHBondContact O-N 2.98Å; M43-K45 PolarHBondContact O-N 3.43Å; K45-R48 PolarHBondContact O-N 3.39Å; K45-L49 HydrophobicContact CG-CD1 4.44Å; K45-L49 WeakPolarHBondContact O-CG 3.37Å; K45-L49 PolarHBondContact O-N 3.14Å
46	I	91.2	Very high	83.6	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-51	173.9	-71.2	169.1	0	0	0	110.8	L27 C30 Q31 Y34 L42 M43 R48 L49 Q50	L27-I46 HydrophobicContact CD1-CB 4.4Å; L27-I46 HydrophobicContact CD1-CG1 4.49Å; L27-I46 HydrophobicContact CD1-CG2 3.85Å; C30-I46 HydrophobicContact CB-CD1 4.39Å; C30-I46 HydrophobicContact CB-CG1 3.73Å; Q31-I46 HydrophobicContact CG-CD1 4.26Å; Y34-I46 HydrophobicContact CD2-CD1 4.3Å; Y34-I46 HydrophobicContact CG-CD1 4.03Å; L42-I46 WeakPolarHBondContact O-CG1 3.37Å; L42-I46 PolarHBondContact O-N 3.43Å; M43-I46 HydrophobicContact CE-CB 3.98Å; M43-I46 HydrophobicContact CE-CG2 3.57Å; M43-I46 PolarHBondContact O-N 3.12Å; M43-I46 HydrophobicContact SD-CB 4.41Å; M43-I46 HydrophobicContact SD-CD1 4.22Å; M43-I46 HydrophobicContact SD-CG2 4.41Å; I46-R48 VanDerWaalsContact C-N 3.28Å; I46-R48 PolarHBondContact O-N 2.93Å; I46-L49 PolarHBondContact O-N 3.34Å; I46-L49 VanDerWaalsContact O-N 3.14Å; I46-Q50 HydrophobicContact CG2-CG 4.41Å; I46-Q50 WeakPolarHBondContact O-CG 3.28Å; I46-Q50 PolarHBondContact O-N 2.9Å
47	V	89.4	Confident	81.8	Confident	63 Å²	63	72.1 Å²	72.1	38%	0.382	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-37.1	177.9	174.8	0	0	0	0	111.9	M43 N51	M43-V47 HydrophobicContact CE-CG2 3.82Å; M43-V47 WeakPolarHBondContact O-CG2 3.47Å; M43-V47 PolarHBondContact O-N 3.32Å; V47-N51 WeakPolarHBondContact O-CB 3.33Å; V47-N51 VanDerWaalsContact O-CG 3.28Å; V47-N51 PolarHBondContact O-N 3.3Å; V47-N51 PolarHBondContact O-ND2 2.87Å
48	R	86.9	Confident	79.9	Confident	185 Å²	185	76.7 Å²	76.7	70%	0.698	40%	0.395	S	S	*	.	H	α-helix	trans	-66.1	-42.7	174.5	-78.2	173.4	174.6	173.2	-1.9	112.5	R44 K45 I46 N51 L52	R44-R48 VanDerWaalsContact O-CG 3.3Å; R44-R48 WeakPolarHBondContact O-CG 3.09Å; R44-R48 PolarHBondContact O-N 2.84Å; K45-R48 PolarHBondContact O-N 3.39Å; I46-R48 VanDerWaalsContact C-N 3.28Å; I46-R48 PolarHBondContact O-N 2.93Å; R48-N51 PolarHBondContact O-N 3.23Å; R48-L52 PolarHBondContact O-N 3.36Å
49	L	89.4	Confident	77.8	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.026	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-40.2	176.7	-74.7	165.5	0	0	0	111.8	F23 L27 C30 K45 I46 L52 I53	F23-L49 HydrophobicContact CB-CD2 4.25Å; F23-L49 HydrophobicContact CD1-CD2 4.05Å; L27-L49 HydrophobicContact CB-CB 4.22Å; L27-L49 HydrophobicContact CD1-CB 4.17Å; C30-L49 HydrophobicContact CB-CD1 4.41Å; K45-L49 HydrophobicContact CG-CD1 4.44Å; K45-L49 WeakPolarHBondContact O-CG 3.37Å; K45-L49 PolarHBondContact O-N 3.14Å; I46-L49 PolarHBondContact O-N 3.34Å; I46-L49 VanDerWaalsContact O-N 3.14Å; L49-L52 PolarHBondContact O-N 3.37Å; L49-I53 WeakPolarHBondContact O-CB 3.49Å; L49-I53 WeakPolarHBondContact O-CD1 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.49Å
50	Q	89.2	Confident	75.6	Confident	72 Å²	72	82.8 Å²	82.8	34%	0.336	42%	0.415	S	S	.	.	H	α-helix	trans	-60.1	-45.1	171.9	-72.6	172.5	-40.5	0	0	111.5	L27 I46 L52 I53 C54	L27-Q50 HydrophobicContact CD1-CG 3.89Å; L27-Q50 HydrophobicContact CD2-CG 3.92Å; I46-Q50 HydrophobicContact CG2-CG 4.41Å; I46-Q50 WeakPolarHBondContact O-CG 3.28Å; I46-Q50 PolarHBondContact O-N 2.9Å; Q50-L52 PolarHBondContact O-N 3.05Å; Q50-I53 PolarHBondContact O-N 2.95Å; Q50-C54 WeakPolarHBondContact O-CB 3.37Å; Q50-C54 PolarHBondContact O-N 3.42Å; Q50-C54 PolarHBondContact O-SG 2.93Å
51	N	82.1	Confident	73.2	Confident	91 Å²	91	85.1 Å²	85.1	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-35.1	177.4	-75.3	-22.3	0	0	0	113.3	V47 R48 Q55	V47-N51 WeakPolarHBondContact O-CB 3.33Å; V47-N51 VanDerWaalsContact O-CG 3.28Å; V47-N51 PolarHBondContact O-N 3.3Å; V47-N51 PolarHBondContact O-ND2 2.87Å; R48-N51 PolarHBondContact O-N 3.23Å; N51-Q55 VanDerWaalsContact O-CG 3.31Å; N51-Q55 WeakPolarHBondContact O-CG 3.48Å; N51-Q55 PolarHBondContact O-N 3.14Å
52	L	81.8	Confident	70.6	Confident	66 Å²	66	87.1 Å²	87.1	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-48.1	171.9	-82.7	161.1	0	0	0	111.4	R48 L49 Q50 C54 Q55 D56	R48-L52 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.37Å; Q50-L52 PolarHBondContact O-N 3.05Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.29Å; L52-Q55 WeakPolarHBondContact O-CA 3.47Å; L52-Q55 WeakPolarHBondContact O-CB 3.3Å; L52-Q55 PolarHBondContact O-N 2.99Å; L52-D56 PolarHBondContact O-N 3.15Å
53	I	83.2	Confident	67.9	Low	17 Å²	17	93.9 Å²	93.9	9%	0.087	47%	0.465	C	S	.	.	H	α-helix	trans	-58.9	-44.1	175.9	-72	162.2	0	0	0	110.6	F23 L27 L49 Q50 Q55 D56 T57	F23-I53 HydrophobicContact CB-CD1 4.31Å; F23-I53 HydrophobicContact CB-CG1 3.9Å; L27-I53 HydrophobicContact CB-CD1 3.91Å; L27-I53 HydrophobicContact CD2-CD1 3.57Å; L27-I53 HydrophobicContact CG-CD1 4.36Å; L49-I53 WeakPolarHBondContact O-CB 3.49Å; L49-I53 WeakPolarHBondContact O-CD1 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.49Å; Q50-I53 PolarHBondContact O-N 2.95Å; I53-Q55 PolarHBondContact O-N 3.31Å; I53-Q55 VanDerWaalsContact O-N 3.15Å; I53-D56 PolarHBondContact O-N 3.4Å; I53-T57 HydrophobicContact CG2-CG2 4.03Å; I53-T57 WeakPolarHBondContact O-CB 3.34Å; I53-T57 WeakPolarHBondContact O-CG2 3.38Å; I53-T57 PolarHBondContact O-N 3.02Å; I53-T57 PolarHBondContact O-OG1 2.87Å; I53-T57 VanDerWaalsContact O-OG1 3.05Å
54	C	76.2	Confident	65.2	Low	70 Å²	70	95.1 Å²	95.1	47%	0.473	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-6	175.3	-69.6	0	0	0	0	115	Q50 L52 K58	Q50-C54 WeakPolarHBondContact O-CB 3.37Å; Q50-C54 PolarHBondContact O-N 3.42Å; Q50-C54 PolarHBondContact O-SG 2.93Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.29Å; C54-K58 WeakPolarHBondContact O-CD 3.38Å
55	Q	67.5	Low	62.8	Low	126 Å²	126	92.5 Å²	92.5	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-94.8	-49.1	168.2	-72	168.9	8	0	0	110.2	N51 L52 I53 T57 K58 E59	N51-Q55 VanDerWaalsContact O-CG 3.31Å; N51-Q55 WeakPolarHBondContact O-CG 3.48Å; N51-Q55 PolarHBondContact O-N 3.14Å; L52-Q55 WeakPolarHBondContact O-CA 3.47Å; L52-Q55 WeakPolarHBondContact O-CB 3.3Å; L52-Q55 PolarHBondContact O-N 2.99Å; I53-Q55 PolarHBondContact O-N 3.31Å; I53-Q55 VanDerWaalsContact O-N 3.15Å; Q55-T57 PolarHBondContact O-N 2.99Å; Q55-K58 WeakPolarHBondContact O-CB 3.47Å; Q55-K58 PolarHBondContact O-N 3.48Å; Q55-E59 PolarHBondContact O-N 2.84Å
56	D	57.5	Low	60.3	Low	73 Å²	73	98.1 Å²	98.1	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-41	177.4	-73.9	-26.4	0	0	0	112.8	F23 L52 I53 K58 E59 N60	F23-D56 WeakPolarHBondContact CD2-OD2 3.42Å; F23-D56 WeakPolarHBondContact CE2-OD2 3.36Å; L52-D56 PolarHBondContact O-N 3.15Å; I53-D56 PolarHBondContact O-N 3.4Å; D56-K58 PolarHBondContact O-N 3.35Å; D56-E59 PolarHBondContact O-N 3.48Å; D56-N60 PolarHBondContact O-N 3.21Å
57	T	50.6	Low	57.7	Low	69 Å²	69	106.4 Å²	106.4	42%	0.423	55%	0.553	S	S	.	*	H	α-helix	trans	-69.1	-0.8	176.1	64.3	0	0	0	0	113.7	I53 Q55	I53-T57 HydrophobicContact CG2-CG2 4.03Å; I53-T57 WeakPolarHBondContact O-CB 3.34Å; I53-T57 WeakPolarHBondContact O-CG2 3.38Å; I53-T57 PolarHBondContact O-N 3.02Å; I53-T57 PolarHBondContact O-OG1 2.87Å; I53-T57 VanDerWaalsContact O-OG1 3.05Å; Q55-T57 PolarHBondContact O-N 2.99Å
58	K	48	Very low	55	Low	179 Å²	179	108.7 Å²	108.7	78%	0.778	57%	0.571	S	S	*	*	H	α-helix	trans	-104.1	-10.9	170	-68.8	-176.4	177.7	-178.6	0	113.5	C54 Q55 D56	C54-K58 WeakPolarHBondContact O-CD 3.38Å; Q55-K58 WeakPolarHBondContact O-CB 3.47Å; Q55-K58 PolarHBondContact O-N 3.48Å; D56-K58 PolarHBondContact O-N 3.35Å
59	E	42.8	Very low	53.1	Low	133 Å²	133	105.9 Å²	105.9	62%	0.621	57%	0.57	S	S	*	*	H	α-helix	trans	-118.6	-5.1	178	-64.2	-170.5	178	0	0	113.2	Q55 D56 R1051	Q55-E59 PolarHBondContact O-N 2.84Å; D56-E59 PolarHBondContact O-N 3.48Å; E59-R1051 IonicContact OE1-CZ 3.74Å; E59-R1051 IonicContact OE1-NH1 3.93Å; E59-R1051 PolarHBondContact OE1-NH1 2.96Å; E59-R1051 IonicContact OE1-NH2 2.76Å; E59-R1051 IonicContact OE2-NH1 2.76Å; E59-R1051 PolarHBondContact OE2-NH1 3.12Å
60	N	36.4	Very low	51.7	Low	126 Å²	126	108.9 Å²	108.9	67%	0.674	59%	0.586	S	S	*	*			trans	-143.1	115.2	173	-87.7	-68.7	0	0	0	115.7	D56	D56-N60 PolarHBondContact O-N 3.21Å
61	I	31.7	Very low	50.2	Low	133 Å²	133	110.2 Å²	110.2	68%	0.682	60%	0.601	S	S	*	*			trans	-140.7	111.1	160.7	-58.8	179.6	0	0	0	110	I63	I61-I63 HydrophobicContact CG2-CD1 4.23Å; I61-I63 HydrophobicContact CG2-CG1 4.1Å
62	P	28.2	Very low	49.7	Very low	122 Å²	122	109.9 Å²	109.9	79%	0.792	60%	0.599	S	S	*	*			trans	-107.3	97.8	171.2	34.7	-25.4	0	0	0	111.4
63	I	32.5	Very low	49.4	Very low	152 Å²	152	111.3 Å²	111.3	78%	0.779	60%	0.602	S	S	*	*			trans	-134.8	127	173.3	-58.5	179.8	0	0	0	111.2	I61	I61-I63 HydrophobicContact CG2-CD1 4.23Å; I61-I63 HydrophobicContact CG2-CG1 4.1Å
64	A	31.1	Very low	48.9	Very low	91 Å²	91	117.5 Å²	117.5	75%	0.752	63%	0.631	S	S	*	*			trans	-144.9	151.6	161.3	0	0	0	0	0	109.3
65	P	35.3	Very low	48.9	Very low	104 Å²	104	116 Å²	116	68%	0.675	62%	0.624	S	S	*	*			cis	-136.6	155.4	-38.9	36.8	-23.4	0	0	0	112.8
66	K	35.4	Very low	49.7	Very low	179 Å²	179	110.3 Å²	110.3	78%	0.778	60%	0.598	S	S	*	*				171.8	140.9	120.6	-94.9	158	-174.8	176.1	0	113.5
67	Q	36.6	Very low	50.9	Low	179 Å²	179	114 Å²	114	84%	0.836	61%	0.611	S	S	*	*			trans	64.3	128.4	154.2	-65	161.6	-21.8	0	0	117.8
68	S	31.8	Very low	52.6	Low	111 Å²	111	118 Å²	118	78%	0.776	62%	0.619	S	S	*	*			cis	-163.1	94.4	-12.6	52.1	0	0	0	0	111.9
69	D	47.1	Very low	54.4	Low	125 Å²	125	110.1 Å²	110.1	67%	0.668	59%	0.586	S	S	*	*	S	Bend	trans	-143.5	156	146.5	-138.3	-34.6	0	0	0	108.8	P71 K73	D69-P71 WeakPolarHBondContact O-CD 3.48Å; D69-K73 IonicContact OD1-NZ 2.85Å; D69-K73 PolarHBondContact OD1-NZ 2.65Å
70	N	59.9	Low	56.4	Low	68 Å²	68	105.3 Å²	105.3	36%	0.364	57%	0.566	S	S	.	*			trans	-79.8	119.7	-161.6	-175.1	-3.4	0	0	0	111.5	L72 K73	N70-L72 PolarHBondContact O-N 3.08Å; N70-L72 VanDerWaalsContact O-N 3.1Å; N70-L72 WeakPolarHBondContact OD1-CB 3.39Å; N70-L72 PolarHBondContact OD1-N 2.96Å; N70-L72 VanDerWaalsContact OD1-N 3.1Å; N70-K73 HydrophobicContact CB-CD 4.32Å; N70-K73 HydrophobicContact CB-CG 4.17Å; N70-K73 WeakPolarHBondContact O-CB 3.39Å; N70-K73 PolarHBondContact O-N 3.4Å
71	P	58.2	Low	58.7	Low	100 Å²	100	102.6 Å²	102.6	65%	0.649	56%	0.556	S	S	*	*	H	α-helix	trans	-59.8	-25.5	179.2	24.4	-34.9	0	0	0	112.9	D69 K73 E74 A75	D69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 3.04Å; P71-E74 PolarHBondContact O-N 3.16Å; P71-A75 PolarHBondContact O-N 2.87Å; P71-A75 VanDerWaalsContact O-N 3.07Å
72	L	71.6	Confident	61.2	Low	85 Å²	85	98 Å²	98	45%	0.445	53%	0.532	S	S	.	.	H	α-helix	trans	-62.6	-32.3	172.1	-63.1	169.6	0	0	0	112.4	N70 E74 A76 C105 V106	N70-L72 PolarHBondContact O-N 3.08Å; N70-L72 VanDerWaalsContact O-N 3.1Å; N70-L72 WeakPolarHBondContact OD1-CB 3.39Å; N70-L72 PolarHBondContact OD1-N 2.96Å; N70-L72 VanDerWaalsContact OD1-N 3.1Å; L72-E74 VanDerWaalsContact C-N 3.35Å; L72-A76 VanDerWaalsContact O-CB 3.31Å; L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 2.95Å; L72-C105 HydrophobicContact CB-CB 4.45Å; L72-C105 WeakPolarHBondContact CB-O 3.49Å; L72-C105 HydrophobicContact CD2-CB 4.44Å; L72-C105 WeakPolarHBondContact O-CB 3.21Å; L72-V106 HydrophobicContact CB-CG2 3.96Å; L72-V106 WeakPolarHBondContact O-CG2 3.37Å
73	K	76.3	Confident	63.9	Low	96 Å²	96	92.5 Å²	92.5	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-34.4	174.6	-73.5	177	-179.4	170	0	112.1	D69 N70 P71 K77 V106	D69-K73 IonicContact OD1-NZ 2.85Å; D69-K73 PolarHBondContact OD1-NZ 2.65Å; N70-K73 HydrophobicContact CB-CD 4.32Å; N70-K73 HydrophobicContact CB-CG 4.17Å; N70-K73 WeakPolarHBondContact O-CB 3.39Å; N70-K73 PolarHBondContact O-N 3.4Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 3.04Å; K73-K77 WeakPolarHBondContact O-CB 3.45Å; K73-K77 VanDerWaalsContact O-CG 3.3Å; K73-K77 WeakPolarHBondContact O-CG 3.48Å; K73-K77 PolarHBondContact O-N 3Å; K73-V106 HydrophobicContact CB-CG2 4.37Å; K73-V106 HydrophobicContact CG-CG2 3.94Å
74	E	73	Confident	66.3	Low	147 Å²	147	91 Å²	91	69%	0.687	49%	0.485	S	S	*	.	H	α-helix	trans	-73.1	-42.1	176.7	-63.8	-155	126.7	0	0	111.2	P71 L72 A76 K77 Y78	P71-E74 PolarHBondContact O-N 3.16Å; L72-E74 VanDerWaalsContact C-N 3.35Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.29Å; E74-K77 PolarHBondContact O-N 3.46Å; E74-Y78 WeakPolarHBondContact O-CB 3.45Å; E74-Y78 PolarHBondContact O-N 3.02Å
75	A	75.4	Confident	68.6	Low	39 Å²	39	92.2 Å²	92.2	32%	0.322	47%	0.474	S	S	.	.	H	α-helix	trans	-57.6	-45.9	171	0	0	0	0	0	111.9	P71 Y78 S79 C105	P71-A75 PolarHBondContact O-N 2.87Å; P71-A75 VanDerWaalsContact O-N 3.07Å; A75-Y78 PolarHBondContact O-N 3.42Å; A75-S79 PolarHBondContact O-N 3.39Å; A75-S79 PolarHBondContact O-OG 3.27Å; A75-C105 HydrophobicContact CB-CB 4.27Å
76	A	84.1	Confident	70.7	Confident	5 Å²	5	91.2 Å²	91.2	4%	0.041	46%	0.457	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.4	0	0	0	0	0	112.6	L72 E74 Y78 S79 V80 A102 C105 V106 I111	L72-A76 VanDerWaalsContact O-CB 3.31Å; L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 2.95Å; E74-A76 VanDerWaalsContact C-N 3.35Å; E74-A76 PolarHBondContact O-N 3.29Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.96Å; A76-S79 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.45Å; A76-A102 HydrophobicContact CB-CB 4.46Å; A76-C105 HydrophobicContact CB-CB 4.01Å; A76-V106 HydrophobicContact CB-CB 3.92Å; A76-V106 HydrophobicContact CB-CG2 4.08Å; A76-I111 HydrophobicContact CB-CD1 4.35Å
77	K	82.9	Confident	72.5	Confident	152 Å²	152	86.8 Å²	86.8	66%	0.661	45%	0.445	S	S	*	.	H	α-helix	trans	-58.7	-42.3	175	-79.1	175.5	176.5	-178.3	0	112.3	K73 E74 C81	K73-K77 WeakPolarHBondContact O-CB 3.45Å; K73-K77 VanDerWaalsContact O-CG 3.3Å; K73-K77 WeakPolarHBondContact O-CG 3.48Å; K73-K77 PolarHBondContact O-N 3Å; E74-K77 PolarHBondContact O-N 3.46Å; K77-C81 PolarHBondContact O-N 3.04Å; K77-C81 VanDerWaalsContact O-N 3.14Å
78	Y	85.8	Confident	73.9	Confident	152 Å²	152	83.7 Å²	83.7	60%	0.596	44%	0.443	S	S	*	.	H	α-helix	trans	-62.4	-51.1	177.9	179.2	-88	0	0	0	111.4	E74 A75 A76 V80 C81 E82	E74-Y78 WeakPolarHBondContact O-CB 3.45Å; E74-Y78 PolarHBondContact O-N 3.02Å; A75-Y78 PolarHBondContact O-N 3.42Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.96Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.44Å; Y78-C81 PolarHBondContact O-N 3.3Å; Y78-C81 VanDerWaalsContact O-N 3.16Å; Y78-E82 HydrophobicContact CE1-CG 3.85Å; Y78-E82 PolarHBondContact O-N 2.91Å
79	S	85.4	Confident	75.7	Confident	13 Å²	13	83 Å²	83	9%	0.091	44%	0.436	C	S	.	.	H	α-helix	trans	-67.4	-30.9	-178	-63.5	0	0	0	0	113.1	A75 A76 S83 L98	A75-S79 PolarHBondContact O-N 3.39Å; A75-S79 PolarHBondContact O-OG 3.27Å; A76-S79 PolarHBondContact O-N 3Å; S79-S83 WeakPolarHBondContact O-CB 3.28Å; S79-S83 PolarHBondContact O-N 2.97Å; S79-L98 WeakPolarHBondContact CB-O 3.37Å
80	V	86.6	Confident	76.9	Confident	33 Å²	33	79.5 Å²	79.5	20%	0.2	43%	0.43	C	S	.	.	H	α-helix	trans	-62.1	-50.1	168.7	172.6	0	0	0	0	110.8	A76 Y78 E82 S83 E84 L99 A102 I111	A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 3.45Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.44Å; V80-E82 VanDerWaalsContact C-N 3.32Å; V80-E82 PolarHBondContact O-N 3.37Å; V80-S83 WeakPolarHBondContact O-CB 3.43Å; V80-S83 PolarHBondContact O-N 3.32Å; V80-S83 PolarHBondContact O-OG 3.31Å; V80-E84 PolarHBondContact O-N 2.93Å; V80-L99 HydrophobicContact CG2-CD2 4.25Å; V80-A102 HydrophobicContact CG2-CB 3.82Å; V80-I111 HydrophobicContact CG2-CD1 4.16Å; V80-I111 HydrophobicContact CG2-CG1 3.99Å
81	C	84.1	Confident	77.6	Confident	69 Å²	69	79 Å²	79	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-69.2	-25.2	-177.9	-169.8	0	0	0	0	113.8	K77 Y78 K85	K77-C81 PolarHBondContact O-N 3.04Å; K77-C81 VanDerWaalsContact O-N 3.14Å; Y78-C81 PolarHBondContact O-N 3.3Å; Y78-C81 VanDerWaalsContact O-N 3.16Å; C81-K85 WeakPolarHBondContact O-CE 3.46Å
82	E	84.2	Confident	78.6	Confident	37 Å²	37	78.5 Å²	78.5	17%	0.173	42%	0.418	C	S	.	.	H	α-helix	trans	-70.6	-43.4	165	-92.5	-62.1	148.7	0	0	111.9	Y78 V80 E84 K85 Y86 L98	Y78-E82 HydrophobicContact CE1-CG 3.85Å; Y78-E82 PolarHBondContact O-N 2.91Å; V80-E82 VanDerWaalsContact C-N 3.32Å; V80-E82 PolarHBondContact O-N 3.37Å; E82-E84 PolarHBondContact O-N 2.8Å; E82-E84 VanDerWaalsContact O-N 3.11Å; E82-K85 WeakPolarHBondContact O-CB 3.3Å; E82-K85 PolarHBondContact O-N 3.29Å; E82-K85 IonicContact OE1-NZ 3.91Å; E82-K85 PolarHBondContact OE1-NZ 3.36Å; E82-K85 IonicContact OE2-NZ 2.84Å; E82-Y86 WeakPolarHBondContact O-CD2 3.44Å; E82-L98 HydrophobicContact CB-CD1 3.99Å; E82-L98 HydrophobicContact CB-CD2 4.11Å
83	S	85	Confident	78.9	Confident	5 Å²	5	78.7 Å²	78.7	4%	0.035	42%	0.423	C	S	.	.	H	α-helix	trans	-57.3	-32.4	-174.8	76.7	0	0	0	0	113.9	S79 V80 K85 Y86 S95	S79-S83 WeakPolarHBondContact O-CB 3.28Å; S79-S83 PolarHBondContact O-N 2.97Å; V80-S83 WeakPolarHBondContact O-CB 3.43Å; V80-S83 PolarHBondContact O-N 3.32Å; V80-S83 PolarHBondContact O-OG 3.31Å; S83-K85 VanDerWaalsContact C-N 3.31Å; S83-K85 PolarHBondContact O-N 2.88Å; S83-Y86 PolarHBondContact O-N 3.41Å; S83-S95 WeakPolarHBondContact O-CB 3.31Å; S83-S95 PolarHBondContact O-OG 3.16Å
84	E	81.7	Confident	79	Confident	120 Å²	120	77.2 Å²	77.2	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-61.6	-36.7	177	-64.9	177	146	0	0	112.3	V80 E82 Y86 V87	V80-E84 PolarHBondContact O-N 2.93Å; E82-E84 PolarHBondContact O-N 2.8Å; E82-E84 VanDerWaalsContact O-N 3.11Å; E84-Y86 PolarHBondContact O-N 2.87Å; E84-V87 WeakPolarHBondContact O-CB 3.44Å; E84-V87 PolarHBondContact O-N 3.21Å
85	K	80.8	Confident	79.5	Confident	118 Å²	118	70.2 Å²	70.2	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-67.3	-24.9	-178.4	-55.1	177.6	-164	171.1	0	112.7	C81 E82 S83 P89	C81-K85 WeakPolarHBondContact O-CE 3.46Å; E82-K85 WeakPolarHBondContact O-CB 3.3Å; E82-K85 PolarHBondContact O-N 3.29Å; E82-K85 IonicContact OE1-NZ 3.91Å; E82-K85 PolarHBondContact OE1-NZ 3.36Å; E82-K85 IonicContact OE2-NZ 2.84Å; S83-K85 VanDerWaalsContact C-N 3.31Å; S83-K85 PolarHBondContact O-N 2.88Å; K85-P89 WeakPolarHBondContact O-CD 3.39Å
86	Y	78.5	Confident	79.9	Confident	82 Å²	82	69.3 Å²	69.3	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-87.7	-15	178.3	-71.7	-88.8	0	0	0	113.3	E82 S83 E84 P89 N91 D94 L98	E82-Y86 WeakPolarHBondContact O-CD2 3.44Å; S83-Y86 PolarHBondContact O-N 3.41Å; E84-Y86 PolarHBondContact O-N 2.87Å; Y86-P89 WeakPolarHBondContact O-CD 3.34Å; Y86-N91 HydrophobicContact CD1-CB 4.18Å; Y86-N91 PolarHBondContact O-N 3.11Å; Y86-D94 HydrophobicContact CD1-CB 3.71Å; Y86-D94 HydrophobicContact CE1-CB 3.99Å; Y86-D94 HydrophobicContact CG-CB 4.14Å; Y86-L98 HydrophobicContact CD2-CD1 3.55Å; Y86-L98 HydrophobicContact CE2-CD1 3.66Å; Y86-L98 HydrophobicContact CG-CD1 4.47Å
87	V	74	Confident	79.7	Confident	86 Å²	86	72.2 Å²	72.2	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-69.3	-48.8	173.9	-178.1	0	0	0	0	111.1	E84 G90 S95	E84-V87 WeakPolarHBondContact O-CB 3.44Å; E84-V87 PolarHBondContact O-N 3.21Å; V87-G90 PolarHBondContact O-N 2.9Å; V87-S95 WeakPolarHBondContact CG2-OG 3.46Å
88	S	66.2	Low	79.8	Confident	114 Å²	114	66.4 Å²	66.4	80%	0.797	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-40.3	-177.8	-51.5	0	0	0	0	115.6	G90	S88-G90 VanDerWaalsContact C-N 3.3Å
89	P	69	Low	79.9	Confident	97 Å²	97	59.3 Å²	59.3	63%	0.63	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	7.1	173.5	34.5	-38	0	0	0	114.3	K85 Y86 N91	K85-P89 WeakPolarHBondContact O-CD 3.39Å; Y86-P89 WeakPolarHBondContact O-CD 3.34Å; P89-N91 PolarHBondContact O-N 3.35Å
90	G	71.2	Confident	80	Confident	52 Å²	52	63.3 Å²	63.3	54%	0.536	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	15.8	177	0	0	0	0	0	115.5	V87 S88 I92	V87-G90 PolarHBondContact O-N 2.9Å; S88-G90 VanDerWaalsContact C-N 3.3Å; G90-I92 VanDerWaalsContact C-N 3.29Å; G90-I92 PolarHBondContact O-N 3.28Å
91	N	75.4	Confident	79.7	Confident	56 Å²	56	66.8 Å²	66.8	30%	0.299	37%	0.371	S	S	.	.			trans	-86.9	72.3	178.9	-171.5	-2.7	0	0	0	111.1	Y86 P89 T93 D94 S95	Y86-N91 HydrophobicContact CD1-CB 4.18Å; Y86-N91 PolarHBondContact O-N 3.11Å; P89-N91 PolarHBondContact O-N 3.35Å; N91-T93 PolarHBondContact O-N 3.32Å; N91-D94 PolarHBondContact ND2-OD2 3.01Å; N91-D94 PolarHBondContact O-N 3.35Å; N91-S95 PolarHBondContact O-N 3.38Å
92	I	79.6	Confident	79.7	Confident	90 Å²	90	63.5 Å²	63.5	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-54.1	-39.4	-177.1	-64.6	173	0	0	0	111.8	G90 T96 I118	G90-I92 VanDerWaalsContact C-N 3.29Å; G90-I92 PolarHBondContact O-N 3.28Å; I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.45Å; I92-T96 PolarHBondContact O-N 3.41Å; I92-T96 PolarHBondContact O-OG1 3.47Å; I92-I118 HydrophobicContact CG2-CG2 3.65Å
93	T	78	Confident	79.9	Confident	90 Å²	90	65.5 Å²	65.5	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-62.8	-48.4	-174.9	-41.4	0	0	0	0	112.3	N91 T96 N97	N91-T93 PolarHBondContact O-N 3.32Å; T93-T96 WeakPolarHBondContact O-CB 3.45Å; T93-T96 PolarHBondContact O-N 2.65Å; T93-N97 VanDerWaalsContact O-CG 3.23Å; T93-N97 PolarHBondContact O-N 3.49Å; T93-N97 PolarHBondContact O-ND2 2.96Å
94	D	78.4	Confident	79.7	Confident	64 Å²	64	72.1 Å²	72.1	34%	0.342	39%	0.389	S	S	.	.	H	α-helix	trans	-74.6	-37.6	-175.3	-67	-17.4	0	0	0	111.1	Y86 N91 T96 N97 L98	Y86-D94 HydrophobicContact CD1-CB 3.71Å; Y86-D94 HydrophobicContact CE1-CB 3.99Å; Y86-D94 HydrophobicContact CG-CB 4.14Å; N91-D94 PolarHBondContact ND2-OD2 3.01Å; N91-D94 PolarHBondContact O-N 3.35Å; D94-T96 VanDerWaalsContact C-N 3.33Å; D94-T96 PolarHBondContact O-N 2.95Å; D94-N97 PolarHBondContact O-N 3.04Å; D94-L98 WeakPolarHBondContact O-CG 3.32Å; D94-L98 PolarHBondContact O-N 2.89Å
95	S	83.3	Confident	79.5	Confident	1 Å²	1	68 Å²	68	1%	0.007	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-45.5	169.1	-169.8	0	0	0	0	111.8	S83 V87 N91 N97 L98 L99	S83-S95 WeakPolarHBondContact O-CB 3.31Å; S83-S95 PolarHBondContact O-OG 3.16Å; V87-S95 WeakPolarHBondContact CG2-OG 3.46Å; N91-S95 PolarHBondContact O-N 3.38Å; S95-N97 VanDerWaalsContact C-N 3.32Å; S95-N97 PolarHBondContact O-N 2.93Å; S95-L98 PolarHBondContact O-N 3.48Å; S95-L99 WeakPolarHBondContact O-CG 3.44Å; S95-L99 PolarHBondContact O-N 3.31Å
96	T	83.7	Confident	79.6	Confident	20 Å²	20	64 Å²	64	12%	0.123	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-35.2	177	-56.4	0	0	0	0	112.4	I92 T93 D94 K100 I118	I92-T96 VanDerWaalsContact O-CB 3.3Å; I92-T96 WeakPolarHBondContact O-CB 3.45Å; I92-T96 PolarHBondContact O-N 3.41Å; I92-T96 PolarHBondContact O-OG1 3.47Å; T93-T96 WeakPolarHBondContact O-CB 3.45Å; T93-T96 PolarHBondContact O-N 2.65Å; D94-T96 VanDerWaalsContact C-N 3.33Å; D94-T96 PolarHBondContact O-N 2.95Å; T96-K100 HydrophobicContact CG2-CD 4.46Å; T96-K100 VanDerWaalsContact O-CG 3.29Å; T96-K100 WeakPolarHBondContact O-CG 3.42Å; T96-K100 PolarHBondContact O-N 3.03Å; T96-K100 VanDerWaalsContact O-N 3.11Å; T96-I118 WeakPolarHBondContact OG1-CG2 3.49Å
97	N	79.4	Confident	79.8	Confident	66 Å²	66	64.6 Å²	64.6	35%	0.353	37%	0.372	S	S	.	.	H	α-helix	trans	-73.3	-43.3	178.6	-69.8	-24.4	0	0	0	111.6	T93 D94 S95 L99 K100 E101	T93-N97 VanDerWaalsContact O-CG 3.23Å; T93-N97 PolarHBondContact O-N 3.49Å; T93-N97 PolarHBondContact O-ND2 2.96Å; D94-N97 PolarHBondContact O-N 3.04Å; S95-N97 VanDerWaalsContact C-N 3.32Å; S95-N97 PolarHBondContact O-N 2.93Å; N97-L99 VanDerWaalsContact C-N 3.31Å; N97-L99 PolarHBondContact O-N 2.76Å; N97-K100 WeakPolarHBondContact O-CB 3.44Å; N97-K100 PolarHBondContact O-N 3.41Å; N97-K100 VanDerWaalsContact O-N 3.12Å; N97-E101 PolarHBondContact O-N 3.37Å
98	L	86.4	Confident	80.1	Confident	29 Å²	29	62.3 Å²	62.3	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-38.7	174.6	-73.8	160.4	0	0	0	112.2	S79 E82 Y86 D94 S95 E101 A102	S79-L98 WeakPolarHBondContact CB-O 3.37Å; E82-L98 HydrophobicContact CB-CD1 3.99Å; E82-L98 HydrophobicContact CB-CD2 4.11Å; Y86-L98 HydrophobicContact CD2-CD1 3.55Å; Y86-L98 HydrophobicContact CE2-CD1 3.66Å; Y86-L98 HydrophobicContact CG-CD1 4.47Å; D94-L98 WeakPolarHBondContact O-CG 3.32Å; D94-L98 PolarHBondContact O-N 2.89Å; S95-L98 PolarHBondContact O-N 3.48Å; L98-E101 PolarHBondContact O-N 3.06Å; L98-A102 WeakPolarHBondContact O-CB 3.42Å; L98-A102 PolarHBondContact O-N 2.95Å
99	L	88	Confident	80.8	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-35.7	173.5	-73.1	166.7	0	0	0	112.9	V80 S95 N97 A102 Y103 I111 N114 I115 I118	V80-L99 HydrophobicContact CG2-CD2 4.25Å; S95-L99 WeakPolarHBondContact O-CG 3.44Å; S95-L99 PolarHBondContact O-N 3.31Å; N97-L99 VanDerWaalsContact C-N 3.31Å; N97-L99 PolarHBondContact O-N 2.76Å; L99-A102 PolarHBondContact O-N 3.11Å; L99-Y103 WeakPolarHBondContact O-CB 3.29Å; L99-Y103 PolarHBondContact O-N 2.84Å; L99-I111 HydrophobicContact CD2-CG2 4.37Å; L99-I111 WeakPolarHBondContact O-CG2 3.44Å; L99-N114 HydrophobicContact CD1-CB 4.13Å; L99-N114 HydrophobicContact CD2-CB 3.95Å; L99-I115 HydrophobicContact CB-CD1 4.44Å; L99-I115 HydrophobicContact CB-CG1 3.74Å; L99-I118 HydrophobicContact CD1-CD1 3.52Å
100	K	85.6	Confident	81.4	Confident	98 Å²	98	62.9 Å²	62.9	43%	0.426	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-40.8	171.5	-73.4	165	-175.1	162.7	0	111.9	T96 N97 A102 Y103 L104 I115	T96-K100 HydrophobicContact CG2-CD 4.46Å; T96-K100 VanDerWaalsContact O-CG 3.29Å; T96-K100 WeakPolarHBondContact O-CG 3.42Å; T96-K100 PolarHBondContact O-N 3.03Å; T96-K100 VanDerWaalsContact O-N 3.11Å; N97-K100 WeakPolarHBondContact O-CB 3.44Å; N97-K100 PolarHBondContact O-N 3.41Å; N97-K100 VanDerWaalsContact O-N 3.12Å; K100-A102 VanDerWaalsContact C-N 3.34Å; K100-Y103 PolarHBondContact O-N 3.41Å; K100-L104 WeakPolarHBondContact O-CB 3.44Å; K100-L104 VanDerWaalsContact O-CG 3.28Å; K100-L104 WeakPolarHBondContact O-CG 3.48Å; K100-L104 PolarHBondContact O-N 2.9Å; K100-I115 HydrophobicContact CG-CD1 4.46Å
101	E	81.1	Confident	82	Confident	106 Å²	106	61 Å²	61	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-42.2	173.4	-72.1	-179	169.3	0	0	111.3	N97 L98 Y103 L104 C105	N97-E101 PolarHBondContact O-N 3.37Å; L98-E101 PolarHBondContact O-N 3.06Å; E101-Y103 VanDerWaalsContact C-N 3.33Å; E101-Y103 PolarHBondContact O-N 2.91Å; E101-L104 PolarHBondContact O-N 3.41Å; E101-C105 PolarHBondContact O-N 3.38Å; E101-C105 PolarHBondContact O-SG 3.1Å
102	A	84.4	Confident	82.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-42.3	174.4	0	0	0	0	0	112.2	A76 V80 L98 L99 K100 C105 V106 I111	A76-A102 HydrophobicContact CB-CB 4.46Å; V80-A102 HydrophobicContact CG2-CB 3.82Å; L98-A102 WeakPolarHBondContact O-CB 3.42Å; L98-A102 PolarHBondContact O-N 2.95Å; L99-A102 PolarHBondContact O-N 3.11Å; K100-A102 VanDerWaalsContact C-N 3.34Å; A102-C105 PolarHBondContact O-N 3.12Å; A102-V106 PolarHBondContact O-N 2.91Å; A102-I111 HydrophobicContact CB-CD1 4Å; A102-I111 HydrophobicContact CB-CG2 4.14Å
103	Y	88	Confident	82.5	Confident	79 Å²	79	62.1 Å²	62.1	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-67.9	-36.4	176.8	-173.8	-96.1	0	0	0	112.8	L99 K100 E101 C105 V106 P107 I111 E112 I115	L99-Y103 WeakPolarHBondContact O-CB 3.29Å; L99-Y103 PolarHBondContact O-N 2.84Å; K100-Y103 PolarHBondContact O-N 3.41Å; E101-Y103 VanDerWaalsContact C-N 3.33Å; E101-Y103 PolarHBondContact O-N 2.91Å; Y103-C105 VanDerWaalsContact C-N 3.32Å; Y103-V106 CarbonylContact O-C 3.34Å; Y103-V106 VanDerWaalsContact O-C 3.27Å; Y103-P107 HydrophobicContact CE2-CB 4.19Å; Y103-P107 WeakPolarHBondContact O-CD 3.38Å; Y103-P107 VanDerWaalsContact O-N 3.11Å; Y103-I111 HydrophobicContact CD2-CG2 4.37Å; Y103-E112 HydrophobicContact CD2-CB 4.37Å; Y103-E112 HydrophobicContact CE2-CB 3.97Å; Y103-E112 HydrophobicContact CE2-CG 4.24Å; Y103-I115 HydrophobicContact CD2-CD1 4.41Å; Y103-I115 HydrophobicContact CG-CD1 4.14Å
104	L	80.3	Confident	82.5	Confident	144 Å²	144	60.3 Å²	60.3	75%	0.754	33%	0.327	S	S	*	.	H	α-helix	trans	-68.9	-30.3	173.5	-73.7	168.7	0	0	0	112.3	K100 E101	K100-L104 WeakPolarHBondContact O-CB 3.44Å; K100-L104 VanDerWaalsContact O-CG 3.28Å; K100-L104 WeakPolarHBondContact O-CG 3.48Å; K100-L104 PolarHBondContact O-N 2.9Å; E101-L104 PolarHBondContact O-N 3.41Å
105	C	78.3	Confident	82.5	Confident	32 Å²	32	59 Å²	59	22%	0.216	32%	0.32	C	S	.	.	H	α-helix	trans	-73.5	-55.3	172	-65.6	0	0	0	0	111.1	L72 A75 A76 E101 A102 Y103	L72-C105 HydrophobicContact CB-CB 4.45Å; L72-C105 WeakPolarHBondContact CB-O 3.49Å; L72-C105 HydrophobicContact CD2-CB 4.44Å; L72-C105 WeakPolarHBondContact O-CB 3.21Å; A75-C105 HydrophobicContact CB-CB 4.27Å; A76-C105 HydrophobicContact CB-CB 4.01Å; E101-C105 PolarHBondContact O-N 3.38Å; E101-C105 PolarHBondContact O-SG 3.1Å; A102-C105 PolarHBondContact O-N 3.12Å; Y103-C105 VanDerWaalsContact C-N 3.32Å
106	V	82.2	Confident	82.1	Confident	35 Å²	35	60.6 Å²	60.6	21%	0.212	34%	0.336	C	S	.	.	S	Bend	trans	-135.4	107.3	176.1	176.5	0	0	0	0	110	L72 K73 A76 A102 Y103 S108	L72-V106 HydrophobicContact CB-CG2 3.96Å; L72-V106 WeakPolarHBondContact O-CG2 3.37Å; K73-V106 HydrophobicContact CB-CG2 4.37Å; K73-V106 HydrophobicContact CG-CG2 3.94Å; A76-V106 HydrophobicContact CB-CB 3.92Å; A76-V106 HydrophobicContact CB-CG2 4.08Å; A102-V106 PolarHBondContact O-N 2.91Å; Y103-V106 CarbonylContact O-C 3.34Å; Y103-V106 VanDerWaalsContact O-C 3.27Å; V106-S108 PolarHBondContact O-N 3.42Å; V106-S108 VanDerWaalsContact O-N 3.13Å
107	P	82.9	Confident	81.5	Confident	95 Å²	95	66.4 Å²	66.4	62%	0.617	36%	0.362	S	S	*	.			trans	-58	117.5	166.9	-25.6	35.5	0	0	0	109.8	Y103	Y103-P107 HydrophobicContact CE2-CB 4.19Å; Y103-P107 WeakPolarHBondContact O-CD 3.38Å; Y103-P107 VanDerWaalsContact O-N 3.11Å
108	S	79.8	Confident	80.8	Confident	38 Å²	38	65.4 Å²	65.4	27%	0.266	36%	0.356	S	S	.	.			trans	-143.2	135.2	-179.1	174.9	0	0	0	0	109.1	V106 E110 I111 E112	V106-S108 PolarHBondContact O-N 3.42Å; V106-S108 VanDerWaalsContact O-N 3.13Å; S108-E110 PolarHBondContact O-N 3.3Å; S108-E110 PolarHBondContact OG-N 2.98Å; S108-I111 PolarHBondContact O-N 3.28Å; S108-E112 PolarHBondContact O-N 3.17Å
109	A	82.1	Confident	79.1	Confident	78 Å²	78	71.9 Å²	71.9	65%	0.645	38%	0.383	S	S	*	.	H	α-helix	trans	-60.3	-24.7	176.7	0	0	0	0	0	112.7	S113	A109-S113 VanDerWaalsContact O-CB 3.28Å; A109-S113 WeakPolarHBondContact O-CB 3.44Å; A109-S113 PolarHBondContact O-N 2.66Å
110	E	82.2	Confident	77.4	Confident	144 Å²	144	75.8 Å²	75.8	67%	0.673	41%	0.408	S	S	*	.	H	α-helix	trans	-68.7	-46.8	173.5	-174.5	175.2	-151.5	0	0	111.3	S108 S113 N114	S108-E110 PolarHBondContact O-N 3.3Å; S108-E110 PolarHBondContact OG-N 2.98Å; E110-S113 WeakPolarHBondContact O-CB 3.4Å; E110-S113 PolarHBondContact O-N 3.42Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-OD1 2.98Å
111	I	82.7	Confident	75	Confident	12 Å²	12	76.1 Å²	76.1	6%	0.062	43%	0.43	C	S	.	.	H	α-helix	trans	-69.7	-38	176.7	-58.6	169.8	0	0	0	110.2	A76 V80 L99 A102 Y103 S108 S113 N114 I115	A76-I111 HydrophobicContact CB-CD1 4.35Å; V80-I111 HydrophobicContact CG2-CD1 4.16Å; V80-I111 HydrophobicContact CG2-CG1 3.99Å; L99-I111 HydrophobicContact CD2-CG2 4.37Å; L99-I111 WeakPolarHBondContact O-CG2 3.44Å; A102-I111 HydrophobicContact CB-CD1 4Å; A102-I111 HydrophobicContact CB-CG2 4.14Å; Y103-I111 HydrophobicContact CD2-CG2 4.37Å; S108-I111 PolarHBondContact O-N 3.28Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.11Å; I111-N114 PolarHBondContact O-N 3.44Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; I111-I115 WeakPolarHBondContact O-CG1 3.47Å; I111-I115 PolarHBondContact O-N 2.78Å
112	E	83.1	Confident	72.9	Confident	112 Å²	112	81.1 Å²	81.1	52%	0.523	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-37.7	174.7	-163.4	173.8	-167.4	0	0	112	Y103 S108 I115 G116	Y103-E112 HydrophobicContact CD2-CB 4.37Å; Y103-E112 HydrophobicContact CE2-CB 3.97Å; Y103-E112 HydrophobicContact CE2-CG 4.24Å; S108-E112 PolarHBondContact O-N 3.17Å; E112-I115 PolarHBondContact O-N 3.44Å; E112-G116 PolarHBondContact O-N 3.4Å
113	S	82.8	Confident	70.8	Confident	58 Å²	58	86.6 Å²	86.6	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-44.1	170.9	-172.2	0	0	0	0	111.7	A109 E110 I111 I115 G116 Q117	A109-S113 VanDerWaalsContact O-CB 3.28Å; A109-S113 WeakPolarHBondContact O-CB 3.44Å; A109-S113 PolarHBondContact O-N 2.66Å; E110-S113 WeakPolarHBondContact O-CB 3.4Å; E110-S113 PolarHBondContact O-N 3.42Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.11Å; S113-I115 PolarHBondContact O-N 2.67Å; S113-G116 CarbonylContact O-C 3.57Å; S113-G116 WeakPolarHBondContact O-CA 3.49Å; S113-G116 PolarHBondContact O-N 2.93Å; S113-Q117 WeakPolarHBondContact O-CG 3.3Å; S113-Q117 PolarHBondContact O-N 3.34Å; S113-Q117 PolarHBondContact OG-NE2 3.34Å; S113-Q117 VanDerWaalsContact OG-NE2 3.12Å
114	N	77.8	Confident	68.2	Low	52 Å²	52	87 Å²	87	28%	0.278	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-39.1	177.6	-67.1	-10.1	0	0	0	112	L99 E110 I111 G116 I118	L99-N114 HydrophobicContact CD1-CB 4.13Å; L99-N114 HydrophobicContact CD2-CB 3.95Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-OD1 2.98Å; I111-N114 PolarHBondContact O-N 3.44Å; N114-G116 VanDerWaalsContact C-N 3.35Å; N114-I118 WeakPolarHBondContact O-CD1 3.41Å; N114-I118 VanDerWaalsContact O-CG1 3.32Å; N114-I118 WeakPolarHBondContact O-CG1 3.33Å
115	I	79.2	Confident	66	Low	38 Å²	38	86.2 Å²	86.2	20%	0.195	50%	0.502	C	S	.	.	H	α-helix	trans	-64.4	-40.2	169.8	-66.2	167.8	0	0	0	110.8	L99 K100 Y103 I111 E112 S113 Q117 I118	L99-I115 HydrophobicContact CB-CD1 4.44Å; L99-I115 HydrophobicContact CB-CG1 3.74Å; K100-I115 HydrophobicContact CG-CD1 4.46Å; Y103-I115 HydrophobicContact CD2-CD1 4.41Å; Y103-I115 HydrophobicContact CG-CD1 4.14Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; I111-I115 WeakPolarHBondContact O-CG1 3.47Å; I111-I115 PolarHBondContact O-N 2.78Å; E112-I115 PolarHBondContact O-N 3.44Å; S113-I115 PolarHBondContact O-N 2.67Å; I115-Q117 PolarHBondContact O-N 2.77Å; I115-I118 PolarHBondContact O-N 3.33Å
116	G	74	Confident	63.7	Low	33 Å²	33	94.8 Å²	94.8	34%	0.34	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-36.4	-179.6	0	0	0	0	0	114	E112 S113 N114 I118	E112-G116 PolarHBondContact O-N 3.4Å; S113-G116 CarbonylContact O-C 3.57Å; S113-G116 WeakPolarHBondContact O-CA 3.49Å; S113-G116 PolarHBondContact O-N 2.93Å; N114-G116 VanDerWaalsContact C-N 3.35Å; G116-I118 VanDerWaalsContact C-N 3.3Å; G116-I118 PolarHBondContact O-N 3.27Å
117	Q	71.8	Confident	61.2	Low	143 Å²	143	99.1 Å²	99.1	67%	0.668	56%	0.558	S	S	*	*	H	α-helix	trans	-72.5	-19.8	178	-70.9	173.4	54.1	0	0	113.1	S113 I115 K119	S113-Q117 WeakPolarHBondContact O-CG 3.3Å; S113-Q117 PolarHBondContact O-N 3.34Å; S113-Q117 PolarHBondContact OG-NE2 3.34Å; S113-Q117 VanDerWaalsContact OG-NE2 3.12Å; I115-Q117 PolarHBondContact O-N 2.77Å; Q117-K119 PolarHBondContact O-N 2.73Å
118	I	63.7	Low	58.7	Low	44 Å²	44	99.9 Å²	99.9	23%	0.226	57%	0.566	C	S	.	*	S	Bend	trans	-103.3	49.9	-175.1	-54.7	171.9	0	0	0	110.3	I92 T96 L99 N114 I115 G116 P120	I92-I118 HydrophobicContact CG2-CG2 3.65Å; T96-I118 WeakPolarHBondContact OG1-CG2 3.49Å; L99-I118 HydrophobicContact CD1-CD1 3.52Å; N114-I118 WeakPolarHBondContact O-CD1 3.41Å; N114-I118 VanDerWaalsContact O-CG1 3.32Å; N114-I118 WeakPolarHBondContact O-CG1 3.33Å; I115-I118 PolarHBondContact O-N 3.33Å; G116-I118 VanDerWaalsContact C-N 3.3Å; G116-I118 PolarHBondContact O-N 3.27Å; I118-P120 WeakPolarHBondContact O-CD 3.38Å
119	K	52.1	Low	56.1	Low	166 Å²	166	109.4 Å²	109.4	72%	0.722	60%	0.596	S	S	*	*			trans	-109.1	98.6	179.4	-78	-177.7	177.4	173.8	0	113.2	Q117	Q117-K119 PolarHBondContact O-N 2.73Å
120	P	50.6	Low	53.4	Low	84 Å²	84	111.4 Å²	111.4	55%	0.545	60%	0.6	S	S	.	*			trans	-77.5	146.7	161.5	32.3	-32.9	0	0	0	111.3	I118	I118-P120 WeakPolarHBondContact O-CD 3.38Å
121	A	36.6	Very low	50.7	Low	106 Å²	106	109.4 Å²	109.4	88%	0.876	60%	0.602	S	S	*	*			trans	-79.1	153.4	-179.6	0	0	0	0	0	113.5
122	Y	36.3	Very low	48.1	Very low	211 Å²	211	115.5 Å²	115.5	83%	0.827	64%	0.635	S	S	*	*			trans	-154	164.4	-171.9	-101.6	-74.9	0	0	0	108.4
123	P	40.4	Very low	45.5	Very low	115 Å²	115	116.1 Å²	116.1	75%	0.747	65%	0.646	S	S	*	*				-130.3	-171.8	-69.9	39.8	-22.4	0	0	0	112.1
124	A	33.7	Very low	42.9	Very low	86 Å²	86	123.3 Å²	123.3	71%	0.711	67%	0.67	S	S	*	*			trans	-162.5	150.9	154.7	0	0	0	0	0	114.6
125	T	34.3	Very low	40.6	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	68%	0.684	S	S	*	*			trans	62.5	149.7	160.8	55.9	0	0	0	0	121.6
126	Y	29.4	Very low	38.4	Very low	211 Å²	211	129.7 Å²	129.7	83%	0.827	71%	0.705	S	S	*	*			cis	-169.2	151.9	-45.2	-132.8	-82.5	0	0	0	109.5
127	T	29	Very low	36.6	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	72%	0.718	S	S	*	*			trans	84.3	162.4	167.2	74.2	0	0	0	0	121.3
128	S	30.3	Very low	34.8	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	71%	0.71	S	S	*	*			trans	60.2	84.3	-179.6	59.5	0	0	0	0	120.5
129	R	25.4	Very low	33.6	Very low	238 Å²	238	129.4 Å²	129.4	90%	0.898	72%	0.715	S	S	*	*			trans	47.2	142.1	134.6	-72.8	180	171.2	156.1	-2.1	122.9
130	T	25.9	Very low	33.1	Very low	120 Å²	120	127.7 Å²	127.7	74%	0.736	71%	0.71	S	S	*	*			trans	63.7	94.7	153.2	44.3	0	0	0	0	119.9
131	S	25.2	Very low	32.9	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	72%	0.716	S	S	*	*				43.1	101.9	128.8	58.4	0	0	0	0	119.2
132	N	28.9	Very low	33.5	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	70%	0.702	S	S	*	*			trans	-148.8	87.2	154.5	-108.2	-59.6	0	0	0	111.2
133	T	27.6	Very low	34.2	Very low	125 Å²	125	126.6 Å²	126.6	77%	0.767	68%	0.684	S	S	*	*			trans	-98.4	118.9	175.4	46.2	0	0	0	0	111.4
134	K	29.5	Very low	35.5	Very low	209 Å²	209	124.4 Å²	124.4	91%	0.909	67%	0.666	S	S	*	*	S	Bend	trans	56.9	53	158.8	-59.9	-175.4	176	-177.6	0	116.9
135	E	29.1	Very low	37.2	Very low	121 Å²	121	122.4 Å²	122.4	57%	0.565	65%	0.653	S	S	*	*			trans	-119.9	83	164.1	-71.7	-162.8	138.6	0	0	112.3	K139	E135-K139 HydrophobicContact CB-CD 4.48Å; E135-K139 WeakPolarHBondContact O-CD 3Å; E135-K139 WeakPolarHBondContact OE2-CE 3.22Å; E135-K139 IonicContact OE2-NZ 3.63Å; E135-K139 PolarHBondContact OE2-NZ 2.71Å
136	T	32.8	Very low	39.2	Very low	104 Å²	104	119.8 Å²	119.8	64%	0.638	63%	0.634	S	S	*	*	S	Bend	trans	-122.7	-55.6	174.8	48.1	0	0	0	0	112.5	G138 K139 E140	T136-G138 PolarHBondContact O-N 2.98Å; T136-G138 VanDerWaalsContact O-N 3.12Å; T136-K139 PolarHBondContact O-N 3Å; T136-E140 PolarHBondContact O-N 3.4Å; T136-E140 VanDerWaalsContact O-N 3.12Å
137	S	36	Very low	41.6	Very low	86 Å²	86	110.7 Å²	110.7	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-62.7	-21.1	-178.2	60.2	0	0	0	0	115
138	G	34.9	Very low	44	Very low	49 Å²	49	110.8 Å²	110.8	51%	0.505	59%	0.589	S	S	.	*	H	α-helix	trans	-77.6	-37.9	170.8	0	0	0	0	0	113.3	T136 K141 L142	T136-G138 PolarHBondContact O-N 2.98Å; T136-G138 VanDerWaalsContact O-N 3.12Å; G138-K141 PolarHBondContact O-N 2.84Å; G138-L142 PolarHBondContact O-N 3.46Å
139	K	36.8	Very low	46.4	Very low	79 Å²	79	108.5 Å²	108.5	34%	0.343	58%	0.576	S	S	.	*	H	α-helix	trans	-74.2	-38.5	-177.7	-69.2	177.3	-176.2	155	0	111.4	E135 T136 K141 L142 Y143	E135-K139 HydrophobicContact CB-CD 4.48Å; E135-K139 WeakPolarHBondContact O-CD 3Å; E135-K139 WeakPolarHBondContact OE2-CE 3.22Å; E135-K139 IonicContact OE2-NZ 3.63Å; E135-K139 PolarHBondContact OE2-NZ 2.71Å; T136-K139 PolarHBondContact O-N 3Å; K139-K141 VanDerWaalsContact C-N 3.33Å; K139-K141 PolarHBondContact O-N 3.46Å; K139-L142 WeakPolarHBondContact O-CB 3.47Å; K139-L142 PolarHBondContact O-N 3.04Å; K139-L142 VanDerWaalsContact O-N 3.11Å; K139-Y143 HydrophobicContact CB-CD2 4.48Å; K139-Y143 HydrophobicContact CB-CE2 4.11Å; K139-Y143 WeakPolarHBondContact O-CD2 3.33Å; K139-Y143 PolarHBondContact O-N 3.43Å
140	E	42	Very low	49.3	Very low	129 Å²	129	98.4 Å²	98.4	60%	0.603	54%	0.54	S	S	*	.	H	α-helix	trans	-57.2	-43.1	172.7	-67.6	-179.5	137.6	0	0	112.5	T136 L142 Y143 D144	T136-E140 PolarHBondContact O-N 3.4Å; T136-E140 VanDerWaalsContact O-N 3.12Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.24Å; E140-Y143 PolarHBondContact O-N 2.68Å; E140-D144 PolarHBondContact O-N 3.16Å
141	K	46.7	Very low	52.2	Low	158 Å²	158	94.3 Å²	94.3	69%	0.687	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-35.6	175.5	-73.3	-175.9	176.4	-175.2	0	113	G138 K139 G145	G138-K141 PolarHBondContact O-N 2.84Å; K139-K141 VanDerWaalsContact C-N 3.33Å; K139-K141 PolarHBondContact O-N 3.46Å; K141-G145 PolarHBondContact O-N 3.15Å
142	L	48.6	Very low	55	Low	110 Å²	110	92.1 Å²	92.1	58%	0.576	49%	0.493	S	S	*	.	H	α-helix	trans	-67.2	-45.1	176.5	-171.7	68.4	0	0	0	111.1	G138 K139 E140 D144 G145 I146	G138-L142 PolarHBondContact O-N 3.46Å; K139-L142 WeakPolarHBondContact O-CB 3.47Å; K139-L142 PolarHBondContact O-N 3.04Å; K139-L142 VanDerWaalsContact O-N 3.11Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.24Å; L142-D144 PolarHBondContact O-N 2.67Å; L142-G145 PolarHBondContact O-N 3.05Å; L142-I146 HydrophobicContact CG-CD1 4.18Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 3.23Å; L142-I146 VanDerWaalsContact O-N 3.13Å
143	Y	52.2	Low	57.7	Low	111 Å²	111	90.8 Å²	90.8	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-64.5	-36.7	176.9	-67.6	-57.1	0	0	0	112.8	K139 E140 G145 I146 Q147 L176	K139-Y143 HydrophobicContact CB-CD2 4.48Å; K139-Y143 HydrophobicContact CB-CE2 4.11Å; K139-Y143 WeakPolarHBondContact O-CD2 3.33Å; K139-Y143 PolarHBondContact O-N 3.43Å; E140-Y143 PolarHBondContact O-N 2.68Å; Y143-G145 PolarHBondContact O-N 3.36Å; Y143-I146 PolarHBondContact O-N 3.05Å; Y143-Q147 WeakPolarHBondContact O-CB 3.08Å; Y143-Q147 PolarHBondContact O-N 3.27Å; Y143-L176 HydrophobicContact CD1-CD2 4.17Å; Y143-L176 HydrophobicContact CE1-CD2 4.46Å
144	D	66.4	Low	60.5	Low	69 Å²	69	85 Å²	85	37%	0.369	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-39.7	174.8	-82.1	26.6	0	0	0	112.3	E140 L142 F148 K177	E140-D144 PolarHBondContact O-N 3.16Å; L142-D144 PolarHBondContact O-N 2.67Å; D144-F148 WeakPolarHBondContact O-CB 3.49Å; D144-F148 PolarHBondContact O-N 3.36Å; D144-K177 WeakPolarHBondContact OD1-CD 3.41Å; D144-K177 WeakPolarHBondContact OD1-CE 3.29Å; D144-K177 IonicContact OD1-NZ 3.1Å; D144-K177 PolarHBondContact OD1-NZ 2.83Å; D144-K177 IonicContact OD2-NZ 3.85Å; D144-K177 PolarHBondContact OD2-NZ 3.37Å
145	G	70.5	Confident	63.2	Low	44 Å²	44	79.3 Å²	79.3	45%	0.454	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-46.7	174.6	0	0	0	0	0	112.9	K141 L142 Y143 F148 A149	K141-G145 PolarHBondContact O-N 3.15Å; L142-G145 PolarHBondContact O-N 3.05Å; Y143-G145 PolarHBondContact O-N 3.36Å; G145-F148 PolarHBondContact O-N 3.28Å; G145-A149 PolarHBondContact O-N 3.31Å; G145-A149 VanDerWaalsContact O-N 3.11Å
146	I	75.3	Confident	65.9	Low	74 Å²	74	78.9 Å²	78.9	38%	0.379	42%	0.422	S	S	.	.	H	α-helix	trans	-66.5	-41.2	179.2	-59.5	165.3	0	0	0	110.8	L142 Y143 F148 A149 L150 L176	L142-I146 HydrophobicContact CG-CD1 4.18Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 3.23Å; L142-I146 VanDerWaalsContact O-N 3.13Å; Y143-I146 PolarHBondContact O-N 3.05Å; I146-F148 VanDerWaalsContact C-N 3.35Å; I146-F148 PolarHBondContact O-N 2.95Å; I146-A149 PolarHBondContact O-N 3.39Å; I146-L150 HydrophobicContact CG2-CD1 4.26Å; I146-L150 WeakPolarHBondContact O-CG 3.31Å; I146-L150 PolarHBondContact O-N 2.93Å; I146-L150 VanDerWaalsContact O-N 3.15Å; I146-L176 HydrophobicContact CB-CD1 4.17Å; I146-L176 HydrophobicContact CG2-CD1 3.52Å
147	Q	81.3	Confident	68.5	Low	19 Å²	19	75.2 Å²	75.2	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-60.2	-44	174.3	173.2	169.6	84.3	0	0	111.4	Y143 L150 I151 A173 K177	Y143-Q147 WeakPolarHBondContact O-CB 3.08Å; Y143-Q147 PolarHBondContact O-N 3.27Å; Q147-L150 PolarHBondContact O-N 2.96Å; Q147-I151 HydrophobicContact CG-CD1 3.65Å; Q147-I151 HydrophobicContact CG-CG1 4.38Å; Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.38Å; Q147-I151 PolarHBondContact O-N 2.88Å; Q147-A173 HydrophobicContact CG-CB 4.41Å; Q147-A173 PolarHBondContact NE2-O 3.09Å; Q147-K177 PolarHBondContact NE2-O 2.94Å
148	F	78.6	Confident	71	Confident	129 Å²	129	77.3 Å²	77.3	57%	0.566	39%	0.394	S	S	*	.	H	α-helix	trans	-62	-45.6	179.9	-165.6	-81.3	0	0	0	111.7	D144 G145 I146 L150 I151 D152	D144-F148 WeakPolarHBondContact O-CB 3.49Å; D144-F148 PolarHBondContact O-N 3.36Å; G145-F148 PolarHBondContact O-N 3.28Å; I146-F148 VanDerWaalsContact C-N 3.35Å; I146-F148 PolarHBondContact O-N 2.95Å; F148-L150 PolarHBondContact O-N 3.34Å; F148-I151 PolarHBondContact O-N 3.4Å; F148-D152 PolarHBondContact O-N 2.86Å
149	A	81.1	Confident	73.3	Confident	63 Å²	63	82.2 Å²	82.2	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.3	0	0	0	0	0	112.9	G145 I146 D152 K153	G145-A149 PolarHBondContact O-N 3.31Å; G145-A149 VanDerWaalsContact O-N 3.11Å; I146-A149 PolarHBondContact O-N 3.39Å; A149-D152 PolarHBondContact O-N 3.16Å; A149-K153 PolarHBondContact O-N 2.95Å
150	L	85.4	Confident	75.4	Confident	26 Å²	26	82.7 Å²	82.7	14%	0.136	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-40	174.9	-70.9	167.4	0	0	0	112.2	I146 Q147 F148 K153 A154 L169 K172 A173 L176	I146-L150 HydrophobicContact CG2-CD1 4.26Å; I146-L150 WeakPolarHBondContact O-CG 3.31Å; I146-L150 PolarHBondContact O-N 2.93Å; I146-L150 VanDerWaalsContact O-N 3.15Å; Q147-L150 PolarHBondContact O-N 2.96Å; F148-L150 PolarHBondContact O-N 3.34Å; L150-K153 PolarHBondContact O-N 3.12Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.38Å; L150-L169 HydrophobicContact CD2-CD2 4.03Å; L150-K172 HydrophobicContact CD1-CB 4.44Å; L150-K172 HydrophobicContact CD1-CG 4.04Å; L150-K172 HydrophobicContact CD2-CD 4.43Å; L150-A173 HydrophobicContact CB-CB 3.89Å; L150-A173 HydrophobicContact CD1-CB 4.31Å; L150-L176 HydrophobicContact CD1-CD1 3.57Å
151	I	87.1	Confident	77.4	Confident	33 Å²	33	78.4 Å²	78.4	17%	0.169	41%	0.407	C	S	.	.	H	α-helix	trans	-65.9	-37.3	177.8	-70.6	169.4	0	0	0	111.4	Q147 F148 A154 K155 A173 V182	Q147-I151 HydrophobicContact CG-CD1 3.65Å; Q147-I151 HydrophobicContact CG-CG1 4.38Å; Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.38Å; Q147-I151 PolarHBondContact O-N 2.88Å; F148-I151 PolarHBondContact O-N 3.4Å; I151-A154 PolarHBondContact O-N 3.45Å; I151-K155 WeakPolarHBondContact O-CG 3.41Å; I151-K155 PolarHBondContact O-N 3.01Å; I151-A173 HydrophobicContact CG1-CB 4.03Å; I151-V182 HydrophobicContact CD1-CG2 3.74Å; I151-V182 HydrophobicContact CG1-CG2 4.42Å
152	D	83.6	Confident	79.3	Confident	57 Å²	57	73.9 Å²	73.9	31%	0.305	39%	0.391	S	S	.	.	H	α-helix	trans	-74.3	-38.9	177.4	-87.9	24	0	0	0	112.5	F148 A149 A154 K155 L156	F148-D152 PolarHBondContact O-N 2.86Å; A149-D152 PolarHBondContact O-N 3.16Å; D152-A154 VanDerWaalsContact C-N 3.27Å; D152-A154 PolarHBondContact O-N 3.25Å; D152-K155 WeakPolarHBondContact O-CB 3.11Å; D152-K155 PolarHBondContact O-N 2.97Å; D152-K155 VanDerWaalsContact O-N 3.15Å; D152-K155 WeakPolarHBondContact OD1-CE 3.5Å; D152-K155 IonicContact OD1-NZ 3.8Å; D152-K155 PolarHBondContact OD1-NZ 3.26Å; D152-K155 IonicContact OD2-NZ 3.27Å; D152-L156 PolarHBondContact O-N 3.43Å
153	K	85.5	Confident	81.2	Confident	112 Å²	112	71.2 Å²	71.2	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-36.3	170.1	-169.5	179.3	174	-168	0	111.7	A149 L150 L156 L157 L169	A149-K153 PolarHBondContact O-N 2.95Å; L150-K153 PolarHBondContact O-N 3.12Å; K153-L156 WeakPolarHBondContact O-CA 3.45Å; K153-L156 PolarHBondContact O-N 3.04Å; K153-L156 VanDerWaalsContact O-N 3.15Å; K153-L157 HydrophobicContact CG-CD1 4.46Å; K153-L157 PolarHBondContact O-N 3.22Å; K153-L169 HydrophobicContact CB-CD1 3.79Å; K153-L169 HydrophobicContact CD-CD1 3.56Å; K153-L169 HydrophobicContact CG-CD1 3.51Å
154	A	88	Confident	82.7	Confident	3 Å²	3	70.2 Å²	70.2	3%	0.025	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-34.7	173.4	0	0	0	0	0	113.4	L150 I151 D152 L156 L157 Y158 C166 L169 L170	L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.38Å; I151-A154 PolarHBondContact O-N 3.45Å; D152-A154 VanDerWaalsContact C-N 3.27Å; D152-A154 PolarHBondContact O-N 3.25Å; A154-L156 VanDerWaalsContact C-N 3.29Å; A154-L157 PolarHBondContact O-N 3.33Å; A154-Y158 WeakPolarHBondContact O-CB 3.29Å; A154-Y158 PolarHBondContact O-N 3.4Å; A154-C166 PolarHBondContact O-SG 3.04Å; A154-L169 HydrophobicContact CB-CB 4.16Å; A154-L170 HydrophobicContact CB-CD2 3.91Å; A154-L170 HydrophobicContact CB-CG 3.86Å
155	K	86	Confident	83.6	Confident	90 Å²	90	69.2 Å²	69.2	39%	0.391	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-42	168.5	-65.2	170.2	-170.9	166.2	0	110.9	I151 D152 L157 Y158 Q159	I151-K155 WeakPolarHBondContact O-CG 3.41Å; I151-K155 PolarHBondContact O-N 3.01Å; D152-K155 WeakPolarHBondContact O-CB 3.11Å; D152-K155 PolarHBondContact O-N 2.97Å; D152-K155 VanDerWaalsContact O-N 3.15Å; D152-K155 WeakPolarHBondContact OD1-CE 3.5Å; D152-K155 IonicContact OD1-NZ 3.8Å; D152-K155 PolarHBondContact OD1-NZ 3.26Å; D152-K155 IonicContact OD2-NZ 3.27Å; K155-L157 PolarHBondContact O-N 2.97Å; K155-Y158 PolarHBondContact O-N 2.97Å; K155-Q159 WeakPolarHBondContact O-CG 3.24Å; K155-Q159 PolarHBondContact O-N 2.93Å
156	L	84.9	Confident	84.6	Confident	112 Å²	112	67.2 Å²	67.2	59%	0.586	35%	0.351	S	S	*	.	H	α-helix	trans	-42	-62.8	171.2	62.4	57.5	0	0	0	111.9	D152 K153 A154 Q159 S160	D152-L156 PolarHBondContact O-N 3.43Å; K153-L156 WeakPolarHBondContact O-CA 3.45Å; K153-L156 PolarHBondContact O-N 3.04Å; K153-L156 VanDerWaalsContact O-N 3.15Å; A154-L156 VanDerWaalsContact C-N 3.29Å; L156-Q159 WeakPolarHBondContact O-CB 3.35Å; L156-Q159 PolarHBondContact O-N 3.32Å; L156-Q159 VanDerWaalsContact O-N 3.12Å; L156-S160 PolarHBondContact O-N 3.46Å; L156-S160 VanDerWaalsContact O-N 3.12Å
157	L	87.9	Confident	85.3	Confident	26 Å²	26	64.1 Å²	64.1	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-69.2	-35.9	-173.7	-65.1	154	0	0	0	112.9	K153 A154 K155 Q159 S160 G161 D162 E165 C166 L169	K153-L157 HydrophobicContact CG-CD1 4.46Å; K153-L157 PolarHBondContact O-N 3.22Å; A154-L157 PolarHBondContact O-N 3.33Å; K155-L157 PolarHBondContact O-N 2.97Å; L157-Q159 PolarHBondContact O-N 3.03Å; L157-S160 WeakPolarHBondContact CA-OG 3.27Å; L157-S160 CarbonylContact O-C 3.59Å; L157-S160 PolarHBondContact O-N 2.98Å; L157-S160 VanDerWaalsContact O-N 3.15Å; L157-S160 PolarHBondContact O-OG 3.5Å; L157-G161 PolarHBondContact O-N 3.37Å; L157-D162 HydrophobicContact CB-CB 4.27Å; L157-D162 HydrophobicContact CD2-CB 4Å; L157-D162 PolarHBondContact O-N 3.26Å; L157-E165 HydrophobicContact CD1-CB 4.04Å; L157-E165 HydrophobicContact CD1-CG 3.47Å; L157-E165 VanDerWaalsContact CD1-CG 3.47Å; L157-E165 HydrophobicContact CD2-CB 4.23Å; L157-E165 HydrophobicContact CD2-CG 3.99Å; L157-E165 HydrophobicContact CG-CG 4.35Å; L157-C166 HydrophobicContact CB-CB 3.94Å; L157-L169 HydrophobicContact CD1-CD1 3.52Å; L157-L169 HydrophobicContact CD1-CG 4.29Å
158	Y	87.4	Confident	85.7	Confident	130 Å²	130	69.9 Å²	69.9	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-33.2	172.2	-169.7	-89.9	0	0	0	112.2	A154 K155 Y163 I189	A154-Y158 WeakPolarHBondContact O-CB 3.29Å; A154-Y158 PolarHBondContact O-N 3.4Å; K155-Y158 PolarHBondContact O-N 2.97Å; Y158-Y163 HydrophobicContact CD2-CD1 4.09Å; Y158-Y163 AromaticContact CD2-CE1 3.97Å; Y158-Y163 HydrophobicContact CD2-CE1 3.97Å; Y158-Y163 HydrophobicContact CE2-CD1 4.16Å; Y158-Y163 AromaticContact CE2-CE1 3.82Å; Y158-Y163 HydrophobicContact CE2-CE1 3.82Å; Y158-I189 HydrophobicContact CD2-CD1 4.16Å; Y158-I189 HydrophobicContact CD2-CG1 4.44Å; Y158-I189 HydrophobicContact CE2-CD1 4.44Å; Y158-I189 HydrophobicContact CE2-CG1 4.28Å
159	Q	83.4	Confident	86.1	Confident	152 Å²	152	64 Å²	64	71%	0.71	33%	0.331	S	S	*	.	H	α-helix	trans	-78.6	-24.8	175	-71.6	179.1	-26.4	0	0	113.3	K155 L156 L157	K155-Q159 WeakPolarHBondContact O-CG 3.24Å; K155-Q159 PolarHBondContact O-N 2.93Å; L156-Q159 WeakPolarHBondContact O-CB 3.35Å; L156-Q159 PolarHBondContact O-N 3.32Å; L156-Q159 VanDerWaalsContact O-N 3.12Å; L157-Q159 PolarHBondContact O-N 3.03Å
160	S	81.7	Confident	86.6	Confident	89 Å²	89	61.1 Å²	61.1	62%	0.622	31%	0.306	S	S	*	.	H	α-helix	trans	-91.2	1.7	174.2	68.3	0	0	0	0	114.3	L156 L157	L156-S160 PolarHBondContact O-N 3.46Å; L156-S160 VanDerWaalsContact O-N 3.12Å; L157-S160 WeakPolarHBondContact CA-OG 3.27Å; L157-S160 CarbonylContact O-C 3.59Å; L157-S160 PolarHBondContact O-N 2.98Å; L157-S160 VanDerWaalsContact O-N 3.15Å; L157-S160 PolarHBondContact O-OG 3.5Å
161	G	84.2	Confident	86.8	Confident	39 Å²	39	63.6 Å²	63.6	40%	0.402	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	8.6	179.9	0	0	0	0	0	115.6	L157 Y163	L157-G161 PolarHBondContact O-N 3.37Å; G161-Y163 WeakPolarHBondContact O-CD2 3.36Å; G161-Y163 WeakPolarHBondContact O-CE2 3.45Å; G161-Y163 PolarHBondContact O-N 3.33Å
162	D	86.9	Confident	86.8	Confident	64 Å²	64	67.9 Å²	67.9	34%	0.342	33%	0.334	S	S	.	.			trans	-87.8	84.7	174.9	-175.3	-11.5	0	0	0	110	L157 V164 E165 C166	L157-D162 HydrophobicContact CB-CB 4.27Å; L157-D162 HydrophobicContact CD2-CB 4Å; L157-D162 PolarHBondContact O-N 3.26Å; D162-V164 VanDerWaalsContact C-N 3.31Å; D162-V164 PolarHBondContact OD1-N 3.43Å; D162-E165 PolarHBondContact OD1-N 3.15Å; D162-E165 VanDerWaalsContact OD2-CB 3.32Å; D162-E165 WeakPolarHBondContact OD2-CB 3.23Å; D162-C166 WeakPolarHBondContact O-CB 3.4Å; D162-C166 PolarHBondContact O-N 3.13Å
163	Y	87.4	Confident	87	Confident	54 Å²	54	65.2 Å²	65.2	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-72	-23.4	-179.4	-58.8	-71.1	0	0	0	113.3	Y158 G161 L167 Y192	Y158-Y163 HydrophobicContact CD2-CD1 4.09Å; Y158-Y163 AromaticContact CD2-CE1 3.97Å; Y158-Y163 HydrophobicContact CD2-CE1 3.97Å; Y158-Y163 HydrophobicContact CE2-CD1 4.16Å; Y158-Y163 AromaticContact CE2-CE1 3.82Å; Y158-Y163 HydrophobicContact CE2-CE1 3.82Å; G161-Y163 WeakPolarHBondContact O-CD2 3.36Å; G161-Y163 WeakPolarHBondContact O-CE2 3.45Å; G161-Y163 PolarHBondContact O-N 3.33Å; Y163-L167 WeakPolarHBondContact O-CB 3.36Å; Y163-L167 PolarHBondContact O-N 3.42Å; Y163-Y192 HydrophobicContact CD1-CD1 4.35Å; Y163-Y192 HydrophobicContact CD1-CE1 4.3Å; Y163-Y192 HydrophobicContact CD2-CD1 4.35Å; Y163-Y192 AromaticContact CD2-CE1 3.72Å; Y163-Y192 HydrophobicContact CD2-CE1 3.72Å; Y163-Y192 HydrophobicContact CE1-CE1 4.18Å; Y163-Y192 HydrophobicContact CE2-CD1 4.49Å; Y163-Y192 AromaticContact CE2-CE1 3.57Å; Y163-Y192 HydrophobicContact CE2-CE1 3.57Å; Y163-Y192 HydrophobicContact CG-CD1 4.27Å; Y163-Y192 HydrophobicContact CG-CE1 4.09Å; Y163-Y192 AromaticContact CZ-CE1 3.81Å
164	V	85.1	Confident	87.1	Confident	90 Å²	90	62.6 Å²	62.6	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-80	-51.9	-174.6	-178.6	0	0	0	0	110.8	D162 C166 L167 R168 L193	D162-V164 VanDerWaalsContact C-N 3.31Å; D162-V164 PolarHBondContact OD1-N 3.43Å; V164-C166 VanDerWaalsContact C-N 3.27Å; V164-C166 PolarHBondContact O-N 3.27Å; V164-L167 PolarHBondContact O-N 3.24Å; V164-R168 PolarHBondContact O-N 2.63Å; V164-L193 HydrophobicContact CG2-CD2 4.41Å
165	E	85.3	Confident	86.9	Confident	47 Å²	47	68.8 Å²	68.8	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-32.3	174.1	179.7	65.9	-178.3	0	0	110.5	L157 D162 R168 L169	L157-E165 HydrophobicContact CD1-CB 4.04Å; L157-E165 HydrophobicContact CD1-CG 3.47Å; L157-E165 VanDerWaalsContact CD1-CG 3.47Å; L157-E165 HydrophobicContact CD2-CB 4.23Å; L157-E165 HydrophobicContact CD2-CG 3.99Å; L157-E165 HydrophobicContact CG-CG 4.35Å; D162-E165 PolarHBondContact OD1-N 3.15Å; D162-E165 VanDerWaalsContact OD2-CB 3.32Å; D162-E165 WeakPolarHBondContact OD2-CB 3.23Å; E165-R168 PolarHBondContact O-N 3.1Å; E165-R168 IonicContact OE1-CZ 3.56Å; E165-R168 IonicContact OE1-NE 3.76Å; E165-R168 IonicContact OE1-NH2 2.69Å; E165-R168 PolarHBondContact OE1-NH2 3.02Å; E165-R168 IonicContact OE2-CZ 3.04Å; E165-R168 IonicContact OE2-NE 2.65Å; E165-R168 PolarHBondContact OE2-NE 2.81Å; E165-R168 IonicContact OE2-NH2 3.73Å; E165-R168 PolarHBondContact OE2-NH2 3.09Å; E165-L169 WeakPolarHBondContact O-CG 3.3Å; E165-L169 PolarHBondContact O-N 3.2Å
166	C	90.1	Very high	86.6	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.014	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-48.5	171	-175.5	0	0	0	0	111.8	A154 L157 D162 V164 R168 L169 L170	A154-C166 PolarHBondContact O-SG 3.04Å; L157-C166 HydrophobicContact CB-CB 3.94Å; D162-C166 WeakPolarHBondContact O-CB 3.4Å; D162-C166 PolarHBondContact O-N 3.13Å; V164-C166 VanDerWaalsContact C-N 3.27Å; V164-C166 PolarHBondContact O-N 3.27Å; C166-R168 PolarHBondContact O-N 2.91Å; C166-L169 PolarHBondContact O-N 3.32Å; C166-L170 WeakPolarHBondContact O-CG 3.37Å; C166-L170 PolarHBondContact O-N 3.24Å
167	L	90.5	Very high	86.4	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-44.7	176.7	-178	62.1	0	0	0	111.4	Y163 V164 L169 L170 K171 I186 I189 E190 L193 V200	Y163-L167 WeakPolarHBondContact O-CB 3.36Å; Y163-L167 PolarHBondContact O-N 3.42Å; V164-L167 PolarHBondContact O-N 3.24Å; L167-L169 PolarHBondContact O-N 2.96Å; L167-L170 PolarHBondContact O-N 2.71Å; L167-K171 HydrophobicContact CD1-CG 4.48Å; L167-K171 HydrophobicContact CG-CD 4.38Å; L167-K171 PolarHBondContact O-N 3.22Å; L167-I186 HydrophobicContact CD1-CB 4.38Å; L167-I186 HydrophobicContact CD1-CG1 4.41Å; L167-I186 HydrophobicContact CD1-CG2 3.96Å; L167-I189 HydrophobicContact CB-CG2 4.14Å; L167-I189 HydrophobicContact CD1-CG2 4.39Å; L167-E190 HydrophobicContact CD1-CG 3.73Å; L167-E190 HydrophobicContact CD2-CG 3.83Å; L167-E190 HydrophobicContact CG-CG 4.46Å; L167-L193 HydrophobicContact CD2-CD1 3.85Å; L167-V200 HydrophobicContact CD2-CG1 3.9Å
168	R	88.8	Confident	86	Confident	139 Å²	139	72.6 Å²	72.6	53%	0.525	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-44.9	178.6	-163.5	-172.4	70	107.5	-4.4	112.3	V164 E165 C166 K171 K172	V164-R168 PolarHBondContact O-N 2.63Å; E165-R168 PolarHBondContact O-N 3.1Å; E165-R168 IonicContact OE1-CZ 3.56Å; E165-R168 IonicContact OE1-NE 3.76Å; E165-R168 IonicContact OE1-NH2 2.69Å; E165-R168 PolarHBondContact OE1-NH2 3.02Å; E165-R168 IonicContact OE2-CZ 3.04Å; E165-R168 IonicContact OE2-NE 2.65Å; E165-R168 PolarHBondContact OE2-NE 2.81Å; E165-R168 IonicContact OE2-NH2 3.73Å; E165-R168 PolarHBondContact OE2-NH2 3.09Å; C166-R168 PolarHBondContact O-N 2.91Å; R168-K171 PolarHBondContact O-N 2.92Å; R168-K172 PolarHBondContact O-N 3.46Å
169	L	88.1	Confident	85.7	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-34.1	176.7	-65.4	-170.9	0	0	0	112.8	L150 K153 A154 L157 E165 C166 L167 K172 A173	L150-L169 HydrophobicContact CD2-CD2 4.03Å; K153-L169 HydrophobicContact CB-CD1 3.79Å; K153-L169 HydrophobicContact CD-CD1 3.56Å; K153-L169 HydrophobicContact CG-CD1 3.51Å; A154-L169 HydrophobicContact CB-CB 4.16Å; L157-L169 HydrophobicContact CD1-CD1 3.52Å; L157-L169 HydrophobicContact CD1-CG 4.29Å; E165-L169 WeakPolarHBondContact O-CG 3.3Å; E165-L169 PolarHBondContact O-N 3.2Å; C166-L169 PolarHBondContact O-N 3.32Å; L167-L169 PolarHBondContact O-N 2.96Å; L169-K172 PolarHBondContact O-N 3.43Å; L169-A173 WeakPolarHBondContact O-CB 3.28Å; L169-A173 PolarHBondContact O-N 3.19Å
170	L	90.8	Very high	85.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-69.6	-40.9	174.8	-69.9	168.9	0	0	0	112.2	A154 C166 L167 A173 Y174 V182 K185 I186 I189	A154-L170 HydrophobicContact CB-CD2 3.91Å; A154-L170 HydrophobicContact CB-CG 3.86Å; C166-L170 WeakPolarHBondContact O-CG 3.37Å; C166-L170 PolarHBondContact O-N 3.24Å; L167-L170 PolarHBondContact O-N 2.71Å; L170-A173 PolarHBondContact O-N 3.39Å; L170-Y174 WeakPolarHBondContact O-CB 3.36Å; L170-Y174 PolarHBondContact O-N 3.23Å; L170-V182 HydrophobicContact CB-CG1 4.44Å; L170-V182 HydrophobicContact CD2-CG1 4.22Å; L170-K185 HydrophobicContact CD1-CB 4.08Å; L170-K185 HydrophobicContact CD2-CD 4.28Å; L170-I186 HydrophobicContact CB-CD1 4.28Å; L170-I186 HydrophobicContact CB-CG1 3.74Å; L170-I189 HydrophobicContact CD1-CD1 3.52Å
171	K	90.4	Very high	85.7	Confident	79 Å²	79	70.1 Å²	70.1	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-45.4	171.8	-72.7	-177.1	177.8	-178.5	0	110.8	L167 R168 A173 Y174 N175 I186 E190	L167-K171 HydrophobicContact CD1-CG 4.48Å; L167-K171 HydrophobicContact CG-CD 4.38Å; L167-K171 PolarHBondContact O-N 3.22Å; R168-K171 PolarHBondContact O-N 2.92Å; K171-A173 PolarHBondContact O-N 3.12Å; K171-Y174 PolarHBondContact O-N 3.44Å; K171-N175 PolarHBondContact O-N 3.09Å; K171-N175 PolarHBondContact O-OD1 3.14Å; K171-I186 HydrophobicContact CG-CD1 4.29Å; K171-E190 WeakPolarHBondContact CE-OE1 3.47Å; K171-E190 IonicContact NZ-OE1 3.7Å; K171-E190 PolarHBondContact NZ-OE1 3.23Å
172	K	87.5	Confident	85.8	Confident	123 Å²	123	68.5 Å²	68.5	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-39.6	173.7	-168.2	167.3	-175.2	166.1	0	112.9	L150 R168 L169 L176	L150-K172 HydrophobicContact CD1-CB 4.44Å; L150-K172 HydrophobicContact CD1-CG 4.04Å; L150-K172 HydrophobicContact CD2-CD 4.43Å; R168-K172 PolarHBondContact O-N 3.46Å; L169-K172 PolarHBondContact O-N 3.43Å; K172-L176 PolarHBondContact O-N 3.31Å
173	A	86.4	Confident	85.8	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-38	175.9	0	0	0	0	0	112.6	Q147 L150 I151 L169 L170 K171 L176	Q147-A173 HydrophobicContact CG-CB 4.41Å; Q147-A173 PolarHBondContact NE2-O 3.09Å; L150-A173 HydrophobicContact CB-CB 3.89Å; L150-A173 HydrophobicContact CD1-CB 4.31Å; I151-A173 HydrophobicContact CG1-CB 4.03Å; L169-A173 WeakPolarHBondContact O-CB 3.28Å; L169-A173 PolarHBondContact O-N 3.19Å; L170-A173 PolarHBondContact O-N 3.39Å; K171-A173 PolarHBondContact O-N 3.12Å; A173-L176 PolarHBondContact O-N 2.92Å
174	Y	88.3	Confident	85.7	Confident	57 Å²	57	74.9 Å²	74.9	22%	0.224	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-40.6	177.4	-176.5	-100.7	0	0	0	112.1	L170 K171 L176 K177 Q178 V182 K183 I186	L170-Y174 WeakPolarHBondContact O-CB 3.36Å; L170-Y174 PolarHBondContact O-N 3.23Å; K171-Y174 PolarHBondContact O-N 3.44Å; Y174-L176 PolarHBondContact O-N 2.92Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.43Å; Y174-Q178 HydrophobicContact CE1-CG 4.25Å; Y174-Q178 HydrophobicContact CE2-CB 4.22Å; Y174-Q178 PolarHBondContact O-N 2.96Å; Y174-V182 HydrophobicContact CD2-CB 4.37Å; Y174-V182 HydrophobicContact CD2-CG1 4.48Å; Y174-K183 HydrophobicContact CD2-CB 4.41Å; Y174-K183 HydrophobicContact CE2-CB 3.92Å; Y174-K183 HydrophobicContact CE2-CG 4.29Å; Y174-I186 HydrophobicContact CG-CD1 4.31Å
175	N	83.6	Confident	85.8	Confident	133 Å²	133	74.6 Å²	74.6	71%	0.711	34%	0.338	S	S	*	.	H	α-helix	trans	-65.3	-24.1	178.9	-69.8	0.2	0	0	0	113.6	K171	K171-N175 PolarHBondContact O-N 3.09Å; K171-N175 PolarHBondContact O-OD1 3.14Å
176	L	79.9	Confident	86	Confident	59 Å²	59	73 Å²	73	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-78	-34.9	174.1	-67.8	173	0	0	0	113.2	Y143 I146 L150 K172 A173 Y174	Y143-L176 HydrophobicContact CD1-CD2 4.17Å; Y143-L176 HydrophobicContact CE1-CD2 4.46Å; I146-L176 HydrophobicContact CB-CD1 4.17Å; I146-L176 HydrophobicContact CG2-CD1 3.52Å; L150-L176 HydrophobicContact CD1-CD1 3.57Å; K172-L176 PolarHBondContact O-N 3.31Å; A173-L176 PolarHBondContact O-N 2.92Å; Y174-L176 PolarHBondContact O-N 2.92Å
177	K	80.2	Confident	86	Confident	89 Å²	89	76.4 Å²	76.4	39%	0.387	35%	0.347	S	S	.	.	S	Bend	trans	-159.6	109.7	178.7	179.7	173.8	-171.4	170.4	0	110.1	D144 Q147 Y174 C179	D144-K177 WeakPolarHBondContact OD1-CD 3.41Å; D144-K177 WeakPolarHBondContact OD1-CE 3.29Å; D144-K177 IonicContact OD1-NZ 3.1Å; D144-K177 PolarHBondContact OD1-NZ 2.83Å; D144-K177 IonicContact OD2-NZ 3.85Å; D144-K177 PolarHBondContact OD2-NZ 3.37Å; Q147-K177 PolarHBondContact NE2-O 2.94Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.43Å; K177-C179 PolarHBondContact O-N 3.07Å
178	Q	80.7	Confident	85.8	Confident	160 Å²	160	85.3 Å²	85.3	75%	0.748	38%	0.38	S	S	*	.			trans	-60.4	126	-178.4	-63.3	179.8	4.7	0	0	110.4	Y174	Y174-Q178 HydrophobicContact CE1-CG 4.25Å; Y174-Q178 HydrophobicContact CE2-CB 4.22Å; Y174-Q178 PolarHBondContact O-N 2.96Å
179	C	80.6	Confident	85.8	Confident	39 Å²	39	79.2 Å²	79.2	26%	0.264	36%	0.357	S	S	.	.			trans	-151.1	119.4	-171.9	177.6	0	0	0	0	110.9	K177 K181 V182 K183	K177-C179 PolarHBondContact O-N 3.07Å; C179-K181 PolarHBondContact O-N 3.44Å; C179-K181 VanDerWaalsContact O-N 3.09Å; C179-V182 HydrophobicContact CB-CB 4.41Å; C179-V182 HydrophobicContact CB-CG2 3.98Å; C179-V182 WeakPolarHBondContact O-CA 3.39Å; C179-V182 WeakPolarHBondContact O-CB 3.49Å; C179-V182 PolarHBondContact O-N 3.14Å; C179-K183 PolarHBondContact O-N 2.92Å
180	D	80.2	Confident	85.7	Confident	109 Å²	109	81.2 Å²	81.2	58%	0.583	37%	0.366	S	S	*	.	H	α-helix	trans	-54.4	-33.3	-177.7	-62.3	-29.8	0	0	0	113.5	V182 K183 R184	D180-V182 VanDerWaalsContact C-N 3.29Å; D180-V182 PolarHBondContact O-N 2.86Å; D180-K183 PolarHBondContact O-N 3.49Å; D180-R184 WeakPolarHBondContact O-CB 3.28Å; D180-R184 VanDerWaalsContact O-CG 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.34Å; D180-R184 PolarHBondContact O-N 2.99Å
181	K	83.9	Confident	85.4	Confident	172 Å²	172	85.6 Å²	85.6	75%	0.748	39%	0.39	S	S	*	.	H	α-helix	trans	-70.6	-25.3	178.6	-65.4	-177.9	-178.5	175.7	0	113	C179 K185	C179-K181 PolarHBondContact O-N 3.44Å; C179-K181 VanDerWaalsContact O-N 3.09Å; K181-K185 WeakPolarHBondContact O-CG 3.25Å
182	V	86.3	Confident	85.2	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.024	39%	0.39	C	S	.	.	H	α-helix	trans	-82.9	-44.2	173	-176	0	0	0	0	109	I151 L170 Y174 C179 D180 R184 K185 I186	I151-V182 HydrophobicContact CD1-CG2 3.74Å; I151-V182 HydrophobicContact CG1-CG2 4.42Å; L170-V182 HydrophobicContact CB-CG1 4.44Å; L170-V182 HydrophobicContact CD2-CG1 4.22Å; Y174-V182 HydrophobicContact CD2-CB 4.37Å; Y174-V182 HydrophobicContact CD2-CG1 4.48Å; C179-V182 HydrophobicContact CB-CB 4.41Å; C179-V182 HydrophobicContact CB-CG2 3.98Å; C179-V182 WeakPolarHBondContact O-CA 3.39Å; C179-V182 WeakPolarHBondContact O-CB 3.49Å; C179-V182 PolarHBondContact O-N 3.14Å; D180-V182 VanDerWaalsContact C-N 3.29Å; D180-V182 PolarHBondContact O-N 2.86Å; V182-R184 PolarHBondContact O-N 3.3Å; V182-K185 WeakPolarHBondContact O-CA 3.39Å; V182-K185 WeakPolarHBondContact O-CB 3.44Å; V182-K185 PolarHBondContact O-N 2.89Å; V182-I186 HydrophobicContact CG1-CD1 4.07Å; V182-I186 PolarHBondContact O-N 2.91Å
183	K	87.7	Confident	85	Confident	93 Å²	93	80.4 Å²	80.4	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-49.6	176	-159.9	-167.8	177.4	-154.7	0	112.3	Y174 C179 D180 K185 I186 E187	Y174-K183 HydrophobicContact CD2-CB 4.41Å; Y174-K183 HydrophobicContact CE2-CB 3.92Å; Y174-K183 HydrophobicContact CE2-CG 4.29Å; C179-K183 PolarHBondContact O-N 2.92Å; D180-K183 PolarHBondContact O-N 3.49Å; K183-K185 PolarHBondContact O-N 2.83Å; K183-K185 VanDerWaalsContact O-N 3.1Å; K183-I186 WeakPolarHBondContact O-CB 3.41Å; K183-I186 PolarHBondContact O-N 2.91Å; K183-I186 VanDerWaalsContact O-N 3.08Å; K183-E187 WeakPolarHBondContact CD-OE1 3.47Å; K183-E187 WeakPolarHBondContact CE-OE1 3.43Å; K183-E187 HydrophobicContact CG-CG 4.5Å; K183-E187 WeakPolarHBondContact CG-OE1 3.29Å; K183-E187 IonicContact NZ-OE1 2.69Å; K183-E187 PolarHBondContact NZ-OE1 3.38Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 3.27Å
184	R	85.3	Confident	84.7	Confident	159 Å²	159	85.5 Å²	85.5	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-65.8	-10.3	176.1	-66.4	177.3	-158.4	-176.1	6.5	115	D180 V182 E187 R188	D180-R184 WeakPolarHBondContact O-CB 3.28Å; D180-R184 VanDerWaalsContact O-CG 3.27Å; D180-R184 WeakPolarHBondContact O-CG 3.34Å; D180-R184 PolarHBondContact O-N 2.99Å; V182-R184 PolarHBondContact O-N 3.3Å; R184-E187 WeakPolarHBondContact CA-OE2 3.4Å; R184-R188 VanDerWaalsContact O-CD 3.31Å; R184-R188 WeakPolarHBondContact O-CD 3.42Å; R184-R188 VanDerWaalsContact O-CG 3.24Å; R184-R188 WeakPolarHBondContact O-CG 3.4Å
185	K	87.9	Confident	84.3	Confident	84 Å²	84	90.2 Å²	90.2	37%	0.365	42%	0.417	S	S	.	.	H	α-helix	trans	-89.6	-42	169.2	-77	-177.1	169.5	-162.9	0	111.5	L170 K181 V182 K183 R188 I189	L170-K185 HydrophobicContact CD1-CB 4.08Å; L170-K185 HydrophobicContact CD2-CD 4.28Å; K181-K185 WeakPolarHBondContact O-CG 3.25Å; V182-K185 WeakPolarHBondContact O-CA 3.39Å; V182-K185 WeakPolarHBondContact O-CB 3.44Å; V182-K185 PolarHBondContact O-N 2.89Å; K183-K185 PolarHBondContact O-N 2.83Å; K183-K185 VanDerWaalsContact O-N 3.1Å; K185-R188 PolarHBondContact O-N 3.43Å; K185-I189 WeakPolarHBondContact O-CG1 3.5Å; K185-I189 PolarHBondContact O-N 2.66Å
186	I	89.8	Confident	84	Confident	14 Å²	14	88.1 Å²	88.1	7%	0.072	41%	0.406	C	S	.	.	H	α-helix	trans	-55.3	-56	172.4	-69.6	163.8	0	0	0	108.9	L167 L170 K171 Y174 V182 K183 R188 I189 E190	L167-I186 HydrophobicContact CD1-CB 4.38Å; L167-I186 HydrophobicContact CD1-CG1 4.41Å; L167-I186 HydrophobicContact CD1-CG2 3.96Å; L170-I186 HydrophobicContact CB-CD1 4.28Å; L170-I186 HydrophobicContact CB-CG1 3.74Å; K171-I186 HydrophobicContact CG-CD1 4.29Å; Y174-I186 HydrophobicContact CG-CD1 4.31Å; V182-I186 HydrophobicContact CG1-CD1 4.07Å; V182-I186 PolarHBondContact O-N 2.91Å; K183-I186 WeakPolarHBondContact O-CB 3.41Å; K183-I186 PolarHBondContact O-N 2.91Å; K183-I186 VanDerWaalsContact O-N 3.08Å; I186-R188 VanDerWaalsContact C-N 3.26Å; I186-R188 PolarHBondContact O-N 2.69Å; I186-R188 VanDerWaalsContact O-N 3.15Å; I186-I189 PolarHBondContact O-N 3.29Å; I186-E190 HydrophobicContact CG2-CG 4.33Å; I186-E190 VanDerWaalsContact CG2-OE2 3.27Å; I186-E190 WeakPolarHBondContact CG2-OE2 3.35Å; I186-E190 WeakPolarHBondContact O-CG 3.2Å; I186-E190 PolarHBondContact O-N 3.31Å
187	E	88.1	Confident	83.5	Confident	74 Å²	74	88.2 Å²	88.2	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-52.8	-38.6	177.9	-68.1	163.4	173.1	0	0	112.9	K183 R184 N191	K183-E187 WeakPolarHBondContact CD-OE1 3.47Å; K183-E187 WeakPolarHBondContact CE-OE1 3.43Å; K183-E187 HydrophobicContact CG-CG 4.5Å; K183-E187 WeakPolarHBondContact CG-OE1 3.29Å; K183-E187 IonicContact NZ-OE1 2.69Å; K183-E187 PolarHBondContact NZ-OE1 3.38Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 3.27Å; R184-E187 WeakPolarHBondContact CA-OE2 3.4Å; E187-N191 WeakPolarHBondContact O-CB 3.34Å; E187-N191 PolarHBondContact O-N 3.45Å; E187-N191 VanDerWaalsContact O-N 3.11Å; E187-N191 PolarHBondContact O-OD1 3.39Å
188	R	87.8	Confident	82.7	Confident	197 Å²	197	87.3 Å²	87.3	74%	0.743	42%	0.42	S	S	*	.	H	α-helix	trans	-72.8	-36.9	178.1	-77.9	176.1	178.5	-160.1	-3.9	113.7	R184 K185 I186 Y192	R184-R188 VanDerWaalsContact O-CD 3.31Å; R184-R188 WeakPolarHBondContact O-CD 3.42Å; R184-R188 VanDerWaalsContact O-CG 3.24Å; R184-R188 WeakPolarHBondContact O-CG 3.4Å; K185-R188 PolarHBondContact O-N 3.43Å; I186-R188 VanDerWaalsContact C-N 3.26Å; I186-R188 PolarHBondContact O-N 2.69Å; I186-R188 VanDerWaalsContact O-N 3.15Å; R188-Y192 WeakPolarHBondContact O-CB 3.49Å; R188-Y192 PolarHBondContact O-N 3.13Å; R188-Y192 VanDerWaalsContact O-N 3.14Å
189	I	87.8	Confident	81.6	Confident	10 Å²	10	85 Å²	85	5%	0.051	42%	0.418	C	S	.	.	H	α-helix	trans	-78.2	-37.5	-179.2	-68.8	164.6	0	0	0	109.8	Y158 L167 L170 K185 I186 Y192 L193	Y158-I189 HydrophobicContact CD2-CD1 4.16Å; Y158-I189 HydrophobicContact CD2-CG1 4.44Å; Y158-I189 HydrophobicContact CE2-CD1 4.44Å; Y158-I189 HydrophobicContact CE2-CG1 4.28Å; L167-I189 HydrophobicContact CB-CG2 4.14Å; L167-I189 HydrophobicContact CD1-CG2 4.39Å; L170-I189 HydrophobicContact CD1-CD1 3.52Å; K185-I189 WeakPolarHBondContact O-CG1 3.5Å; K185-I189 PolarHBondContact O-N 2.66Å; I186-I189 PolarHBondContact O-N 3.29Å; I189-Y192 PolarHBondContact O-N 2.91Å; I189-L193 HydrophobicContact CG2-CD1 3.97Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CB 3.26Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.37Å; I189-L193 PolarHBondContact O-N 3.1Å
190	E	86.7	Confident	80.5	Confident	48 Å²	48	85.8 Å²	85.8	22%	0.224	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-43.8	173.1	-69.6	175.8	151.1	0	0	111.3	L167 K171 I186 Y192 L193 N194	L167-E190 HydrophobicContact CD1-CG 3.73Å; L167-E190 HydrophobicContact CD2-CG 3.83Å; L167-E190 HydrophobicContact CG-CG 4.46Å; K171-E190 WeakPolarHBondContact CE-OE1 3.47Å; K171-E190 IonicContact NZ-OE1 3.7Å; K171-E190 PolarHBondContact NZ-OE1 3.23Å; I186-E190 HydrophobicContact CG2-CG 4.33Å; I186-E190 VanDerWaalsContact CG2-OE2 3.27Å; I186-E190 WeakPolarHBondContact CG2-OE2 3.35Å; I186-E190 WeakPolarHBondContact O-CG 3.2Å; I186-E190 PolarHBondContact O-N 3.31Å; E190-Y192 PolarHBondContact O-N 3.19Å; E190-L193 PolarHBondContact O-N 2.94Å; E190-N194 WeakPolarHBondContact O-CB 3.03Å; E190-N194 PolarHBondContact O-N 3.22Å; E190-N194 PolarHBondContact O-ND2 2.84Å
191	N	85.3	Confident	79	Confident	95 Å²	95	86.8 Å²	86.8	51%	0.508	43%	0.428	S	S	.	.	H	α-helix	trans	-58.7	-46.2	171.7	-73.9	4.1	0	0	0	112.3	E187 L193 N194 E195	E187-N191 WeakPolarHBondContact O-CB 3.34Å; E187-N191 PolarHBondContact O-N 3.45Å; E187-N191 VanDerWaalsContact O-N 3.11Å; E187-N191 PolarHBondContact O-OD1 3.39Å; N191-L193 PolarHBondContact O-N 2.66Å; N191-N194 PolarHBondContact O-N 3.1Å; N191-E195 WeakPolarHBondContact O-CB 3.33Å; N191-E195 WeakPolarHBondContact O-CG 3.09Å; N191-E195 PolarHBondContact O-N 3.22Å
192	Y	85.6	Confident	77.2	Confident	89 Å²	89	86.8 Å²	86.8	35%	0.349	43%	0.43	S	S	.	.	H	α-helix	trans	-63.3	-39.5	178.8	178.3	-91.5	0	0	0	112.9	Y163 R188 I189 E190 N196	Y163-Y192 HydrophobicContact CD1-CD1 4.35Å; Y163-Y192 HydrophobicContact CD1-CE1 4.3Å; Y163-Y192 HydrophobicContact CD2-CD1 4.35Å; Y163-Y192 AromaticContact CD2-CE1 3.72Å; Y163-Y192 HydrophobicContact CD2-CE1 3.72Å; Y163-Y192 HydrophobicContact CE1-CE1 4.18Å; Y163-Y192 HydrophobicContact CE2-CD1 4.49Å; Y163-Y192 AromaticContact CE2-CE1 3.57Å; Y163-Y192 HydrophobicContact CE2-CE1 3.57Å; Y163-Y192 HydrophobicContact CG-CD1 4.27Å; Y163-Y192 HydrophobicContact CG-CE1 4.09Å; Y163-Y192 AromaticContact CZ-CE1 3.81Å; R188-Y192 WeakPolarHBondContact O-CB 3.49Å; R188-Y192 PolarHBondContact O-N 3.13Å; R188-Y192 VanDerWaalsContact O-N 3.14Å; I189-Y192 PolarHBondContact O-N 2.91Å; E190-Y192 PolarHBondContact O-N 3.19Å; Y192-N196 WeakPolarHBondContact CE2-ND2 3.2Å; Y192-N196 PolarHBondContact O-N 3.03Å; Y192-N196 VanDerWaalsContact O-N 3.14Å; Y192-N196 PolarHBondContact O-ND2 2.86Å
193	L	83.7	Confident	75	Confident	3 Å²	3	97.9 Å²	97.9	2%	0.016	47%	0.473	C	S	.	.	H	α-helix	trans	-65.5	-42.6	175.8	-71.2	167.9	0	0	0	111.3	V164 L167 I189 E190 N191 N196 G197 I198 V200	V164-L193 HydrophobicContact CG2-CD2 4.41Å; L167-L193 HydrophobicContact CD2-CD1 3.85Å; I189-L193 HydrophobicContact CG2-CD1 3.97Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CB 3.26Å; I189-L193 VanDerWaalsContact O-CG 3.28Å; I189-L193 WeakPolarHBondContact O-CG 3.37Å; I189-L193 PolarHBondContact O-N 3.1Å; E190-L193 PolarHBondContact O-N 2.94Å; N191-L193 PolarHBondContact O-N 2.66Å; L193-N196 CarbonylContact O-C 3.6Å; L193-N196 PolarHBondContact O-N 2.8Å; L193-G197 PolarHBondContact O-N 3.32Å; L193-G197 VanDerWaalsContact O-N 3.13Å; L193-I198 HydrophobicContact CD2-CB 3.99Å; L193-I198 HydrophobicContact CD2-CD1 3.84Å; L193-I198 HydrophobicContact CD2-CG2 3.94Å; L193-I198 PolarHBondContact O-N 2.98Å; L193-V200 HydrophobicContact CB-CG2 4.01Å; L193-V200 HydrophobicContact CD1-CG2 4.22Å
194	N	78.8	Confident	72.6	Confident	107 Å²	107	101.5 Å²	101.5	57%	0.572	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-44.1	175.7	-69.1	-24.6	0	0	0	112.2	E190 N191 N196 G197	E190-N194 WeakPolarHBondContact O-CB 3.03Å; E190-N194 PolarHBondContact O-N 3.22Å; E190-N194 PolarHBondContact O-ND2 2.84Å; N191-N194 PolarHBondContact O-N 3.1Å; N194-N196 VanDerWaalsContact C-N 3.25Å; N194-N196 PolarHBondContact O-N 3.17Å; N194-G197 PolarHBondContact O-N 2.95Å; N194-G197 VanDerWaalsContact O-N 3.14Å
195	E	81.4	Confident	70.1	Confident	156 Å²	156	102.8 Å²	102.8	73%	0.729	51%	0.509	S	S	*	.	H	α-helix	trans	-62.4	-30.4	176.5	-76.7	171.4	-174.1	0	0	112.7	N191	N191-E195 WeakPolarHBondContact O-CB 3.33Å; N191-E195 WeakPolarHBondContact O-CG 3.09Å; N191-E195 PolarHBondContact O-N 3.22Å
196	N	77.3	Confident	67.5	Low	89 Å²	89	108 Å²	108	48%	0.476	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.5	176.9	-72.2	-88.6	0	0	0	113.7	Y192 L193 N194 I198	Y192-N196 WeakPolarHBondContact CE2-ND2 3.2Å; Y192-N196 PolarHBondContact O-N 3.03Å; Y192-N196 VanDerWaalsContact O-N 3.14Å; Y192-N196 PolarHBondContact O-ND2 2.86Å; L193-N196 CarbonylContact O-C 3.6Å; L193-N196 PolarHBondContact O-N 2.8Å; N194-N196 VanDerWaalsContact C-N 3.25Å; N194-N196 PolarHBondContact O-N 3.17Å; N196-I198 VanDerWaalsContact C-N 3.29Å; N196-I198 HydrophobicContact CB-CD1 4.12Å; N196-I198 HydrophobicContact CB-CG1 4.31Å; N196-I198 PolarHBondContact O-N 3.06Å
197	G	67.9	Low	64.6	Low	62 Å²	62	115 Å²	115	64%	0.639	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.6	24	176.9	0	0	0	0	0	115.1	L193 N194 P199	L193-G197 PolarHBondContact O-N 3.32Å; L193-G197 VanDerWaalsContact O-N 3.13Å; N194-G197 PolarHBondContact O-N 2.95Å; N194-G197 VanDerWaalsContact O-N 3.14Å; G197-P199 WeakPolarHBondContact O-CD 3.15Å
198	I	64.3	Low	61.8	Low	70 Å²	70	119.9 Å²	119.9	36%	0.359	59%	0.594	S	S	.	*			trans	-88.2	116.5	-180	-61.2	167.8	0	0	0	108.5	L193 N196 V200	L193-I198 HydrophobicContact CD2-CB 3.99Å; L193-I198 HydrophobicContact CD2-CD1 3.84Å; L193-I198 HydrophobicContact CD2-CG2 3.94Å; L193-I198 PolarHBondContact O-N 2.98Å; N196-I198 VanDerWaalsContact C-N 3.29Å; N196-I198 HydrophobicContact CB-CD1 4.12Å; N196-I198 HydrophobicContact CB-CG1 4.31Å; N196-I198 PolarHBondContact O-N 3.06Å; I198-V200 PolarHBondContact O-N 3.16Å
199	P	58.2	Low	59.1	Low	110 Å²	110	116.6 Å²	116.6	71%	0.714	60%	0.596	S	S	*	*			trans	-62	132.7	-179.5	-22.8	34.3	0	0	0	112.1	G197	G197-P199 WeakPolarHBondContact O-CD 3.15Å
200	V	57.3	Low	56.3	Low	57 Å²	57	123.1 Å²	123.1	35%	0.345	63%	0.631	S	S	.	*			trans	-98.6	-7.2	-179.5	-170.8	0	0	0	0	111.8	L167 L193 I198	L167-V200 HydrophobicContact CD2-CG1 3.9Å; L193-V200 HydrophobicContact CB-CG2 4.01Å; L193-V200 HydrophobicContact CD1-CG2 4.22Å; I198-V200 PolarHBondContact O-N 3.16Å
201	D	47.7	Very low	53.5	Low	130 Å²	130	127.6 Å²	127.6	70%	0.695	66%	0.656	S	S	*	*			trans	-85.1	156.3	-174.8	-57	-53.6	0	0	0	113.8
202	H	46.2	Very low	50.8	Low	171 Å²	171	129.8 Å²	129.8	79%	0.792	67%	0.668	S	S	*	*	S	Bend	trans	88.5	37.6	172.7	-57	80	0	0	0	119.6
203	Y	39.2	Very low	48.2	Very low	238 Å²	238	132.9 Å²	132.9	93%	0.933	70%	0.696	S	S	*	*			trans	-139.7	35.2	158.6	-81.4	-65.6	0	0	0	115.3
204	D	38.1	Very low	45.6	Very low	168 Å²	168	137.2 Å²	137.2	90%	0.898	73%	0.733	S	S	*	*			trans	-105.3	51.7	172	-80.8	-40.6	0	0	0	112
205	H	32.6	Very low	43.3	Very low	186 Å²	186	138.3 Å²	138.3	86%	0.861	74%	0.743	S	S	*	*			trans	-140.1	82	-179.4	-118.6	-75.7	0	0	0	111.8
206	E	33.1	Very low	40.9	Very low	194 Å²	194	137.7 Å²	137.7	91%	0.907	75%	0.745	S	S	*	*	S	Bend	trans	173.8	81.5	158.4	-104.2	171.2	-146.2	0	0	110.1
207	L	30	Very low	38.7	Very low	162 Å²	162	141.5 Å²	141.5	85%	0.848	76%	0.76	S	S	*	*	S	Bend	trans	-167.6	11.9	164	-115.3	164.9	0	0	0	117
208	H	29.8	Very low	37	Very low	175 Å²	175	145.8 Å²	145.8	81%	0.81	77%	0.768	S	S	*	*			trans	-138	149.8	174.4	-69.4	-43.9	0	0	0	110.3
209	T	29.8	Very low	35.6	Very low	129 Å²	129	150.4 Å²	150.4	79%	0.791	79%	0.793	S	S	*	*			trans	67.7	139.3	-174.4	79.7	0	0	0	0	113.7
210	N	29.7	Very low	34.3	Very low	147 Å²	147	154.4 Å²	154.4	79%	0.786	80%	0.802	S	S	*	*			cis	-134.2	162.2	-0.6	-82	-57.1	0	0	0	111.3
211	N	27.1	Very low	33.2	Very low	141 Å²	141	161.6 Å²	161.6	75%	0.754	83%	0.829	S	S	*	*			trans	-80.4	171.6	157.6	-70.4	-16.5	0	0	0	110.2
212	D	29.6	Very low	32.3	Very low	141 Å²	141	162.8 Å²	162.8	75%	0.754	83%	0.83	S	S	*	*			trans	59.5	84.7	154.2	-50.9	-38.5	0	0	0	117.9
213	T	31.3	Very low	31.5	Very low	154 Å²	154	159.9 Å²	159.9	95%	0.945	83%	0.827	S	S	*	*				-175.9	161.7	115.7	22.8	0	0	0	0	110.8
214	A	29	Very low	31.1	Very low	95 Å²	95	154.2 Å²	154.2	79%	0.785	82%	0.819	S	S	*	*			trans	-107.6	151.5	178.5	0	0	0	0	0	111.2
215	V	30.7	Very low	30.7	Very low	129 Å²	129	152.4 Å²	152.4	78%	0.782	80%	0.803	S	S	*	*			trans	-173.8	130.5	134	141.1	0	0	0	0	109.6
216	D	30.7	Very low	31.2	Very low	144 Å²	144	151.2 Å²	151.2	77%	0.77	80%	0.802	S	S	*	*			trans	39.6	143.1	155.6	-53.4	-24.7	0	0	0	124.7
217	H	31	Very low	31.9	Very low	169 Å²	169	146.6 Å²	146.6	78%	0.782	79%	0.788	S	S	*	*			trans	-26.6	139.6	167.2	-73.3	-94.3	0	0	0	118.9
218	D	32.7	Very low	32.8	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	77%	0.772	S	S	*	*				-160.7	167.7	98.9	-98.9	-19.8	0	0	0	112.9	E220	D218-E220 PolarHBondContact O-N 3.33Å
219	D	33.1	Very low	35	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	76%	0.76	S	S	*	*			trans	-48.8	103	-165.7	-74.3	-41	0	0	0	117.7
220	E	31.5	Very low	37.3	Very low	194 Å²	194	137.7 Å²	137.7	91%	0.907	74%	0.741	S	S	*	*			trans	-112.9	135.6	159.5	-105	-161	156.6	0	0	114	D218	D218-E220 PolarHBondContact O-N 3.33Å
221	K	34	Very low	39.7	Very low	208 Å²	208	132.3 Å²	132.3	90%	0.904	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-82.1	128.1	-171.6	-69.3	166.9	-177.2	163.4	0	111.1
222	Q	29.7	Very low	42.4	Very low	155 Å²	155	131.4 Å²	131.4	72%	0.724	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-55	141.8	175	-67.8	-174.6	-2.5	0	0	111.8
223	P	29.9	Very low	44.8	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.8	147	171.8	27.3	-34.7	0	0	0	110.6	K225	P223-K225 PolarHBondContact O-N 3.37Å
224	P	29.2	Very low	47.1	Very low	118 Å²	118	118.8 Å²	118.8	77%	0.766	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62.8	131.5	-175	25.6	-34.4	0	0	0	111.3	L226	P224-L226 PolarHBondContact O-N 2.88Å
225	K	31	Very low	49.4	Very low	131 Å²	131	120.8 Å²	120.8	57%	0.57	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-72.7	125	177.5	-63.7	171.8	-177.1	168.7	0	108.9	P223 T227 D228	P223-K225 PolarHBondContact O-N 3.37Å; K225-T227 WeakPolarHBondContact CB-OG1 3.18Å; K225-T227 PolarHBondContact O-N 3.2Å; K225-D228 PolarHBondContact O-N 3.36Å
226	L	43.6	Very low	51.7	Low	160 Å²	160	116.9 Å²	116.9	84%	0.838	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	3.6	177.6	-83.6	79.1	0	0	0	114.3	P224	P224-L226 PolarHBondContact O-N 2.88Å
227	T	46.4	Very low	54.4	Low	98 Å²	98	110 Å²	110	60%	0.601	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-23.3	177.8	48.6	0	0	0	0	113.9	K225 D229	K225-T227 WeakPolarHBondContact CB-OG1 3.18Å; K225-T227 PolarHBondContact O-N 3.2Å; T227-D229 PolarHBondContact O-N 3.1Å
228	D	50.3	Low	57	Low	99 Å²	99	103.2 Å²	103.2	53%	0.529	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-5.5	-168	-66.8	4	0	0	0	114	K225 K241	K225-D228 PolarHBondContact O-N 3.36Å; D228-K241 WeakPolarHBondContact O-CD 3.08Å; D228-K241 PolarHBondContact O-NZ 2.74Å
229	D	74.1	Confident	59.6	Low	102 Å²	102	96 Å²	96	55%	0.545	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.5	-178.2	-77.9	-30.9	0	0	0	114.4	T227 K241	T227-D229 PolarHBondContact O-N 3.1Å; D229-K241 VanDerWaalsContact O-CB 3.27Å; D229-K241 WeakPolarHBondContact O-CB 3.2Å; D229-K241 PolarHBondContact O-N 3.07Å
230	L	78.3	Confident	62.2	Low	77 Å²	77	89.7 Å²	89.7	40%	0.403	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.2	177.4	-62.7	-177.6	0	0	0	111.4	P240 V291	L230-P240 HydrophobicContact CD2-CG 4.24Å; L230-V291 HydrophobicContact CD1-CG1 3.96Å; L230-V291 HydrophobicContact CD2-CG1 4.15Å
231	V	81.9	Confident	64.8	Low	35 Å²	35	84.4 Å²	84.4	21%	0.212	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.7	174.3	-179.6	0	0	0	0	109.2	S238 V239 K241 Y244	V231-S238 CarbonylContact O-C 3.51Å; V231-S238 VanDerWaalsContact O-CA 3.3Å; V231-S238 WeakPolarHBondContact O-CA 3.38Å; V231-V239 PolarHBondContact N-O 3.1Å; V231-V239 PolarHBondContact O-N 3.27Å; V231-K241 HydrophobicContact CG2-CB 3.89Å; V231-K241 HydrophobicContact CG2-CD 4.38Å; V231-K241 HydrophobicContact CG2-CG 3.88Å; V231-Y244 HydrophobicContact CB-CD1 4.14Å; V231-Y244 HydrophobicContact CB-CG 4.36Å; V231-Y244 HydrophobicContact CG1-CD1 3.85Å; V231-Y244 HydrophobicContact CG1-CE1 3.78Å; V231-Y244 HydrophobicContact CG1-CG 4.35Å; V231-Y244 HydrophobicContact CG2-CD1 4.16Å
232	E	82.7	Confident	67.2	Low	121 Å²	121	80.4 Å²	80.4	57%	0.565	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.4	171.3	-170.5	164.9	-155.6	0	0	110	A234 G236 F237	E232-A234 WeakPolarHBondContact CG-O 3.11Å; E232-G236 PolarHBondContact OE1-N 3.24Å; E232-F237 WeakPolarHBondContact CA-O 3.46Å
233	I	80.1	Confident	69.9	Low	17 Å²	17	73.3 Å²	73.3	9%	0.087	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-30.3	-175.9	-58.6	178.5	0	0	0	111	F237 V239 Y244 V255 K256	I233-F237 HydrophobicContact CB-CD1 4.24Å; I233-F237 HydrophobicContact CD1-CE1 4.23Å; I233-F237 PolarHBondContact N-O 3.22Å; I233-V239 HydrophobicContact CD1-CB 3.86Å; I233-V239 HydrophobicContact CD1-CG2 3.47Å; I233-V239 VanDerWaalsContact CD1-CG2 3.47Å; I233-V239 HydrophobicContact CG1-CG2 4.45Å; I233-Y244 HydrophobicContact CD1-CD2 3.49Å; I233-Y244 VanDerWaalsContact CD1-CD2 3.49Å; I233-Y244 HydrophobicContact CD1-CE2 3.51Å; I233-Y244 HydrophobicContact CG1-CD2 3.97Å; I233-Y244 HydrophobicContact CG1-CE2 3.64Å; I233-V255 HydrophobicContact CD1-CG1 4.08Å; I233-K256 HydrophobicContact CG2-CB 3.96Å; I233-K256 HydrophobicContact CG2-CD 4.24Å; I233-K256 HydrophobicContact CG2-CG 4.31Å; I233-K256 PolarHBondContact O-NZ 2.88Å
234	A	78.8	Confident	72.6	Confident	13 Å²	13	70.6 Å²	70.6	11%	0.107	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.2	176.8	0	0	0	0	0	108	E232 G236 F237 K256	E232-A234 WeakPolarHBondContact CG-O 3.11Å; A234-G236 PolarHBondContact O-N 3.01Å; A234-G236 VanDerWaalsContact O-N 3.14Å; A234-F237 WeakPolarHBondContact O-CA 3.2Å; A234-F237 WeakPolarHBondContact O-CB 3.3Å; A234-F237 PolarHBondContact O-N 3.09Å; A234-K256 HydrophobicContact CB-CG 4.41Å
235	D	78.2	Confident	75.4	Confident	138 Å²	138	69.9 Å²	69.9	74%	0.738	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	115.4	-171.4	-45.7	-0.2	0	0	0	112.4
236	G	78.1	Confident	78.1	Confident	47 Å²	47	69.5 Å²	69.5	49%	0.485	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	4.3	-179.5	0	0	0	0	0	115.7	E232 A234 S292	E232-G236 PolarHBondContact OE1-N 3.24Å; A234-G236 PolarHBondContact O-N 3.01Å; A234-G236 VanDerWaalsContact O-N 3.14Å; G236-S292 VanDerWaalsContact O-CB 3.28Å; G236-S292 WeakPolarHBondContact O-CB 3.43Å; G236-S292 PolarHBondContact O-OG 3.03Å
237	F	87.1	Confident	80.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107.5	-177.4	-174.1	-101.3	0	0	0	113.2	E232 I233 A234 V239 V255 W259 F285 G288 L289 S292	E232-F237 WeakPolarHBondContact CA-O 3.46Å; I233-F237 HydrophobicContact CB-CD1 4.24Å; I233-F237 HydrophobicContact CD1-CE1 4.23Å; I233-F237 PolarHBondContact N-O 3.22Å; A234-F237 WeakPolarHBondContact O-CA 3.2Å; A234-F237 WeakPolarHBondContact O-CB 3.3Å; A234-F237 PolarHBondContact O-N 3.09Å; F237-V239 HydrophobicContact CD1-CG2 4.3Å; F237-V239 HydrophobicContact CE1-CG2 3.5Å; F237-V239 VanDerWaalsContact CE1-CG2 3.5Å; F237-V239 HydrophobicContact CZ-CG2 3.86Å; F237-V255 HydrophobicContact CE1-CG1 3.65Å; F237-V255 HydrophobicContact CZ-CG1 4.11Å; F237-W259 HydrophobicContact CB-CD2 3.57Å; F237-W259 VanDerWaalsContact CB-CE2 3.47Å; F237-W259 HydrophobicContact CB-CE3 3.99Å; F237-W259 HydrophobicContact CB-CG 3.97Å; F237-W259 HydrophobicContact CB-CH2 4.19Å; F237-W259 HydrophobicContact CB-CZ2 3.81Å; F237-W259 HydrophobicContact CB-CZ3 4.26Å; F237-W259 HydrophobicContact CD1-CB 4.41Å; F237-W259 HydrophobicContact CD1-CD2 4.45Å; F237-W259 HydrophobicContact CD1-CG 4.33Å; F237-W259 AromaticContact CD2-CD2 3.63Å; F237-W259 HydrophobicContact CD2-CD2 3.63Å; F237-W259 AromaticContact CD2-CE3 3.16Å; F237-W259 HydrophobicContact CD2-CE3 3.16Å; F237-W259 HydrophobicContact CD2-CG 4.29Å; F237-W259 HydrophobicContact CD2-CH2 4.12Å; F237-W259 AromaticContact CD2-CZ3 3.43Å; F237-W259 HydrophobicContact CD2-CZ3 3.43Å; F237-W259 VanDerWaalsContact CD2-CZ3 3.43Å; F237-W259 HydrophobicContact CE2-CD2 4.41Å; F237-W259 AromaticContact CE2-CE3 3.74Å; F237-W259 HydrophobicContact CE2-CE3 3.74Å; F237-W259 HydrophobicContact CE2-CZ3 4.15Å; F237-W259 HydrophobicContact CG-CB 4.42Å; F237-W259 AromaticContact CG-CD2 3.63Å; F237-W259 HydrophobicContact CG-CD2 3.63Å; F237-W259 AromaticContact CG-CE3 3.71Å; F237-W259 HydrophobicContact CG-CE3 3.71Å; F237-W259 AromaticContact CG-CG 3.94Å; F237-W259 HydrophobicContact CG-CG 3.94Å; F237-W259 HydrophobicContact CG-CZ3 4.2Å; F237-F285 HydrophobicContact CE2-CD2 4.25Å; F237-F285 HydrophobicContact CE2-CE2 4.27Å; F237-F285 AromaticContact CZ-CD2 3.96Å; F237-F285 HydrophobicContact CZ-CD2 3.96Å; F237-F285 HydrophobicContact CZ-CE2 4.41Å; F237-G288 VanDerWaalsContact CE2-C 3.46Å; F237-L289 HydrophobicContact CE2-CB 4.47Å; F237-S292 WeakPolarHBondContact CA-OG 3.38Å
238	S	86.3	Confident	82.2	Confident	25 Å²	25	60.2 Å²	60.2	18%	0.175	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.5	-175.7	-51.4	0	0	0	0	111.8	V231 G288 S292	V231-S238 CarbonylContact O-C 3.51Å; V231-S238 VanDerWaalsContact O-CA 3.3Å; V231-S238 WeakPolarHBondContact O-CA 3.38Å; S238-G288 VanDerWaalsContact O-CA 3.3Å; S238-G288 WeakPolarHBondContact O-CA 3.33Å; S238-S292 PolarHBondContact N-OG 3.06Å
239	V	88	Confident	83.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144	178.4	175.8	0	0	0	0	109.5	V231 I233 F237 K241 L243 V255	V231-V239 PolarHBondContact N-O 3.1Å; V231-V239 PolarHBondContact O-N 3.27Å; I233-V239 HydrophobicContact CD1-CB 3.86Å; I233-V239 HydrophobicContact CD1-CG2 3.47Å; I233-V239 VanDerWaalsContact CD1-CG2 3.47Å; I233-V239 HydrophobicContact CG1-CG2 4.45Å; F237-V239 HydrophobicContact CD1-CG2 4.3Å; F237-V239 HydrophobicContact CE1-CG2 3.5Å; F237-V239 VanDerWaalsContact CE1-CG2 3.5Å; F237-V239 HydrophobicContact CZ-CG2 3.86Å; V239-K241 PolarHBondContact O-N 2.98Å; V239-L243 HydrophobicContact CG1-CB 4.42Å; V239-L243 HydrophobicContact CG1-CD2 4.32Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-V255 HydrophobicContact CG2-CG1 4.49Å
240	P	87.2	Confident	84.6	Confident	35 Å²	35	56.2 Å²	56.2	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	128.2	172.5	-28.1	36.6	0	0	0	112.8	L230 L242 L243 Y244	L230-P240 HydrophobicContact CD2-CG 4.24Å; P240-L242 VanDerWaalsContact C-N 3.34Å; P240-L242 PolarHBondContact O-N 2.9Å; P240-L243 HydrophobicContact CB-CB 4.5Å; P240-L243 WeakPolarHBondContact O-CA 3.48Å; P240-L243 WeakPolarHBondContact O-CB 3.49Å; P240-L243 PolarHBondContact O-N 3.13Å; P240-Y244 PolarHBondContact O-N 3.38Å
241	K	85.4	Confident	85.2	Confident	84 Å²	84	52.9 Å²	52.9	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-54.8	-45.7	-176.3	-173.5	171	-179	-178.6	0	112.8	D228 D229 V231 V239 L243 Y244 D245	D228-K241 WeakPolarHBondContact O-CD 3.08Å; D228-K241 PolarHBondContact O-NZ 2.74Å; D229-K241 VanDerWaalsContact O-CB 3.27Å; D229-K241 WeakPolarHBondContact O-CB 3.2Å; D229-K241 PolarHBondContact O-N 3.07Å; V231-K241 HydrophobicContact CG2-CB 3.89Å; V231-K241 HydrophobicContact CG2-CD 4.38Å; V231-K241 HydrophobicContact CG2-CG 3.88Å; V239-K241 PolarHBondContact O-N 2.98Å; K241-L243 PolarHBondContact O-N 3.26Å; K241-Y244 PolarHBondContact O-N 3.03Å; K241-Y244 VanDerWaalsContact O-N 3.11Å; K241-D245 WeakPolarHBondContact CG-OD2 3.3Å; K241-D245 WeakPolarHBondContact O-CB 3.13Å; K241-D245 VanDerWaalsContact O-CG 3.24Å; K241-D245 PolarHBondContact O-N 3.02Å
242	L	84.4	Confident	85.7	Confident	124 Å²	124	53.2 Å²	53.2	65%	0.649	28%	0.275	S	S	*	.	H	α-helix	trans	-58.8	-15.3	174.8	-66.3	175.8	0	0	0	115.1	P240 K246	P240-L242 VanDerWaalsContact C-N 3.34Å; P240-L242 PolarHBondContact O-N 2.9Å; L242-K246 VanDerWaalsContact O-CD 3.28Å; L242-K246 WeakPolarHBondContact O-CD 3.36Å; L242-K246 WeakPolarHBondContact O-CE 3.28Å; L242-K246 PolarHBondContact O-NZ 2.74Å
243	L	87	Confident	86.1	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-99.3	-47.5	172.6	-179.8	55.7	0	0	0	110.5	V239 P240 K241 D245 K246 L247 A284 W318	V239-L243 HydrophobicContact CG1-CB 4.42Å; V239-L243 HydrophobicContact CG1-CD2 4.32Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; P240-L243 HydrophobicContact CB-CB 4.5Å; P240-L243 WeakPolarHBondContact O-CA 3.48Å; P240-L243 WeakPolarHBondContact O-CB 3.49Å; P240-L243 PolarHBondContact O-N 3.13Å; K241-L243 PolarHBondContact O-N 3.26Å; L243-D245 PolarHBondContact O-N 2.8Å; L243-K246 PolarHBondContact O-N 3.31Å; L243-K246 VanDerWaalsContact O-N 3.17Å; L243-L247 PolarHBondContact O-N 3.45Å; L243-A284 HydrophobicContact CD2-CB 4.03Å; L243-A284 HydrophobicContact CG-CB 4.18Å; L243-W318 HydrophobicContact CD1-CB 4.05Å; L243-W318 HydrophobicContact CD1-CD2 4.22Å; L243-W318 HydrophobicContact CD1-CE3 3.51Å; L243-W318 HydrophobicContact CD1-CG 4.47Å; L243-W318 HydrophobicContact CD1-CZ3 4.27Å
244	Y	87.7	Confident	86.7	Confident	53 Å²	53	53.3 Å²	53.3	21%	0.208	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-43.4	179.3	-176.1	-105.3	0	0	0	113.6	V231 I233 P240 K241 K246 L247 K252	V231-Y244 HydrophobicContact CB-CD1 4.14Å; V231-Y244 HydrophobicContact CB-CG 4.36Å; V231-Y244 HydrophobicContact CG1-CD1 3.85Å; V231-Y244 HydrophobicContact CG1-CE1 3.78Å; V231-Y244 HydrophobicContact CG1-CG 4.35Å; V231-Y244 HydrophobicContact CG2-CD1 4.16Å; I233-Y244 HydrophobicContact CD1-CD2 3.49Å; I233-Y244 VanDerWaalsContact CD1-CD2 3.49Å; I233-Y244 HydrophobicContact CD1-CE2 3.51Å; I233-Y244 HydrophobicContact CG1-CD2 3.97Å; I233-Y244 HydrophobicContact CG1-CE2 3.64Å; P240-Y244 PolarHBondContact O-N 3.38Å; K241-Y244 PolarHBondContact O-N 3.03Å; K241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-K246 PolarHBondContact O-N 2.95Å; Y244-L247 WeakPolarHBondContact O-CB 3.47Å; Y244-L247 PolarHBondContact O-N 2.7Å; Y244-L247 VanDerWaalsContact O-N 3.09Å; Y244-K252 HydrophobicContact CD2-CD 4.46Å; Y244-K252 HydrophobicContact CD2-CG 4.13Å; Y244-K252 HydrophobicContact CE1-CD 4.2Å; Y244-K252 HydrophobicContact CE2-CB 3.97Å; Y244-K252 HydrophobicContact CE2-CD 3.8Å; Y244-K252 HydrophobicContact CE2-CG 3.62Å; Y244-K252 WeakPolarHBondContact O-CE 3.31Å
245	D	87.2	Confident	87.3	Confident	102 Å²	102	52.7 Å²	52.7	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.1	-179.2	-64.8	-15.1	0	0	0	112.9	K241 L243	K241-D245 WeakPolarHBondContact CG-OD2 3.3Å; K241-D245 WeakPolarHBondContact O-CB 3.13Å; K241-D245 VanDerWaalsContact O-CG 3.24Å; K241-D245 PolarHBondContact O-N 3.02Å; L243-D245 PolarHBondContact O-N 2.8Å
246	K	87.4	Confident	88	Confident	123 Å²	123	51.1 Å²	51.1	54%	0.535	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.9	177	-63	176.1	-173.9	140.6	0	113.5	L242 L243 Y244 W318	L242-K246 VanDerWaalsContact O-CD 3.28Å; L242-K246 WeakPolarHBondContact O-CD 3.36Å; L242-K246 WeakPolarHBondContact O-CE 3.28Å; L242-K246 PolarHBondContact O-NZ 2.74Å; L243-K246 PolarHBondContact O-N 3.31Å; L243-K246 VanDerWaalsContact O-N 3.17Å; Y244-K246 PolarHBondContact O-N 2.95Å; K246-W318 HydrophobicContact CB-CH2 4.42Å; K246-W318 HydrophobicContact CB-CZ3 3.82Å; K246-W318 HydrophobicContact CD-CZ3 3.83Å; K246-W318 HydrophobicContact CG-CZ3 4.49Å
247	L	87.8	Confident	88.7	Confident	5 Å²	5	50 Å²	50	3%	0.026	23%	0.233	C	C	.	.	S	Bend	trans	-79.7	142	175	-63.3	179.6	0	0	0	110.4	L243 Y244 Q251 K252 V255 V280 A284	L243-L247 PolarHBondContact O-N 3.45Å; Y244-L247 WeakPolarHBondContact O-CB 3.47Å; Y244-L247 PolarHBondContact O-N 2.7Å; Y244-L247 VanDerWaalsContact O-N 3.09Å; L247-Q251 HydrophobicContact CB-CB 4.11Å; L247-Q251 HydrophobicContact CD2-CB 4.25Å; L247-K252 HydrophobicContact CB-CG 3.84Å; L247-K252 HydrophobicContact CD1-CG 4.39Å; L247-K252 WeakPolarHBondContact O-CE 3.43Å; L247-K252 PolarHBondContact O-NZ 2.93Å; L247-V255 HydrophobicContact CD1-CG2 4.21Å; L247-V280 HydrophobicContact CD2-CG1 4.41Å; L247-V280 HydrophobicContact CD2-CG2 3.98Å; L247-A284 HydrophobicContact CD1-CB 3.85Å; L247-A284 HydrophobicContact CD2-CB 4.3Å
248	Y	87.6	Confident	89	Confident	59 Å²	59	50 Å²	50	23%	0.231	23%	0.233	C	C	.	.			trans	-69.4	156.5	164.8	-66.1	-102.3	0	0	0	110.2	Y250 Q251 K252 M524	Y248-Y250 VanDerWaalsContact C-N 3.31Å; Y248-Y250 VanDerWaalsContact CB-CD1 3.45Å; Y248-Y250 AromaticContact CD1-CE1 3.99Å; Y248-Y250 HydrophobicContact CD1-CE1 3.99Å; Y248-Y250 HydrophobicContact CD2-CE1 4.23Å; Y248-Y250 HydrophobicContact CG-CD1 4.3Å; Y248-Y250 AromaticContact CG-CE1 3.57Å; Y248-Y250 HydrophobicContact CG-CE1 3.57Å; Y248-Y250 PolarHBondContact O-N 3.49Å; Y248-Q251 WeakPolarHBondContact O-CA 3.38Å; Y248-Q251 VanDerWaalsContact O-CB 3.28Å; Y248-Q251 WeakPolarHBondContact O-CB 3.25Å; Y248-Q251 PolarHBondContact O-N 3.27Å; Y248-K252 PolarHBondContact O-N 2.75Å; Y248-M524 HydrophobicContact CD1-CE 3.74Å; Y248-M524 HydrophobicContact CD1-SD 3.58Å; Y248-M524 VanDerWaalsContact CD1-SD 3.58Å; Y248-M524 HydrophobicContact CE1-CE 3.55Å; Y248-M524 HydrophobicContact CE1-SD 3.45Å; Y248-M524 WeakPolarHBondContact CE1-SD 3.38Å; Y248-M524 HydrophobicContact CE2-CE 4.42Å; Y248-M524 HydrophobicContact CG-CE 4.26Å
249	D	86.7	Confident	89.3	Confident	92 Å²	92	50 Å²	50	49%	0.492	23%	0.229	S	C	.	.	H	α-helix	trans	-66.2	-31.6	-172.1	-50.8	-60.7	0	0	0	113.8	Q251 K252 Y253	D249-Q251 VanDerWaalsContact C-N 3.31Å; D249-Q251 PolarHBondContact O-N 2.61Å; D249-K252 WeakPolarHBondContact O-CB 3.35Å; D249-K252 PolarHBondContact O-N 3.28Å; D249-K252 IonicContact OD1-NZ 3.88Å; D249-K252 PolarHBondContact OD1-NZ 3.15Å; D249-Y253 PolarHBondContact O-N 3.36Å
250	Y	89	Confident	89.5	Confident	24 Å²	24	51.4 Å²	51.4	9%	0.094	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-36.5	168.5	74.6	-86.8	0	0	0	111.7	Y248 Y253 G254 L276 R506 V511	Y248-Y250 VanDerWaalsContact C-N 3.31Å; Y248-Y250 VanDerWaalsContact CB-CD1 3.45Å; Y248-Y250 AromaticContact CD1-CE1 3.99Å; Y248-Y250 HydrophobicContact CD1-CE1 3.99Å; Y248-Y250 HydrophobicContact CD2-CE1 4.23Å; Y248-Y250 HydrophobicContact CG-CD1 4.3Å; Y248-Y250 AromaticContact CG-CE1 3.57Å; Y248-Y250 HydrophobicContact CG-CE1 3.57Å; Y248-Y250 PolarHBondContact O-N 3.49Å; Y250-Y253 WeakPolarHBondContact O-CB 3.41Å; Y250-Y253 PolarHBondContact O-N 2.92Å; Y250-G254 PolarHBondContact O-N 3.3Å; Y250-L276 HydrophobicContact CE2-CB 3.85Å; Y250-L276 HydrophobicContact CE2-CD2 4.19Å; Y250-L276 HydrophobicContact CE2-CG 4.46Å; Y250-L276 WeakPolarHBondContact CE2-O 3.32Å; Y250-L276 PolarHBondContact OH-O 2.86Å; Y250-R506 PolarHBondContact O-NH1 3.37Å; Y250-V511 HydrophobicContact CD1-CB 4.45Å; Y250-V511 HydrophobicContact CD1-CG1 3.17Å; Y250-V511 HydrophobicContact CD1-CG2 4.5Å; Y250-V511 HydrophobicContact CD2-CG1 4.15Å; Y250-V511 HydrophobicContact CD2-CG2 4.27Å; Y250-V511 HydrophobicContact CE1-CG1 3.31Å; Y250-V511 HydrophobicContact CE2-CG1 4.29Å; Y250-V511 HydrophobicContact CG-CG1 3.61Å; Y250-V511 HydrophobicContact CG-CG2 4.11Å
251	Q	91.3	Very high	89.7	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-38.3	176.6	-62.4	177.7	-20.4	0	0	111.1	L247 Y248 D249 G254 V255 L276 Q281	L247-Q251 HydrophobicContact CB-CB 4.11Å; L247-Q251 HydrophobicContact CD2-CB 4.25Å; Y248-Q251 WeakPolarHBondContact O-CA 3.38Å; Y248-Q251 VanDerWaalsContact O-CB 3.28Å; Y248-Q251 WeakPolarHBondContact O-CB 3.25Å; Y248-Q251 PolarHBondContact O-N 3.27Å; D249-Q251 VanDerWaalsContact C-N 3.31Å; D249-Q251 PolarHBondContact O-N 2.61Å; Q251-G254 PolarHBondContact O-N 3.2Å; Q251-G254 VanDerWaalsContact O-N 3.16Å; Q251-V255 WeakPolarHBondContact O-CG2 3.26Å; Q251-V255 PolarHBondContact O-N 2.99Å; Q251-L276 PolarHBondContact NE2-O 3.25Å; Q251-L276 VanDerWaalsContact NE2-O 3.09Å; Q251-Q281 HydrophobicContact CB-CG 3.67Å; Q251-Q281 HydrophobicContact CG-CG 3.78Å
252	K	91.1	Very high	89.9	Confident	41 Å²	41	47.8 Å²	47.8	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-46	171.3	-59.5	171.7	-170.8	154.7	0	111.3	Y244 L247 Y248 D249 G254 V255 K256	Y244-K252 HydrophobicContact CD2-CD 4.46Å; Y244-K252 HydrophobicContact CD2-CG 4.13Å; Y244-K252 HydrophobicContact CE1-CD 4.2Å; Y244-K252 HydrophobicContact CE2-CB 3.97Å; Y244-K252 HydrophobicContact CE2-CD 3.8Å; Y244-K252 HydrophobicContact CE2-CG 3.62Å; Y244-K252 WeakPolarHBondContact O-CE 3.31Å; L247-K252 HydrophobicContact CB-CG 3.84Å; L247-K252 HydrophobicContact CD1-CG 4.39Å; L247-K252 WeakPolarHBondContact O-CE 3.43Å; L247-K252 PolarHBondContact O-NZ 2.93Å; Y248-K252 PolarHBondContact O-N 2.75Å; D249-K252 WeakPolarHBondContact O-CB 3.35Å; D249-K252 PolarHBondContact O-N 3.28Å; D249-K252 IonicContact OD1-NZ 3.88Å; D249-K252 PolarHBondContact OD1-NZ 3.15Å; K252-G254 PolarHBondContact O-N 2.94Å; K252-V255 PolarHBondContact O-N 3.4Å; K252-K256 PolarHBondContact O-N 3.37Å
253	Y	91.4	Very high	90	Very high	141 Å²	141	47 Å²	47	55%	0.553	21%	0.213	S	C	*	.	H	α-helix	trans	-60.2	-42.3	172.8	177.8	-84.9	0	0	0	112.4	D249 Y250 V255 K256 W257 L504	D249-Y253 PolarHBondContact O-N 3.36Å; Y250-Y253 WeakPolarHBondContact O-CB 3.41Å; Y250-Y253 PolarHBondContact O-N 2.92Å; Y253-V255 PolarHBondContact O-N 2.7Å; Y253-K256 WeakPolarHBondContact O-CB 3.49Å; Y253-K256 PolarHBondContact O-N 2.85Å; Y253-W257 HydrophobicContact CE1-CB 4.47Å; Y253-W257 PolarHBondContact O-N 3.47Å; Y253-L504 HydrophobicContact CD1-CD2 4.42Å; Y253-L504 HydrophobicContact CE1-CD1 4.09Å; Y253-L504 HydrophobicContact CE1-CD2 4.32Å
254	G	92.3	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-38.3	179	0	0	0	0	0	113.1	Y250 Q251 K252 W257 L258	Y250-G254 PolarHBondContact O-N 3.3Å; Q251-G254 PolarHBondContact O-N 3.2Å; Q251-G254 VanDerWaalsContact O-N 3.16Å; K252-G254 PolarHBondContact O-N 2.94Å; G254-W257 PolarHBondContact O-N 2.89Å; G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.3Å
255	V	93	Very high	89.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-43.2	170.8	171	0	0	0	0	111.1	I233 F237 V239 L247 Q251 K252 Y253 W257 L258 W259 Q281 A284 F285	I233-V255 HydrophobicContact CD1-CG1 4.08Å; F237-V255 HydrophobicContact CE1-CG1 3.65Å; F237-V255 HydrophobicContact CZ-CG1 4.11Å; V239-V255 HydrophobicContact CG2-CG1 4.49Å; L247-V255 HydrophobicContact CD1-CG2 4.21Å; Q251-V255 WeakPolarHBondContact O-CG2 3.26Å; Q251-V255 PolarHBondContact O-N 2.99Å; K252-V255 PolarHBondContact O-N 3.4Å; Y253-V255 PolarHBondContact O-N 2.7Å; V255-W257 VanDerWaalsContact C-N 3.33Å; V255-W257 PolarHBondContact O-N 3.04Å; V255-L258 PolarHBondContact O-N 3.46Å; V255-W259 PolarHBondContact O-N 3.03Å; V255-Q281 HydrophobicContact CG2-CB 4.46Å; V255-Q281 WeakPolarHBondContact CG2-O 3.34Å; V255-A284 HydrophobicContact CG2-CB 3.87Å; V255-F285 HydrophobicContact CG1-CB 4.49Å
256	K	92.3	Very high	89.5	Confident	105 Å²	105	51 Å²	51	46%	0.457	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-34.7	175.7	-172	164.6	-175.7	147.3	0	112.9	I233 A234 K252 Y253 W259 S260	I233-K256 HydrophobicContact CG2-CB 3.96Å; I233-K256 HydrophobicContact CG2-CD 4.24Å; I233-K256 HydrophobicContact CG2-CG 4.31Å; I233-K256 PolarHBondContact O-NZ 2.88Å; A234-K256 HydrophobicContact CB-CG 4.41Å; K252-K256 PolarHBondContact O-N 3.37Å; Y253-K256 WeakPolarHBondContact O-CB 3.49Å; Y253-K256 PolarHBondContact O-N 2.85Å; K256-W259 PolarHBondContact O-N 3.41Å; K256-S260 PolarHBondContact O-N 3.48Å; K256-S260 VanDerWaalsContact O-N 3.08Å
257	W	93	Very high	89.5	Confident	22 Å²	22	45.3 Å²	45.3	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-70.2	-41.1	173.6	176.3	84.2	0	0	0	112.4	Y253 G254 V255 W259 S260 L261 I269 L270 L504	Y253-W257 HydrophobicContact CE1-CB 4.47Å; Y253-W257 PolarHBondContact O-N 3.47Å; G254-W257 PolarHBondContact O-N 2.89Å; V255-W257 VanDerWaalsContact C-N 3.33Å; V255-W257 PolarHBondContact O-N 3.04Å; W257-W259 PolarHBondContact O-N 3Å; W257-S260 PolarHBondContact O-N 3.39Å; W257-S260 VanDerWaalsContact O-N 3.13Å; W257-S260 PolarHBondContact O-OG 3.26Å; W257-L261 HydrophobicContact CD2-CD1 4.28Å; W257-L261 HydrophobicContact CE3-CD1 4.13Å; W257-L261 HydrophobicContact CH2-CD1 3.58Å; W257-L261 HydrophobicContact CZ2-CD1 3.71Å; W257-L261 HydrophobicContact CZ2-CD2 4.4Å; W257-L261 HydrophobicContact CZ2-CG 4.32Å; W257-L261 HydrophobicContact CZ3-CD1 3.79Å; W257-L261 PolarHBondContact O-N 3.37Å; W257-L261 VanDerWaalsContact O-N 3.1Å; W257-I269 WeakPolarHBondContact CH2-O 3.43Å; W257-L270 HydrophobicContact CZ3-CB 4.33Å; W257-L270 HydrophobicContact CZ3-CD1 4.21Å; W257-L504 HydrophobicContact CB-CD2 4.01Å; W257-L504 HydrophobicContact CD2-CB 3.74Å; W257-L504 HydrophobicContact CD2-CD2 3.69Å; W257-L504 HydrophobicContact CD2-CG 4.34Å; W257-L504 HydrophobicContact CE3-CB 3.76Å; W257-L504 HydrophobicContact CE3-CD2 3.62Å; W257-L504 HydrophobicContact CE3-CG 4.35Å; W257-L504 HydrophobicContact CG-CB 4.48Å; W257-L504 HydrophobicContact CG-CD2 3.87Å; W257-L504 HydrophobicContact CH2-CB 3.66Å; W257-L504 HydrophobicContact CZ2-CB 3.64Å; W257-L504 HydrophobicContact CZ3-CB 3.72Å; W257-L504 HydrophobicContact CZ3-CD2 4.3Å
258	L	93.7	Very high	89.7	Confident	2 Å²	2	45 Å²	45	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-35	172	-71.1	171.3	0	0	0	112	G254 V255 H262 V282 F285 I431	G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.3Å; V255-L258 PolarHBondContact O-N 3.46Å; L258-H262 PolarHBondContact O-N 3.19Å; L258-H262 VanDerWaalsContact O-N 3.16Å; L258-V282 HydrophobicContact CD1-CG2 4.46Å; L258-F285 HydrophobicContact CB-CB 4.28Å; L258-F285 HydrophobicContact CB-CD1 4.35Å; L258-F285 HydrophobicContact CB-CD2 3.51Å; L258-F285 HydrophobicContact CB-CE2 3.95Å; L258-F285 HydrophobicContact CB-CG 3.75Å; L258-F285 HydrophobicContact CD1-CB 3.77Å; L258-F285 HydrophobicContact CD1-CD1 4.46Å; L258-F285 HydrophobicContact CD1-CG 3.99Å; L258-F285 HydrophobicContact CG-CG 4.5Å; L258-I431 HydrophobicContact CD2-CD1 4.21Å; L258-I431 HydrophobicContact CD2-CG1 4.43Å; L258-I431 HydrophobicContact CD2-CG2 3.95Å
259	W	92.2	Very high	89.9	Confident	25 Å²	25	42.2 Å²	42.2	10%	0.095	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-38.9	172.3	-178.6	-110.5	0	0	0	113.5	F237 V255 K256 W257 L261 H262 Q263 F285 L289	F237-W259 HydrophobicContact CB-CD2 3.57Å; F237-W259 VanDerWaalsContact CB-CE2 3.47Å; F237-W259 HydrophobicContact CB-CE3 3.99Å; F237-W259 HydrophobicContact CB-CG 3.97Å; F237-W259 HydrophobicContact CB-CH2 4.19Å; F237-W259 HydrophobicContact CB-CZ2 3.81Å; F237-W259 HydrophobicContact CB-CZ3 4.26Å; F237-W259 HydrophobicContact CD1-CB 4.41Å; F237-W259 HydrophobicContact CD1-CD2 4.45Å; F237-W259 HydrophobicContact CD1-CG 4.33Å; F237-W259 AromaticContact CD2-CD2 3.63Å; F237-W259 HydrophobicContact CD2-CD2 3.63Å; F237-W259 AromaticContact CD2-CE3 3.16Å; F237-W259 HydrophobicContact CD2-CE3 3.16Å; F237-W259 HydrophobicContact CD2-CG 4.29Å; F237-W259 HydrophobicContact CD2-CH2 4.12Å; F237-W259 AromaticContact CD2-CZ3 3.43Å; F237-W259 HydrophobicContact CD2-CZ3 3.43Å; F237-W259 VanDerWaalsContact CD2-CZ3 3.43Å; F237-W259 HydrophobicContact CE2-CD2 4.41Å; F237-W259 AromaticContact CE2-CE3 3.74Å; F237-W259 HydrophobicContact CE2-CE3 3.74Å; F237-W259 HydrophobicContact CE2-CZ3 4.15Å; F237-W259 HydrophobicContact CG-CB 4.42Å; F237-W259 AromaticContact CG-CD2 3.63Å; F237-W259 HydrophobicContact CG-CD2 3.63Å; F237-W259 AromaticContact CG-CE3 3.71Å; F237-W259 HydrophobicContact CG-CE3 3.71Å; F237-W259 AromaticContact CG-CG 3.94Å; F237-W259 HydrophobicContact CG-CG 3.94Å; F237-W259 HydrophobicContact CG-CZ3 4.2Å; V255-W259 PolarHBondContact O-N 3.03Å; K256-W259 PolarHBondContact O-N 3.41Å; W257-W259 PolarHBondContact O-N 3Å; W259-L261 VanDerWaalsContact C-N 3.3Å; W259-L261 PolarHBondContact O-N 3.32Å; W259-H262 HydrophobicContact CE3-CB 4.15Å; W259-H262 AromaticContact CE3-CD2 3.67Å; W259-H262 AromaticContact CH2-CD2 3.72Å; W259-H262 AromaticContact CZ3-CD2 3.21Å; W259-H262 WeakPolarHBondContact CZ3-CD2 3.42Å; W259-H262 AromaticContact CZ3-NE2 3.92Å; W259-H262 WeakPolarHBondContact O-CA 2.99Å; W259-H262 WeakPolarHBondContact O-CB 3.47Å; W259-H262 PolarHBondContact O-N 3.06Å; W259-H262 VanDerWaalsContact O-N 3.08Å; W259-Q263 HydrophobicContact CD2-CG 4.46Å; W259-Q263 HydrophobicContact CZ2-CG 4.27Å; W259-Q263 VanDerWaalsContact NE1-CD 3.33Å; W259-Q263 VanDerWaalsContact NE1-NE2 3.12Å; W259-Q263 PolarHBondContact O-N 2.66Å; W259-F285 HydrophobicContact CB-CE2 4.36Å; W259-F285 HydrophobicContact CE3-CE2 4.28Å; W259-L289 HydrophobicContact CZ3-CD1 4.23Å
260	S	91.2	Very high	90.2	Very high	29 Å²	29	37.9 Å²	37.9	20%	0.203	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-28.4	176.8	73.9	0	0	0	0	112.9	K256 W257 R264	K256-S260 PolarHBondContact O-N 3.48Å; K256-S260 VanDerWaalsContact O-N 3.08Å; W257-S260 PolarHBondContact O-N 3.39Å; W257-S260 VanDerWaalsContact O-N 3.13Å; W257-S260 PolarHBondContact O-OG 3.26Å; S260-R264 WeakPolarHBondContact O-CB 3.45Å; S260-R264 WeakPolarHBondContact O-CD 3.41Å; S260-R264 VanDerWaalsContact O-CG 3.23Å; S260-R264 WeakPolarHBondContact O-CG 3.4Å; S260-R264 PolarHBondContact O-N 3.38Å
261	L	91.1	Very high	90.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-36.9	167.5	-63.6	-179.2	0	0	0	112.8	W257 W259 R264 N265 S266 I431 Y502	W257-L261 HydrophobicContact CD2-CD1 4.28Å; W257-L261 HydrophobicContact CE3-CD1 4.13Å; W257-L261 HydrophobicContact CH2-CD1 3.58Å; W257-L261 HydrophobicContact CZ2-CD1 3.71Å; W257-L261 HydrophobicContact CZ2-CD2 4.4Å; W257-L261 HydrophobicContact CZ2-CG 4.32Å; W257-L261 HydrophobicContact CZ3-CD1 3.79Å; W257-L261 PolarHBondContact O-N 3.37Å; W257-L261 VanDerWaalsContact O-N 3.1Å; W259-L261 VanDerWaalsContact C-N 3.3Å; W259-L261 PolarHBondContact O-N 3.32Å; L261-R264 PolarHBondContact O-N 3.34Å; L261-N265 PolarHBondContact O-N 3.13Å; L261-S266 WeakPolarHBondContact CD2-OG 3.39Å; L261-S266 PolarHBondContact O-N 3.12Å; L261-S266 VanDerWaalsContact O-N 3.17Å; L261-S266 PolarHBondContact O-OG 3.39Å; L261-I431 HydrophobicContact CD1-CD1 4.01Å; L261-Y502 HydrophobicContact CD2-CD1 3.98Å
262	H	89.7	Confident	90	Very high	42 Å²	42	36.4 Å²	36.4	19%	0.194	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-51.2	173.9	-175.7	60.8	0	0	0	110.9	L258 W259 R264 N265 F285 Y402 H429	L258-H262 PolarHBondContact O-N 3.19Å; L258-H262 VanDerWaalsContact O-N 3.16Å; W259-H262 HydrophobicContact CE3-CB 4.15Å; W259-H262 AromaticContact CE3-CD2 3.67Å; W259-H262 AromaticContact CH2-CD2 3.72Å; W259-H262 AromaticContact CZ3-CD2 3.21Å; W259-H262 WeakPolarHBondContact CZ3-CD2 3.42Å; W259-H262 AromaticContact CZ3-NE2 3.92Å; W259-H262 WeakPolarHBondContact O-CA 2.99Å; W259-H262 WeakPolarHBondContact O-CB 3.47Å; W259-H262 PolarHBondContact O-N 3.06Å; W259-H262 VanDerWaalsContact O-N 3.08Å; H262-R264 PolarHBondContact O-N 3.37Å; H262-R264 VanDerWaalsContact O-N 3.15Å; H262-N265 PolarHBondContact O-N 3.43Å; H262-F285 HydrophobicContact CB-CZ 4.33Å; H262-Y402 WeakPolarHBondContact CB-OH 3.49Å; H262-Y402 AromaticContact ND1-CE2 3.85Å; H262-Y402 AromaticContact ND1-CZ 3.88Å; H262-Y402 PolarHBondContact ND1-OH 3.16Å; H262-H429 AromaticContact CE1-NE2 3.4Å; H262-H429 PolarHBondContact CE1-NE2 3.21Å; H262-H429 AromaticContact ND1-CD2 3.62Å; H262-H429 AromaticContact ND1-CE1 3.33Å; H262-H429 PolarHBondContact ND1-CE1 3.31Å; H262-H429 VanDerWaalsContact ND1-CE1 3.33Å; H262-H429 AromaticContact ND1-NE2 2.91Å; H262-H429 PolarHBondContact ND1-NE2 3.37Å; H262-H429 PolarHBondContact O-CE1 2.93Å
263	Q	87.1	Confident	89.5	Confident	109 Å²	109	35.8 Å²	35.8	51%	0.509	16%	0.162	S	C	.	.	H	α-helix	trans	-57.6	-29.5	177.6	-69.5	178.9	-42.2	0	0	113.3	W259	W259-Q263 HydrophobicContact CD2-CG 4.46Å; W259-Q263 HydrophobicContact CZ2-CG 4.27Å; W259-Q263 VanDerWaalsContact NE1-CD 3.33Å; W259-Q263 VanDerWaalsContact NE1-NE2 3.12Å; W259-Q263 PolarHBondContact O-N 2.66Å
264	R	84.9	Confident	89	Confident	130 Å²	130	30 Å²	30	49%	0.491	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.1	178.4	-71.6	170.3	-179.6	173	-0.7	114.8	S260 L261 H262 S266	S260-R264 WeakPolarHBondContact O-CB 3.45Å; S260-R264 WeakPolarHBondContact O-CD 3.41Å; S260-R264 VanDerWaalsContact O-CG 3.23Å; S260-R264 WeakPolarHBondContact O-CG 3.4Å; S260-R264 PolarHBondContact O-N 3.38Å; L261-R264 PolarHBondContact O-N 3.34Å; H262-R264 PolarHBondContact O-N 3.37Å; H262-R264 VanDerWaalsContact O-N 3.15Å; R264-S266 PolarHBondContact O-N 3.46Å
265	N	82.5	Confident	88.3	Confident	112 Å²	112	30.5 Å²	30.5	60%	0.599	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.6	-171.7	-63.7	-57.6	0	0	0	113.4	L261 H262	L261-N265 PolarHBondContact O-N 3.13Å; H262-N265 PolarHBondContact O-N 3.43Å
266	S	83.5	Confident	87.8	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.014	15%	0.146	C	C	.	.			trans	-113	161.2	-177.4	60.8	0	0	0	0	112.8	L261 R264 H429	L261-S266 WeakPolarHBondContact CD2-OG 3.39Å; L261-S266 PolarHBondContact O-N 3.12Å; L261-S266 VanDerWaalsContact O-N 3.17Å; L261-S266 PolarHBondContact O-OG 3.39Å; R264-S266 PolarHBondContact O-N 3.46Å; S266-H429 PolarHBondContact O-ND1 3.25Å
267	G	88.3	Confident	87.5	Confident	3 Å²	3	26.7 Å²	26.7	3%	0.031	14%	0.136	C	C	.	.			trans	-84.8	-174.6	162.7	0	0	0	0	0	111.7	C430	G267-C430 WeakPolarHBondContact CA-O 3.45Å
268	G	90.9	Very high	87.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	168.2	174.9	0	0	0	0	0	114.2	C430 I431 L432 Y502	G268-C430 PolarHBondContact N-O 3.12Å; G268-C430 VanDerWaalsContact N-O 3.15Å; G268-I431 WeakPolarHBondContact O-CA 3.14Å; G268-L432 PolarHBondContact O-N 3.03Å; G268-Y502 CarbonylContact C-O 3.58Å; G268-Y502 WeakPolarHBondContact CA-O 3.29Å
269	I	92.2	Very high	87.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.6	-177.2	-54.6	-178.1	0	0	0	109.8	W257 A271 L432 T434 L448 Y449 T452 Y502 F503 L504	W257-I269 WeakPolarHBondContact CH2-O 3.43Å; I269-A271 HydrophobicContact CG2-CB 4.17Å; I269-L432 CarbonylContact C-O 3.49Å; I269-L432 WeakPolarHBondContact CA-O 3.34Å; I269-L432 HydrophobicContact CG1-CB 4.37Å; I269-L432 HydrophobicContact CG2-CD2 3.95Å; I269-T434 HydrophobicContact CG2-CG2 4.1Å; I269-L448 HydrophobicContact CD1-CB 3.94Å; I269-Y449 HydrophobicContact CD1-CD1 4.3Å; I269-Y449 HydrophobicContact CD1-CD2 4.48Å; I269-Y449 HydrophobicContact CD1-CE1 3.82Å; I269-Y449 HydrophobicContact CD1-CE2 4.03Å; I269-Y449 HydrophobicContact CG1-CE1 4.2Å; I269-T452 HydrophobicContact CG1-CG2 4.25Å; I269-Y502 PolarHBondContact N-O 2.89Å; I269-F503 HydrophobicContact CB-CD2 4.06Å; I269-F503 HydrophobicContact CG2-CD2 4.18Å; I269-F503 HydrophobicContact CG2-CE2 4.23Å; I269-L504 PolarHBondContact O-N 3.01Å
270	L	92.8	Very high	87.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.4	170	-173.4	63.4	0	0	0	109	W257 K278 L432 L433 T434 L504	W257-L270 HydrophobicContact CZ3-CB 4.33Å; W257-L270 HydrophobicContact CZ3-CD1 4.21Å; L270-K278 HydrophobicContact CB-CD 4.48Å; L270-K278 HydrophobicContact CD2-CB 4.04Å; L270-K278 HydrophobicContact CD2-CD 4.24Å; L270-K278 HydrophobicContact CD2-CG 3.87Å; L270-K278 HydrophobicContact CG-CD 3.97Å; L270-K278 HydrophobicContact CG-CG 4Å; L270-K278 VanDerWaalsContact O-CD 3.22Å; L270-K278 WeakPolarHBondContact O-CD 3.41Å; L270-L432 PolarHBondContact N-O 3.4Å; L270-L433 HydrophobicContact CB-CD2 3.98Å; L270-L433 HydrophobicContact CD2-CD2 4.21Å; L270-T434 PolarHBondContact O-N 3.37Å; L270-L504 HydrophobicContact CD1-CB 4.06Å; L270-L504 HydrophobicContact CD1-CD2 3.85Å; L270-L504 HydrophobicContact CD1-CG 3.96Å
271	A	88.5	Confident	87.5	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.135	C	C	.	.			trans	-108.1	22.7	-170.7	0	0	0	0	0	114	I269 T434 A437 F503 L504 R505	I269-A271 HydrophobicContact CG2-CB 4.17Å; A271-T434 WeakPolarHBondContact CA-O 3.44Å; A271-T434 HydrophobicContact CB-CG2 3.93Å; A271-A437 HydrophobicContact CB-CB 4.1Å; A271-F503 HydrophobicContact CB-CD2 4.47Å; A271-F503 HydrophobicContact CB-CE2 3.59Å; A271-F503 HydrophobicContact CB-CZ 3.65Å; A271-L504 PolarHBondContact N-O 2.94Å; A271-R505 HydrophobicContact CB-CB 4.12Å
272	D	87.9	Confident	87.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.			trans	-49.3	145.2	172.7	-69.2	-24.6	0	0	0	112.9	L276 K278 Q281 R506	D272-L276 HydrophobicContact CB-CB 4.1Å; D272-L276 HydrophobicContact CB-CD1 4.17Å; D272-K278 HydrophobicContact CB-CD 4.11Å; D272-K278 HydrophobicContact CB-CG 3.8Å; D272-K278 PolarHBondContact O-NZ 2.95Å; D272-Q281 PolarHBondContact OD2-NE2 3.4Å; D272-R506 IonicContact OD1-CZ 2.95Å; D272-R506 VanDerWaalsContact OD1-CZ 3.26Å; D272-R506 IonicContact OD1-NE 3.33Å; D272-R506 PolarHBondContact OD1-NE 3.44Å; D272-R506 IonicContact OD1-NH2 2.67Å; D272-R506 PolarHBondContact OD1-NH2 2.88Å; D272-R506 IonicContact OD2-CZ 3.66Å; D272-R506 IonicContact OD2-NE 2.74Å; D272-R506 IonicContact OD2-NH2 3.6Å; D272-R506 PolarHBondContact OD2-NH2 2.65Å
273	D	81.2	Confident	87.9	Confident	29 Å²	29	24.3 Å²	24.3	16%	0.155	13%	0.127	C	C	.	.			trans	-52.1	152	173	-78.7	0.6	0	0	0	113.5	G275 L276 R505 R506 T507 K508	D273-G275 PolarHBondContact O-N 3.44Å; D273-L276 HydrophobicContact CB-CD1 4.02Å; D273-L276 HydrophobicContact CB-CG 4.32Å; D273-L276 PolarHBondContact O-N 3.38Å; D273-R505 IonicContact OD1-NH2 2.7Å; D273-R506 PolarHBondContact N-O 3.19Å; D273-R506 VanDerWaalsContact N-O 3.09Å; D273-T507 WeakPolarHBondContact OD2-CA 3.49Å; D273-T507 WeakPolarHBondContact OD2-CB 3.43Å; D273-K508 HydrophobicContact CB-CG 3.93Å; D273-K508 PolarHBondContact OD2-N 3.2Å
274	M	80.1	Confident	88.2	Confident	18 Å²	18	19.1 Å²	19.1	9%	0.089	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	100.2	-177.5	-66.4	176.5	-74.3	0	0	111.7	T436 K508 Q762 D765	M274-T436 HydrophobicContact CE-CG2 4.33Å; M274-K508 WeakPolarHBondContact O-CE 3.43Å; M274-K508 PolarHBondContact O-NZ 3.12Å; M274-Q762 HydrophobicContact CE-CB 3.8Å; M274-Q762 HydrophobicContact CE-CG 4.31Å; M274-Q762 HydrophobicContact SD-CB 3.88Å; M274-Q762 HydrophobicContact SD-CG 3.71Å; M274-D765 HydrophobicContact CB-CB 4.16Å; M274-D765 WeakPolarHBondContact CB-OD2 3.47Å
275	G	77.9	Confident	88.6	Confident	12 Å²	12	13.1 Å²	13.1	12%	0.124	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	140.8	-23.4	179.7	0	0	0	0	0	113.5	D273 G277 I770	D273-G275 PolarHBondContact O-N 3.44Å; G275-G277 PolarHBondContact O-N 3.06Å; G275-I770 WeakPolarHBondContact O-CD1 3.41Å
276	L	83.7	Confident	89.2	Confident	1 Å²	1	7.8 Å²	7.8	1%	0.005	5%	0.051	C	C	.	.	S	Bend	trans	-71.3	12.9	-178.4	-65	-177.1	0	0	0	115	Y250 Q251 D272 D273 Q281 R506 K508 V511	Y250-L276 HydrophobicContact CE2-CB 3.85Å; Y250-L276 HydrophobicContact CE2-CD2 4.19Å; Y250-L276 HydrophobicContact CE2-CG 4.46Å; Y250-L276 WeakPolarHBondContact CE2-O 3.32Å; Y250-L276 PolarHBondContact OH-O 2.86Å; Q251-L276 PolarHBondContact NE2-O 3.25Å; Q251-L276 VanDerWaalsContact NE2-O 3.09Å; D272-L276 HydrophobicContact CB-CB 4.1Å; D272-L276 HydrophobicContact CB-CD1 4.17Å; D273-L276 HydrophobicContact CB-CD1 4.02Å; D273-L276 HydrophobicContact CB-CG 4.32Å; D273-L276 PolarHBondContact O-N 3.38Å; L276-Q281 PolarHBondContact O-NE2 2.88Å; L276-R506 HydrophobicContact CD1-CB 4.39Å; L276-R506 VanDerWaalsContact CD1-O 3.31Å; L276-R506 WeakPolarHBondContact CD1-O 3.42Å; L276-K508 HydrophobicContact CD2-CG 4.32Å; L276-K508 HydrophobicContact CG-CG 4.44Å; L276-V511 HydrophobicContact CD1-CG2 4.21Å; L276-V511 HydrophobicContact CD2-CB 4.36Å; L276-V511 HydrophobicContact CD2-CG1 4.16Å
277	G	85.6	Confident	89.6	Confident	24 Å²	24	8.2 Å²	8.2	25%	0.247	5%	0.054	C	C	.	.			trans	69.8	42.1	170.7	0	0	0	0	0	115.8	G275 T279 V280 Q281	G275-G277 PolarHBondContact O-N 3.06Å; G277-T279 PolarHBondContact O-N 3.29Å; G277-V280 VanDerWaalsContact O-CG1 3.26Å; G277-V280 WeakPolarHBondContact O-CG1 3.43Å; G277-V280 PolarHBondContact O-N 2.88Å; G277-V280 VanDerWaalsContact O-N 3.14Å; G277-Q281 PolarHBondContact O-N 2.7Å; G277-Q281 VanDerWaalsContact O-N 3.11Å
278	K	91.2	Very high	89.6	Confident	22 Å²	22	8 Å²	8	10%	0.096	5%	0.053	C	C	.	.	H	α-helix	trans	-49.6	-42.1	171.9	-69.8	-168.3	-72.5	-87	0	112.8	L270 D272 V280 Q281 V282 L433 T434	L270-K278 HydrophobicContact CB-CD 4.48Å; L270-K278 HydrophobicContact CD2-CB 4.04Å; L270-K278 HydrophobicContact CD2-CD 4.24Å; L270-K278 HydrophobicContact CD2-CG 3.87Å; L270-K278 HydrophobicContact CG-CD 3.97Å; L270-K278 HydrophobicContact CG-CG 4Å; L270-K278 VanDerWaalsContact O-CD 3.22Å; L270-K278 WeakPolarHBondContact O-CD 3.41Å; D272-K278 HydrophobicContact CB-CD 4.11Å; D272-K278 HydrophobicContact CB-CG 3.8Å; D272-K278 PolarHBondContact O-NZ 2.95Å; K278-V280 PolarHBondContact O-N 3.15Å; K278-Q281 WeakPolarHBondContact O-CB 3.48Å; K278-Q281 PolarHBondContact O-N 3.23Å; K278-V282 WeakPolarHBondContact O-CG2 3.32Å; K278-V282 PolarHBondContact O-N 2.67Å; K278-L433 HydrophobicContact CD-CB 4.36Å; K278-T434 WeakPolarHBondContact CE-O 3.26Å; K278-T434 VanDerWaalsContact NZ-C 3.26Å; K278-T434 PolarHBondContact NZ-O 3.24Å
279	T	92.3	Very high	89.6	Confident	34 Å²	34	8.4 Å²	8.4	21%	0.209	6%	0.055	C	C	.	.	H	α-helix	trans	-58.1	-46.9	177.9	-43.9	0	0	0	0	112.3	G277 V282 I283 W311	G277-T279 PolarHBondContact O-N 3.29Å; T279-V282 PolarHBondContact O-N 2.84Å; T279-I283 HydrophobicContact CG2-CD1 3.98Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.15Å; T279-I283 PolarHBondContact O-N 3.01Å; T279-W311 HydrophobicContact CG2-CD2 3.94Å; T279-W311 HydrophobicContact CG2-CE3 3.86Å; T279-W311 HydrophobicContact CG2-CH2 3.91Å; T279-W311 HydrophobicContact CG2-CZ2 3.97Å; T279-W311 HydrophobicContact CG2-CZ3 3.84Å
280	V	92.2	Very high	89.4	Confident	12 Å²	12	10.8 Å²	10.8	7%	0.073	7%	0.065	C	C	.	.	H	α-helix	trans	-72.5	-31.7	179.9	69.7	0	0	0	0	112.2	L247 G277 K278 I283 A284 W318	L247-V280 HydrophobicContact CD2-CG1 4.41Å; L247-V280 HydrophobicContact CD2-CG2 3.98Å; G277-V280 VanDerWaalsContact O-CG1 3.26Å; G277-V280 WeakPolarHBondContact O-CG1 3.43Å; G277-V280 PolarHBondContact O-N 2.88Å; G277-V280 VanDerWaalsContact O-N 3.14Å; K278-V280 PolarHBondContact O-N 3.15Å; V280-I283 PolarHBondContact O-N 3.02Å; V280-A284 VanDerWaalsContact O-CB 3.32Å; V280-A284 WeakPolarHBondContact O-CB 3.5Å; V280-A284 PolarHBondContact O-N 2.96Å; V280-W318 HydrophobicContact CG2-CD2 3.69Å; V280-W318 HydrophobicContact CG2-CE3 4.09Å; V280-W318 HydrophobicContact CG2-CG 4.01Å; V280-W318 HydrophobicContact CG2-CH2 4.37Å; V280-W318 HydrophobicContact CG2-CZ2 4.04Å; V280-W318 HydrophobicContact CG2-CZ3 4.39Å
281	Q	93.9	Very high	89	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-44.8	169.6	-69.6	176	73.9	0	0	111.5	Q251 V255 D272 L276 G277 K278 A284 F285	Q251-Q281 HydrophobicContact CB-CG 3.67Å; Q251-Q281 HydrophobicContact CG-CG 3.78Å; V255-Q281 HydrophobicContact CG2-CB 4.46Å; V255-Q281 WeakPolarHBondContact CG2-O 3.34Å; D272-Q281 PolarHBondContact OD2-NE2 3.4Å; L276-Q281 PolarHBondContact O-NE2 2.88Å; G277-Q281 PolarHBondContact O-N 2.7Å; G277-Q281 VanDerWaalsContact O-N 3.11Å; K278-Q281 WeakPolarHBondContact O-CB 3.48Å; K278-Q281 PolarHBondContact O-N 3.23Å; Q281-A284 PolarHBondContact O-N 3.38Å; Q281-F285 WeakPolarHBondContact O-CB 2.98Å; Q281-F285 PolarHBondContact O-N 3.26Å
282	V	94.8	Very high	88.7	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-41.4	176	170.5	0	0	0	0	111.8	L258 K278 T279 F285 L286 W311 I404 L433	L258-V282 HydrophobicContact CD1-CG2 4.46Å; K278-V282 WeakPolarHBondContact O-CG2 3.32Å; K278-V282 PolarHBondContact O-N 2.67Å; T279-V282 PolarHBondContact O-N 2.84Å; V282-F285 PolarHBondContact O-N 3.32Å; V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.32Å; V282-L286 WeakPolarHBondContact O-CB 3.33Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.48Å; V282-W311 HydrophobicContact CB-CH2 4.29Å; V282-W311 HydrophobicContact CG1-CH2 4.05Å; V282-W311 HydrophobicContact CG1-CZ3 4.18Å; V282-I404 HydrophobicContact CG1-CD1 3.68Å; V282-I404 HydrophobicContact CG1-CG2 4.43Å; V282-L433 HydrophobicContact CG2-CD1 3.95Å; V282-L433 HydrophobicContact CG2-CD2 3.67Å; V282-L433 HydrophobicContact CG2-CG 4.47Å
283	I	94.5	Very high	88.1	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-40.6	177.5	-64.2	163.8	0	0	0	111.1	T279 V280 L286 S287 E314 L315 W318 A319	T279-I283 HydrophobicContact CG2-CD1 3.98Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.15Å; T279-I283 PolarHBondContact O-N 3.01Å; V280-I283 PolarHBondContact O-N 3.02Å; I283-L286 PolarHBondContact O-N 3.08Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.49Å; I283-S287 PolarHBondContact O-N 3.03Å; I283-E314 HydrophobicContact CD1-CB 3.97Å; I283-L315 HydrophobicContact CD1-CD2 4.34Å; I283-L315 HydrophobicContact CD1-CG 4.14Å; I283-L315 HydrophobicContact CG1-CD2 3.78Å; I283-L315 HydrophobicContact CG1-CG 4.08Å; I283-L315 HydrophobicContact CG2-CD2 4.16Å; I283-W318 HydrophobicContact CG2-CB 3.83Å; I283-A319 HydrophobicContact CG2-CB 3.72Å
284	A	93.2	Very high	87.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-41.1	174.7	0	0	0	0	0	112.4	L243 L247 V255 V280 Q281 S287 G288	L243-A284 HydrophobicContact CD2-CB 4.03Å; L243-A284 HydrophobicContact CG-CB 4.18Å; L247-A284 HydrophobicContact CD1-CB 3.85Å; L247-A284 HydrophobicContact CD2-CB 4.3Å; V255-A284 HydrophobicContact CG2-CB 3.87Å; V280-A284 VanDerWaalsContact O-CB 3.32Å; V280-A284 WeakPolarHBondContact O-CB 3.5Å; V280-A284 PolarHBondContact O-N 2.96Å; Q281-A284 PolarHBondContact O-N 3.38Å; A284-S287 PolarHBondContact O-N 3.36Å; A284-G288 PolarHBondContact O-N 3.25Å
285	F	94.3	Very high	86.4	Confident	3 Å²	3	33 Å²	33	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-50.5	172.7	172.5	-101.9	0	0	0	111.8	F237 V255 L258 W259 H262 Q281 V282 S287 G288 L289 Y402	F237-F285 HydrophobicContact CE2-CD2 4.25Å; F237-F285 HydrophobicContact CE2-CE2 4.27Å; F237-F285 AromaticContact CZ-CD2 3.96Å; F237-F285 HydrophobicContact CZ-CD2 3.96Å; F237-F285 HydrophobicContact CZ-CE2 4.41Å; V255-F285 HydrophobicContact CG1-CB 4.49Å; L258-F285 HydrophobicContact CB-CB 4.28Å; L258-F285 HydrophobicContact CB-CD1 4.35Å; L258-F285 HydrophobicContact CB-CD2 3.51Å; L258-F285 HydrophobicContact CB-CE2 3.95Å; L258-F285 HydrophobicContact CB-CG 3.75Å; L258-F285 HydrophobicContact CD1-CB 3.77Å; L258-F285 HydrophobicContact CD1-CD1 4.46Å; L258-F285 HydrophobicContact CD1-CG 3.99Å; L258-F285 HydrophobicContact CG-CG 4.5Å; W259-F285 HydrophobicContact CB-CE2 4.36Å; W259-F285 HydrophobicContact CE3-CE2 4.28Å; H262-F285 HydrophobicContact CB-CZ 4.33Å; Q281-F285 WeakPolarHBondContact O-CB 2.98Å; Q281-F285 PolarHBondContact O-N 3.26Å; V282-F285 PolarHBondContact O-N 3.32Å; F285-S287 VanDerWaalsContact C-N 3.35Å; F285-S287 PolarHBondContact O-N 2.64Å; F285-G288 PolarHBondContact O-N 3Å; F285-L289 HydrophobicContact CE1-CD2 4.14Å; F285-L289 HydrophobicContact CZ-CD2 4.32Å; F285-L289 WeakPolarHBondContact O-CB 3.32Å; F285-L289 PolarHBondContact O-N 3.15Å; F285-Y402 HydrophobicContact CE1-CD1 4.43Å; F285-Y402 AromaticContact CE1-CE1 3.71Å; F285-Y402 HydrophobicContact CE1-CE1 3.71Å; F285-Y402 HydrophobicContact CE1-CE2 4.27Å; F285-Y402 AromaticContact CE1-CZ 3.65Å; F285-Y402 HydrophobicContact CZ-CE1 4.18Å; F285-Y402 HydrophobicContact CZ-CE2 4.41Å; F285-Y402 AromaticContact CZ-CZ 3.74Å; F285-Y402 WeakPolarHBondContact CZ-OH 3.49Å
286	L	93.3	Very high	86.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-39.1	177.2	-70.4	-180	0	0	0	112.1	V282 I283 G288 L289 F290 V299 I301 L322 I348 I404	V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.32Å; V282-L286 WeakPolarHBondContact O-CB 3.33Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.48Å; I283-L286 PolarHBondContact O-N 3.08Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 PolarHBondContact O-N 3.19Å; L286-L289 HydrophobicContact CD2-CD2 4.19Å; L286-L289 PolarHBondContact O-N 3.44Å; L286-F290 WeakPolarHBondContact O-CD2 3.19Å; L286-F290 PolarHBondContact O-N 3.4Å; L286-V299 HydrophobicContact CD1-CG1 4.08Å; L286-V299 HydrophobicContact CD2-CG1 4.17Å; L286-V299 HydrophobicContact CD2-CG2 3.93Å; L286-I301 HydrophobicContact CD1-CD1 4.15Å; L286-L322 HydrophobicContact CB-CD1 4.5Å; L286-I348 HydrophobicContact CD1-CD1 3.97Å; L286-I404 HydrophobicContact CD1-CD1 4.03Å; L286-I404 HydrophobicContact CD2-CD1 4.27Å; L286-I404 HydrophobicContact CG-CD1 4.4Å
287	S	91.8	Very high	86.2	Confident	11 Å²	11	36.5 Å²	36.5	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-41.5	177.1	-171.8	0	0	0	0	111.9	I283 A284 F285 V291	I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.49Å; I283-S287 PolarHBondContact O-N 3.03Å; A284-S287 PolarHBondContact O-N 3.36Å; F285-S287 VanDerWaalsContact C-N 3.35Å; F285-S287 PolarHBondContact O-N 2.64Å; S287-V291 VanDerWaalsContact O-CG2 3.27Å; S287-V291 WeakPolarHBondContact O-CG2 3.23Å; S287-V291 PolarHBondContact O-N 3.38Å
288	G	89.2	Confident	86.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-40.2	172.4	0	0	0	0	0	112.4	F237 S238 A284 F285 L286 F290 V291 S292	F237-G288 VanDerWaalsContact CE2-C 3.46Å; S238-G288 VanDerWaalsContact O-CA 3.3Å; S238-G288 WeakPolarHBondContact O-CA 3.33Å; A284-G288 PolarHBondContact O-N 3.25Å; F285-G288 PolarHBondContact O-N 3Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-G288 PolarHBondContact O-N 3.19Å; G288-F290 PolarHBondContact O-N 3.4Å; G288-V291 PolarHBondContact O-N 3.4Å; G288-V291 VanDerWaalsContact O-N 3.14Å; G288-S292 PolarHBondContact O-N 2.96Å
289	L	90.4	Very high	86.7	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-47.2	179.9	-177.3	67.5	0	0	0	111.4	F237 W259 F285 L286 V291 S292 S293 Y402	F237-L289 HydrophobicContact CE2-CB 4.47Å; W259-L289 HydrophobicContact CZ3-CD1 4.23Å; F285-L289 HydrophobicContact CE1-CD2 4.14Å; F285-L289 HydrophobicContact CZ-CD2 4.32Å; F285-L289 WeakPolarHBondContact O-CB 3.32Å; F285-L289 PolarHBondContact O-N 3.15Å; L286-L289 HydrophobicContact CD2-CD2 4.19Å; L286-L289 PolarHBondContact O-N 3.44Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 2.87Å; L289-S292 PolarHBondContact O-N 3.47Å; L289-S293 WeakPolarHBondContact O-CA 3.18Å; L289-S293 WeakPolarHBondContact O-CB 3.42Å; L289-S293 PolarHBondContact O-N 3.46Å; L289-S293 PolarHBondContact O-OG 3.03Å; L289-S293 VanDerWaalsContact O-OG 3.07Å; L289-Y402 HydrophobicContact CD2-CD2 3.68Å; L289-Y402 HydrophobicContact CD2-CE2 3.46Å; L289-Y402 VanDerWaalsContact CD2-CE2 3.46Å
290	F	88.7	Confident	86.8	Confident	50 Å²	50	33 Å²	33	22%	0.219	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-26	177.3	-86.1	-80.8	0	0	0	113.5	L286 G288 S293 C297 V299 L322 I348	L286-F290 WeakPolarHBondContact O-CD2 3.19Å; L286-F290 PolarHBondContact O-N 3.4Å; G288-F290 PolarHBondContact O-N 3.4Å; F290-S293 PolarHBondContact O-OG 3Å; F290-C297 HydrophobicContact CD1-CB 4.07Å; F290-C297 HydrophobicContact CE1-CB 3.68Å; F290-C297 WeakPolarHBondContact CE1-O 3.41Å; F290-C297 HydrophobicContact CE2-CB 4.5Å; F290-C297 HydrophobicContact CZ-CB 3.92Å; F290-V299 HydrophobicContact CE2-CG2 3.82Å; F290-V299 HydrophobicContact CZ-CG2 4.01Å; F290-L322 HydrophobicContact CB-CD2 3.68Å; F290-L322 HydrophobicContact CD2-CD2 3.63Å; F290-L322 HydrophobicContact CE2-CD2 4.42Å; F290-L322 HydrophobicContact CG-CD2 3.73Å; F290-I348 HydrophobicContact CE2-CD1 4.23Å; F290-I348 HydrophobicContact CE2-CG1 3.89Å; F290-I348 HydrophobicContact CZ-CG1 4.24Å
291	V	85	Confident	87	Confident	71 Å²	71	32.4 Å²	32.4	43%	0.43	17%	0.17	S	C	.	.	H	α-helix	trans	-78	-44.4	175	167.1	0	0	0	0	111.4	L230 S287 G288 L289	L230-V291 HydrophobicContact CD1-CG1 3.96Å; L230-V291 HydrophobicContact CD2-CG1 4.15Å; S287-V291 VanDerWaalsContact O-CG2 3.27Å; S287-V291 WeakPolarHBondContact O-CG2 3.23Å; S287-V291 PolarHBondContact O-N 3.38Å; G288-V291 PolarHBondContact O-N 3.4Å; G288-V291 VanDerWaalsContact O-N 3.14Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 2.87Å
292	S	82	Confident	87.1	Confident	37 Å²	37	32.4 Å²	32.4	26%	0.259	17%	0.17	S	C	.	.	H	α-helix	trans	-77.7	-23.4	178.3	-76.7	0	0	0	0	113.9	G236 F237 S238 G288 L289 K294	G236-S292 VanDerWaalsContact O-CB 3.28Å; G236-S292 WeakPolarHBondContact O-CB 3.43Å; G236-S292 PolarHBondContact O-OG 3.03Å; F237-S292 WeakPolarHBondContact CA-OG 3.38Å; S238-S292 PolarHBondContact N-OG 3.06Å; G288-S292 PolarHBondContact O-N 2.96Å; L289-S292 PolarHBondContact O-N 3.47Å; S292-K294 PolarHBondContact O-N 2.91Å
293	S	74.3	Confident	87	Confident	40 Å²	40	32.3 Å²	32.3	28%	0.28	17%	0.169	S	C	.	.			trans	-72.6	120	-175.5	64.5	0	0	0	0	112.7	L289 F290 F295	L289-S293 WeakPolarHBondContact O-CA 3.18Å; L289-S293 WeakPolarHBondContact O-CB 3.42Å; L289-S293 PolarHBondContact O-N 3.46Å; L289-S293 PolarHBondContact O-OG 3.03Å; L289-S293 VanDerWaalsContact O-OG 3.07Å; F290-S293 PolarHBondContact O-OG 3Å; S293-F295 PolarHBondContact O-N 3.32Å; S293-F295 PolarHBondContact OG-O 3.42Å
294	K	63	Low	86.7	Confident	187 Å²	187	33.4 Å²	33.4	81%	0.813	18%	0.176	S	C	*	.	S	Bend	trans	-77.1	0.5	172.3	-61	179.7	-177.1	175.2	0	113.9	S292	S292-K294 PolarHBondContact O-N 2.91Å
295	F	63.5	Low	86.2	Confident	179 Å²	179	36.5 Å²	36.5	79%	0.785	20%	0.195	S	C	*	.	S	Bend	trans	-130.6	160.7	-173.2	-58.9	-74.5	0	0	0	111.1	S293 C297	S293-F295 PolarHBondContact O-N 3.32Å; S293-F295 PolarHBondContact OG-O 3.42Å; F295-C297 PolarHBondContact O-N 2.93Å
296	S	72.3	Confident	85.3	Confident	81 Å²	81	37.6 Å²	37.6	57%	0.566	20%	0.203	S	C	*	.			trans	-72.2	87.8	180	52.2	0	0	0	0	112
297	C	84.9	Confident	84.8	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.034	21%	0.208	C	C	.	.			trans	-61.3	136	175.3	-175.6	0	0	0	0	111.5	F290 F295 G346 G347	F290-C297 HydrophobicContact CD1-CB 4.07Å; F290-C297 HydrophobicContact CE1-CB 3.68Å; F290-C297 WeakPolarHBondContact CE1-O 3.41Å; F290-C297 HydrophobicContact CE2-CB 4.5Å; F290-C297 HydrophobicContact CZ-CB 3.92Å; F295-C297 PolarHBondContact O-N 2.93Å; C297-G346 VanDerWaalsContact O-CA 3.22Å; C297-G346 WeakPolarHBondContact O-CA 3.36Å; C297-G347 PolarHBondContact O-N 3.22Å
298	T	92.1	Very high	84.7	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.3	176.6	54.2	0	0	0	0	110.5	F398 T401 Y402	T298-F398 HydrophobicContact CG2-CZ 4.15Å; T298-T401 PolarHBondContact N-OG1 2.89Å; T298-T401 WeakPolarHBondContact O-CA 3.46Å; T298-T401 VanDerWaalsContact O-CB 3.28Å; T298-T401 WeakPolarHBondContact O-CB 3.45Å; T298-T401 PolarHBondContact O-N 3.39Å; T298-T401 PolarHBondContact OG1-N 3.01Å; T298-T401 PolarHBondContact OG1-OG1 3.47Å; T298-Y402 PolarHBondContact O-N 2.87Å
299	V	94.5	Very high	84.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.4	-172	-174	0	0	0	0	109.4	L286 F290 I301 G347 I348 L349 Y402 I404	L286-V299 HydrophobicContact CD1-CG1 4.08Å; L286-V299 HydrophobicContact CD2-CG1 4.17Å; L286-V299 HydrophobicContact CD2-CG2 3.93Å; F290-V299 HydrophobicContact CE2-CG2 3.82Å; F290-V299 HydrophobicContact CZ-CG2 4.01Å; V299-I301 HydrophobicContact CG1-CD1 4.41Å; V299-I301 HydrophobicContact CG1-CG1 3.89Å; V299-G347 PolarHBondContact N-O 2.69Å; V299-I348 HydrophobicContact CB-CB 4.47Å; V299-I348 HydrophobicContact CB-CG1 4.06Å; V299-I348 HydrophobicContact CB-CG2 4.49Å; V299-I348 HydrophobicContact CG2-CG1 4.29Å; V299-I348 CarbonylContact O-C 3.54Å; V299-I348 WeakPolarHBondContact O-CA 3.38Å; V299-L349 PolarHBondContact O-N 3.3Å; V299-Y402 WeakPolarHBondContact CA-O 3.42Å; V299-I404 HydrophobicContact CG1-CD1 4.04Å; V299-I404 HydrophobicContact CG1-CG1 4.37Å
300	L	95.6	Very high	84.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.7	171	-175.9	58.6	0	0	0	109	V302 L349 T351 L363 W400 Y402 L403 I404 I425	L300-V302 HydrophobicContact CG-CG2 4.24Å; L300-L349 HydrophobicContact CD1-CB 4.12Å; L300-L349 HydrophobicContact CD1-CD2 4.03Å; L300-L349 HydrophobicContact CD1-CG 4.39Å; L300-T351 HydrophobicContact CD1-CG2 3.68Å; L300-T351 HydrophobicContact CG-CG2 4.37Å; L300-L363 HydrophobicContact CD1-CD2 4.44Å; L300-W400 HydrophobicContact CB-CD2 3.87Å; L300-W400 HydrophobicContact CB-CE3 3.7Å; L300-W400 HydrophobicContact CB-CH2 4.27Å; L300-W400 HydrophobicContact CB-CZ2 4.41Å; L300-W400 HydrophobicContact CB-CZ3 3.91Å; L300-W400 HydrophobicContact CD1-CH2 4.23Å; L300-W400 HydrophobicContact CD1-CZ2 4.38Å; L300-W400 HydrophobicContact CD2-CD2 4.44Å; L300-W400 HydrophobicContact CD2-CZ2 4.2Å; L300-Y402 PolarHBondContact N-O 3.03Å; L300-L403 HydrophobicContact CB-CD1 4.22Å; L300-L403 HydrophobicContact CD2-CD1 4.12Å; L300-L403 HydrophobicContact CG-CD1 4.14Å; L300-L403 WeakPolarHBondContact O-CA 3.26Å; L300-I404 PolarHBondContact O-N 3.47Å; L300-I425 HydrophobicContact CD2-CD1 3.67Å; L300-I425 HydrophobicContact CD2-CG1 4.45Å; L300-I425 HydrophobicContact CD2-CG2 4.39Å
301	I	96.4	Very high	84.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.7	174.1	-47	-174.3	0	0	0	108.1	L286 V299 M303 W311 I348 L349 L350 T351 I404	L286-I301 HydrophobicContact CD1-CD1 4.15Å; V299-I301 HydrophobicContact CG1-CD1 4.41Å; V299-I301 HydrophobicContact CG1-CG1 3.89Å; I301-M303 HydrophobicContact CB-CE 3.89Å; I301-M303 HydrophobicContact CG2-CE 3.69Å; I301-M303 WeakPolarHBondContact O-CE 3.49Å; I301-W311 HydrophobicContact CD1-CE3 4.11Å; I301-W311 HydrophobicContact CD1-CZ3 3.88Å; I301-W311 HydrophobicContact CG2-CD2 4.39Å; I301-W311 HydrophobicContact CG2-CE3 4.29Å; I301-W311 HydrophobicContact CG2-CH2 4.3Å; I301-W311 HydrophobicContact CG2-CZ2 4.41Å; I301-W311 HydrophobicContact CG2-CZ3 4.24Å; I301-I348 HydrophobicContact CD1-CG2 3.61Å; I301-I348 HydrophobicContact CG1-CG2 3.88Å; I301-L349 PolarHBondContact N-O 3.16Å; I301-L350 HydrophobicContact CB-CD2 3.93Å; I301-L350 HydrophobicContact CD1-CD2 3.93Å; I301-L350 HydrophobicContact CG1-CD2 4.18Å; I301-T351 PolarHBondContact O-N 3.29Å; I301-I404 WeakPolarHBondContact CA-O 3.37Å; I301-I404 HydrophobicContact CG1-CB 4.26Å; I301-I404 HydrophobicContact CG1-CD1 4.46Å; I301-I404 HydrophobicContact CG2-CB 4.26Å; I301-I404 HydrophobicContact CG2-CG2 4.35Å
302	V	95.3	Very high	84.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.8	179.7	-168.7	0	0	0	0	108.7	L300 T351 Y353 L356 L403 I404 L405 D406	L300-V302 HydrophobicContact CG-CG2 4.24Å; V302-T351 WeakPolarHBondContact CA-O 3.5Å; V302-T351 HydrophobicContact CB-CG2 4.35Å; V302-T351 HydrophobicContact CG1-CG2 4.33Å; V302-T351 HydrophobicContact CG2-CG2 3.85Å; V302-Y353 HydrophobicContact CB-CE1 4.39Å; V302-Y353 HydrophobicContact CG1-CD1 3.5Å; V302-Y353 VanDerWaalsContact CG1-CD1 3.5Å; V302-Y353 HydrophobicContact CG1-CD2 4.31Å; V302-Y353 HydrophobicContact CG1-CE1 3.71Å; V302-Y353 HydrophobicContact CG1-CE2 4.47Å; V302-Y353 HydrophobicContact CG1-CG 3.84Å; V302-L356 HydrophobicContact CG1-CB 4.44Å; V302-L356 HydrophobicContact CG1-CD2 3.98Å; V302-L356 HydrophobicContact CG2-CD2 4.22Å; V302-L403 HydrophobicContact CG2-CD1 3.86Å; V302-I404 PolarHBondContact N-O 3.1Å; V302-L405 HydrophobicContact CB-CD2 3.72Å; V302-L405 HydrophobicContact CG1-CD2 4.49Å; V302-L405 HydrophobicContact CG2-CD2 3.74Å; V302-D406 PolarHBondContact O-N 3.29Å
303	M	93	Very high	84.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	169.1	-175.8	66.5	-139.2	76.6	0	0	112.2	I301 L308 W311 L350 T351 T352 Y353 D406	I301-M303 HydrophobicContact CB-CE 3.89Å; I301-M303 HydrophobicContact CG2-CE 3.69Å; I301-M303 WeakPolarHBondContact O-CE 3.49Å; M303-L308 HydrophobicContact CG-CB 4.2Å; M303-L308 HydrophobicContact SD-CB 4.08Å; M303-L308 HydrophobicContact SD-CG 4.29Å; M303-W311 HydrophobicContact SD-CB 3.71Å; M303-W311 HydrophobicContact SD-CD2 4.5Å; M303-W311 HydrophobicContact SD-CG 3.63Å; M303-L350 HydrophobicContact CE-CB 3.88Å; M303-L350 HydrophobicContact CE-CD2 4.06Å; M303-L350 HydrophobicContact CE-CG 4.5Å; M303-T351 WeakPolarHBondContact CE-O 3.44Å; M303-T351 PolarHBondContact N-O 3.08Å; M303-T351 VanDerWaalsContact N-O 3.09Å; M303-T352 VanDerWaalsContact O-CA 3.25Å; M303-T352 WeakPolarHBondContact O-CA 3.1Å; M303-Y353 WeakPolarHBondContact O-CD2 3.43Å; M303-Y353 PolarHBondContact O-N 3.35Å; M303-D406 HydrophobicContact CB-CB 4.05Å
304	P	87.1	Confident	85.6	Confident	23 Å²	23	42 Å²	42	15%	0.149	23%	0.229	C	C	.	.			trans	-64.5	143.2	164	-14.5	29.1	0	0	0	110.2	S306 V307 E407	P304-S306 PolarHBondContact O-N 3.45Å; P304-V307 HydrophobicContact CB-CG2 4.1Å; P304-V307 HydrophobicContact CG-CG2 4.01Å; P304-V307 PolarHBondContact O-N 3.5Å; P304-E407 HydrophobicContact CG-CB 3.95Å; P304-E407 HydrophobicContact CG-CG 4.23Å
305	V	83.8	Confident	87	Confident	65 Å²	65	33.2 Å²	33.2	39%	0.394	19%	0.191	S	C	.	.	H	α-helix	trans	-44.5	-44.5	178	176.3	0	0	0	0	111.8	V307 L308 T352	V305-V307 PolarHBondContact O-N 3.41Å; V305-V307 VanDerWaalsContact O-N 3.17Å; V305-L308 WeakPolarHBondContact O-CB 3.01Å; V305-L308 PolarHBondContact O-N 3.36Å; V305-L308 VanDerWaalsContact O-N 3.17Å; V305-T352 HydrophobicContact CB-CG2 4.37Å; V305-T352 HydrophobicContact CG2-CG2 3.93Å
306	S	75.4	Confident	88.3	Confident	26 Å²	26	30.4 Å²	30.4	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-18.5	-175.3	74.2	0	0	0	0	115.5	P304 V738	P304-S306 PolarHBondContact O-N 3.45Å; S306-V738 PolarHBondContact OG-O 3.04Å
307	V	83.5	Confident	89.1	Confident	15 Å²	15	34.5 Å²	34.5	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-101.1	-10.6	-179.6	-155.2	0	0	0	0	111.5	P304 V305 V309 T310 W311	P304-V307 HydrophobicContact CB-CG2 4.1Å; P304-V307 HydrophobicContact CG-CG2 4.01Å; P304-V307 PolarHBondContact O-N 3.5Å; V305-V307 PolarHBondContact O-N 3.41Å; V305-V307 VanDerWaalsContact O-N 3.17Å; V307-V309 PolarHBondContact O-N 2.9Å; V307-T310 WeakPolarHBondContact O-CA 3.18Å; V307-T310 WeakPolarHBondContact O-CB 3.45Å; V307-T310 PolarHBondContact O-N 3.44Å; V307-W311 PolarHBondContact O-N 2.81Å
308	L	87.7	Confident	89.3	Confident	10 Å²	10	37 Å²	37	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-45.2	-172.9	-177.1	147.2	0	0	0	112.9	M303 V305 T310 W311 E312 V326 H328 T352	M303-L308 HydrophobicContact CG-CB 4.2Å; M303-L308 HydrophobicContact SD-CB 4.08Å; M303-L308 HydrophobicContact SD-CG 4.29Å; V305-L308 WeakPolarHBondContact O-CB 3.01Å; V305-L308 PolarHBondContact O-N 3.36Å; V305-L308 VanDerWaalsContact O-N 3.17Å; L308-T310 VanDerWaalsContact C-N 3.26Å; L308-T310 PolarHBondContact O-N 3.07Å; L308-W311 PolarHBondContact O-N 3.43Å; L308-E312 PolarHBondContact O-N 3.33Å; L308-V326 HydrophobicContact CD1-CG1 4.3Å; L308-V326 HydrophobicContact CD2-CG1 3.94Å; L308-V326 HydrophobicContact CD2-CG2 4.36Å; L308-H328 HydrophobicContact CD1-CB 3.82Å; L308-T352 HydrophobicContact CD1-CG2 3.55Å
309	V	84.5	Confident	89.1	Confident	67 Å²	67	37 Å²	37	41%	0.406	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-34	176.3	-177.1	0	0	0	0	111.2	V307 A313 V710	V307-V309 PolarHBondContact O-N 2.9Å; V309-A313 VanDerWaalsContact O-CB 3.32Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.33Å; V309-V710 HydrophobicContact CG2-CG1 4.33Å
310	T	85	Confident	88.8	Confident	68 Å²	68	42.1 Å²	42.1	42%	0.417	22%	0.224	S	C	.	.	H	α-helix	trans	-70.9	-42.7	176.2	-50.3	0	0	0	0	111.8	V307 L308 A313 E314	V307-T310 WeakPolarHBondContact O-CA 3.18Å; V307-T310 WeakPolarHBondContact O-CB 3.45Å; V307-T310 PolarHBondContact O-N 3.44Å; L308-T310 VanDerWaalsContact C-N 3.26Å; L308-T310 PolarHBondContact O-N 3.07Å; T310-A313 PolarHBondContact O-N 3.33Å; T310-E314 HydrophobicContact CG2-CG 4.31Å; T310-E314 WeakPolarHBondContact O-CB 3.23Å; T310-E314 WeakPolarHBondContact O-CG 3.49Å; T310-E314 PolarHBondContact O-N 3.11Å
311	W	91	Very high	88.2	Confident	1 Å²	1	46 Å²	46	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-44.1	174.1	-88.5	95.6	0	0	0	111.9	T279 V282 I301 M303 V307 L308 L315 L350 D406 L433	T279-W311 HydrophobicContact CG2-CD2 3.94Å; T279-W311 HydrophobicContact CG2-CE3 3.86Å; T279-W311 HydrophobicContact CG2-CH2 3.91Å; T279-W311 HydrophobicContact CG2-CZ2 3.97Å; T279-W311 HydrophobicContact CG2-CZ3 3.84Å; V282-W311 HydrophobicContact CB-CH2 4.29Å; V282-W311 HydrophobicContact CG1-CH2 4.05Å; V282-W311 HydrophobicContact CG1-CZ3 4.18Å; I301-W311 HydrophobicContact CD1-CE3 4.11Å; I301-W311 HydrophobicContact CD1-CZ3 3.88Å; I301-W311 HydrophobicContact CG2-CD2 4.39Å; I301-W311 HydrophobicContact CG2-CE3 4.29Å; I301-W311 HydrophobicContact CG2-CH2 4.3Å; I301-W311 HydrophobicContact CG2-CZ2 4.41Å; I301-W311 HydrophobicContact CG2-CZ3 4.24Å; M303-W311 HydrophobicContact SD-CB 3.71Å; M303-W311 HydrophobicContact SD-CD2 4.5Å; M303-W311 HydrophobicContact SD-CG 3.63Å; V307-W311 PolarHBondContact O-N 2.81Å; L308-W311 PolarHBondContact O-N 3.43Å; W311-L315 HydrophobicContact CE3-CD1 4.38Å; W311-L315 VanDerWaalsContact O-CB 3.31Å; W311-L315 WeakPolarHBondContact O-CB 3.48Å; W311-L315 WeakPolarHBondContact O-CD1 3.31Å; W311-L315 WeakPolarHBondContact O-CG 3.36Å; W311-L315 PolarHBondContact O-N 2.91Å; W311-L350 HydrophobicContact CB-CD1 4.38Å; W311-D406 HydrophobicContact CZ2-CB 3.96Å; W311-D406 PolarHBondContact NE1-OD2 3.32Å; W311-L433 HydrophobicContact CH2-CD1 3.83Å; W311-L433 HydrophobicContact CZ2-CD1 3.75Å
312	E	90.6	Very high	87.7	Confident	55 Å²	55	47.1 Å²	47.1	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-43.9	177.1	-168.6	-173	175.2	0	0	112	L308 K316 V326 L350	L308-E312 PolarHBondContact O-N 3.33Å; E312-K316 HydrophobicContact CG-CD 4.39Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.19Å; E312-K316 PolarHBondContact O-N 3.33Å; E312-K316 VanDerWaalsContact O-N 3.16Å; E312-K316 VanDerWaalsContact OE1-CE 3.32Å; E312-K316 WeakPolarHBondContact OE1-CE 3.15Å; E312-K316 IonicContact OE1-NZ 3.7Å; E312-K316 PolarHBondContact OE1-NZ 3.04Å; E312-V326 HydrophobicContact CG-CG2 4.36Å; E312-L350 HydrophobicContact CB-CD1 4Å
313	A	88.2	Confident	87.5	Confident	51 Å²	51	51.4 Å²	51.4	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-46.4	178.3	0	0	0	0	0	112.5	V309 T310 K316 R317	V309-A313 VanDerWaalsContact O-CB 3.32Å; V309-A313 WeakPolarHBondContact O-CB 3.39Å; V309-A313 PolarHBondContact O-N 3.33Å; T310-A313 PolarHBondContact O-N 3.33Å; A313-K316 PolarHBondContact O-N 3.36Å; A313-R317 VanDerWaalsContact O-CB 3.26Å; A313-R317 WeakPolarHBondContact O-CB 3.28Å; A313-R317 PolarHBondContact O-N 3.36Å
314	E	90.5	Very high	87.4	Confident	44 Å²	44	53.1 Å²	53.1	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-36.9	-179.5	-70.7	-72	113.5	0	0	111.7	I283 T310 R317 W318	I283-E314 HydrophobicContact CD1-CB 3.97Å; T310-E314 HydrophobicContact CG2-CG 4.31Å; T310-E314 WeakPolarHBondContact O-CB 3.23Å; T310-E314 WeakPolarHBondContact O-CG 3.49Å; T310-E314 PolarHBondContact O-N 3.11Å; E314-R317 PolarHBondContact O-N 3.36Å; E314-R317 VanDerWaalsContact OE1-CD 3.3Å; E314-R317 WeakPolarHBondContact OE1-CD 3.36Å; E314-R317 IonicContact OE1-CZ 2.68Å; E314-R317 IonicContact OE1-NE 2.7Å; E314-R317 IonicContact OE1-NH1 3.68Å; E314-R317 PolarHBondContact OE1-NH1 3.4Å; E314-R317 IonicContact OE2-NH1 3.5Å; E314-W318 PolarHBondContact O-N 3.48Å; E314-W318 PolarHBondContact OE2-NE1 2.86Å
315	L	92.1	Very high	87.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-49	172.5	-85.6	160.3	0	0	0	111.9	I283 W311 R317 A319 L322 V324 I348 L350	I283-L315 HydrophobicContact CD1-CD2 4.34Å; I283-L315 HydrophobicContact CD1-CG 4.14Å; I283-L315 HydrophobicContact CG1-CD2 3.78Å; I283-L315 HydrophobicContact CG1-CG 4.08Å; I283-L315 HydrophobicContact CG2-CD2 4.16Å; W311-L315 HydrophobicContact CE3-CD1 4.38Å; W311-L315 VanDerWaalsContact O-CB 3.31Å; W311-L315 WeakPolarHBondContact O-CB 3.48Å; W311-L315 WeakPolarHBondContact O-CD1 3.31Å; W311-L315 WeakPolarHBondContact O-CG 3.36Å; W311-L315 PolarHBondContact O-N 2.91Å; L315-R317 PolarHBondContact O-N 2.79Å; L315-A319 CarbonylContact O-C 3.27Å; L315-A319 PolarHBondContact O-N 3.24Å; L315-L322 HydrophobicContact CD2-CD1 4.4Å; L315-V324 HydrophobicContact CB-CG2 3.97Å; L315-V324 HydrophobicContact CD1-CG1 4.05Å; L315-V324 HydrophobicContact CD1-CG2 3.95Å; L315-V324 HydrophobicContact CD2-CG2 4.26Å; L315-V324 HydrophobicContact CG-CG2 4.3Å; L315-I348 HydrophobicContact CD1-CG2 4.41Å; L315-I348 HydrophobicContact CD2-CD1 3.83Å; L315-L350 HydrophobicContact CD1-CD1 4.18Å; L315-L350 HydrophobicContact CD1-CD2 3.78Å; L315-L350 HydrophobicContact CD1-CG 4.49Å
316	K	91.1	Very high	88	Confident	121 Å²	121	52 Å²	52	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-33.3	175.9	-71.8	172.4	-175	172.6	0	112.5	E312 A313 P320	E312-K316 HydrophobicContact CG-CD 4.39Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.19Å; E312-K316 PolarHBondContact O-N 3.33Å; E312-K316 VanDerWaalsContact O-N 3.16Å; E312-K316 VanDerWaalsContact OE1-CE 3.32Å; E312-K316 WeakPolarHBondContact OE1-CE 3.15Å; E312-K316 IonicContact OE1-NZ 3.7Å; E312-K316 PolarHBondContact OE1-NZ 3.04Å; A313-K316 PolarHBondContact O-N 3.36Å; K316-P320 WeakPolarHBondContact O-CB 3.49Å
317	R	89.5	Confident	88.6	Confident	167 Å²	167	50.8 Å²	50.8	63%	0.63	28%	0.279	S	S	*	.	H	α-helix	trans	-74.3	-46.4	-179	179.9	-172.8	-176.8	-174.5	1.2	113.4	A313 E314 L315	A313-R317 VanDerWaalsContact O-CB 3.26Å; A313-R317 WeakPolarHBondContact O-CB 3.28Å; A313-R317 PolarHBondContact O-N 3.36Å; E314-R317 PolarHBondContact O-N 3.36Å; E314-R317 VanDerWaalsContact OE1-CD 3.3Å; E314-R317 WeakPolarHBondContact OE1-CD 3.36Å; E314-R317 IonicContact OE1-CZ 2.68Å; E314-R317 IonicContact OE1-NE 2.7Å; E314-R317 IonicContact OE1-NH1 3.68Å; E314-R317 PolarHBondContact OE1-NH1 3.4Å; E314-R317 IonicContact OE2-NH1 3.5Å; L315-R317 PolarHBondContact O-N 2.79Å
318	W	89.1	Confident	88.7	Confident	57 Å²	57	50.9 Å²	50.9	22%	0.216	28%	0.278	C	S	.	.	H	α-helix	trans	-93.7	-29	-172	-68.6	108.5	0	0	0	113.6	L243 K246 V280 I283 E314	L243-W318 HydrophobicContact CD1-CB 4.05Å; L243-W318 HydrophobicContact CD1-CD2 4.22Å; L243-W318 HydrophobicContact CD1-CE3 3.51Å; L243-W318 HydrophobicContact CD1-CG 4.47Å; L243-W318 HydrophobicContact CD1-CZ3 4.27Å; K246-W318 HydrophobicContact CB-CH2 4.42Å; K246-W318 HydrophobicContact CB-CZ3 3.82Å; K246-W318 HydrophobicContact CD-CZ3 3.83Å; K246-W318 HydrophobicContact CG-CZ3 4.49Å; V280-W318 HydrophobicContact CG2-CD2 3.69Å; V280-W318 HydrophobicContact CG2-CE3 4.09Å; V280-W318 HydrophobicContact CG2-CG 4.01Å; V280-W318 HydrophobicContact CG2-CH2 4.37Å; V280-W318 HydrophobicContact CG2-CZ2 4.04Å; V280-W318 HydrophobicContact CG2-CZ3 4.39Å; I283-W318 HydrophobicContact CG2-CB 3.83Å; E314-W318 PolarHBondContact O-N 3.48Å; E314-W318 PolarHBondContact OE2-NE1 2.86Å
319	A	88.2	Confident	87.9	Confident	7 Å²	7	55.9 Å²	55.9	6%	0.058	31%	0.305	C	S	.	.			trans	-142.7	63.5	-176.4	0	0	0	0	0	111.8	I283 L315 G321 L322	I283-A319 HydrophobicContact CG2-CB 3.72Å; L315-A319 CarbonylContact O-C 3.27Å; L315-A319 PolarHBondContact O-N 3.24Å; A319-G321 PolarHBondContact O-N 2.92Å; A319-L322 HydrophobicContact CB-CD1 3.52Å; A319-L322 HydrophobicContact CB-CG 3.79Å; A319-L322 WeakPolarHBondContact O-CB 3.4Å; A319-L322 PolarHBondContact O-N 3.18Å
320	P	87.4	Confident	87.2	Confident	107 Å²	107	56.9 Å²	56.9	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.3	-174.4	23.1	-34.4	0	0	0	115.1	K316 L322	K316-P320 WeakPolarHBondContact O-CB 3.49Å; P320-L322 VanDerWaalsContact C-N 3.3Å
321	G	83.2	Confident	86.9	Confident	80 Å²	80	56.5 Å²	56.5	83%	0.825	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.7	173.1	0	0	0	0	0	114.6	A319	A319-G321 PolarHBondContact O-N 2.92Å
322	L	86.4	Confident	86.3	Confident	25 Å²	25	61.5 Å²	61.5	13%	0.131	33%	0.327	C	S	.	.	S	Bend	trans	-80.1	132.4	178.8	-64.4	-178.5	0	0	0	111.3	L286 F290 L315 A319 P320 V324 I348	L286-L322 HydrophobicContact CB-CD1 4.5Å; F290-L322 HydrophobicContact CB-CD2 3.68Å; F290-L322 HydrophobicContact CD2-CD2 3.63Å; F290-L322 HydrophobicContact CE2-CD2 4.42Å; F290-L322 HydrophobicContact CG-CD2 3.73Å; L315-L322 HydrophobicContact CD2-CD1 4.4Å; A319-L322 HydrophobicContact CB-CD1 3.52Å; A319-L322 HydrophobicContact CB-CG 3.79Å; A319-L322 WeakPolarHBondContact O-CB 3.4Å; A319-L322 PolarHBondContact O-N 3.18Å; P320-L322 VanDerWaalsContact C-N 3.3Å; L322-V324 PolarHBondContact O-N 3.17Å; L322-V324 VanDerWaalsContact O-N 3.16Å; L322-I348 HydrophobicContact CB-CD1 4.26Å; L322-I348 HydrophobicContact CD1-CD1 3.94Å
323	R	90.1	Very high	85.6	Confident	90 Å²	90	60.6 Å²	60.6	34%	0.34	33%	0.33	S	S	.	.			trans	-78.1	100.4	177.9	-175.2	177.4	-178	-121.8	2.7	110.8	S341 G346 G347 I348	R323-S341 PolarHBondContact NH1-O 2.92Å; R323-S341 PolarHBondContact NH2-O 2.7Å; R323-S341 PolarHBondContact NH2-OG 2.69Å; R323-G346 PolarHBondContact NH1-O 3.28Å; R323-G347 WeakPolarHBondContact O-CA 3.45Å; R323-I348 PolarHBondContact O-N 3.27Å
324	V	91.6	Very high	85.3	Confident	36 Å²	36	61.1 Å²	61.1	22%	0.218	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.2	179.2	-175.3	0	0	0	0	110.8	L315 L322 I348 L350	L315-V324 HydrophobicContact CB-CG2 3.97Å; L315-V324 HydrophobicContact CD1-CG1 4.05Å; L315-V324 HydrophobicContact CD1-CG2 3.95Å; L315-V324 HydrophobicContact CD2-CG2 4.26Å; L315-V324 HydrophobicContact CG-CG2 4.3Å; L322-V324 PolarHBondContact O-N 3.17Å; L322-V324 VanDerWaalsContact O-N 3.16Å; V324-I348 WeakPolarHBondContact CA-O 3.45Å; V324-I348 HydrophobicContact CG2-CB 4.36Å; V324-I348 HydrophobicContact CG2-CD1 4.38Å; V324-L350 HydrophobicContact CG1-CD1 3.6Å; V324-L350 HydrophobicContact CG1-CD2 4.35Å; V324-L350 HydrophobicContact CG1-CG 3.76Å
325	I	91.3	Very high	85	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.159	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.2	176.1	-69.4	170.9	0	0	0	109.7	S338 V342 I348 L349 L350	I325-S338 WeakPolarHBondContact CG2-OG 3.47Å; I325-V342 HydrophobicContact CB-CG2 4.14Å; I325-V342 HydrophobicContact CD1-CG2 3.74Å; I325-V342 HydrophobicContact CG1-CG2 4.39Å; I325-I348 PolarHBondContact N-O 3.34Å; I325-L349 HydrophobicContact CB-CD1 4.18Å; I325-L349 HydrophobicContact CG2-CD1 3.91Å; I325-L349 WeakPolarHBondContact O-CA 3.4Å; I325-L350 PolarHBondContact O-N 3.02Å
326	V	90.9	Very high	84.5	Confident	34 Å²	34	61.6 Å²	61.6	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131	178.1	174.5	0	0	0	0	110.8	L308 E312 H328 L350	L308-V326 HydrophobicContact CD1-CG1 4.3Å; L308-V326 HydrophobicContact CD2-CG1 3.94Å; L308-V326 HydrophobicContact CD2-CG2 4.36Å; E312-V326 HydrophobicContact CG-CG2 4.36Å; V326-H328 HydrophobicContact CG1-CB 3.86Å; V326-L350 HydrophobicContact CG2-CD1 4.36Å
327	F	89.5	Confident	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	63.9	174.7	-166.5	-89.2	0	0	0	109	R335 L339 L349 L350 T351 T355 L363	F327-R335 HydrophobicContact CD2-CB 3.85Å; F327-R335 WeakPolarHBondContact CD2-O 3.38Å; F327-R335 HydrophobicContact CE2-CB 3.58Å; F327-R335 VanDerWaalsContact CE2-O 3.25Å; F327-R335 WeakPolarHBondContact CE2-O 3.23Å; F327-R335 HydrophobicContact CG-CB 4.45Å; F327-R335 HydrophobicContact CZ-CB 3.94Å; F327-L339 HydrophobicContact CD2-CB 4.24Å; F327-L339 HydrophobicContact CE2-CB 3.84Å; F327-L339 HydrophobicContact CE2-CD2 4.11Å; F327-L339 HydrophobicContact CZ-CD2 4.49Å; F327-L349 HydrophobicContact CB-CD1 3.94Å; F327-L349 HydrophobicContact CB-CD2 3.93Å; F327-L349 HydrophobicContact CB-CG 3.81Å; F327-L349 HydrophobicContact CD2-CD1 4.39Å; F327-L349 HydrophobicContact CD2-CD2 3.94Å; F327-L349 HydrophobicContact CG-CD2 4.03Å; F327-L349 HydrophobicContact CG-CG 4.45Å; F327-L350 PolarHBondContact N-O 2.94Å; F327-T351 PolarHBondContact O-OG1 2.94Å; F327-T355 HydrophobicContact CD1-CG2 3.68Å; F327-T355 HydrophobicContact CE1-CG2 3.78Å; F327-T355 WeakPolarHBondContact O-CG2 3.39Å; F327-L363 HydrophobicContact CD1-CD2 4.42Å; F327-L363 HydrophobicContact CE1-CD1 4.31Å; F327-L363 HydrophobicContact CE1-CD2 4.13Å; F327-L363 HydrophobicContact CE1-CG 4.3Å; F327-L363 HydrophobicContact CE2-CD2 4.39Å; F327-L363 HydrophobicContact CZ-CD2 4.11Å; F327-L363 HydrophobicContact CZ-CG 4.38Å
328	H	84.2	Confident	83.9	Confident	16 Å²	16	55.7 Å²	55.7	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-146.8	159.2	177.7	-155.1	37.3	0	0	0	109	L308 V326 N330 T352 T355	L308-H328 HydrophobicContact CD1-CB 3.82Å; V326-H328 HydrophobicContact CG1-CB 3.86Å; H328-N330 PolarHBondContact O-N 3.15Å; H328-N330 PolarHBondContact O-ND2 3.37Å; H328-T352 PolarHBondContact CE1-OG1 3.31Å; H328-T352 PolarHBondContact ND1-OG1 2.96Å; H328-T355 PolarHBondContact CE1-OG1 3.15Å; H328-T355 PolarHBondContact ND1-OG1 2.92Å
329	D	71.8	Confident	83.8	Confident	116 Å²	116	53 Å²	53	62%	0.62	30%	0.298	S	S	*	.	S	Bend	trans	53.6	-19.7	170.7	-46.5	-29.3	0	0	0	119.7
330	N	70.2	Confident	83.6	Confident	87 Å²	87	53.5 Å²	53.5	47%	0.465	30%	0.301	S	S	.	.	S	Bend	trans	-79.2	161.2	-179.5	-69.8	-83.6	0	0	0	111.8	H328 D334 R335	H328-N330 PolarHBondContact O-N 3.15Å; H328-N330 PolarHBondContact O-ND2 3.37Å; N330-D334 HydrophobicContact CB-CB 4.12Å; N330-R335 HydrophobicContact CB-CG 4.17Å; N330-R335 WeakPolarHBondContact O-CG 3.46Å; N330-R335 PolarHBondContact O-NH1 3.39Å
331	S	78.7	Confident	83.5	Confident	60 Å²	60	50.2 Å²	50.2	42%	0.42	28%	0.281	S	S	.	.			trans	-54	150.2	176.5	93.8	0	0	0	0	111.5	A333 D334 R335	S331-A333 PolarHBondContact O-N 3.15Å; S331-A333 VanDerWaalsContact O-N 3.14Å; S331-A333 PolarHBondContact OG-N 2.72Å; S331-D334 WeakPolarHBondContact CB-OD2 3.29Å; S331-D334 PolarHBondContact O-N 3.23Å; S331-D334 PolarHBondContact OG-N 2.68Å; S331-D334 PolarHBondContact OG-OD2 3.09Å; S331-R335 WeakPolarHBondContact O-CG 3.26Å; S331-R335 PolarHBondContact O-N 2.96Å
332	R	78.2	Confident	83.6	Confident	106 Å²	106	46.4 Å²	46.4	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-52.5	-38.5	176.9	179.2	178.9	167.2	74.8	10.3	111.7	D334 L336 D362 Y377	R332-D334 PolarHBondContact O-N 2.81Å; R332-L336 HydrophobicContact CG-CD1 3.97Å; R332-L336 HydrophobicContact CG-CG 4.47Å; R332-L336 WeakPolarHBondContact O-CB 3.42Å; R332-L336 VanDerWaalsContact O-CG 3.23Å; R332-L336 WeakPolarHBondContact O-CG 3.32Å; R332-L336 PolarHBondContact O-N 2.97Å; R332-D362 IonicContact CZ-OD1 3.19Å; R332-D362 VanDerWaalsContact CZ-OD1 3.3Å; R332-D362 IonicContact CZ-OD2 3.24Å; R332-D362 VanDerWaalsContact NH1-CG 3.27Å; R332-D362 IonicContact NH1-OD1 2.72Å; R332-D362 PolarHBondContact NH1-OD1 3.02Å; R332-D362 IonicContact NH1-OD2 3.97Å; R332-D362 PolarHBondContact NH1-OD2 2.98Å; R332-D362 IonicContact NH2-OD1 2.82Å; R332-D362 PolarHBondContact NH2-OD1 3.01Å; R332-D362 IonicContact NH2-OD2 2.63Å; R332-Y377 WeakPolarHBondContact CD-OH 3.49Å; R332-Y377 PolarHBondContact NE-OH 3.4Å
333	A	75.5	Confident	83.7	Confident	37 Å²	37	46 Å²	46	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-37.9	177.8	0	0	0	0	0	112.6	S331 K337 Y377	S331-A333 PolarHBondContact O-N 3.15Å; S331-A333 VanDerWaalsContact O-N 3.14Å; S331-A333 PolarHBondContact OG-N 2.72Å; A333-K337 VanDerWaalsContact O-CG 3.26Å; A333-K337 WeakPolarHBondContact O-CG 3.42Å; A333-K337 PolarHBondContact O-N 3.19Å; A333-Y377 HydrophobicContact CB-CE1 4.42Å
334	D	81.1	Confident	83.3	Confident	62 Å²	62	50 Å²	50	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-76.5	-39.2	178.7	-61.9	-58.1	0	0	0	112.1	N330 S331 R332 L336 K337 S338	N330-D334 HydrophobicContact CB-CB 4.12Å; S331-D334 WeakPolarHBondContact CB-OD2 3.29Å; S331-D334 PolarHBondContact O-N 3.23Å; S331-D334 PolarHBondContact OG-N 2.68Å; S331-D334 PolarHBondContact OG-OD2 3.09Å; R332-D334 PolarHBondContact O-N 2.81Å; D334-L336 VanDerWaalsContact C-N 3.3Å; D334-L336 PolarHBondContact O-N 3.01Å; D334-K337 PolarHBondContact O-N 3.29Å; D334-K337 WeakPolarHBondContact OD1-CE 3.5Å; D334-K337 IonicContact OD1-NZ 3.24Å; D334-K337 PolarHBondContact OD1-NZ 3.23Å; D334-S338 WeakPolarHBondContact O-CB 3.44Å; D334-S338 PolarHBondContact O-N 3.15Å; D334-S338 PolarHBondContact O-OG 3.36Å
335	R	84.2	Confident	82.9	Confident	46 Å²	46	53.9 Å²	53.9	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-43.6	170.3	-63.4	-157.4	-48.7	-96.6	13.9	111.4	F327 N330 S331 S338 L339 S359	F327-R335 HydrophobicContact CD2-CB 3.85Å; F327-R335 WeakPolarHBondContact CD2-O 3.38Å; F327-R335 HydrophobicContact CE2-CB 3.58Å; F327-R335 VanDerWaalsContact CE2-O 3.25Å; F327-R335 WeakPolarHBondContact CE2-O 3.23Å; F327-R335 HydrophobicContact CG-CB 4.45Å; F327-R335 HydrophobicContact CZ-CB 3.94Å; N330-R335 HydrophobicContact CB-CG 4.17Å; N330-R335 WeakPolarHBondContact O-CG 3.46Å; N330-R335 PolarHBondContact O-NH1 3.39Å; S331-R335 WeakPolarHBondContact O-CG 3.26Å; S331-R335 PolarHBondContact O-N 2.96Å; R335-S338 WeakPolarHBondContact O-CB 3.39Å; R335-S338 PolarHBondContact O-N 3.49Å; R335-L339 WeakPolarHBondContact O-CB 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å; R335-S359 PolarHBondContact NH2-OG 3.05Å
336	L	83.3	Confident	82.7	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-42.3	175.8	-71.5	168.7	0	0	0	112.8	R332 D334 S338 L339 V340 D362 L367 Y377	R332-L336 HydrophobicContact CG-CD1 3.97Å; R332-L336 HydrophobicContact CG-CG 4.47Å; R332-L336 WeakPolarHBondContact O-CB 3.42Å; R332-L336 VanDerWaalsContact O-CG 3.23Å; R332-L336 WeakPolarHBondContact O-CG 3.32Å; R332-L336 PolarHBondContact O-N 2.97Å; D334-L336 VanDerWaalsContact C-N 3.3Å; D334-L336 PolarHBondContact O-N 3.01Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.19Å; L336-L339 PolarHBondContact O-N 2.94Å; L336-V340 WeakPolarHBondContact O-CB 3.33Å; L336-V340 WeakPolarHBondContact O-CG2 3.38Å; L336-V340 PolarHBondContact O-N 3.49Å; L336-D362 HydrophobicContact CD2-CB 3.91Å; L336-L367 HydrophobicContact CD2-CD1 3.6Å; L336-Y377 HydrophobicContact CD1-CD2 4.37Å; L336-Y377 HydrophobicContact CD1-CE1 3.97Å; L336-Y377 HydrophobicContact CD1-CE2 3.58Å; L336-Y377 WeakPolarHBondContact CD1-OH 3.34Å
337	K	82.6	Confident	82.6	Confident	130 Å²	130	51 Å²	51	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-56	-46.1	172.8	-70.1	164.6	-152.3	167.9	0	111.2	A333 D334 S341	A333-K337 VanDerWaalsContact O-CG 3.26Å; A333-K337 WeakPolarHBondContact O-CG 3.42Å; A333-K337 PolarHBondContact O-N 3.19Å; D334-K337 PolarHBondContact O-N 3.29Å; D334-K337 WeakPolarHBondContact OD1-CE 3.5Å; D334-K337 IonicContact OD1-NZ 3.24Å; D334-K337 PolarHBondContact OD1-NZ 3.23Å; K337-S341 WeakPolarHBondContact O-CB 3.43Å; K337-S341 PolarHBondContact O-N 2.83Å; K337-S341 VanDerWaalsContact O-N 3.12Å
338	S	85	Confident	82.8	Confident	34 Å²	34	51 Å²	51	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-50.1	176.6	-81.1	0	0	0	0	112.2	I325 D334 R335 L336 S341 V342	I325-S338 WeakPolarHBondContact CG2-OG 3.47Å; D334-S338 WeakPolarHBondContact O-CB 3.44Å; D334-S338 PolarHBondContact O-N 3.15Å; D334-S338 PolarHBondContact O-OG 3.36Å; R335-S338 WeakPolarHBondContact O-CB 3.39Å; R335-S338 PolarHBondContact O-N 3.49Å; L336-S338 VanDerWaalsContact C-N 3.3Å; L336-S338 PolarHBondContact O-N 3.19Å; S338-S341 WeakPolarHBondContact O-CB 3.19Å; S338-S341 PolarHBondContact O-N 2.92Å; S338-V342 PolarHBondContact O-N 3.41Å
339	L	86	Confident	83.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-51.5	179.4	174.7	59.1	0	0	0	112.4	F327 R335 L336 S341 V342 Q343 L349 D362 L363 L367 W400	F327-L339 HydrophobicContact CD2-CB 4.24Å; F327-L339 HydrophobicContact CE2-CB 3.84Å; F327-L339 HydrophobicContact CE2-CD2 4.11Å; F327-L339 HydrophobicContact CZ-CD2 4.49Å; R335-L339 WeakPolarHBondContact O-CB 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å; L336-L339 PolarHBondContact O-N 2.94Å; L339-S341 PolarHBondContact O-N 3.35Å; L339-S341 VanDerWaalsContact O-N 3.15Å; L339-V342 PolarHBondContact O-N 3.11Å; L339-Q343 HydrophobicContact CD1-CG 3.93Å; L339-Q343 HydrophobicContact CG-CG 4.33Å; L339-Q343 WeakPolarHBondContact O-CG 3.18Å; L339-Q343 PolarHBondContact O-N 2.96Å; L339-L349 HydrophobicContact CD1-CD2 3.89Å; L339-D362 HydrophobicContact CD2-CB 4.06Å; L339-D362 WeakPolarHBondContact CD2-O 3.41Å; L339-L363 HydrophobicContact CD1-CD2 4.11Å; L339-L363 HydrophobicContact CD2-CD2 4.16Å; L339-L367 HydrophobicContact CD2-CD1 3.75Å; L339-L367 HydrophobicContact CG-CD1 4.06Å; L339-W400 HydrophobicContact CD1-CH2 3.9Å; L339-W400 HydrophobicContact CD1-CZ2 3.83Å
340	V	84.5	Confident	84.4	Confident	18 Å²	18	44.8 Å²	44.8	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-51.2	-40.7	174.7	169.1	0	0	0	0	110.8	L336 R344 L367 N368 L374	L336-V340 WeakPolarHBondContact O-CB 3.33Å; L336-V340 WeakPolarHBondContact O-CG2 3.38Å; L336-V340 PolarHBondContact O-N 3.49Å; V340-R344 WeakPolarHBondContact O-CB 3.41Å; V340-R344 PolarHBondContact O-N 2.9Å; V340-L367 HydrophobicContact CG2-CB 3.64Å; V340-L367 HydrophobicContact CG2-CD1 3.8Å; V340-L367 HydrophobicContact CG2-CG 4.38Å; V340-N368 PolarHBondContact O-ND2 3.22Å; V340-L374 HydrophobicContact CG1-CD1 4.15Å; V340-L374 HydrophobicContact CG1-CD2 4.31Å; V340-L374 HydrophobicContact CG2-CD2 4.01Å
341	S	84.3	Confident	85.5	Confident	39 Å²	39	40.6 Å²	40.6	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-72.5	-32.5	-179	-156	0	0	0	0	113.6	R323 K337 S338 L339 H345	R323-S341 PolarHBondContact NH1-O 2.92Å; R323-S341 PolarHBondContact NH2-O 2.7Å; R323-S341 PolarHBondContact NH2-OG 2.69Å; K337-S341 WeakPolarHBondContact O-CB 3.43Å; K337-S341 PolarHBondContact O-N 2.83Å; K337-S341 VanDerWaalsContact O-N 3.12Å; S338-S341 WeakPolarHBondContact O-CB 3.19Å; S338-S341 PolarHBondContact O-N 2.92Å; L339-S341 PolarHBondContact O-N 3.35Å; L339-S341 VanDerWaalsContact O-N 3.15Å; S341-H345 PolarHBondContact O-CD2 3.04Å; S341-H345 PolarHBondContact O-N 2.71Å
342	V	87.1	Confident	86.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.3	-49.9	170.4	174.3	0	0	0	0	110.5	I325 S338 L339 R344 H345 G346 L349 W400	I325-V342 HydrophobicContact CB-CG2 4.14Å; I325-V342 HydrophobicContact CD1-CG2 3.74Å; I325-V342 HydrophobicContact CG1-CG2 4.39Å; S338-V342 PolarHBondContact O-N 3.41Å; L339-V342 PolarHBondContact O-N 3.11Å; V342-R344 PolarHBondContact O-N 2.82Å; V342-R344 VanDerWaalsContact O-N 3.14Å; V342-H345 PolarHBondContact O-N 3.24Å; V342-G346 WeakPolarHBondContact O-CA 3.33Å; V342-G346 PolarHBondContact O-N 3.02Å; V342-L349 HydrophobicContact CG2-CD1 3.91Å; V342-W400 HydrophobicContact CG1-CZ3 4.28Å
343	Q	86.6	Confident	86.8	Confident	16 Å²	16	33.7 Å²	33.7	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-52.9	-37.3	178.6	-70.6	-177.1	-26.1	0	0	112.5	L339 T365 L367 N368 F398	L339-Q343 HydrophobicContact CD1-CG 3.93Å; L339-Q343 HydrophobicContact CG-CG 4.33Å; L339-Q343 WeakPolarHBondContact O-CG 3.18Å; L339-Q343 PolarHBondContact O-N 2.96Å; Q343-T365 PolarHBondContact NE2-O 3Å; Q343-L367 VanDerWaalsContact OE1-N 3.09Å; Q343-N368 WeakPolarHBondContact CB-ND2 3.29Å; Q343-F398 HydrophobicContact CB-CD2 4.19Å; Q343-F398 HydrophobicContact CB-CE2 3.63Å; Q343-F398 HydrophobicContact CB-CZ 3.97Å; Q343-F398 HydrophobicContact CG-CD1 4.22Å; Q343-F398 HydrophobicContact CG-CD2 3.74Å; Q343-F398 HydrophobicContact CG-CE1 4.02Å; Q343-F398 HydrophobicContact CG-CE2 3.52Å; Q343-F398 HydrophobicContact CG-CG 4.1Å; Q343-F398 HydrophobicContact CG-CZ 3.68Å
344	R	83.1	Confident	87.5	Confident	173 Å²	173	34.3 Å²	34.3	65%	0.653	18%	0.175	S	C	*	.	H	α-helix	trans	-80.7	-30.1	-177.8	-175.1	171.9	179.5	163.2	2.8	115.6	V340 V342	V340-R344 WeakPolarHBondContact O-CB 3.41Å; V340-R344 PolarHBondContact O-N 2.9Å; V342-R344 PolarHBondContact O-N 2.82Å; V342-R344 VanDerWaalsContact O-N 3.14Å
345	H	82.8	Confident	87.8	Confident	118 Å²	118	32 Å²	32	55%	0.546	16%	0.163	S	C	.	.	H	α-helix	trans	-125.3	-2.7	-167.3	-63.2	-71.3	0	0	0	114.3	S341 V342	S341-H345 PolarHBondContact O-CD2 3.04Å; S341-H345 PolarHBondContact O-N 2.71Å; V342-H345 PolarHBondContact O-N 3.24Å
346	G	86	Confident	88.2	Confident	5 Å²	5	29.8 Å²	29.8	5%	0.052	16%	0.155	C	C	.	.			trans	78	172	-167.9	0	0	0	0	0	113.2	C297 R323 V342	C297-G346 VanDerWaalsContact O-CA 3.22Å; C297-G346 WeakPolarHBondContact O-CA 3.36Å; R323-G346 PolarHBondContact NH1-O 3.28Å; V342-G346 WeakPolarHBondContact O-CA 3.33Å; V342-G346 PolarHBondContact O-N 3.02Å
347	G	90.5	Very high	88.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-174.3	179	0	0	0	0	0	113.7	C297 V299 R323	C297-G347 PolarHBondContact O-N 3.22Å; V299-G347 PolarHBondContact N-O 2.69Å; R323-G347 WeakPolarHBondContact O-CA 3.45Å
348	I	93.8	Very high	88.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.4	-177.9	-57.9	172.8	0	0	0	108.7	L286 F290 V299 I301 L315 L322 R323 V324 I325 L350	L286-I348 HydrophobicContact CD1-CD1 3.97Å; F290-I348 HydrophobicContact CE2-CD1 4.23Å; F290-I348 HydrophobicContact CE2-CG1 3.89Å; F290-I348 HydrophobicContact CZ-CG1 4.24Å; V299-I348 HydrophobicContact CB-CB 4.47Å; V299-I348 HydrophobicContact CB-CG1 4.06Å; V299-I348 HydrophobicContact CB-CG2 4.49Å; V299-I348 HydrophobicContact CG2-CG1 4.29Å; V299-I348 CarbonylContact O-C 3.54Å; V299-I348 WeakPolarHBondContact O-CA 3.38Å; I301-I348 HydrophobicContact CD1-CG2 3.61Å; I301-I348 HydrophobicContact CG1-CG2 3.88Å; L315-I348 HydrophobicContact CD1-CG2 4.41Å; L315-I348 HydrophobicContact CD2-CD1 3.83Å; L322-I348 HydrophobicContact CB-CD1 4.26Å; L322-I348 HydrophobicContact CD1-CD1 3.94Å; R323-I348 PolarHBondContact O-N 3.27Å; V324-I348 WeakPolarHBondContact CA-O 3.45Å; V324-I348 HydrophobicContact CG2-CB 4.36Å; V324-I348 HydrophobicContact CG2-CD1 4.38Å; I325-I348 PolarHBondContact N-O 3.34Å; I348-L350 HydrophobicContact CG2-CD2 3.75Å
349	L	94.4	Very high	88.8	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.5	171	-162.2	75.2	0	0	0	109.5	V299 L300 I301 I325 F327 L339 V342 L363 W400	V299-L349 PolarHBondContact O-N 3.3Å; L300-L349 HydrophobicContact CD1-CB 4.12Å; L300-L349 HydrophobicContact CD1-CD2 4.03Å; L300-L349 HydrophobicContact CD1-CG 4.39Å; I301-L349 PolarHBondContact N-O 3.16Å; I325-L349 HydrophobicContact CB-CD1 4.18Å; I325-L349 HydrophobicContact CG2-CD1 3.91Å; I325-L349 WeakPolarHBondContact O-CA 3.4Å; F327-L349 HydrophobicContact CB-CD1 3.94Å; F327-L349 HydrophobicContact CB-CD2 3.93Å; F327-L349 HydrophobicContact CB-CG 3.81Å; F327-L349 HydrophobicContact CD2-CD1 4.39Å; F327-L349 HydrophobicContact CD2-CD2 3.94Å; F327-L349 HydrophobicContact CG-CD2 4.03Å; F327-L349 HydrophobicContact CG-CG 4.45Å; L339-L349 HydrophobicContact CD1-CD2 3.89Å; V342-L349 HydrophobicContact CG2-CD1 3.91Å; L349-L363 HydrophobicContact CD2-CD2 3.84Å; L349-W400 HydrophobicContact CB-CH2 4.06Å; L349-W400 HydrophobicContact CB-CZ3 4.24Å; L349-W400 HydrophobicContact CD2-CH2 3.81Å; L349-W400 HydrophobicContact CD2-CZ2 4.44Å
350	L	94.8	Very high	88.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.5	174.7	-52.7	-176.2	0	0	0	109.4	I301 M303 W311 E312 L315 V324 I325 V326 F327 I348	I301-L350 HydrophobicContact CB-CD2 3.93Å; I301-L350 HydrophobicContact CD1-CD2 3.93Å; I301-L350 HydrophobicContact CG1-CD2 4.18Å; M303-L350 HydrophobicContact CE-CB 3.88Å; M303-L350 HydrophobicContact CE-CD2 4.06Å; M303-L350 HydrophobicContact CE-CG 4.5Å; W311-L350 HydrophobicContact CB-CD1 4.38Å; E312-L350 HydrophobicContact CB-CD1 4Å; L315-L350 HydrophobicContact CD1-CD1 4.18Å; L315-L350 HydrophobicContact CD1-CD2 3.78Å; L315-L350 HydrophobicContact CD1-CG 4.49Å; V324-L350 HydrophobicContact CG1-CD1 3.6Å; V324-L350 HydrophobicContact CG1-CD2 4.35Å; V324-L350 HydrophobicContact CG1-CG 3.76Å; I325-L350 PolarHBondContact O-N 3.02Å; V326-L350 HydrophobicContact CG2-CD1 4.36Å; F327-L350 PolarHBondContact N-O 2.94Å; I348-L350 HydrophobicContact CG2-CD2 3.75Å
351	T	93.8	Very high	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	168.9	176.7	-166.8	0	0	0	0	111.4	L300 I301 V302 M303 F327	L300-T351 HydrophobicContact CD1-CG2 3.68Å; L300-T351 HydrophobicContact CG-CG2 4.37Å; I301-T351 PolarHBondContact O-N 3.29Å; V302-T351 WeakPolarHBondContact CA-O 3.5Å; V302-T351 HydrophobicContact CB-CG2 4.35Å; V302-T351 HydrophobicContact CG1-CG2 4.33Å; V302-T351 HydrophobicContact CG2-CG2 3.85Å; M303-T351 WeakPolarHBondContact CE-O 3.44Å; M303-T351 PolarHBondContact N-O 3.08Å; M303-T351 VanDerWaalsContact N-O 3.09Å; F327-T351 PolarHBondContact O-OG1 2.94Å
352	T	92.5	Very high	88.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.8	178	72.9	0	0	0	0	111.6	M303 V305 L308 H328 G354 T355 L356	M303-T352 VanDerWaalsContact O-CA 3.25Å; M303-T352 WeakPolarHBondContact O-CA 3.1Å; V305-T352 HydrophobicContact CB-CG2 4.37Å; V305-T352 HydrophobicContact CG2-CG2 3.93Å; L308-T352 HydrophobicContact CD1-CG2 3.55Å; H328-T352 PolarHBondContact CE1-OG1 3.31Å; H328-T352 PolarHBondContact ND1-OG1 2.96Å; T352-G354 PolarHBondContact O-N 3.11Å; T352-G354 VanDerWaalsContact O-N 3.15Å; T352-T355 PolarHBondContact O-N 3.31Å; T352-T355 VanDerWaalsContact O-N 3.1Å; T352-T355 PolarHBondContact OG1-N 3.06Å; T352-T355 PolarHBondContact OG1-OG1 3.03Å; T352-T355 VanDerWaalsContact OG1-OG1 3.13Å; T352-L356 WeakPolarHBondContact O-CB 3.33Å; T352-L356 PolarHBondContact O-N 2.89Å
353	Y	91	Very high	88.7	Confident	19 Å²	19	34.6 Å²	34.6	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-54.6	-32.5	176.5	-73.8	-70.4	0	0	0	113.7	V302 M303 V357 L405 D406 K410 V411 T418	V302-Y353 HydrophobicContact CB-CE1 4.39Å; V302-Y353 HydrophobicContact CG1-CD1 3.5Å; V302-Y353 VanDerWaalsContact CG1-CD1 3.5Å; V302-Y353 HydrophobicContact CG1-CD2 4.31Å; V302-Y353 HydrophobicContact CG1-CE1 3.71Å; V302-Y353 HydrophobicContact CG1-CE2 4.47Å; V302-Y353 HydrophobicContact CG1-CG 3.84Å; M303-Y353 WeakPolarHBondContact O-CD2 3.43Å; M303-Y353 PolarHBondContact O-N 3.35Å; Y353-V357 WeakPolarHBondContact O-CG2 3.44Å; Y353-V357 PolarHBondContact O-N 3.06Å; Y353-L405 HydrophobicContact CE1-CD2 4.45Å; Y353-D406 VanDerWaalsContact CE2-O 3.26Å; Y353-D406 WeakPolarHBondContact CE2-O 3.22Å; Y353-D406 PolarHBondContact OH-O 3.24Å; Y353-K410 HydrophobicContact CD2-CB 4.26Å; Y353-K410 HydrophobicContact CD2-CG 4.17Å; Y353-K410 HydrophobicContact CE1-CB 4.34Å; Y353-K410 HydrophobicContact CE2-CB 3.92Å; Y353-K410 HydrophobicContact CE2-CG 3.89Å; Y353-V411 HydrophobicContact CE1-CG1 4.01Å; Y353-T418 HydrophobicContact CD1-CG2 3.36Å; Y353-T418 HydrophobicContact CE1-CG2 4.18Å; Y353-T418 HydrophobicContact CG-CG2 3.94Å
354	G	89	Confident	88.6	Confident	51 Å²	51	35.1 Å²	35.1	53%	0.526	18%	0.182	S	C	.	.	H	α-helix	trans	-72.6	-44.7	175.1	0	0	0	0	0	112.9	T352 L356 V357 S358	T352-G354 PolarHBondContact O-N 3.11Å; T352-G354 VanDerWaalsContact O-N 3.15Å; G354-L356 VanDerWaalsContact C-N 3.32Å; G354-L356 PolarHBondContact O-N 3.24Å; G354-V357 PolarHBondContact O-N 2.98Å; G354-S358 PolarHBondContact O-N 2.91Å; G354-S358 PolarHBondContact O-OG 3.49Å
355	T	89.3	Confident	88.5	Confident	13 Å²	13	29 Å²	29	8%	0.08	16%	0.164	C	C	.	.	H	α-helix	trans	-69	-30.7	177.2	-52.9	0	0	0	0	112.4	F327 H328 T352 S358 S359	F327-T355 HydrophobicContact CD1-CG2 3.68Å; F327-T355 HydrophobicContact CE1-CG2 3.78Å; F327-T355 WeakPolarHBondContact O-CG2 3.39Å; H328-T355 PolarHBondContact CE1-OG1 3.15Å; H328-T355 PolarHBondContact ND1-OG1 2.92Å; T352-T355 PolarHBondContact O-N 3.31Å; T352-T355 VanDerWaalsContact O-N 3.1Å; T352-T355 PolarHBondContact OG1-N 3.06Å; T352-T355 PolarHBondContact OG1-OG1 3.03Å; T352-T355 VanDerWaalsContact OG1-OG1 3.13Å; T355-S358 PolarHBondContact O-OG 3.39Å; T355-S359 WeakPolarHBondContact O-CB 3.2Å; T355-S359 PolarHBondContact O-N 3.35Å; T355-S359 PolarHBondContact O-OG 3.22Å; T355-S359 VanDerWaalsContact O-OG 3.05Å
356	L	91.1	Very high	88.4	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-54.2	170.4	171.2	58.8	0	0	0	111.4	V302 T352 G354 S358 S359 I360 L363 A421 A422 I425	V302-L356 HydrophobicContact CG1-CB 4.44Å; V302-L356 HydrophobicContact CG1-CD2 3.98Å; V302-L356 HydrophobicContact CG2-CD2 4.22Å; T352-L356 WeakPolarHBondContact O-CB 3.33Å; T352-L356 PolarHBondContact O-N 2.89Å; G354-L356 VanDerWaalsContact C-N 3.32Å; G354-L356 PolarHBondContact O-N 3.24Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 2.91Å; L356-S359 PolarHBondContact O-N 2.88Å; L356-I360 HydrophobicContact CD1-CD1 3.96Å; L356-I360 WeakPolarHBondContact O-CA 3.34Å; L356-I360 WeakPolarHBondContact O-CB 3.49Å; L356-I360 PolarHBondContact O-N 3.14Å; L356-L363 HydrophobicContact CD1-CD1 3.87Å; L356-A421 HydrophobicContact CD2-CB 4.45Å; L356-A421 HydrophobicContact CG-CB 4.1Å; L356-A422 HydrophobicContact CD2-CB 4.48Å; L356-I425 HydrophobicContact CD1-CD1 3.5Å; L356-I425 HydrophobicContact CD1-CG1 4.22Å; L356-I425 HydrophobicContact CD2-CD1 4.23Å
357	V	89.6	Confident	87.9	Confident	48 Å²	48	25 Å²	25	29%	0.291	15%	0.145	S	C	.	.	H	α-helix	trans	-62.3	-37.5	-177.6	173.2	0	0	0	0	111.8	Y353 G354 K417 A421	Y353-V357 WeakPolarHBondContact O-CG2 3.44Å; Y353-V357 PolarHBondContact O-N 3.06Å; G354-V357 PolarHBondContact O-N 2.98Å; V357-K417 HydrophobicContact CG1-CB 4.19Å; V357-A421 HydrophobicContact CG2-CB 3.92Å
358	S	87.7	Confident	87.2	Confident	86 Å²	86	27.2 Å²	27.2	60%	0.601	16%	0.157	S	C	*	.	H	α-helix	trans	-80.8	-23.3	179.7	61.5	0	0	0	0	114.7	G354 T355 L356	G354-S358 PolarHBondContact O-N 2.91Å; G354-S358 PolarHBondContact O-OG 3.49Å; T355-S358 PolarHBondContact O-OG 3.39Å; L356-S358 VanDerWaalsContact C-N 3.3Å; L356-S358 PolarHBondContact O-N 2.91Å
359	S	86.2	Confident	86	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-117.7	15.2	-174.6	-43.8	0	0	0	0	113.4	R335 T355 L356 R361 D362 L363	R335-S359 PolarHBondContact NH2-OG 3.05Å; T355-S359 WeakPolarHBondContact O-CB 3.2Å; T355-S359 PolarHBondContact O-N 3.35Å; T355-S359 PolarHBondContact O-OG 3.22Å; T355-S359 VanDerWaalsContact O-OG 3.05Å; L356-S359 PolarHBondContact O-N 2.88Å; S359-R361 VanDerWaalsContact C-N 3.27Å; S359-R361 PolarHBondContact O-N 3.47Å; S359-D362 WeakPolarHBondContact O-CB 3.28Å; S359-D362 PolarHBondContact O-N 3.17Å; S359-L363 PolarHBondContact O-N 3.49Å; S359-L363 VanDerWaalsContact O-N 3.11Å
360	I	86.3	Confident	84.4	Confident	23 Å²	23	32.7 Å²	32.7	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-54.7	-39.7	-176.9	-175.6	59.6	0	0	0	112.9	L356 D362 L363 S364 A421 A424 I425	L356-I360 HydrophobicContact CD1-CD1 3.96Å; L356-I360 WeakPolarHBondContact O-CA 3.34Å; L356-I360 WeakPolarHBondContact O-CB 3.49Å; L356-I360 PolarHBondContact O-N 3.14Å; I360-D362 PolarHBondContact O-N 2.97Å; I360-L363 PolarHBondContact O-N 3.38Å; I360-S364 PolarHBondContact O-N 2.97Å; I360-S364 PolarHBondContact O-OG 3.12Å; I360-A421 VanDerWaalsContact CD1-O 3.32Å; I360-A421 WeakPolarHBondContact CD1-O 3.46Å; I360-A424 HydrophobicContact CD1-CB 4.22Å; I360-A424 HydrophobicContact CG1-CB 4.28Å; I360-I425 HydrophobicContact CD1-CG1 3.87Å
361	R	82.4	Confident	82.6	Confident	161 Å²	161	37.4 Å²	37.4	61%	0.608	22%	0.224	S	C	*	.	H	α-helix	trans	-59.8	-34.1	176.3	-67.2	-178.2	179.3	168.8	-1.2	112.4	S359 T365 T1065	S359-R361 VanDerWaalsContact C-N 3.27Å; S359-R361 PolarHBondContact O-N 3.47Å; R361-T365 WeakPolarHBondContact O-CB 3.48Å; R361-T365 PolarHBondContact O-OG1 3.1Å; R361-T1065 PolarHBondContact NH2-OG1 3.35Å
362	D	84.3	Confident	80.8	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.059	25%	0.251	C	S	.	.	H	α-helix	trans	-75.7	-46.2	177.1	-50.5	-34.2	0	0	0	110.6	R332 L336 L339 S359 I360 S364 T365	R332-D362 IonicContact CZ-OD1 3.19Å; R332-D362 VanDerWaalsContact CZ-OD1 3.3Å; R332-D362 IonicContact CZ-OD2 3.24Å; R332-D362 VanDerWaalsContact NH1-CG 3.27Å; R332-D362 IonicContact NH1-OD1 2.72Å; R332-D362 PolarHBondContact NH1-OD1 3.02Å; R332-D362 IonicContact NH1-OD2 3.97Å; R332-D362 PolarHBondContact NH1-OD2 2.98Å; R332-D362 IonicContact NH2-OD1 2.82Å; R332-D362 PolarHBondContact NH2-OD1 3.01Å; R332-D362 IonicContact NH2-OD2 2.63Å; L336-D362 HydrophobicContact CD2-CB 3.91Å; L339-D362 HydrophobicContact CD2-CB 4.06Å; L339-D362 WeakPolarHBondContact CD2-O 3.41Å; S359-D362 WeakPolarHBondContact O-CB 3.28Å; S359-D362 PolarHBondContact O-N 3.17Å; I360-D362 PolarHBondContact O-N 2.97Å; D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.42Å; D362-T365 PolarHBondContact O-N 3.29Å
363	L	86.5	Confident	79	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-25.4	-173.8	-68	167.9	0	0	0	113.9	L300 F327 L339 L349 L356 S359 I360 W400	L300-L363 HydrophobicContact CD1-CD2 4.44Å; F327-L363 HydrophobicContact CD1-CD2 4.42Å; F327-L363 HydrophobicContact CE1-CD1 4.31Å; F327-L363 HydrophobicContact CE1-CD2 4.13Å; F327-L363 HydrophobicContact CE1-CG 4.3Å; F327-L363 HydrophobicContact CE2-CD2 4.39Å; F327-L363 HydrophobicContact CZ-CD2 4.11Å; F327-L363 HydrophobicContact CZ-CG 4.38Å; L339-L363 HydrophobicContact CD1-CD2 4.11Å; L339-L363 HydrophobicContact CD2-CD2 4.16Å; L349-L363 HydrophobicContact CD2-CD2 3.84Å; L356-L363 HydrophobicContact CD1-CD1 3.87Å; S359-L363 PolarHBondContact O-N 3.49Å; S359-L363 VanDerWaalsContact O-N 3.11Å; I360-L363 PolarHBondContact O-N 3.38Å; L363-W400 HydrophobicContact CD2-CZ2 4.24Å; L363-W400 PolarHBondContact O-NE1 3.12Å
364	S	84.8	Confident	77.2	Confident	26 Å²	26	48.5 Å²	48.5	18%	0.182	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.1	175.3	-60.7	0	0	0	0	114.2	I360 D362 E397 F398 A424	I360-S364 PolarHBondContact O-N 2.97Å; I360-S364 PolarHBondContact O-OG 3.12Å; D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.42Å; S364-E397 WeakPolarHBondContact O-CA 3.5Å; S364-F398 PolarHBondContact O-N 3.22Å; S364-A424 PolarHBondContact OG-O 3.02Å
365	T	81.5	Confident	75.5	Confident	46 Å²	46	55.4 Å²	55.4	28%	0.282	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-104.3	134	-179.3	-55.4	0	0	0	0	111.4	Q343 R361 D362 L367	Q343-T365 PolarHBondContact NE2-O 3Å; R361-T365 WeakPolarHBondContact O-CB 3.48Å; R361-T365 PolarHBondContact O-OG1 3.1Å; D362-T365 PolarHBondContact O-N 3.29Å; T365-L367 HydrophobicContact CG2-CD2 4.03Å; T365-L367 PolarHBondContact O-N 3.41Å; T365-L367 VanDerWaalsContact O-N 3.15Å
366	D	81	Confident	73.7	Confident	34 Å²	34	56.7 Å²	56.7	18%	0.182	30%	0.297	C	S	.	.			trans	-75.4	101.6	171.1	-176.2	-6	0	0	0	110	N368 A369 K396 F398	D366-N368 PolarHBondContact O-N 3.21Å; D366-N368 WeakPolarHBondContact OD1-CA 3.39Å; D366-N368 WeakPolarHBondContact OD1-CB 3.13Å; D366-N368 PolarHBondContact OD1-N 3.26Å; D366-A369 HydrophobicContact CB-CB 3.88Å; D366-A369 WeakPolarHBondContact O-CB 3.49Å; D366-A369 PolarHBondContact O-N 2.95Å; D366-A369 PolarHBondContact OD1-N 2.78Å; D366-A369 VanDerWaalsContact OD1-N 3.16Å; D366-K396 HydrophobicContact CB-CB 4.38Å; D366-K396 VanDerWaalsContact CB-O 3.26Å; D366-K396 WeakPolarHBondContact CB-O 3.32Å; D366-K396 PolarHBondContact N-O 3.26Å; D366-F398 HydrophobicContact CB-CB 4.22Å; D366-F398 HydrophobicContact CB-CD2 4.06Å
367	L	76	Confident	71.8	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.6	-178	-50.6	-177.6	0	0	0	112.7	L336 L339 V340 Q343 T365 F373	L336-L367 HydrophobicContact CD2-CD1 3.6Å; L339-L367 HydrophobicContact CD2-CD1 3.75Å; L339-L367 HydrophobicContact CG-CD1 4.06Å; V340-L367 HydrophobicContact CG2-CB 3.64Å; V340-L367 HydrophobicContact CG2-CD1 3.8Å; V340-L367 HydrophobicContact CG2-CG 4.38Å; Q343-L367 VanDerWaalsContact OE1-N 3.09Å; T365-L367 HydrophobicContact CG2-CD2 4.03Å; T365-L367 PolarHBondContact O-N 3.41Å; T365-L367 VanDerWaalsContact O-N 3.15Å; L367-F373 HydrophobicContact CB-CD1 4.29Å; L367-F373 HydrophobicContact CB-CE1 4.21Å; L367-F373 HydrophobicContact CD1-CE1 4.36Å; L367-F373 HydrophobicContact CD2-CD1 4.44Å; L367-F373 HydrophobicContact CD2-CE1 3.82Å; L367-F373 HydrophobicContact CD2-CZ 3.87Å; L367-F373 HydrophobicContact CG-CE1 4.35Å
368	N	74.6	Confident	69.7	Low	47 Å²	47	67.7 Å²	67.7	25%	0.251	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-18.5	173	-66	-90	0	0	0	112.3	V340 Q343 D366 N370	V340-N368 PolarHBondContact O-ND2 3.22Å; Q343-N368 WeakPolarHBondContact CB-ND2 3.29Å; D366-N368 PolarHBondContact O-N 3.21Å; D366-N368 WeakPolarHBondContact OD1-CA 3.39Å; D366-N368 WeakPolarHBondContact OD1-CB 3.13Å; D366-N368 PolarHBondContact OD1-N 3.26Å; N368-N370 PolarHBondContact O-N 3.47Å
369	A	69	Low	67.9	Low	51 Å²	51	72.5 Å²	72.5	42%	0.421	35%	0.349	S	S	.	.	S	Bend	trans	-61.2	-26.4	-178	0	0	0	0	0	114.3	D366 K396	D366-A369 HydrophobicContact CB-CB 3.88Å; D366-A369 WeakPolarHBondContact O-CB 3.49Å; D366-A369 PolarHBondContact O-N 2.95Å; D366-A369 PolarHBondContact OD1-N 2.78Å; D366-A369 VanDerWaalsContact OD1-N 3.16Å; A369-K396 HydrophobicContact CB-CB 4.13Å
370	N	60.4	Low	65.8	Low	64 Å²	64	79.7 Å²	79.7	34%	0.342	38%	0.383	S	S	.	.			trans	-126.4	109.3	170.6	-174.3	-12.5	0	0	0	110.9	N368 E372 F373	N368-N370 PolarHBondContact O-N 3.47Å; N370-E372 PolarHBondContact O-N 2.79Å; N370-E372 VanDerWaalsContact O-N 3.13Å; N370-E372 VanDerWaalsContact OD1-CB 3.29Å; N370-E372 WeakPolarHBondContact OD1-CB 3.36Å; N370-E372 WeakPolarHBondContact OD1-CG 3.14Å; N370-E372 PolarHBondContact OD1-N 2.7Å; N370-F373 VanDerWaalsContact O-CB 3.29Å; N370-F373 WeakPolarHBondContact O-CB 3.34Å; N370-F373 PolarHBondContact O-N 3.41Å
371	P	58.1	Low	63.4	Low	99 Å²	99	88.3 Å²	88.3	64%	0.643	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	180	27.3	-34.4	0	0	0	114.3	F373	P371-F373 VanDerWaalsContact C-N 3.33Å
372	E	55.4	Low	61	Low	120 Å²	120	84.9 Å²	84.9	56%	0.561	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.3	171	-60	-160.3	131	0	0	113.3	N370 L374 R375 S376	N370-E372 PolarHBondContact O-N 2.79Å; N370-E372 VanDerWaalsContact O-N 3.13Å; N370-E372 VanDerWaalsContact OD1-CB 3.29Å; N370-E372 WeakPolarHBondContact OD1-CB 3.36Å; N370-E372 WeakPolarHBondContact OD1-CG 3.14Å; N370-E372 PolarHBondContact OD1-N 2.7Å; E372-L374 PolarHBondContact O-N 3.48Å; E372-R375 WeakPolarHBondContact O-CA 3.08Å; E372-R375 WeakPolarHBondContact O-CB 3.48Å; E372-R375 PolarHBondContact O-N 3.43Å; E372-S376 PolarHBondContact O-N 3.04Å; E372-S376 PolarHBondContact O-OG 2.94Å
373	F	54.9	Low	58.6	Low	56 Å²	56	90.7 Å²	90.7	25%	0.246	46%	0.456	C	S	.	.	H	α-helix	trans	-56.1	-41	179.6	-178.2	-96	0	0	0	111.6	L367 N370 P371 R375 S376 Y377	L367-F373 HydrophobicContact CB-CD1 4.29Å; L367-F373 HydrophobicContact CB-CE1 4.21Å; L367-F373 HydrophobicContact CD1-CE1 4.36Å; L367-F373 HydrophobicContact CD2-CD1 4.44Å; L367-F373 HydrophobicContact CD2-CE1 3.82Å; L367-F373 HydrophobicContact CD2-CZ 3.87Å; L367-F373 HydrophobicContact CG-CE1 4.35Å; N370-F373 VanDerWaalsContact O-CB 3.29Å; N370-F373 WeakPolarHBondContact O-CB 3.34Å; N370-F373 PolarHBondContact O-N 3.41Å; P371-F373 VanDerWaalsContact C-N 3.33Å; F373-R375 VanDerWaalsContact C-N 3.27Å; F373-R375 PolarHBondContact O-N 2.92Å; F373-S376 PolarHBondContact O-OG 3.39Å; F373-S376 VanDerWaalsContact O-OG 3.12Å; F373-Y377 HydrophobicContact CE1-CD2 4.38Å; F373-Y377 HydrophobicContact CZ-CD2 4.1Å; F373-Y377 HydrophobicContact CZ-CE2 4.45Å; F373-Y377 WeakPolarHBondContact O-CB 3.33Å; F373-Y377 PolarHBondContact O-N 3.07Å
374	L	53.3	Low	56	Low	77 Å²	77	97.7 Å²	97.7	40%	0.403	49%	0.494	S	S	.	.	H	α-helix	trans	-74.7	-13	176.4	-64.2	174.7	0	0	0	113.9	V340 E372	V340-L374 HydrophobicContact CG1-CD1 4.15Å; V340-L374 HydrophobicContact CG1-CD2 4.31Å; V340-L374 HydrophobicContact CG2-CD2 4.01Å; E372-L374 PolarHBondContact O-N 3.48Å
375	R	53.4	Low	53.5	Low	195 Å²	195	103.9 Å²	103.9	74%	0.736	53%	0.525	S	S	*	.	H	α-helix	trans	-90.8	-42.1	175.1	-70.9	-179.3	167	-176.9	-3.6	111.8	E372 F373 K378	E372-R375 WeakPolarHBondContact O-CA 3.08Å; E372-R375 WeakPolarHBondContact O-CB 3.48Å; E372-R375 PolarHBondContact O-N 3.43Å; F373-R375 VanDerWaalsContact C-N 3.27Å; F373-R375 PolarHBondContact O-N 2.92Å; R375-K378 PolarHBondContact O-N 2.88Å
376	S	52.1	Low	51.4	Low	40 Å²	40	107.9 Å²	107.9	28%	0.28	55%	0.545	S	S	.	.	H	α-helix	trans	-65.3	-43.9	175.1	55.6	0	0	0	0	111.7	E372 F373 K378 K379 Q380	E372-S376 PolarHBondContact O-N 3.04Å; E372-S376 PolarHBondContact O-OG 2.94Å; F373-S376 PolarHBondContact O-OG 3.39Å; F373-S376 VanDerWaalsContact O-OG 3.12Å; S376-K378 PolarHBondContact O-N 3.48Å; S376-K379 PolarHBondContact O-N 3.2Å; S376-Q380 PolarHBondContact O-N 2.89Å
377	Y	49.3	Very low	49.4	Very low	88 Å²	88	109.5 Å²	109.5	35%	0.345	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.9	-15.5	-179.8	-140.5	-78.2	0	0	0	114.2	R332 A333 L336 F373	R332-Y377 WeakPolarHBondContact CD-OH 3.49Å; R332-Y377 PolarHBondContact NE-OH 3.4Å; A333-Y377 HydrophobicContact CB-CE1 4.42Å; L336-Y377 HydrophobicContact CD1-CD2 4.37Å; L336-Y377 HydrophobicContact CD1-CE1 3.97Å; L336-Y377 HydrophobicContact CD1-CE2 3.58Å; L336-Y377 WeakPolarHBondContact CD1-OH 3.34Å; F373-Y377 HydrophobicContact CE1-CD2 4.38Å; F373-Y377 HydrophobicContact CZ-CD2 4.1Å; F373-Y377 HydrophobicContact CZ-CE2 4.45Å; F373-Y377 WeakPolarHBondContact O-CB 3.33Å; F373-Y377 PolarHBondContact O-N 3.07Å
378	K	47.5	Very low	47.7	Very low	192 Å²	192	113.1 Å²	113.1	84%	0.835	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-10.3	173.3	-78.5	-169	175	-172.3	0	114.6	R375 S376	R375-K378 PolarHBondContact O-N 2.88Å; S376-K378 PolarHBondContact O-N 3.48Å
379	K	48.8	Very low	46.3	Very low	186 Å²	186	114.9 Å²	114.9	81%	0.809	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-29.2	-177.4	-86.1	-170.1	168	-171.1	0	114.4	S376 K381	S376-K379 PolarHBondContact O-N 3.2Å; K379-K381 PolarHBondContact O-N 3.3Å
380	Q	41.5	Very low	45.1	Very low	152 Å²	152	118.4 Å²	118.4	71%	0.71	61%	0.608	S	S	*	*			trans	-79.9	104.1	178	-75	172	-53.5	0	0	110.7	S376	S376-Q380 PolarHBondContact O-N 2.89Å
381	K	35.6	Very low	44.1	Very low	204 Å²	204	121.8 Å²	121.8	89%	0.887	63%	0.625	S	S	*	*			trans	-132.5	21.3	173.6	-151.3	-166	177.9	-167.8	0	112.2	K379	K379-K381 PolarHBondContact O-N 3.3Å
382	S	32.5	Very low	43.5	Very low	89 Å²	89	120.9 Å²	120.9	62%	0.622	63%	0.626	S	S	*	*	S	Bend	trans	-162.2	156.1	-174.7	54.8	0	0	0	0	110
383	T	34.9	Very low	43	Very low	133 Å²	133	121 Å²	121	82%	0.816	62%	0.621	S	S	*	*			trans	57.7	101	171.4	61.1	0	0	0	0	116.7
384	D	31.3	Very low	42.5	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	65%	0.649	S	S	*	*			trans	-66.9	157.7	159.9	-51.4	-86.6	0	0	0	112.1
385	N	33.1	Very low	42.6	Very low	157 Å²	157	124.1 Å²	124.1	84%	0.84	65%	0.645	S	S	*	*			trans	145.5	-31.6	145.6	-74.2	-27.4	0	0	0	114.2	A387	N385-A387 PolarHBondContact O-N 2.65Å
386	D	36	Very low	43.2	Very low	130 Å²	130	122.1 Å²	122.1	70%	0.695	64%	0.642	S	S	*	*			trans	-82.6	72.5	-173.2	-72.5	-43.2	0	0	0	114.4	S388	D386-S388 PolarHBondContact O-N 3.25Å
387	A	39.3	Very low	44.4	Very low	67 Å²	67	126.6 Å²	126.6	55%	0.554	66%	0.659	S	S	*	*			trans	-64.7	-16.6	173.9	0	0	0	0	0	114	N385	N385-A387 PolarHBondContact O-N 2.65Å
388	S	41.6	Very low	46.1	Very low	81 Å²	81	123.3 Å²	123.3	57%	0.566	65%	0.646	S	S	*	*	H	α-helix	trans	-73.4	-40.7	-175.4	52.9	0	0	0	0	114.1	D386 I390 L391	D386-S388 PolarHBondContact O-N 3.25Å; S388-I390 PolarHBondContact O-N 3.3Å; S388-L391 PolarHBondContact O-N 3.45Å
389	D	43.8	Very low	48	Very low	85 Å²	85	118.5 Å²	118.5	46%	0.455	63%	0.626	S	S	.	*	H	α-helix	trans	-74.5	-12.7	-179.8	-168.8	49.9	0	0	0	113	R393	D389-R393 PolarHBondContact O-NH1 3.03Å; D389-R393 VanDerWaalsContact O-NH1 3.1Å; D389-R393 IonicContact OD1-NH1 2.61Å; D389-R393 IonicContact OD2-CZ 3.95Å; D389-R393 IonicContact OD2-NH1 2.72Å; D389-R393 PolarHBondContact OD2-NH1 3.43Å; D389-R393 IonicContact OD2-NH2 3.59Å; D389-R393 PolarHBondContact OD2-NH2 3.35Å
390	I	43.4	Very low	50	Low	125 Å²	125	109.7 Å²	109.7	64%	0.641	59%	0.588	S	S	*	*	H	α-helix	trans	-75.8	-37.3	172.7	-56.2	178.8	0	0	0	110.2	S388 A392 R393	S388-I390 PolarHBondContact O-N 3.3Å; I390-A392 VanDerWaalsContact C-N 3.28Å; I390-A392 PolarHBondContact O-N 3.25Å; I390-R393 PolarHBondContact O-N 3.15Å; I390-R393 VanDerWaalsContact O-N 3.15Å
391	L	41.3	Very low	52.4	Low	135 Å²	135	103.9 Å²	103.9	71%	0.707	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-25.8	177.7	-83.6	157	0	0	0	113.5	S388 R393 M394	S388-L391 PolarHBondContact O-N 3.45Å; L391-R393 PolarHBondContact O-N 2.97Å; L391-M394 WeakPolarHBondContact O-CG 3.21Å
392	A	43.7	Very low	55.2	Low	79 Å²	79	94.2 Å²	94.2	65%	0.653	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.2	174.3	0	0	0	0	0	113.2	I390 M394	I390-A392 VanDerWaalsContact C-N 3.28Å; I390-A392 PolarHBondContact O-N 3.25Å; A392-M394 PolarHBondContact O-N 2.83Å
393	R	45.2	Very low	58.1	Low	122 Å²	122	90.1 Å²	90.1	46%	0.46	49%	0.492	S	S	.	.			trans	-99.3	49.7	-178.1	-64.4	-169.3	-180	82.9	1.7	112.6	D389 I390 L391 G395	D389-R393 PolarHBondContact O-NH1 3.03Å; D389-R393 VanDerWaalsContact O-NH1 3.1Å; D389-R393 IonicContact OD1-NH1 2.61Å; D389-R393 IonicContact OD2-CZ 3.95Å; D389-R393 IonicContact OD2-NH1 2.72Å; D389-R393 PolarHBondContact OD2-NH1 3.43Å; D389-R393 IonicContact OD2-NH2 3.59Å; D389-R393 PolarHBondContact OD2-NH2 3.35Å; I390-R393 PolarHBondContact O-N 3.15Å; I390-R393 VanDerWaalsContact O-N 3.15Å; L391-R393 PolarHBondContact O-N 2.97Å; R393-G395 VanDerWaalsContact C-N 3.35Å; R393-G395 PolarHBondContact O-N 3.02Å
394	M	45.2	Very low	61	Low	168 Å²	168	83.9 Å²	83.9	83%	0.828	45%	0.454	S	S	*	.			trans	-63.9	92.7	173.7	-68	-121.4	-67.6	0	0	110.7	L391 A392	L391-M394 WeakPolarHBondContact O-CG 3.21Å; A392-M394 PolarHBondContact O-N 2.83Å
395	G	54.6	Low	64.1	Low	32 Å²	32	76.9 Å²	76.9	33%	0.33	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-62.4	157.6	168.8	0	0	0	0	0	111	R393	R393-G395 VanDerWaalsContact C-N 3.35Å; R393-G395 PolarHBondContact O-N 3.02Å
396	K	66.8	Low	66.9	Low	153 Å²	153	70 Å²	70	67%	0.665	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-57.9	142.8	173.1	-171.6	-175.7	175.1	-169.4	0	109.6	D366 A369 F398	D366-K396 HydrophobicContact CB-CB 4.38Å; D366-K396 VanDerWaalsContact CB-O 3.26Å; D366-K396 WeakPolarHBondContact CB-O 3.32Å; D366-K396 PolarHBondContact N-O 3.26Å; A369-K396 HydrophobicContact CB-CB 4.13Å; K396-F398 PolarHBondContact O-N 3.07Å
397	E	77.4	Confident	69.4	Low	134 Å²	134	64.9 Å²	64.9	63%	0.626	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-58.9	130.8	172.4	-66	-178.5	169.7	0	0	109.9	S364	S364-E397 WeakPolarHBondContact O-CA 3.5Å
398	F	84.8	Confident	71.5	Confident	18 Å²	18	61.7 Å²	61.7	8%	0.079	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-79.7	134.4	176.1	-171.2	-96.9	0	0	0	110.7	T298 Q343 S364 D366 K396 W400	T298-F398 HydrophobicContact CG2-CZ 4.15Å; Q343-F398 HydrophobicContact CB-CD2 4.19Å; Q343-F398 HydrophobicContact CB-CE2 3.63Å; Q343-F398 HydrophobicContact CB-CZ 3.97Å; Q343-F398 HydrophobicContact CG-CD1 4.22Å; Q343-F398 HydrophobicContact CG-CD2 3.74Å; Q343-F398 HydrophobicContact CG-CE1 4.02Å; Q343-F398 HydrophobicContact CG-CE2 3.52Å; Q343-F398 HydrophobicContact CG-CG 4.1Å; Q343-F398 HydrophobicContact CG-CZ 3.68Å; S364-F398 PolarHBondContact O-N 3.22Å; D366-F398 HydrophobicContact CB-CB 4.22Å; D366-F398 HydrophobicContact CB-CD2 4.06Å; K396-F398 PolarHBondContact O-N 3.07Å; F398-W400 AromaticContact CD1-CD1 3.76Å; F398-W400 AromaticContact CD1-CD2 3.97Å; F398-W400 HydrophobicContact CD1-CD2 3.97Å; F398-W400 AromaticContact CD1-CE2 3.69Å; F398-W400 HydrophobicContact CD1-CG 4.03Å; F398-W400 HydrophobicContact CD1-CZ2 4.23Å; F398-W400 AromaticContact CD1-NE1 3.56Å; F398-W400 AromaticContact CE1-CD2 3.74Å; F398-W400 HydrophobicContact CE1-CD2 3.74Å; F398-W400 AromaticContact CE1-CE2 3.84Å; F398-W400 HydrophobicContact CE1-CE3 4.09Å; F398-W400 HydrophobicContact CE1-CG 4.01Å; F398-W400 HydrophobicContact CE1-CZ2 4.28Å
399	H	86.6	Confident	73.3	Confident	92 Å²	92	59.2 Å²	59.2	43%	0.426	30%	0.304	S	S	.	.			trans	-112.3	95.2	-168.6	-168.6	-74.6	0	0	0	109.5	Y426 D428	H399-Y426 AromaticContact CD2-CD1 3.47Å; H399-Y426 VanDerWaalsContact CD2-CD1 3.47Å; H399-Y426 WeakPolarHBondContact CD2-CD1 3.28Å; H399-Y426 AromaticContact CD2-CE1 3.37Å; H399-Y426 WeakPolarHBondContact CD2-CE1 3.44Å; H399-Y426 AromaticContact CG-CD1 3.89Å; H399-Y426 AromaticContact NE2-CD1 3.89Å; H399-Y426 AromaticContact NE2-CE1 3.33Å; H399-Y426 VanDerWaalsContact NE2-CE1 3.33Å; H399-Y426 WeakPolarHBondContact NE2-CE1 3.11Å; H399-D428 VanDerWaalsContact CE1-CG 3.47Å; H399-D428 IonicContact CE1-OD1 2.78Å; H399-D428 PolarHBondContact CE1-OD1 3.05Å; H399-D428 IonicContact CE1-OD2 2.91Å; H399-D428 PolarHBondContact CE1-OD2 3.34Å; H399-D428 VanDerWaalsContact CE1-OD2 3.24Å; H399-D428 IonicContact ND1-OD2 3.96Å; H399-D428 PolarHBondContact ND1-OD2 3.05Å; H399-D428 IonicContact NE2-OD1 3.72Å
400	W	91.4	Very high	75.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	149.6	177.8	-65.5	89.6	0	0	0	110.9	L300 L339 V342 L349 L363 F398 I425 Y426 A427 D428	L300-W400 HydrophobicContact CB-CD2 3.87Å; L300-W400 HydrophobicContact CB-CE3 3.7Å; L300-W400 HydrophobicContact CB-CH2 4.27Å; L300-W400 HydrophobicContact CB-CZ2 4.41Å; L300-W400 HydrophobicContact CB-CZ3 3.91Å; L300-W400 HydrophobicContact CD1-CH2 4.23Å; L300-W400 HydrophobicContact CD1-CZ2 4.38Å; L300-W400 HydrophobicContact CD2-CD2 4.44Å; L300-W400 HydrophobicContact CD2-CZ2 4.2Å; L339-W400 HydrophobicContact CD1-CH2 3.9Å; L339-W400 HydrophobicContact CD1-CZ2 3.83Å; V342-W400 HydrophobicContact CG1-CZ3 4.28Å; L349-W400 HydrophobicContact CB-CH2 4.06Å; L349-W400 HydrophobicContact CB-CZ3 4.24Å; L349-W400 HydrophobicContact CD2-CH2 3.81Å; L349-W400 HydrophobicContact CD2-CZ2 4.44Å; L363-W400 HydrophobicContact CD2-CZ2 4.24Å; L363-W400 PolarHBondContact O-NE1 3.12Å; F398-W400 AromaticContact CD1-CD1 3.76Å; F398-W400 AromaticContact CD1-CD2 3.97Å; F398-W400 HydrophobicContact CD1-CD2 3.97Å; F398-W400 AromaticContact CD1-CE2 3.69Å; F398-W400 HydrophobicContact CD1-CG 4.03Å; F398-W400 HydrophobicContact CD1-CZ2 4.23Å; F398-W400 AromaticContact CD1-NE1 3.56Å; F398-W400 AromaticContact CE1-CD2 3.74Å; F398-W400 HydrophobicContact CE1-CD2 3.74Å; F398-W400 AromaticContact CE1-CE2 3.84Å; F398-W400 HydrophobicContact CE1-CE3 4.09Å; F398-W400 HydrophobicContact CE1-CG 4.01Å; F398-W400 HydrophobicContact CE1-CZ2 4.28Å; W400-I425 HydrophobicContact CG-CG2 4.33Å; W400-Y426 PolarHBondContact N-O 3.31Å; W400-A427 HydrophobicContact CB-CB 3.82Å; W400-A427 CarbonylContact O-C 3.58Å; W400-A427 WeakPolarHBondContact O-CA 3.36Å; W400-D428 PolarHBondContact O-N 3.21Å
401	T	91.2	Very high	77.2	Confident	31 Å²	31	54.2 Å²	54.2	19%	0.19	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-42.7	171.7	-41.5	0	0	0	0	110.4	T298 D428 H429	T298-T401 PolarHBondContact N-OG1 2.89Å; T298-T401 WeakPolarHBondContact O-CA 3.46Å; T298-T401 VanDerWaalsContact O-CB 3.28Å; T298-T401 WeakPolarHBondContact O-CB 3.45Å; T298-T401 PolarHBondContact O-N 3.39Å; T298-T401 PolarHBondContact OG1-N 3.01Å; T298-T401 PolarHBondContact OG1-OG1 3.47Å; T401-D428 WeakPolarHBondContact O-CB 3.28Å; T401-H429 PolarHBondContact O-CD2 3.5Å; T401-H429 PolarHBondContact O-N 3.38Å
402	Y	94.2	Very high	79.1	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.8	178	-90	-96.4	0	0	0	112.2	H262 F285 L289 T298 V299 L300 I404 H429 I431	H262-Y402 WeakPolarHBondContact CB-OH 3.49Å; H262-Y402 AromaticContact ND1-CE2 3.85Å; H262-Y402 AromaticContact ND1-CZ 3.88Å; H262-Y402 PolarHBondContact ND1-OH 3.16Å; F285-Y402 HydrophobicContact CE1-CD1 4.43Å; F285-Y402 AromaticContact CE1-CE1 3.71Å; F285-Y402 HydrophobicContact CE1-CE1 3.71Å; F285-Y402 HydrophobicContact CE1-CE2 4.27Å; F285-Y402 AromaticContact CE1-CZ 3.65Å; F285-Y402 HydrophobicContact CZ-CE1 4.18Å; F285-Y402 HydrophobicContact CZ-CE2 4.41Å; F285-Y402 AromaticContact CZ-CZ 3.74Å; F285-Y402 WeakPolarHBondContact CZ-OH 3.49Å; L289-Y402 HydrophobicContact CD2-CD2 3.68Å; L289-Y402 HydrophobicContact CD2-CE2 3.46Å; L289-Y402 VanDerWaalsContact CD2-CE2 3.46Å; T298-Y402 PolarHBondContact O-N 2.87Å; V299-Y402 WeakPolarHBondContact CA-O 3.42Å; L300-Y402 PolarHBondContact N-O 3.03Å; Y402-I404 HydrophobicContact CD1-CG1 4.43Å; Y402-H429 HydrophobicContact CD1-CB 3.77Å; Y402-H429 HydrophobicContact CD2-CB 4.46Å; Y402-H429 HydrophobicContact CE1-CB 3.4Å; Y402-H429 VanDerWaalsContact CE1-CB 3.4Å; Y402-H429 AromaticContact CE1-CG 3.88Å; Y402-H429 HydrophobicContact CE2-CB 4.14Å; Y402-H429 AromaticContact CE2-CD2 3.36Å; Y402-H429 WeakPolarHBondContact CE2-CD2 3.41Å; Y402-H429 AromaticContact CE2-CG 3.9Å; Y402-H429 HydrophobicContact CG-CB 4.26Å; Y402-H429 AromaticContact CZ-CD2 3.43Å; Y402-H429 VanDerWaalsContact CZ-CD2 3.43Å; Y402-H429 AromaticContact CZ-CG 3.48Å; Y402-H429 VanDerWaalsContact CZ-CG 3.48Å; Y402-H429 PolarHBondContact OH-CD2 3.24Å; Y402-I431 HydrophobicContact CD1-CG1 4.11Å; Y402-I431 HydrophobicContact CE1-CG1 3.85Å
403	L	94.9	Very high	81	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	158.2	178.9	59	0	0	0	108.6	L300 V302 L405 I425 A427 H429 C430 I431	L300-L403 HydrophobicContact CB-CD1 4.22Å; L300-L403 HydrophobicContact CD2-CD1 4.12Å; L300-L403 HydrophobicContact CG-CD1 4.14Å; L300-L403 WeakPolarHBondContact O-CA 3.26Å; V302-L403 HydrophobicContact CG2-CD1 3.86Å; L403-L405 HydrophobicContact CD1-CD2 3.83Å; L403-L405 HydrophobicContact CD2-CD2 4.26Å; L403-L405 HydrophobicContact CG-CD2 3.95Å; L403-L405 HydrophobicContact CG-CG 4.25Å; L403-I425 HydrophobicContact CD1-CD1 3.91Å; L403-I425 HydrophobicContact CD2-CB 4.16Å; L403-I425 HydrophobicContact CD2-CD1 4.13Å; L403-I425 HydrophobicContact CD2-CG2 4.3Å; L403-A427 HydrophobicContact CB-CB 3.85Å; L403-H429 PolarHBondContact N-O 3.08Å; L403-C430 HydrophobicContact CB-CB 4.48Å; L403-C430 WeakPolarHBondContact O-CA 3.47Å; L403-I431 PolarHBondContact O-N 2.73Å
404	I	96.3	Very high	82.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.1	177.8	-53.3	-174.6	0	0	0	108.9	V282 L286 V299 L300 I301 V302 Y402 I431 L433	V282-I404 HydrophobicContact CG1-CD1 3.68Å; V282-I404 HydrophobicContact CG1-CG2 4.43Å; L286-I404 HydrophobicContact CD1-CD1 4.03Å; L286-I404 HydrophobicContact CD2-CD1 4.27Å; L286-I404 HydrophobicContact CG-CD1 4.4Å; V299-I404 HydrophobicContact CG1-CD1 4.04Å; V299-I404 HydrophobicContact CG1-CG1 4.37Å; L300-I404 PolarHBondContact O-N 3.47Å; I301-I404 WeakPolarHBondContact CA-O 3.37Å; I301-I404 HydrophobicContact CG1-CB 4.26Å; I301-I404 HydrophobicContact CG1-CD1 4.46Å; I301-I404 HydrophobicContact CG2-CB 4.26Å; I301-I404 HydrophobicContact CG2-CG2 4.35Å; V302-I404 PolarHBondContact N-O 3.1Å; Y402-I404 HydrophobicContact CD1-CG1 4.43Å; I404-I431 WeakPolarHBondContact CA-O 3.28Å; I404-L433 HydrophobicContact CG2-CD1 3.93Å; I404-L433 HydrophobicContact CG2-CG 4.12Å
405	L	94.8	Very high	84.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104.5	-177.5	-57.4	-176.9	0	0	0	109.7	V302 Y353 L403 V411 A422 I431 L432 L433 V451	V302-L405 HydrophobicContact CB-CD2 3.72Å; V302-L405 HydrophobicContact CG1-CD2 4.49Å; V302-L405 HydrophobicContact CG2-CD2 3.74Å; Y353-L405 HydrophobicContact CE1-CD2 4.45Å; L403-L405 HydrophobicContact CD1-CD2 3.83Å; L403-L405 HydrophobicContact CD2-CD2 4.26Å; L403-L405 HydrophobicContact CG-CD2 3.95Å; L403-L405 HydrophobicContact CG-CG 4.25Å; L405-V411 HydrophobicContact CD1-CG2 4.18Å; L405-A422 HydrophobicContact CD1-CB 4.19Å; L405-I431 PolarHBondContact N-O 3.31Å; L405-L432 HydrophobicContact CB-CG 4.48Å; L405-L433 PolarHBondContact O-N 2.8Å; L405-V451 HydrophobicContact CD1-CG1 3.52Å
406	D	93.2	Very high	86.2	Confident	13 Å²	13	39.5 Å²	39.5	7%	0.07	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	147.3	176.1	-169.8	31.4	0	0	0	111.9	V302 M303 W311 Y353 G408 L433	V302-D406 PolarHBondContact O-N 3.29Å; M303-D406 HydrophobicContact CB-CB 4.05Å; W311-D406 HydrophobicContact CZ2-CB 3.96Å; W311-D406 PolarHBondContact NE1-OD2 3.32Å; Y353-D406 VanDerWaalsContact CE2-O 3.26Å; Y353-D406 WeakPolarHBondContact CE2-O 3.22Å; Y353-D406 PolarHBondContact OH-O 3.24Å; D406-G408 VanDerWaalsContact C-N 3.26Å; D406-G408 PolarHBondContact O-N 2.75Å; D406-L433 HydrophobicContact CB-CD1 4.29Å
407	E	87.3	Confident	87.2	Confident	23 Å²	23	37.4 Å²	37.4	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.1	-167.9	-72.2	-69.8	-172	0	0	112.6	P304 H409 K410 L433 Q762	P304-E407 HydrophobicContact CG-CB 3.95Å; P304-E407 HydrophobicContact CG-CG 4.23Å; E407-H409 PolarHBondContact O-N 3.01Å; E407-H409 PolarHBondContact O-ND1 3.04Å; E407-H409 IonicContact OE2-CE1 3.59Å; E407-H409 PolarHBondContact OE2-CE1 3.13Å; E407-H409 IonicContact OE2-ND1 3.62Å; E407-H409 PolarHBondContact OE2-ND1 3.01Å; E407-K410 WeakPolarHBondContact O-CG 3.25Å; E407-K410 PolarHBondContact O-N 3.08Å; E407-L433 PolarHBondContact N-O 3.17Å; E407-Q762 PolarHBondContact OE1-NE2 3.16Å; E407-Q762 VanDerWaalsContact OE1-NE2 3.12Å
408	G	84.2	Confident	87.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.5	-6.9	-172.6	0	0	0	0	0	116.2	D406 K410 V411 L433 L448	D406-G408 VanDerWaalsContact C-N 3.26Å; D406-G408 PolarHBondContact O-N 2.75Å; G408-K410 PolarHBondContact O-N 2.83Å; G408-V411 WeakPolarHBondContact O-CG2 3.44Å; G408-V411 PolarHBondContact O-N 3.14Å; G408-L433 PolarHBondContact N-O 3.1Å; G408-L448 WeakPolarHBondContact O-CD2 3.34Å
409	H	80	Confident	88	Confident	28 Å²	28	32 Å²	32	13%	0.13	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-53.7	-20	161.8	77.5	-104.2	0	0	0	112.7	E407 V411 K412	E407-H409 PolarHBondContact O-N 3.01Å; E407-H409 PolarHBondContact O-ND1 3.04Å; E407-H409 IonicContact OE2-CE1 3.59Å; E407-H409 PolarHBondContact OE2-CE1 3.13Å; E407-H409 IonicContact OE2-ND1 3.62Å; E407-H409 PolarHBondContact OE2-ND1 3.01Å; H409-V411 VanDerWaalsContact C-N 3.27Å; H409-V411 PolarHBondContact O-N 3.4Å; H409-K412 WeakPolarHBondContact O-CB 3.42Å; H409-K412 WeakPolarHBondContact O-CD 3.4Å; H409-K412 VanDerWaalsContact O-CG 3.23Å; H409-K412 WeakPolarHBondContact O-CG 3.48Å; H409-K412 PolarHBondContact O-N 3.21Å
410	K	83.4	Confident	88.2	Confident	106 Å²	106	31.3 Å²	31.3	46%	0.461	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-66.4	-17.9	171.9	-62.7	-53.7	-178.5	-154.2	0	114.9	Y353 E407 G408	Y353-K410 HydrophobicContact CD2-CB 4.26Å; Y353-K410 HydrophobicContact CD2-CG 4.17Å; Y353-K410 HydrophobicContact CE1-CB 4.34Å; Y353-K410 HydrophobicContact CE2-CB 3.92Å; Y353-K410 HydrophobicContact CE2-CG 3.89Å; E407-K410 WeakPolarHBondContact O-CG 3.25Å; E407-K410 PolarHBondContact O-N 3.08Å; G408-K410 PolarHBondContact O-N 2.83Å
411	V	84.4	Confident	88.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-110.5	20.9	178.1	-63.9	0	0	0	0	113.6	Y353 L405 G408 H409 N413 T418 T419 A422 L432 S447 L448 V451	Y353-V411 HydrophobicContact CE1-CG1 4.01Å; L405-V411 HydrophobicContact CD1-CG2 4.18Å; G408-V411 WeakPolarHBondContact O-CG2 3.44Å; G408-V411 PolarHBondContact O-N 3.14Å; H409-V411 VanDerWaalsContact C-N 3.27Å; H409-V411 PolarHBondContact O-N 3.4Å; V411-N413 VanDerWaalsContact C-N 3.34Å; V411-N413 PolarHBondContact O-N 2.91Å; V411-T418 HydrophobicContact CG1-CG2 4.22Å; V411-T419 WeakPolarHBondContact CA-OG1 3.28Å; V411-T419 HydrophobicContact CB-CG2 4.17Å; V411-T419 WeakPolarHBondContact O-CG2 3.43Å; V411-T419 PolarHBondContact O-OG1 3.25Å; V411-A422 HydrophobicContact CG1-CB 4.32Å; V411-L432 HydrophobicContact CG2-CD1 3.84Å; V411-S447 PolarHBondContact O-OG 2.91Å; V411-L448 HydrophobicContact CG2-CD2 4.24Å; V411-V451 HydrophobicContact CB-CG2 4.47Å; V411-V451 HydrophobicContact CG2-CG2 4.35Å
412	K	82.4	Confident	88	Confident	50 Å²	50	30.3 Å²	30.3	22%	0.217	16%	0.159	C	C	.	.			trans	-70.3	-20.9	-178.2	75.6	-176.4	-163	154.6	0	115.6	H409 N440 E444 S447	H409-K412 WeakPolarHBondContact O-CB 3.42Å; H409-K412 WeakPolarHBondContact O-CD 3.4Å; H409-K412 VanDerWaalsContact O-CG 3.23Å; H409-K412 WeakPolarHBondContact O-CG 3.48Å; H409-K412 PolarHBondContact O-N 3.21Å; K412-N440 PolarHBondContact NZ-ND2 3.26Å; K412-N440 VanDerWaalsContact NZ-ND2 3.18Å; K412-E444 HydrophobicContact CB-CB 4.13Å; K412-E444 HydrophobicContact CB-CG 4.17Å; K412-E444 HydrophobicContact CD-CG 4.34Å; K412-E444 VanDerWaalsContact CD-OE1 3.29Å; K412-E444 WeakPolarHBondContact CD-OE1 3.35Å; K412-E444 VanDerWaalsContact CE-OE1 3.23Å; K412-E444 WeakPolarHBondContact CE-OE1 3.38Å; K412-E444 HydrophobicContact CG-CG 4.37Å; K412-E444 IonicContact NZ-OE1 2.75Å; K412-E444 PolarHBondContact NZ-OE1 3.47Å; K412-E444 WeakPolarHBondContact O-CA 3.3Å; K412-S447 WeakPolarHBondContact O-CB 3.23Å; K412-S447 PolarHBondContact O-OG 3.22Å
413	N	82.8	Confident	87.8	Confident	40 Å²	40	32.7 Å²	32.7	21%	0.214	17%	0.171	C	C	.	.			trans	-103.6	114.1	177.8	176.3	-10.2	0	0	0	109.3	V411 S415 A416 T419	V411-N413 VanDerWaalsContact C-N 3.34Å; V411-N413 PolarHBondContact O-N 2.91Å; N413-S415 PolarHBondContact ND2-OG 2.77Å; N413-S415 PolarHBondContact O-N 2.71Å; N413-S415 WeakPolarHBondContact OD1-CB 3.34Å; N413-S415 PolarHBondContact OD1-N 3.28Å; N413-S415 PolarHBondContact OD1-OG 3.16Å; N413-A416 HydrophobicContact CB-CB 4.35Å; N413-A416 WeakPolarHBondContact O-CB 3.43Å; N413-A416 PolarHBondContact O-N 3.26Å; N413-T419 WeakPolarHBondContact O-CB 3.47Å; N413-T419 PolarHBondContact O-OG1 3.26Å
414	S	83.3	Confident	87.4	Confident	25 Å²	25	34.8 Å²	34.8	18%	0.175	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.9	-177	-168.4	0	0	0	0	114.7	S447	S414-S447 PolarHBondContact N-OG 2.83Å
415	S	84	Confident	87.1	Confident	82 Å²	82	34.7 Å²	34.7	57%	0.573	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.8	175.4	67.9	0	0	0	0	113.3	N413	N413-S415 PolarHBondContact ND2-OG 2.77Å; N413-S415 PolarHBondContact O-N 2.71Å; N413-S415 WeakPolarHBondContact OD1-CB 3.34Å; N413-S415 PolarHBondContact OD1-N 3.28Å; N413-S415 PolarHBondContact OD1-OG 3.16Å
416	A	86.6	Confident	86.7	Confident	30 Å²	30	38.8 Å²	38.8	25%	0.248	20%	0.203	C	C	.	.	S	Bend	trans	-65.6	139.2	-173.7	0	0	0	0	0	112.6	N413 T418 T419 K420	N413-A416 HydrophobicContact CB-CB 4.35Å; N413-A416 WeakPolarHBondContact O-CB 3.43Å; N413-A416 PolarHBondContact O-N 3.26Å; A416-T418 PolarHBondContact O-N 3.2Å; A416-T418 VanDerWaalsContact O-N 3.15Å; A416-T419 PolarHBondContact O-N 3.35Å; A416-K420 PolarHBondContact O-N 2.84Å; A416-K420 VanDerWaalsContact O-N 3.08Å
417	K	88.3	Confident	86.6	Confident	109 Å²	109	38.1 Å²	38.1	47%	0.474	20%	0.2	S	C	.	.	H	α-helix	trans	-53	-37	177.5	-69.5	-170.2	172.8	-170.1	0	112.4	V357 K420 A421 V1067	V357-K417 HydrophobicContact CG1-CB 4.19Å; K417-K420 PolarHBondContact O-N 3.4Å; K417-A421 WeakPolarHBondContact O-CB 3.42Å; K417-A421 PolarHBondContact O-N 2.99Å; K417-V1067 PolarHBondContact NZ-O 2.88Å
418	T	90	Very high	86.6	Confident	38 Å²	38	40.5 Å²	40.5	23%	0.233	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-46	175.7	-43.3	0	0	0	0	112.8	Y353 V411 A416 A421 A422	Y353-T418 HydrophobicContact CD1-CG2 3.36Å; Y353-T418 HydrophobicContact CE1-CG2 4.18Å; Y353-T418 HydrophobicContact CG-CG2 3.94Å; V411-T418 HydrophobicContact CG1-CG2 4.22Å; A416-T418 PolarHBondContact O-N 3.2Å; A416-T418 VanDerWaalsContact O-N 3.15Å; T418-A421 PolarHBondContact O-N 3.05Å; T418-A422 PolarHBondContact O-N 2.92Å
419	T	89.6	Confident	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-44.4	179.6	-47.1	0	0	0	0	110.9	V411 N413 A416 A421 A422 Q423 V451	V411-T419 WeakPolarHBondContact CA-OG1 3.28Å; V411-T419 HydrophobicContact CB-CG2 4.17Å; V411-T419 WeakPolarHBondContact O-CG2 3.43Å; V411-T419 PolarHBondContact O-OG1 3.25Å; N413-T419 WeakPolarHBondContact O-CB 3.47Å; N413-T419 PolarHBondContact O-OG1 3.26Å; A416-T419 PolarHBondContact O-N 3.35Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 3.14Å; T419-A422 PolarHBondContact O-N 3.44Å; T419-Q423 WeakPolarHBondContact O-CG 3.45Å; T419-Q423 PolarHBondContact O-N 2.96Å; T419-V451 HydrophobicContact CG2-CG2 3.78Å
420	K	89	Confident	87.5	Confident	77 Å²	77	39.5 Å²	39.5	34%	0.335	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-42.5	174.2	-65.5	-169.2	178.9	-167.6	0	112	A416 K417 Q423 A424 V1064	A416-K420 PolarHBondContact O-N 2.84Å; A416-K420 VanDerWaalsContact O-N 3.08Å; K417-K420 PolarHBondContact O-N 3.4Å; K420-Q423 PolarHBondContact O-N 3.5Å; K420-A424 WeakPolarHBondContact O-CB 3.42Å; K420-A424 PolarHBondContact O-N 2.95Å; K420-V1064 HydrophobicContact CD-CG2 4.41Å
421	A	89.7	Confident	88.1	Confident	8 Å²	8	34.6 Å²	34.6	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-37.3	177.1	0	0	0	0	0	112.7	L356 V357 I360 K417 T418 T419 A424	L356-A421 HydrophobicContact CD2-CB 4.45Å; L356-A421 HydrophobicContact CG-CB 4.1Å; V357-A421 HydrophobicContact CG2-CB 3.92Å; I360-A421 VanDerWaalsContact CD1-O 3.32Å; I360-A421 WeakPolarHBondContact CD1-O 3.46Å; K417-A421 WeakPolarHBondContact O-CB 3.42Å; K417-A421 PolarHBondContact O-N 2.99Å; T418-A421 PolarHBondContact O-N 3.05Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-A421 PolarHBondContact O-N 3.14Å; A421-A424 PolarHBondContact O-N 3.12Å
422	A	90.4	Very high	88.5	Confident	2 Å²	2	34.6 Å²	34.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-39.8	173.6	0	0	0	0	0	112.4	L356 L405 V411 T418 T419 A424 I425 V451	L356-A422 HydrophobicContact CD2-CB 4.48Å; L405-A422 HydrophobicContact CD1-CB 4.19Å; V411-A422 HydrophobicContact CG1-CB 4.32Å; T418-A422 PolarHBondContact O-N 2.92Å; T419-A422 PolarHBondContact O-N 3.44Å; A422-A424 VanDerWaalsContact C-N 3.31Å; A422-A424 PolarHBondContact O-N 3.41Å; A422-I425 PolarHBondContact O-N 2.89Å; A422-V451 HydrophobicContact CB-CG1 4.46Å
423	Q	88.5	Confident	89	Confident	52 Å²	52	32.2 Å²	32.2	24%	0.243	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-29.8	175.9	-71.4	170.4	-12.6	0	0	112.9	T419 K420 I425 N450 V451	T419-Q423 WeakPolarHBondContact O-CG 3.45Å; T419-Q423 PolarHBondContact O-N 2.96Å; K420-Q423 PolarHBondContact O-N 3.5Å; Q423-I425 VanDerWaalsContact C-N 3.26Å; Q423-I425 PolarHBondContact O-N 3.43Å; Q423-N450 PolarHBondContact NE2-ND2 2.99Å; Q423-N450 VanDerWaalsContact NE2-ND2 3.2Å; Q423-V451 HydrophobicContact CG-CG2 3.92Å
424	A	87.2	Confident	89.2	Confident	45 Å²	45	30.4 Å²	30.4	37%	0.372	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.8	178.5	0	0	0	0	0	114.9	I360 S364 K420 A421 A422	I360-A424 HydrophobicContact CD1-CB 4.22Å; I360-A424 HydrophobicContact CG1-CB 4.28Å; S364-A424 PolarHBondContact OG-O 3.02Å; K420-A424 WeakPolarHBondContact O-CB 3.42Å; K420-A424 PolarHBondContact O-N 2.95Å; A421-A424 PolarHBondContact O-N 3.12Å; A422-A424 VanDerWaalsContact C-N 3.31Å; A422-A424 PolarHBondContact O-N 3.41Å
425	I	89.2	Confident	88.9	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-89	122.4	171.1	-64.6	162.2	0	0	0	109.5	L300 L356 I360 W400 L403 A422 Q423 A427 R454	L300-I425 HydrophobicContact CD2-CD1 3.67Å; L300-I425 HydrophobicContact CD2-CG1 4.45Å; L300-I425 HydrophobicContact CD2-CG2 4.39Å; L356-I425 HydrophobicContact CD1-CD1 3.5Å; L356-I425 HydrophobicContact CD1-CG1 4.22Å; L356-I425 HydrophobicContact CD2-CD1 4.23Å; I360-I425 HydrophobicContact CD1-CG1 3.87Å; W400-I425 HydrophobicContact CG-CG2 4.33Å; L403-I425 HydrophobicContact CD1-CD1 3.91Å; L403-I425 HydrophobicContact CD2-CB 4.16Å; L403-I425 HydrophobicContact CD2-CD1 4.13Å; L403-I425 HydrophobicContact CD2-CG2 4.3Å; A422-I425 PolarHBondContact O-N 2.89Å; Q423-I425 VanDerWaalsContact C-N 3.26Å; Q423-I425 PolarHBondContact O-N 3.43Å; I425-A427 HydrophobicContact CG2-CB 4.43Å; I425-R454 PolarHBondContact O-NE 2.87Å; I425-R454 PolarHBondContact O-NH2 3.45Å
426	Y	88	Confident	88.2	Confident	85 Å²	85	26.6 Å²	26.6	33%	0.333	14%	0.142	S	C	.	.			trans	-80.7	123.2	167.2	-155.9	-72.9	0	0	0	110.6	H399 W400	H399-Y426 AromaticContact CD2-CD1 3.47Å; H399-Y426 VanDerWaalsContact CD2-CD1 3.47Å; H399-Y426 WeakPolarHBondContact CD2-CD1 3.28Å; H399-Y426 AromaticContact CD2-CE1 3.37Å; H399-Y426 WeakPolarHBondContact CD2-CE1 3.44Å; H399-Y426 AromaticContact CG-CD1 3.89Å; H399-Y426 AromaticContact NE2-CD1 3.89Å; H399-Y426 AromaticContact NE2-CE1 3.33Å; H399-Y426 VanDerWaalsContact NE2-CE1 3.33Å; H399-Y426 WeakPolarHBondContact NE2-CE1 3.11Å; W400-Y426 PolarHBondContact N-O 3.31Å
427	A	89.7	Confident	86.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	143.8	-178.2	0	0	0	0	0	110	W400 L403 I425 R454	W400-A427 HydrophobicContact CB-CB 3.82Å; W400-A427 CarbonylContact O-C 3.58Å; W400-A427 WeakPolarHBondContact O-CA 3.36Å; L403-A427 HydrophobicContact CB-CB 3.85Å; I425-A427 HydrophobicContact CG2-CB 4.43Å; A427-R454 VanDerWaalsContact O-CZ 3.26Å; A427-R454 PolarHBondContact O-NH1 3.17Å; A427-R454 PolarHBondContact O-NH2 3.35Å
428	D	87.3	Confident	85.6	Confident	72 Å²	72	20.5 Å²	20.5	39%	0.385	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-53.5	177.3	-67.7	-62	0	0	0	112	H399 W400 T401	H399-D428 VanDerWaalsContact CE1-CG 3.47Å; H399-D428 IonicContact CE1-OD1 2.78Å; H399-D428 PolarHBondContact CE1-OD1 3.05Å; H399-D428 IonicContact CE1-OD2 2.91Å; H399-D428 PolarHBondContact CE1-OD2 3.34Å; H399-D428 VanDerWaalsContact CE1-OD2 3.24Å; H399-D428 IonicContact ND1-OD2 3.96Å; H399-D428 PolarHBondContact ND1-OD2 3.05Å; H399-D428 IonicContact NE2-OD1 3.72Å; W400-D428 PolarHBondContact O-N 3.21Å; T401-D428 WeakPolarHBondContact O-CB 3.28Å
429	H	91	Very high	83.9	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.019	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.4	-179.9	-50.1	-87.1	0	0	0	111.2	H262 S266 T401 Y402 L403	H262-H429 AromaticContact CE1-NE2 3.4Å; H262-H429 PolarHBondContact CE1-NE2 3.21Å; H262-H429 AromaticContact ND1-CD2 3.62Å; H262-H429 AromaticContact ND1-CE1 3.33Å; H262-H429 PolarHBondContact ND1-CE1 3.31Å; H262-H429 VanDerWaalsContact ND1-CE1 3.33Å; H262-H429 AromaticContact ND1-NE2 2.91Å; H262-H429 PolarHBondContact ND1-NE2 3.37Å; H262-H429 PolarHBondContact O-CE1 2.93Å; S266-H429 PolarHBondContact O-ND1 3.25Å; T401-H429 PolarHBondContact O-CD2 3.5Å; T401-H429 PolarHBondContact O-N 3.38Å; Y402-H429 HydrophobicContact CD1-CB 3.77Å; Y402-H429 HydrophobicContact CD2-CB 4.46Å; Y402-H429 HydrophobicContact CE1-CB 3.4Å; Y402-H429 VanDerWaalsContact CE1-CB 3.4Å; Y402-H429 AromaticContact CE1-CG 3.88Å; Y402-H429 HydrophobicContact CE2-CB 4.14Å; Y402-H429 AromaticContact CE2-CD2 3.36Å; Y402-H429 WeakPolarHBondContact CE2-CD2 3.41Å; Y402-H429 AromaticContact CE2-CG 3.9Å; Y402-H429 HydrophobicContact CG-CB 4.26Å; Y402-H429 AromaticContact CZ-CD2 3.43Å; Y402-H429 VanDerWaalsContact CZ-CD2 3.43Å; Y402-H429 AromaticContact CZ-CG 3.48Å; Y402-H429 VanDerWaalsContact CZ-CG 3.48Å; Y402-H429 PolarHBondContact OH-CD2 3.24Å; L403-H429 PolarHBondContact N-O 3.08Å
430	C	93.3	Very high	82.4	Confident	4 Å²	4	21.4 Å²	21.4	3%	0.027	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.3	170.8	-177.1	0	0	0	0	110.2	G267 G268 L403	G267-C430 WeakPolarHBondContact CA-O 3.45Å; G268-C430 PolarHBondContact N-O 3.12Å; G268-C430 VanDerWaalsContact N-O 3.15Å; L403-C430 HydrophobicContact CB-CB 4.48Å; L403-C430 WeakPolarHBondContact O-CA 3.47Å
431	I	94.8	Very high	81.5	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.4	178.1	-56.1	-58.9	0	0	0	109.2	L258 L261 G268 Y402 L403 I404 L405 L433	L258-I431 HydrophobicContact CD2-CD1 4.21Å; L258-I431 HydrophobicContact CD2-CG1 4.43Å; L258-I431 HydrophobicContact CD2-CG2 3.95Å; L261-I431 HydrophobicContact CD1-CD1 4.01Å; G268-I431 WeakPolarHBondContact O-CA 3.14Å; Y402-I431 HydrophobicContact CD1-CG1 4.11Å; Y402-I431 HydrophobicContact CE1-CG1 3.85Å; L403-I431 PolarHBondContact O-N 2.73Å; I404-I431 WeakPolarHBondContact CA-O 3.28Å; L405-I431 PolarHBondContact N-O 3.31Å; I431-L433 HydrophobicContact CG2-CD2 3.86Å
432	L	93.5	Very high	80.9	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.8	179.6	-171.6	146.8	0	0	0	109.9	G268 I269 L270 L405 V411 T434 L448 T452	G268-L432 PolarHBondContact O-N 3.03Å; I269-L432 CarbonylContact C-O 3.49Å; I269-L432 WeakPolarHBondContact CA-O 3.34Å; I269-L432 HydrophobicContact CG1-CB 4.37Å; I269-L432 HydrophobicContact CG2-CD2 3.95Å; L270-L432 PolarHBondContact N-O 3.4Å; L405-L432 HydrophobicContact CB-CG 4.48Å; V411-L432 HydrophobicContact CG2-CD1 3.84Å; L432-T434 HydrophobicContact CD2-CG2 4.32Å; L432-L448 HydrophobicContact CD1-CB 4.45Å; L432-L448 HydrophobicContact CD1-CD2 3.62Å; L432-L448 HydrophobicContact CD2-CD2 4.21Å; L432-T452 HydrophobicContact CB-CG2 3.67Å; L432-T452 HydrophobicContact CD1-CG2 4.43Å
433	L	93.1	Very high	80.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.8	179.1	-41.1	176.8	0	0	0	108.4	L270 K278 V282 W311 I404 L405 D406 E407 G408 I431	L270-L433 HydrophobicContact CB-CD2 3.98Å; L270-L433 HydrophobicContact CD2-CD2 4.21Å; K278-L433 HydrophobicContact CD-CB 4.36Å; V282-L433 HydrophobicContact CG2-CD1 3.95Å; V282-L433 HydrophobicContact CG2-CD2 3.67Å; V282-L433 HydrophobicContact CG2-CG 4.47Å; W311-L433 HydrophobicContact CH2-CD1 3.83Å; W311-L433 HydrophobicContact CZ2-CD1 3.75Å; I404-L433 HydrophobicContact CG2-CD1 3.93Å; I404-L433 HydrophobicContact CG2-CG 4.12Å; L405-L433 PolarHBondContact O-N 2.8Å; D406-L433 HydrophobicContact CB-CD1 4.29Å; E407-L433 PolarHBondContact N-O 3.17Å; G408-L433 PolarHBondContact N-O 3.1Å; I431-L433 HydrophobicContact CG2-CD2 3.86Å
434	T	87.5	Confident	80.1	Confident	1 Å²	1	22 Å²	22	1%	0.006	12%	0.116	C	C	.	.			trans	-142.9	145.9	175.1	-173.4	0	0	0	0	111.9	I269 L270 A271 K278 L432 T436	I269-T434 HydrophobicContact CG2-CG2 4.1Å; L270-T434 PolarHBondContact O-N 3.37Å; A271-T434 WeakPolarHBondContact CA-O 3.44Å; A271-T434 HydrophobicContact CB-CG2 3.93Å; K278-T434 WeakPolarHBondContact CE-O 3.26Å; K278-T434 VanDerWaalsContact NZ-C 3.26Å; K278-T434 PolarHBondContact NZ-O 3.24Å; L432-T434 HydrophobicContact CD2-CG2 4.32Å; T434-T436 VanDerWaalsContact C-N 3.34Å; T434-T436 WeakPolarHBondContact CG2-O 3.41Å; T434-T436 PolarHBondContact OG1-N 3.49Å; T434-T436 PolarHBondContact OG1-O 3.15Å
435	G	75.7	Confident	79.9	Confident	6 Å²	6	20 Å²	20	6%	0.062	10%	0.099	C	C	.	.	S	Bend	trans	-83.2	-11.8	165.2	0	0	0	0	0	114
436	T	70.1	Confident	79.9	Confident	22 Å²	22	20.6 Å²	20.6	14%	0.135	10%	0.101	C	C	.	.	S	Bend	trans	-137.9	109.6	-173.3	56.1	0	0	0	0	108.2	M274 T434 Q439 A758	M274-T436 HydrophobicContact CE-CG2 4.33Å; T434-T436 VanDerWaalsContact C-N 3.34Å; T434-T436 WeakPolarHBondContact CG2-O 3.41Å; T434-T436 PolarHBondContact OG1-N 3.49Å; T434-T436 PolarHBondContact OG1-O 3.15Å; T436-Q439 PolarHBondContact OG1-NE2 2.82Å; T436-Q439 VanDerWaalsContact OG1-NE2 3.07Å; T436-A758 HydrophobicContact CG2-CB 3.84Å
437	A	60.1	Low	79.8	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.086	C	C	.	.	S	Bend	trans	-66.2	-41.8	-165.6	0	0	0	0	0	113.4	A271 F503 T806	A271-A437 HydrophobicContact CB-CB 4.1Å; A437-F503 HydrophobicContact CB-CE2 3.96Å; A437-F503 HydrophobicContact CB-CZ 3.64Å; A437-T806 HydrophobicContact CB-CG2 3.78Å
438	V	60.1	Low	79.8	Confident	10 Å²	10	16.9 Å²	16.9	6%	0.061	9%	0.087	C	C	.	.			trans	-140.5	158.7	169.2	-178.5	0	0	0	0	105.9	L445 I802 T806	V438-L445 HydrophobicContact CG2-CB 4.2Å; V438-L445 HydrophobicContact CG2-CD1 3.8Å; V438-L445 HydrophobicContact CG2-CG 4.42Å; V438-I802 HydrophobicContact CB-CG1 4.4Å; V438-I802 WeakPolarHBondContact O-CD1 3.09Å; V438-T806 HydrophobicContact CG2-CG2 4.22Å
439	Q	54	Low	79.9	Confident	18 Å²	18	13.6 Å²	13.6	8%	0.084	7%	0.069	C	C	.	.	S	Bend	trans	-120.3	-31.9	176.7	-66.5	-173.9	-10.4	0	0	114.3	T436 E444 N756 A758	T436-Q439 PolarHBondContact OG1-NE2 2.82Å; T436-Q439 VanDerWaalsContact OG1-NE2 3.07Å; Q439-E444 WeakPolarHBondContact CA-OE2 3.35Å; Q439-E444 PolarHBondContact N-OE2 2.91Å; Q439-N756 PolarHBondContact OE1-ND2 3.1Å; Q439-A758 HydrophobicContact CG-CB 4.42Å
440	N	58.3	Low	79.8	Confident	38 Å²	38	14.6 Å²	14.6	20%	0.203	8%	0.075	C	C	.	.	S	Bend	trans	-143.9	-41.8	-174	-57.1	-87.2	0	0	0	114.5	K412 E444 K798	K412-N440 PolarHBondContact NZ-ND2 3.26Å; K412-N440 VanDerWaalsContact NZ-ND2 3.18Å; N440-E444 PolarHBondContact N-OE2 2.66Å; N440-E444 PolarHBondContact ND2-OE1 3.29Å; N440-K798 PolarHBondContact OD1-NZ 3.4Å
441	N	69.4	Low	79.5	Confident	46 Å²	46	14.7 Å²	14.7	25%	0.246	8%	0.075	C	C	.	.			trans	-152.3	151.5	-161.2	-164.9	-72.4	0	0	0	113.2	K443 E444 L445	N441-K443 PolarHBondContact O-N 2.77Å; N441-K443 WeakPolarHBondContact OD1-CB 3.46Å; N441-K443 WeakPolarHBondContact OD1-CD 3.05Å; N441-K443 VanDerWaalsContact OD1-CG 3.23Å; N441-K443 WeakPolarHBondContact OD1-CG 3.39Å; N441-K443 PolarHBondContact OD1-N 2.88Å; N441-E444 VanDerWaalsContact O-CB 3.29Å; N441-E444 WeakPolarHBondContact O-CB 3.32Å; N441-E444 PolarHBondContact O-N 2.84Å; N441-L445 PolarHBondContact O-N 3.47Å
442	L	78.1	Confident	79.2	Confident	11 Å²	11	14.8 Å²	14.8	6%	0.058	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-26.1	174.5	-67	169.5	0	0	0	112.9	E444 L445 W446 F464 I472 L495 T805	L442-E444 VanDerWaalsContact C-N 3.29Å; L442-E444 PolarHBondContact O-N 2.6Å; L442-L445 HydrophobicContact CD2-CD2 4.21Å; L442-L445 WeakPolarHBondContact O-CB 3.42Å; L442-L445 PolarHBondContact O-N 3.44Å; L442-W446 PolarHBondContact O-N 3.12Å; L442-F464 HydrophobicContact CB-CE1 4.09Å; L442-F464 HydrophobicContact CB-CZ 4.28Å; L442-I472 HydrophobicContact CD1-CB 3.79Å; L442-I472 HydrophobicContact CD1-CD1 3.91Å; L442-I472 HydrophobicContact CD1-CG1 4.44Å; L442-I472 HydrophobicContact CD1-CG2 3.82Å; L442-L495 HydrophobicContact CD2-CD2 4.22Å; L442-T805 HydrophobicContact CD2-CG2 4.47Å
443	K	80.8	Confident	78.9	Confident	76 Å²	76	15.3 Å²	15.3	33%	0.33	8%	0.079	S	C	.	.	H	α-helix	trans	-61.4	-34	170.3	-64.7	166.7	-168.6	171.4	0	112.9	N441 S447 D469	N441-K443 PolarHBondContact O-N 2.77Å; N441-K443 WeakPolarHBondContact OD1-CB 3.46Å; N441-K443 WeakPolarHBondContact OD1-CD 3.05Å; N441-K443 VanDerWaalsContact OD1-CG 3.23Å; N441-K443 WeakPolarHBondContact OD1-CG 3.39Å; N441-K443 PolarHBondContact OD1-N 2.88Å; K443-S447 PolarHBondContact O-N 3.21Å; K443-S447 VanDerWaalsContact O-N 3.1Å; K443-D469 WeakPolarHBondContact CE-OD2 3.43Å
444	E	81.1	Confident	78.2	Confident	18 Å²	18	18 Å²	18	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-46.4	172.4	-62.7	-179.8	152	0	0	109.9	K412 Q439 N440 N441 L442 W446 S447 L448	K412-E444 HydrophobicContact CB-CB 4.13Å; K412-E444 HydrophobicContact CB-CG 4.17Å; K412-E444 HydrophobicContact CD-CG 4.34Å; K412-E444 VanDerWaalsContact CD-OE1 3.29Å; K412-E444 WeakPolarHBondContact CD-OE1 3.35Å; K412-E444 VanDerWaalsContact CE-OE1 3.23Å; K412-E444 WeakPolarHBondContact CE-OE1 3.38Å; K412-E444 HydrophobicContact CG-CG 4.37Å; K412-E444 IonicContact NZ-OE1 2.75Å; K412-E444 PolarHBondContact NZ-OE1 3.47Å; K412-E444 WeakPolarHBondContact O-CA 3.3Å; Q439-E444 WeakPolarHBondContact CA-OE2 3.35Å; Q439-E444 PolarHBondContact N-OE2 2.91Å; N440-E444 PolarHBondContact N-OE2 2.66Å; N440-E444 PolarHBondContact ND2-OE1 3.29Å; N441-E444 VanDerWaalsContact O-CB 3.29Å; N441-E444 WeakPolarHBondContact O-CB 3.32Å; N441-E444 PolarHBondContact O-N 2.84Å; L442-E444 VanDerWaalsContact C-N 3.29Å; L442-E444 PolarHBondContact O-N 2.6Å; E444-W446 PolarHBondContact O-N 3.34Å; E444-S447 VanDerWaalsContact O-CB 3.32Å; E444-S447 WeakPolarHBondContact O-CB 3.42Å; E444-S447 PolarHBondContact O-N 3.19Å; E444-S447 VanDerWaalsContact O-N 3.08Å; E444-L448 WeakPolarHBondContact O-CG 3.44Å; E444-L448 PolarHBondContact O-N 2.83Å
445	L	83.6	Confident	77.5	Confident	3 Å²	3	18.2 Å²	18.2	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-44.7	178.3	-172.6	64.5	0	0	0	111.7	V438 N441 L442 S447 L448 Y449 L495 I499	V438-L445 HydrophobicContact CG2-CB 4.2Å; V438-L445 HydrophobicContact CG2-CD1 3.8Å; V438-L445 HydrophobicContact CG2-CG 4.42Å; N441-L445 PolarHBondContact O-N 3.47Å; L442-L445 HydrophobicContact CD2-CD2 4.21Å; L442-L445 WeakPolarHBondContact O-CB 3.42Å; L442-L445 PolarHBondContact O-N 3.44Å; L445-S447 VanDerWaalsContact C-N 3.34Å; L445-S447 PolarHBondContact O-N 2.93Å; L445-L448 PolarHBondContact O-N 2.9Å; L445-Y449 HydrophobicContact CD1-CD2 4.02Å; L445-Y449 HydrophobicContact CD1-CE2 3.54Å; L445-Y449 HydrophobicContact CG-CD2 4.06Å; L445-Y449 HydrophobicContact CG-CE2 3.95Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.93Å; L445-L495 HydrophobicContact CD2-CD2 4.5Å; L445-I499 HydrophobicContact CD2-CD1 4.16Å
446	W	87.9	Confident	77.6	Confident	15 Å²	15	22.2 Å²	22.2	6%	0.057	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-41.4	173	179.2	88.8	0	0	0	112.1	L442 E444 L448 Y449 N450 G459 Q461 F464	L442-W446 PolarHBondContact O-N 3.12Å; E444-W446 PolarHBondContact O-N 3.34Å; W446-L448 VanDerWaalsContact C-N 3.34Å; W446-L448 PolarHBondContact O-N 2.94Å; W446-Y449 PolarHBondContact O-N 2.82Å; W446-N450 HydrophobicContact CD2-CB 4.36Å; W446-N450 HydrophobicContact CE3-CB 4.39Å; W446-N450 HydrophobicContact CH2-CB 4.13Å; W446-N450 WeakPolarHBondContact CH2-ND2 3.29Å; W446-N450 HydrophobicContact CZ2-CB 4.07Å; W446-N450 HydrophobicContact CZ3-CB 4.29Å; W446-N450 WeakPolarHBondContact O-CB 3.23Å; W446-N450 PolarHBondContact O-N 2.84Å; W446-G459 PolarHBondContact NE1-O 3.42Å; W446-Q461 HydrophobicContact CD2-CB 4.16Å; W446-Q461 HydrophobicContact CD2-CG 4.08Å; W446-Q461 HydrophobicContact CE3-CB 4Å; W446-Q461 HydrophobicContact CE3-CG 3.72Å; W446-Q461 HydrophobicContact CH2-CB 3.61Å; W446-Q461 HydrophobicContact CH2-CG 4.21Å; W446-Q461 HydrophobicContact CZ2-CB 3.78Å; W446-Q461 HydrophobicContact CZ3-CB 3.73Å; W446-Q461 HydrophobicContact CZ3-CG 3.78Å; W446-F464 HydrophobicContact CB-CD1 3.7Å; W446-F464 HydrophobicContact CB-CE1 3.75Å; W446-F464 HydrophobicContact CB-CG 4.18Å; W446-F464 HydrophobicContact CB-CZ 4.26Å; W446-F464 AromaticContact CD1-CD1 3.84Å; W446-F464 AromaticContact CD1-CD2 3.91Å; W446-F464 AromaticContact CD1-CG 3.46Å; W446-F464 VanDerWaalsContact CD1-CG 3.46Å; W446-F464 HydrophobicContact CG-CB 4.32Å; W446-F464 AromaticContact CG-CD1 3.93Å; W446-F464 HydrophobicContact CG-CD1 3.93Å; W446-F464 HydrophobicContact CG-CE1 4.46Å; W446-F464 HydrophobicContact CG-CG 4.03Å
447	S	87.6	Confident	78.2	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-43.4	176	-166.7	0	0	0	0	111.8	V411 K412 S414 K443 E444 L445 N450 V451	V411-S447 PolarHBondContact O-OG 2.91Å; K412-S447 WeakPolarHBondContact O-CB 3.23Å; K412-S447 PolarHBondContact O-OG 3.22Å; S414-S447 PolarHBondContact N-OG 2.83Å; K443-S447 PolarHBondContact O-N 3.21Å; K443-S447 VanDerWaalsContact O-N 3.1Å; E444-S447 VanDerWaalsContact O-CB 3.32Å; E444-S447 WeakPolarHBondContact O-CB 3.42Å; E444-S447 PolarHBondContact O-N 3.19Å; E444-S447 VanDerWaalsContact O-N 3.08Å; L445-S447 VanDerWaalsContact C-N 3.34Å; L445-S447 PolarHBondContact O-N 2.93Å; S447-N450 PolarHBondContact O-N 2.83Å; S447-V451 VanDerWaalsContact O-CG2 3.32Å; S447-V451 WeakPolarHBondContact O-CG2 3.32Å; S447-V451 PolarHBondContact O-N 3.48Å
448	L	88.5	Confident	79.4	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-64.7	-42.5	178.5	-60.6	172.9	0	0	0	112.3	I269 G408 V411 L432 E444 L445 W446 V451 T452	I269-L448 HydrophobicContact CD1-CB 3.94Å; G408-L448 WeakPolarHBondContact O-CD2 3.34Å; V411-L448 HydrophobicContact CG2-CD2 4.24Å; L432-L448 HydrophobicContact CD1-CB 4.45Å; L432-L448 HydrophobicContact CD1-CD2 3.62Å; L432-L448 HydrophobicContact CD2-CD2 4.21Å; E444-L448 WeakPolarHBondContact O-CG 3.44Å; E444-L448 PolarHBondContact O-N 2.83Å; L445-L448 PolarHBondContact O-N 2.9Å; W446-L448 VanDerWaalsContact C-N 3.34Å; W446-L448 PolarHBondContact O-N 2.94Å; L448-V451 PolarHBondContact O-N 3.29Å; L448-T452 PolarHBondContact O-N 3.48Å; L448-T452 PolarHBondContact O-OG1 2.97Å; L448-T452 VanDerWaalsContact O-OG1 3.11Å
449	Y	88.7	Confident	80.5	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-72.9	-35.5	176	-78.1	-65	0	0	0	113.4	I269 L445 W446 V451 T452 H453 L457 L458 I499 F503	I269-Y449 HydrophobicContact CD1-CD1 4.3Å; I269-Y449 HydrophobicContact CD1-CD2 4.48Å; I269-Y449 HydrophobicContact CD1-CE1 3.82Å; I269-Y449 HydrophobicContact CD1-CE2 4.03Å; I269-Y449 HydrophobicContact CG1-CE1 4.2Å; L445-Y449 HydrophobicContact CD1-CD2 4.02Å; L445-Y449 HydrophobicContact CD1-CE2 3.54Å; L445-Y449 HydrophobicContact CG-CD2 4.06Å; L445-Y449 HydrophobicContact CG-CE2 3.95Å; L445-Y449 WeakPolarHBondContact O-CD2 3.37Å; L445-Y449 PolarHBondContact O-N 2.93Å; W446-Y449 PolarHBondContact O-N 2.82Å; Y449-V451 VanDerWaalsContact C-N 3.29Å; Y449-V451 PolarHBondContact O-N 3.03Å; Y449-T452 WeakPolarHBondContact CA-OG1 3.34Å; Y449-T452 PolarHBondContact O-N 3.38Å; Y449-T452 PolarHBondContact O-OG1 3.45Å; Y449-H453 AromaticContact CD1-ND1 3.98Å; Y449-H453 WeakPolarHBondContact O-CB 3.34Å; Y449-H453 PolarHBondContact O-N 3.11Å; Y449-L457 HydrophobicContact CD1-CD2 3.55Å; Y449-L457 HydrophobicContact CE1-CD2 4.11Å; Y449-L457 HydrophobicContact CG-CD2 4.06Å; Y449-L458 HydrophobicContact CD2-CD1 3.85Å; Y449-L458 HydrophobicContact CG-CD1 4.03Å; Y449-I499 HydrophobicContact CD2-CG2 4.12Å; Y449-I499 HydrophobicContact CE1-CB 4.44Å; Y449-I499 HydrophobicContact CE2-CB 3.89Å; Y449-I499 HydrophobicContact CE2-CD1 4.35Å; Y449-I499 HydrophobicContact CE2-CG2 3.67Å; Y449-F503 WeakPolarHBondContact OH-CB 3.28Å
450	N	88.9	Confident	82	Confident	25 Å²	25	23.3 Å²	23.3	13%	0.134	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-40	173.4	-176.3	21	0	0	0	111.1	Q423 W446 S447 R454 G455	Q423-N450 PolarHBondContact NE2-ND2 2.99Å; Q423-N450 VanDerWaalsContact NE2-ND2 3.2Å; W446-N450 HydrophobicContact CD2-CB 4.36Å; W446-N450 HydrophobicContact CE3-CB 4.39Å; W446-N450 HydrophobicContact CH2-CB 4.13Å; W446-N450 WeakPolarHBondContact CH2-ND2 3.29Å; W446-N450 HydrophobicContact CZ2-CB 4.07Å; W446-N450 HydrophobicContact CZ3-CB 4.29Å; W446-N450 WeakPolarHBondContact O-CB 3.23Å; W446-N450 PolarHBondContact O-N 2.84Å; S447-N450 PolarHBondContact O-N 2.83Å; N450-R454 CarbonylContact O-C 3.53Å; N450-R454 WeakPolarHBondContact O-CA 3.36Å; N450-R454 PolarHBondContact O-N 2.87Å; N450-G455 PolarHBondContact O-N 2.99Å; N450-G455 VanDerWaalsContact O-N 3.1Å; N450-G455 WeakPolarHBondContact OD1-CA 3.38Å; N450-G455 PolarHBondContact OD1-N 3.25Å; N450-G455 VanDerWaalsContact OD1-N 3.09Å
451	V	87.9	Confident	83.3	Confident	6 Å²	6	25.6 Å²	25.6	4%	0.036	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-53.6	171.9	175.6	0	0	0	0	111.8	L405 V411 T419 A422 Q423 S447 L448 Y449 H453	L405-V451 HydrophobicContact CD1-CG1 3.52Å; V411-V451 HydrophobicContact CB-CG2 4.47Å; V411-V451 HydrophobicContact CG2-CG2 4.35Å; T419-V451 HydrophobicContact CG2-CG2 3.78Å; A422-V451 HydrophobicContact CB-CG1 4.46Å; Q423-V451 HydrophobicContact CG-CG2 3.92Å; S447-V451 VanDerWaalsContact O-CG2 3.32Å; S447-V451 WeakPolarHBondContact O-CG2 3.32Å; S447-V451 PolarHBondContact O-N 3.48Å; L448-V451 PolarHBondContact O-N 3.29Å; Y449-V451 VanDerWaalsContact C-N 3.29Å; Y449-V451 PolarHBondContact O-N 3.03Å; V451-H453 VanDerWaalsContact C-N 3.31Å; V451-H453 PolarHBondContact O-N 3.41Å
452	T	88.4	Confident	84.1	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-67.5	-28.1	-173.9	51.6	0	0	0	0	114.3	I269 L432 L448 Y449	I269-T452 HydrophobicContact CG1-CG2 4.25Å; L432-T452 HydrophobicContact CB-CG2 3.67Å; L432-T452 HydrophobicContact CD1-CG2 4.43Å; L448-T452 PolarHBondContact O-N 3.48Å; L448-T452 PolarHBondContact O-OG1 2.97Å; L448-T452 VanDerWaalsContact O-OG1 3.11Å; Y449-T452 WeakPolarHBondContact CA-OG1 3.34Å; Y449-T452 PolarHBondContact O-N 3.38Å; Y449-T452 PolarHBondContact O-OG1 3.45Å
453	H	87.4	Confident	84.5	Confident	10 Å²	10	32.2 Å²	32.2	5%	0.046	15%	0.149	C	C	.	.	H	α-helix	trans	-116.7	8.9	-175.8	-68.8	72.3	0	0	0	113.9	Y449 V451 G455 R456 L457 Y502	Y449-H453 AromaticContact CD1-ND1 3.98Å; Y449-H453 WeakPolarHBondContact O-CB 3.34Å; Y449-H453 PolarHBondContact O-N 3.11Å; V451-H453 VanDerWaalsContact C-N 3.31Å; V451-H453 PolarHBondContact O-N 3.41Å; H453-G455 VanDerWaalsContact C-N 3.27Å; H453-G455 PolarHBondContact O-N 3.21Å; H453-R456 WeakPolarHBondContact O-CB 3.45Å; H453-R456 WeakPolarHBondContact O-CG 3.4Å; H453-R456 PolarHBondContact O-N 2.81Å; H453-L457 HydrophobicContact CB-CB 3.95Å; H453-Y502 AromaticContact CE1-CG 3.93Å; H453-Y502 AromaticContact NE2-CD1 3.49Å; H453-Y502 WeakPolarHBondContact NE2-CD1 3.41Å; H453-Y502 AromaticContact NE2-CE1 3.82Å; H453-Y502 AromaticContact NE2-CG 3.73Å
454	R	79.1	Confident	84.8	Confident	58 Å²	58	28.7 Å²	28.7	22%	0.219	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	47.6	-172.2	-63.1	-161.5	-176	81.2	28.4	113.6	I425 A427 N450 R456	I425-R454 PolarHBondContact O-NE 2.87Å; I425-R454 PolarHBondContact O-NH2 3.45Å; A427-R454 VanDerWaalsContact O-CZ 3.26Å; A427-R454 PolarHBondContact O-NH1 3.17Å; A427-R454 PolarHBondContact O-NH2 3.35Å; N450-R454 CarbonylContact O-C 3.53Å; N450-R454 WeakPolarHBondContact O-CA 3.36Å; N450-R454 PolarHBondContact O-N 2.87Å; R454-R456 PolarHBondContact O-N 2.85Å
455	G	72.6	Confident	85.1	Confident	4 Å²	4	29 Å²	29	4%	0.041	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	19.5	179.1	0	0	0	0	0	115.3	N450 H453	N450-G455 PolarHBondContact O-N 2.99Å; N450-G455 VanDerWaalsContact O-N 3.1Å; N450-G455 WeakPolarHBondContact OD1-CA 3.38Å; N450-G455 PolarHBondContact OD1-N 3.25Å; N450-G455 VanDerWaalsContact OD1-N 3.09Å; H453-G455 VanDerWaalsContact C-N 3.27Å; H453-G455 PolarHBondContact O-N 3.21Å
456	R	76.2	Confident	85.2	Confident	91 Å²	91	33.5 Å²	33.5	34%	0.343	16%	0.161	S	C	.	.	S	Bend	trans	-87.2	-11.7	-179.8	-59.9	179.1	170.5	173.6	-3	114.9	H453 R454 C919 R924	H453-R456 WeakPolarHBondContact O-CB 3.45Å; H453-R456 WeakPolarHBondContact O-CG 3.4Å; H453-R456 PolarHBondContact O-N 2.81Å; R454-R456 PolarHBondContact O-N 2.85Å; R456-C919 VanDerWaalsContact C-SG 3.54Å; R456-C919 PolarHBondContact O-SG 3.01Å; R456-R924 WeakPolarHBondContact CB-O 3.47Å; R456-R924 WeakPolarHBondContact CD-O 3.36Å; R456-R924 HydrophobicContact CG-CB 3.85Å; R456-R924 HydrophobicContact CG-CG 3.96Å; R456-R924 WeakPolarHBondContact CG-O 3.32Å
457	L	83.5	Confident	85.1	Confident	25 Å²	25	35.5 Å²	35.5	13%	0.131	17%	0.171	C	C	.	.	S	Bend	trans	-103.5	-41.6	-170	-173.6	66.8	0	0	0	114.5	Y449 H453 I498 Y502	Y449-L457 HydrophobicContact CD1-CD2 3.55Å; Y449-L457 HydrophobicContact CE1-CD2 4.11Å; Y449-L457 HydrophobicContact CG-CD2 4.06Å; H453-L457 HydrophobicContact CB-CB 3.95Å; L457-I498 HydrophobicContact CD1-CG2 3.85Å; L457-I498 HydrophobicContact CG-CG2 4.11Å; L457-Y502 HydrophobicContact CD1-CD2 4.26Å; L457-Y502 HydrophobicContact CD1-CE2 3.87Å; L457-Y502 HydrophobicContact CD2-CD2 4.12Å
458	L	85.2	Confident	85	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-123.1	19.9	-169.1	-60.7	-179.2	0	0	0	113.8	Y449 F464 L495 I498 I499	Y449-L458 HydrophobicContact CD2-CD1 3.85Å; Y449-L458 HydrophobicContact CG-CD1 4.03Å; L458-F464 HydrophobicContact CB-CD2 4.11Å; L458-F464 HydrophobicContact CD1-CD2 4.32Å; L458-F464 HydrophobicContact CD1-CE2 4.05Å; L458-L495 HydrophobicContact CD2-CD1 3.87Å; L458-I498 HydrophobicContact CD2-CG2 3.97Å; L458-I499 HydrophobicContact CD2-CG2 4.32Å
459	G	83	Confident	84.8	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	17%	0.17	C	C	.	.			trans	60.3	-163.5	-176.8	0	0	0	0	0	113.5	W446 E918	W446-G459 PolarHBondContact NE1-O 3.42Å; G459-E918 VanDerWaalsContact CA-OE2 3.3Å; G459-E918 WeakPolarHBondContact CA-OE2 3.24Å
460	T	85.7	Confident	84.7	Confident	44 Å²	44	41.4 Å²	41.4	27%	0.27	20%	0.196	S	C	.	.			trans	-78.5	158.8	175.6	67.2	0	0	0	0	112	K462 T463 F464 E918	T460-K462 PolarHBondContact O-N 3.06Å; T460-T463 PolarHBondContact O-N 2.65Å; T460-T463 VanDerWaalsContact O-N 3.14Å; T460-T463 PolarHBondContact OG1-OG1 2.98Å; T460-F464 PolarHBondContact O-N 2.85Å; T460-E918 WeakPolarHBondContact CB-OE1 3.35Å; T460-E918 WeakPolarHBondContact CG2-OE1 3.32Å; T460-E918 PolarHBondContact N-OE2 3.39Å; T460-E918 PolarHBondContact OG1-OE1 3.13Å
461	Q	85.8	Confident	84.4	Confident	86 Å²	86	41.3 Å²	41.3	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-56.8	-26.6	-179.1	-158.8	179.8	12	0	0	113.1	W446 S465	W446-Q461 HydrophobicContact CD2-CB 4.16Å; W446-Q461 HydrophobicContact CD2-CG 4.08Å; W446-Q461 HydrophobicContact CE3-CB 4Å; W446-Q461 HydrophobicContact CE3-CG 3.72Å; W446-Q461 HydrophobicContact CH2-CB 3.61Å; W446-Q461 HydrophobicContact CH2-CG 4.21Å; W446-Q461 HydrophobicContact CZ2-CB 3.78Å; W446-Q461 HydrophobicContact CZ3-CB 3.73Å; W446-Q461 HydrophobicContact CZ3-CG 3.78Å; Q461-S465 WeakPolarHBondContact O-CB 3.38Å; Q461-S465 PolarHBondContact O-N 2.94Å
462	K	86	Confident	84.2	Confident	168 Å²	168	41.1 Å²	41.1	73%	0.73	20%	0.196	S	C	*	.	H	α-helix	trans	-73.7	-50.5	177.7	-68.6	-178.4	179	178.4	0	111.1	T460 S465 I466	T460-K462 PolarHBondContact O-N 3.06Å; K462-S465 PolarHBondContact O-N 2.87Å; K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.84Å
463	T	85.9	Confident	83.8	Confident	27 Å²	27	43.4 Å²	43.4	17%	0.166	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-53.8	175.7	-45.2	0	0	0	0	110.1	T460 S465 I466 E467 A914 I915 E918	T460-T463 PolarHBondContact O-N 2.65Å; T460-T463 VanDerWaalsContact O-N 3.14Å; T460-T463 PolarHBondContact OG1-OG1 2.98Å; T463-S465 VanDerWaalsContact C-N 3.25Å; T463-S465 PolarHBondContact O-N 2.93Å; T463-I466 PolarHBondContact O-N 2.85Å; T463-I466 VanDerWaalsContact O-N 3.09Å; T463-E467 HydrophobicContact CG2-CG 4.29Å; T463-E467 WeakPolarHBondContact O-CG 3.33Å; T463-E467 PolarHBondContact O-N 2.86Å; T463-A914 HydrophobicContact CG2-CB 4.46Å; T463-I915 HydrophobicContact CG2-CG1 4.11Å; T463-E918 VanDerWaalsContact CB-OE2 3.23Å; T463-E918 WeakPolarHBondContact CB-OE2 3.41Å; T463-E918 VanDerWaalsContact OG1-CD 3.23Å; T463-E918 PolarHBondContact OG1-OE1 3.31Å; T463-E918 PolarHBondContact OG1-OE2 2.81Å
464	F	88.8	Confident	83.3	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-38.4	176	-177.6	-95.5	0	0	0	112.9	L442 W446 L458 T460 I466 Y468 D469 L495	L442-F464 HydrophobicContact CB-CE1 4.09Å; L442-F464 HydrophobicContact CB-CZ 4.28Å; W446-F464 HydrophobicContact CB-CD1 3.7Å; W446-F464 HydrophobicContact CB-CE1 3.75Å; W446-F464 HydrophobicContact CB-CG 4.18Å; W446-F464 HydrophobicContact CB-CZ 4.26Å; W446-F464 AromaticContact CD1-CD1 3.84Å; W446-F464 AromaticContact CD1-CD2 3.91Å; W446-F464 AromaticContact CD1-CG 3.46Å; W446-F464 VanDerWaalsContact CD1-CG 3.46Å; W446-F464 HydrophobicContact CG-CB 4.32Å; W446-F464 AromaticContact CG-CD1 3.93Å; W446-F464 HydrophobicContact CG-CD1 3.93Å; W446-F464 HydrophobicContact CG-CE1 4.46Å; W446-F464 HydrophobicContact CG-CG 4.03Å; L458-F464 HydrophobicContact CB-CD2 4.11Å; L458-F464 HydrophobicContact CD1-CD2 4.32Å; L458-F464 HydrophobicContact CD1-CE2 4.05Å; T460-F464 PolarHBondContact O-N 2.85Å; F464-I466 VanDerWaalsContact C-N 3.35Å; F464-Y468 HydrophobicContact CD2-CD2 4.16Å; F464-Y468 HydrophobicContact CD2-CG 4.43Å; F464-Y468 HydrophobicContact CE2-CD2 4.42Å; F464-Y468 HydrophobicContact CE2-CG 4.27Å; F464-Y468 PolarHBondContact O-N 2.71Å; F464-D469 HydrophobicContact CD1-CB 4.49Å; F464-D469 HydrophobicContact CE1-CB 4.38Å; F464-D469 PolarHBondContact O-N 3.18Å; F464-D469 VanDerWaalsContact O-N 3.07Å; F464-L495 HydrophobicContact CE2-CD1 3.87Å; F464-L495 HydrophobicContact CE2-CD2 4.09Å; F464-L495 HydrophobicContact CZ-CD2 4.08Å
465	S	86.8	Confident	83.1	Confident	25 Å²	25	43.8 Å²	43.8	18%	0.175	21%	0.212	C	C	.	.	I	π-helix	trans	-72.6	-27.7	-179.6	-170.8	0	0	0	0	113.4	Q461 K462 T463 D469 K470	Q461-S465 WeakPolarHBondContact O-CB 3.38Å; Q461-S465 PolarHBondContact O-N 2.94Å; K462-S465 PolarHBondContact O-N 2.87Å; T463-S465 VanDerWaalsContact C-N 3.25Å; T463-S465 PolarHBondContact O-N 2.93Å; S465-D469 VanDerWaalsContact CA-CB 3.49Å; S465-D469 PolarHBondContact OG-OD2 2.91Å; S465-K470 WeakPolarHBondContact O-CB 3.47Å; S465-K470 WeakPolarHBondContact O-CD 3.49Å; S465-K470 WeakPolarHBondContact O-CG 3.5Å; S465-K470 PolarHBondContact O-N 3.41Å; S465-K470 VanDerWaalsContact O-N 3.13Å
466	I	86.2	Confident	82.8	Confident	98 Å²	98	46 Å²	46	50%	0.503	22%	0.219	S	C	.	.	I	π-helix	trans	-81.1	-47.2	176.5	-67.2	166.9	0	0	0	110.9	K462 T463 F464 P471	K462-I466 WeakPolarHBondContact O-CG1 3.45Å; K462-I466 PolarHBondContact O-N 2.84Å; T463-I466 PolarHBondContact O-N 2.85Å; T463-I466 VanDerWaalsContact O-N 3.09Å; F464-I466 VanDerWaalsContact C-N 3.35Å; I466-P471 VanDerWaalsContact O-CD 3.28Å; I466-P471 WeakPolarHBondContact O-CD 3.46Å
467	E	84.8	Confident	82.4	Confident	56 Å²	56	45.3 Å²	45.3	26%	0.262	22%	0.22	S	C	.	.	I	π-helix	trans	-82.2	-32.2	-171.7	-59.3	-51.6	133.4	0	0	113.8	T463 P471 A911	T463-E467 HydrophobicContact CG2-CG 4.29Å; T463-E467 WeakPolarHBondContact O-CG 3.33Å; T463-E467 PolarHBondContact O-N 2.86Å; E467-P471 WeakPolarHBondContact O-CG 3.19Å; E467-A911 HydrophobicContact CB-CB 3.82Å; E467-A911 HydrophobicContact CG-CB 4.21Å
468	Y	85.9	Confident	81.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-122.4	-55.9	-174	-67.1	-86.5	0	0	0	113.9	F464 K470 P471 I472 M491 S494 L495 A911 I915	F464-Y468 HydrophobicContact CD2-CD2 4.16Å; F464-Y468 HydrophobicContact CD2-CG 4.43Å; F464-Y468 HydrophobicContact CE2-CD2 4.42Å; F464-Y468 HydrophobicContact CE2-CG 4.27Å; F464-Y468 PolarHBondContact O-N 2.71Å; Y468-K470 PolarHBondContact O-N 3.2Å; Y468-P471 WeakPolarHBondContact O-CD 3.46Å; Y468-I472 HydrophobicContact CD1-CD1 4.37Å; Y468-I472 VanDerWaalsContact O-CB 3.28Å; Y468-I472 WeakPolarHBondContact O-CB 3.4Å; Y468-I472 WeakPolarHBondContact O-CD1 3.34Å; Y468-I472 WeakPolarHBondContact O-CG1 3.41Å; Y468-I472 PolarHBondContact O-N 2.9Å; Y468-M491 HydrophobicContact CD1-CB 4.3Å; Y468-M491 WeakPolarHBondContact CD1-O 3.23Å; Y468-S494 PolarHBondContact OH-OG 3.46Å; Y468-L495 HydrophobicContact CD1-CB 3.71Å; Y468-L495 HydrophobicContact CD1-CD1 4.4Å; Y468-L495 HydrophobicContact CD1-CD2 4.41Å; Y468-L495 HydrophobicContact CD1-CG 4.39Å; Y468-L495 HydrophobicContact CE1-CB 3.87Å; Y468-A911 HydrophobicContact CE2-CB 3.99Å; Y468-I915 HydrophobicContact CD2-CD1 4.06Å; Y468-I915 HydrophobicContact CE2-CD1 3.5Å
469	D	84.6	Confident	80.8	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	27%	0.266	C	S	.	.	I	π-helix	trans	-54.9	-51.5	-175	-172.7	34.6	0	0	0	112.2	K443 F464 S465 T473	K443-D469 WeakPolarHBondContact CE-OD2 3.43Å; F464-D469 HydrophobicContact CD1-CB 4.49Å; F464-D469 HydrophobicContact CE1-CB 4.38Å; F464-D469 PolarHBondContact O-N 3.18Å; F464-D469 VanDerWaalsContact O-N 3.07Å; S465-D469 VanDerWaalsContact CA-CB 3.49Å; S465-D469 PolarHBondContact OG-OD2 2.91Å; D469-T473 WeakPolarHBondContact O-CB 3.37Å; D469-T473 PolarHBondContact O-N 3.14Å; D469-T473 PolarHBondContact O-OG1 3.36Å
470	K	85.1	Confident	80.2	Confident	127 Å²	127	56.2 Å²	56.2	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-69.8	-50.3	-178.7	-75.8	171.2	-174	179.6	0	113.6	S465 Y468 I472 T473 R474	S465-K470 WeakPolarHBondContact O-CB 3.47Å; S465-K470 WeakPolarHBondContact O-CD 3.49Å; S465-K470 WeakPolarHBondContact O-CG 3.5Å; S465-K470 PolarHBondContact O-N 3.41Å; S465-K470 VanDerWaalsContact O-N 3.13Å; Y468-K470 PolarHBondContact O-N 3.2Å; K470-I472 PolarHBondContact O-N 3.46Å; K470-T473 PolarHBondContact O-N 3.32Å; K470-R474 VanDerWaalsContact O-CB 3.3Å; K470-R474 WeakPolarHBondContact O-CB 3.49Å; K470-R474 PolarHBondContact O-N 2.88Å
471	P	84.1	Confident	79.8	Confident	22 Å²	22	57.7 Å²	57.7	14%	0.143	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-40.3	178.7	-27.2	37.7	0	0	0	113.2	I466 E467 Y468 G475 G488 M491	I466-P471 VanDerWaalsContact O-CD 3.28Å; I466-P471 WeakPolarHBondContact O-CD 3.46Å; E467-P471 WeakPolarHBondContact O-CG 3.19Å; Y468-P471 WeakPolarHBondContact O-CD 3.46Å; P471-G475 PolarHBondContact O-N 3.41Å; P471-G488 VanDerWaalsContact O-CA 3.3Å; P471-G488 WeakPolarHBondContact O-CA 3.49Å; P471-M491 HydrophobicContact CB-CG 3.77Å; P471-M491 HydrophobicContact CG-CG 4.38Å
472	I	82.8	Confident	79.1	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	28%	0.281	C	S	.	.	H	α-helix	trans	-68.3	-39.2	177.9	-59.9	167.6	0	0	0	110.6	L442 Y468 K470 R476 M491 A492 L495	L442-I472 HydrophobicContact CD1-CB 3.79Å; L442-I472 HydrophobicContact CD1-CD1 3.91Å; L442-I472 HydrophobicContact CD1-CG1 4.44Å; L442-I472 HydrophobicContact CD1-CG2 3.82Å; Y468-I472 HydrophobicContact CD1-CD1 4.37Å; Y468-I472 VanDerWaalsContact O-CB 3.28Å; Y468-I472 WeakPolarHBondContact O-CB 3.4Å; Y468-I472 WeakPolarHBondContact O-CD1 3.34Å; Y468-I472 WeakPolarHBondContact O-CG1 3.41Å; Y468-I472 PolarHBondContact O-N 2.9Å; K470-I472 PolarHBondContact O-N 3.46Å; I472-R476 WeakPolarHBondContact O-CD 3.38Å; I472-R476 VanDerWaalsContact O-CG 3.31Å; I472-R476 WeakPolarHBondContact O-CG 3.22Å; I472-R476 PolarHBondContact O-N 3.16Å; I472-M491 HydrophobicContact CD1-CB 4.18Å; I472-M491 HydrophobicContact CG1-CB 3.72Å; I472-A492 HydrophobicContact CD1-CB 4.05Å; I472-A492 HydrophobicContact CG1-CB 4.14Å; I472-A492 HydrophobicContact CG2-CB 4.28Å; I472-L495 HydrophobicContact CD1-CD2 4.11Å
473	T	80	Confident	78.4	Confident	53 Å²	53	54.2 Å²	54.2	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-48.3	175.8	-58.3	0	0	0	0	111.4	D469 K470 G475 R476 E477	D469-T473 WeakPolarHBondContact O-CB 3.37Å; D469-T473 PolarHBondContact O-N 3.14Å; D469-T473 PolarHBondContact O-OG1 3.36Å; K470-T473 PolarHBondContact O-N 3.32Å; T473-G475 VanDerWaalsContact C-N 3.35Å; T473-G475 PolarHBondContact O-N 3.41Å; T473-R476 WeakPolarHBondContact O-CA 3Å; T473-R476 WeakPolarHBondContact O-CB 3.48Å; T473-R476 PolarHBondContact O-N 3.25Å; T473-E477 PolarHBondContact O-N 2.76Å
474	R	77.7	Confident	78.2	Confident	74 Å²	74	55.5 Å²	55.5	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-41.9	179	-178.7	55.7	-176.9	162	13.7	111.7	K470 R476 E477 D479 A480 E484	K470-R474 VanDerWaalsContact O-CB 3.3Å; K470-R474 WeakPolarHBondContact O-CB 3.49Å; K470-R474 PolarHBondContact O-N 2.88Å; R474-R476 PolarHBondContact O-N 3.45Å; R474-R476 VanDerWaalsContact O-N 3.09Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.09Å; R474-E477 IonicContact NE-OE2 2.7Å; R474-E477 IonicContact NH1-OE2 3.69Å; R474-E477 PolarHBondContact NH1-OE2 2.98Å; R474-E477 PolarHBondContact O-N 2.91Å; R474-E477 VanDerWaalsContact O-N 3.15Å; R474-D479 IonicContact CZ-OD2 3.4Å; R474-D479 VanDerWaalsContact CZ-OD2 3.27Å; R474-D479 IonicContact NH1-OD1 2.73Å; R474-D479 IonicContact NH1-OD2 2.77Å; R474-D479 PolarHBondContact NH1-OD2 3.47Å; R474-D479 IonicContact NH2-OD2 2.66Å; R474-D479 PolarHBondContact NH2-OD2 2.86Å; R474-A480 WeakPolarHBondContact O-CB 3.41Å; R474-E484 HydrophobicContact CG-CB 4.48Å; R474-E484 HydrophobicContact CG-CG 4.34Å; R474-E484 VanDerWaalsContact CG-OE1 3.31Å; R474-E484 WeakPolarHBondContact CG-OE1 3.41Å; R474-E484 IonicContact CZ-OE1 3.71Å; R474-E484 IonicContact NE-OE1 2.68Å; R474-E484 PolarHBondContact NE-OE1 3.33Å; R474-E484 IonicContact NE-OE2 2.68Å; R474-E484 IonicContact NH2-OE1 3.2Å; R474-E484 IonicContact NH2-OE2 3.97Å
475	G	74.3	Confident	77.5	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.4	174.3	0	0	0	0	0	114.8	P471 T473 E484 R819	P471-G475 PolarHBondContact O-N 3.41Å; T473-G475 VanDerWaalsContact C-N 3.35Å; T473-G475 PolarHBondContact O-N 3.41Å; G475-E484 VanDerWaalsContact CA-O 3.28Å; G475-E484 WeakPolarHBondContact CA-O 3.46Å; G475-R819 VanDerWaalsContact O-CZ 3.3Å; G475-R819 PolarHBondContact O-NH1 2.92Å; G475-R819 PolarHBondContact O-NH2 3.49Å
476	R	66.3	Low	77	Confident	50 Å²	50	59 Å²	59	19%	0.189	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.8	177	-72	168.1	168.2	165.4	-4.1	114.5	I472 T473 R474 T805 R819	I472-R476 WeakPolarHBondContact O-CD 3.38Å; I472-R476 VanDerWaalsContact O-CG 3.31Å; I472-R476 WeakPolarHBondContact O-CG 3.22Å; I472-R476 PolarHBondContact O-N 3.16Å; T473-R476 WeakPolarHBondContact O-CA 3Å; T473-R476 WeakPolarHBondContact O-CB 3.48Å; T473-R476 PolarHBondContact O-N 3.25Å; R474-R476 PolarHBondContact O-N 3.45Å; R474-R476 VanDerWaalsContact O-N 3.09Å; R476-T805 VanDerWaalsContact NH2-CG2 3.3Å; R476-R819 WeakPolarHBondContact O-CD 3.46Å; R476-R819 PolarHBondContact O-NH1 2.69Å
477	E	67.8	Low	76.6	Confident	77 Å²	77	55.5 Å²	55.5	36%	0.36	27%	0.266	S	S	.	.	S	Bend	trans	-67.1	151.1	178.4	-69.2	171.4	172.8	0	0	110.8	T473 R474 A480 R819	T473-E477 PolarHBondContact O-N 2.76Å; R474-E477 WeakPolarHBondContact CD-OE2 3.48Å; R474-E477 IonicContact CZ-OE2 3.09Å; R474-E477 IonicContact NE-OE2 2.7Å; R474-E477 IonicContact NH1-OE2 3.69Å; R474-E477 PolarHBondContact NH1-OE2 2.98Å; R474-E477 PolarHBondContact O-N 2.91Å; R474-E477 VanDerWaalsContact O-N 3.15Å; E477-A480 WeakPolarHBondContact O-CB 3.47Å; E477-A480 PolarHBondContact O-N 2.85Å; E477-R819 PolarHBondContact O-NH1 2.79Å
478	R	63.2	Low	76.4	Confident	142 Å²	142	53 Å²	53	54%	0.536	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-32.6	-171.5	-177.2	172.9	169.4	-178.2	-6.8	112.3	A480 Y820	R478-A480 VanDerWaalsContact C-N 3.31Å; R478-Y820 PolarHBondContact NH1-O 3.39Å
479	D	71.8	Confident	76	Confident	109 Å²	109	58.7 Å²	58.7	58%	0.583	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	2.1	175.5	64	-66.1	0	0	0	113.8	R474 T481	R474-D479 IonicContact CZ-OD2 3.4Å; R474-D479 VanDerWaalsContact CZ-OD2 3.27Å; R474-D479 IonicContact NH1-OD1 2.73Å; R474-D479 IonicContact NH1-OD2 2.77Å; R474-D479 PolarHBondContact NH1-OD2 3.47Å; R474-D479 IonicContact NH2-OD2 2.66Å; R474-D479 PolarHBondContact NH2-OD2 2.86Å; D479-T481 PolarHBondContact O-N 3.32Å
480	A	70.4	Confident	75.7	Confident	7 Å²	7	60.2 Å²	60.2	6%	0.058	29%	0.29	C	S	.	.			trans	-61.9	130.2	177.9	0	0	0	0	0	111.7	R474 E477 R478 E484 K485	R474-A480 WeakPolarHBondContact O-CB 3.41Å; E477-A480 WeakPolarHBondContact O-CB 3.47Å; E477-A480 PolarHBondContact O-N 2.85Å; R478-A480 VanDerWaalsContact C-N 3.31Å; A480-E484 HydrophobicContact CB-CB 4.25Å; A480-K485 HydrophobicContact CB-CG 4.06Å; A480-K485 VanDerWaalsContact O-CE 3.26Å; A480-K485 WeakPolarHBondContact O-CE 3.09Å
481	T	76.6	Confident	75.5	Confident	76 Å²	76	54.3 Å²	54.3	47%	0.466	26%	0.264	S	S	.	.			trans	-63.7	158.6	175.1	60.3	0	0	0	0	111.8	D479 A483 E484 K485	D479-T481 PolarHBondContact O-N 3.32Å; T481-A483 PolarHBondContact O-N 3.43Å; T481-E484 WeakPolarHBondContact CB-OE2 3.36Å; T481-E484 WeakPolarHBondContact CG2-OE2 3.45Å; T481-E484 PolarHBondContact N-OE2 3.09Å; T481-E484 PolarHBondContact O-N 3.05Å; T481-E484 VanDerWaalsContact OG1-CG 3.25Å; T481-E484 WeakPolarHBondContact OG1-CG 3.25Å; T481-E484 PolarHBondContact OG1-N 3.31Å; T481-E484 PolarHBondContact OG1-OE2 3.43Å; T481-K485 WeakPolarHBondContact O-CG 3.45Å; T481-K485 PolarHBondContact O-N 3.3Å
482	R	72.7	Confident	75.2	Confident	128 Å²	128	54.3 Å²	54.3	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-51.5	-41.4	176.1	-174.6	174.7	175.3	-171.2	-3.6	111.8	K485 V486 A894 D896	R482-K485 PolarHBondContact O-N 3.38Å; R482-V486 WeakPolarHBondContact O-CG2 3.33Å; R482-V486 PolarHBondContact O-N 3.42Å; R482-V486 VanDerWaalsContact O-N 3.11Å; R482-A894 PolarHBondContact NH2-O 2.83Å; R482-D896 IonicContact CZ-OD2 3.6Å; R482-D896 IonicContact NH1-OD2 3.84Å; R482-D896 IonicContact NH2-OD2 3.09Å; R482-D896 PolarHBondContact NH2-OD2 2.75Å
483	A	71.4	Confident	75.1	Confident	52 Å²	52	58 Å²	58	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-66.2	-40	175.8	0	0	0	0	0	113.4	T481 H487	T481-A483 PolarHBondContact O-N 3.43Å; A483-H487 VanDerWaalsContact O-CB 3.26Å; A483-H487 WeakPolarHBondContact O-CB 3.34Å; A483-H487 PolarHBondContact O-N 2.84Å
484	E	80.1	Confident	75.2	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-39.1	175.8	-72.9	166.8	120.6	0	0	112.4	R474 G475 A480 T481 H487 G488	R474-E484 HydrophobicContact CG-CB 4.48Å; R474-E484 HydrophobicContact CG-CG 4.34Å; R474-E484 VanDerWaalsContact CG-OE1 3.31Å; R474-E484 WeakPolarHBondContact CG-OE1 3.41Å; R474-E484 IonicContact CZ-OE1 3.71Å; R474-E484 IonicContact NE-OE1 2.68Å; R474-E484 PolarHBondContact NE-OE1 3.33Å; R474-E484 IonicContact NE-OE2 2.68Å; R474-E484 IonicContact NH2-OE1 3.2Å; R474-E484 IonicContact NH2-OE2 3.97Å; G475-E484 VanDerWaalsContact CA-O 3.28Å; G475-E484 WeakPolarHBondContact CA-O 3.46Å; A480-E484 HydrophobicContact CB-CB 4.25Å; T481-E484 WeakPolarHBondContact CB-OE2 3.36Å; T481-E484 WeakPolarHBondContact CG2-OE2 3.45Å; T481-E484 PolarHBondContact N-OE2 3.09Å; T481-E484 PolarHBondContact O-N 3.05Å; T481-E484 VanDerWaalsContact OG1-CG 3.25Å; T481-E484 WeakPolarHBondContact OG1-CG 3.25Å; T481-E484 PolarHBondContact OG1-N 3.31Å; T481-E484 PolarHBondContact OG1-OE2 3.43Å; E484-H487 PolarHBondContact O-N 3.46Å; E484-G488 PolarHBondContact O-N 3.01Å
485	K	75.4	Confident	75.5	Confident	84 Å²	84	52.2 Å²	52.2	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-58.3	-52.1	173.8	-67.8	179.1	-179.8	177.1	0	110.8	A480 T481 R482 H487 G488 Q489	A480-K485 HydrophobicContact CB-CG 4.06Å; A480-K485 VanDerWaalsContact O-CE 3.26Å; A480-K485 WeakPolarHBondContact O-CE 3.09Å; T481-K485 WeakPolarHBondContact O-CG 3.45Å; T481-K485 PolarHBondContact O-N 3.3Å; R482-K485 PolarHBondContact O-N 3.38Å; K485-H487 PolarHBondContact O-N 2.94Å; K485-G488 PolarHBondContact O-N 3.34Å; K485-Q489 PolarHBondContact O-N 3.28Å
486	V	74.8	Confident	75.8	Confident	15 Å²	15	55 Å²	55	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-42	176.9	168.8	0	0	0	0	111.8	R482 Q489 L490 I895	R482-V486 WeakPolarHBondContact O-CG2 3.33Å; R482-V486 PolarHBondContact O-N 3.42Å; R482-V486 VanDerWaalsContact O-N 3.11Å; V486-Q489 PolarHBondContact O-N 3.38Å; V486-L490 HydrophobicContact CG1-CD1 3.96Å; V486-L490 PolarHBondContact O-N 2.69Å; V486-I895 HydrophobicContact CG1-CD1 3.5Å; V486-I895 HydrophobicContact CG1-CG1 3.9Å; V486-I895 HydrophobicContact CG2-CD1 4.41Å; V486-I895 HydrophobicContact CG2-CG1 3.95Å
487	H	79.1	Confident	76.5	Confident	26 Å²	26	58.1 Å²	58.1	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-45.8	176.6	-174.1	4.2	0	0	0	111.9	A483 E484 K485 L490 M491 V904 R907	A483-H487 VanDerWaalsContact O-CB 3.26Å; A483-H487 WeakPolarHBondContact O-CB 3.34Å; A483-H487 PolarHBondContact O-N 2.84Å; E484-H487 PolarHBondContact O-N 3.46Å; K485-H487 PolarHBondContact O-N 2.94Å; H487-L490 PolarHBondContact O-N 3.31Å; H487-M491 WeakPolarHBondContact O-CG 3.49Å; H487-M491 PolarHBondContact O-N 3.18Å; H487-V904 HydrophobicContact CB-CG1 4.43Å; H487-V904 HydrophobicContact CB-CG2 4.37Å; H487-R907 WeakPolarHBondContact NE2-CD 2.97Å; H487-R907 PolarHBondContact NE2-NH1 2.97Å
488	G	80.4	Confident	77.3	Confident	4 Å²	4	56 Å²	56	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-40	177.2	0	0	0	0	0	113	P471 E484 K485 A492	P471-G488 VanDerWaalsContact O-CA 3.3Å; P471-G488 WeakPolarHBondContact O-CA 3.49Å; E484-G488 PolarHBondContact O-N 3.01Å; K485-G488 PolarHBondContact O-N 3.34Å; G488-A492 WeakPolarHBondContact O-CB 3.35Å; G488-A492 PolarHBondContact O-N 2.87Å
489	Q	76.7	Confident	78.4	Confident	118 Å²	118	49.7 Å²	49.7	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-61.5	-50.9	174.8	-179.8	177.7	-16.9	0	0	111.6	K485 V486 M491 A492 E493	K485-Q489 PolarHBondContact O-N 3.28Å; V486-Q489 PolarHBondContact O-N 3.38Å; Q489-M491 VanDerWaalsContact C-N 3.33Å; Q489-M491 PolarHBondContact O-N 3.04Å; Q489-A492 CarbonylContact O-C 3.54Å; Q489-A492 WeakPolarHBondContact O-CA 3.01Å; Q489-A492 WeakPolarHBondContact O-CB 3.47Å; Q489-A492 PolarHBondContact O-N 2.64Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.45Å; Q489-E493 PolarHBondContact NE2-OE1 3.45Å; Q489-E493 PolarHBondContact O-N 3.04Å
490	L	78.4	Confident	79	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-30.6	-177.9	-74.6	167.1	0	0	0	112.9	V486 H487 E493 S494 I895 V904	V486-L490 HydrophobicContact CG1-CD1 3.96Å; V486-L490 PolarHBondContact O-N 2.69Å; H487-L490 PolarHBondContact O-N 3.31Å; L490-E493 PolarHBondContact O-N 3.48Å; L490-S494 WeakPolarHBondContact O-CB 3.29Å; L490-S494 PolarHBondContact O-N 2.99Å; L490-I895 HydrophobicContact CD1-CD1 4.47Å; L490-V904 HydrophobicContact CB-CG1 3.64Å; L490-V904 HydrophobicContact CD1-CB 3.9Å; L490-V904 HydrophobicContact CD1-CG1 3.47Å; L490-V904 VanDerWaalsContact CD1-CG1 3.47Å; L490-V904 HydrophobicContact CG-CG1 4.18Å
491	M	81	Confident	79.8	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-37.9	168.5	-67.1	-45.8	87.8	0	0	111.7	Y468 P471 I472 H487 Q489 S494 L495 V904 R907 C908	Y468-M491 HydrophobicContact CD1-CB 4.3Å; Y468-M491 WeakPolarHBondContact CD1-O 3.23Å; P471-M491 HydrophobicContact CB-CG 3.77Å; P471-M491 HydrophobicContact CG-CG 4.38Å; I472-M491 HydrophobicContact CD1-CB 4.18Å; I472-M491 HydrophobicContact CG1-CB 3.72Å; H487-M491 WeakPolarHBondContact O-CG 3.49Å; H487-M491 PolarHBondContact O-N 3.18Å; Q489-M491 VanDerWaalsContact C-N 3.33Å; Q489-M491 PolarHBondContact O-N 3.04Å; M491-S494 PolarHBondContact O-N 2.97Å; M491-L495 WeakPolarHBondContact O-CB 3.44Å; M491-L495 PolarHBondContact O-N 2.83Å; M491-V904 HydrophobicContact CE-CG1 4.12Å; M491-R907 HydrophobicContact CE-CB 4.44Å; M491-C908 HydrophobicContact CE-CB 4.17Å; M491-C908 WeakPolarHBondContact CE-SG 3.27Å
492	A	79.3	Confident	80.4	Confident	22 Å²	22	48.2 Å²	48.2	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-33.9	176.7	0	0	0	0	0	112.6	I472 G488 Q489 R496	I472-A492 HydrophobicContact CD1-CB 4.05Å; I472-A492 HydrophobicContact CG1-CB 4.14Å; I472-A492 HydrophobicContact CG2-CB 4.28Å; G488-A492 WeakPolarHBondContact O-CB 3.35Å; G488-A492 PolarHBondContact O-N 2.87Å; Q489-A492 CarbonylContact O-C 3.54Å; Q489-A492 WeakPolarHBondContact O-CA 3.01Å; Q489-A492 WeakPolarHBondContact O-CB 3.47Å; Q489-A492 PolarHBondContact O-N 2.64Å; A492-R496 WeakPolarHBondContact O-CB 3.49Å; A492-R496 PolarHBondContact O-N 3.22Å
493	E	79	Confident	81.1	Confident	81 Å²	81	42.8 Å²	42.8	38%	0.379	21%	0.213	S	C	.	.	H	α-helix	trans	-69.4	-43.2	173.2	-71.2	176.3	-158.1	0	0	112.3	Q489 L490 R496 R497	Q489-E493 WeakPolarHBondContact CG-OE1 3.45Å; Q489-E493 PolarHBondContact NE2-OE1 3.45Å; Q489-E493 PolarHBondContact O-N 3.04Å; L490-E493 PolarHBondContact O-N 3.48Å; E493-R496 PolarHBondContact O-N 2.97Å; E493-R497 PolarHBondContact O-N 2.93Å; E493-R497 VanDerWaalsContact O-N 3.07Å
494	S	82	Confident	82	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-49.7	171.5	170.1	0	0	0	0	111.4	Y468 L490 M491 R496 R497 I498 E912	Y468-S494 PolarHBondContact OH-OG 3.46Å; L490-S494 WeakPolarHBondContact O-CB 3.29Å; L490-S494 PolarHBondContact O-N 2.99Å; M491-S494 PolarHBondContact O-N 2.97Å; S494-R496 VanDerWaalsContact C-N 3.33Å; S494-R496 PolarHBondContact O-N 3.2Å; S494-R497 WeakPolarHBondContact O-CB 3.36Å; S494-R497 PolarHBondContact O-N 3.19Å; S494-R497 VanDerWaalsContact O-N 3.15Å; S494-I498 PolarHBondContact O-N 3.07Å; S494-E912 WeakPolarHBondContact CB-OE1 3.28Å; S494-E912 WeakPolarHBondContact OG-CG 3.24Å; S494-E912 PolarHBondContact OG-OE1 3.08Å
495	L	84.3	Confident	82.3	Confident	6 Å²	6	41 Å²	41	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-43.7	176.9	-178	56.4	0	0	0	112	L442 L445 L458 F464 Y468 I472 M491 R497 I498 I499	L442-L495 HydrophobicContact CD2-CD2 4.22Å; L445-L495 HydrophobicContact CD2-CD2 4.5Å; L458-L495 HydrophobicContact CD2-CD1 3.87Å; F464-L495 HydrophobicContact CE2-CD1 3.87Å; F464-L495 HydrophobicContact CE2-CD2 4.09Å; F464-L495 HydrophobicContact CZ-CD2 4.08Å; Y468-L495 HydrophobicContact CD1-CB 3.71Å; Y468-L495 HydrophobicContact CD1-CD1 4.4Å; Y468-L495 HydrophobicContact CD1-CD2 4.41Å; Y468-L495 HydrophobicContact CD1-CG 4.39Å; Y468-L495 HydrophobicContact CE1-CB 3.87Å; I472-L495 HydrophobicContact CD1-CD2 4.11Å; M491-L495 WeakPolarHBondContact O-CB 3.44Å; M491-L495 PolarHBondContact O-N 2.83Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.79Å; L495-I498 PolarHBondContact O-N 2.88Å; L495-I499 HydrophobicContact CD1-CG2 4.1Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.4Å
496	R	80.3	Confident	82.8	Confident	60 Å²	60	38.2 Å²	38.2	23%	0.226	18%	0.181	C	C	.	.	H	α-helix	trans	-57.9	-45.6	177.6	-157.4	-177	-49.2	-150.2	8.7	110.8	A492 E493 S494 I498 I499 D500 Q804 S807 D814	A492-R496 WeakPolarHBondContact O-CB 3.49Å; A492-R496 PolarHBondContact O-N 3.22Å; E493-R496 PolarHBondContact O-N 2.97Å; S494-R496 VanDerWaalsContact C-N 3.33Å; S494-R496 PolarHBondContact O-N 3.2Å; R496-I498 PolarHBondContact O-N 3.25Å; R496-I499 PolarHBondContact O-N 2.79Å; R496-I499 VanDerWaalsContact O-N 3.15Å; R496-D500 VanDerWaalsContact O-CB 3.29Å; R496-D500 WeakPolarHBondContact O-CB 3.42Å; R496-D500 PolarHBondContact O-N 3.06Å; R496-Q804 VanDerWaalsContact CZ-O 3.23Å; R496-Q804 PolarHBondContact NH1-O 2.95Å; R496-Q804 PolarHBondContact NH2-O 3.39Å; R496-S807 PolarHBondContact NH1-O 3.33Å; R496-D814 IonicContact NH1-OD2 2.66Å
497	R	82.4	Confident	83	Confident	116 Å²	116	38.9 Å²	38.9	44%	0.438	19%	0.185	S	C	.	.	H	α-helix	trans	-57.9	-32.9	178.9	-156.2	-168.9	-50.1	117.3	6.5	113.3	E493 S494 L495 E912	E493-R497 PolarHBondContact O-N 2.93Å; E493-R497 VanDerWaalsContact O-N 3.07Å; S494-R497 WeakPolarHBondContact O-CB 3.36Å; S494-R497 PolarHBondContact O-N 3.19Å; S494-R497 VanDerWaalsContact O-N 3.15Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.79Å; R497-E912 IonicContact CZ-OE1 3.76Å; R497-E912 IonicContact NH1-OE1 2.77Å; R497-E912 PolarHBondContact NH1-OE1 2.72Å; R497-E912 IonicContact NH1-OE2 2.69Å
498	I	84.7	Confident	82.9	Confident	34 Å²	34	38.6 Å²	38.6	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-76.2	-39.7	178	-61.6	166.3	0	0	0	111.5	L457 L458 S494 L495 R496 E912	L457-I498 HydrophobicContact CD1-CG2 3.85Å; L457-I498 HydrophobicContact CG-CG2 4.11Å; L458-I498 HydrophobicContact CD2-CG2 3.97Å; S494-I498 PolarHBondContact O-N 3.07Å; L495-I498 PolarHBondContact O-N 2.88Å; R496-I498 PolarHBondContact O-N 3.25Å; I498-E912 HydrophobicContact CD1-CG 4.34Å
499	I	85.5	Confident	82.5	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-91.9	-25.5	-170.7	68.9	179.4	0	0	0	114.6	L445 Y449 L458 L495 R496 P501 Y502 F503	L445-I499 HydrophobicContact CD2-CD1 4.16Å; Y449-I499 HydrophobicContact CD2-CG2 4.12Å; Y449-I499 HydrophobicContact CE1-CB 4.44Å; Y449-I499 HydrophobicContact CE2-CB 3.89Å; Y449-I499 HydrophobicContact CE2-CD1 4.35Å; Y449-I499 HydrophobicContact CE2-CG2 3.67Å; L458-I499 HydrophobicContact CD2-CG2 4.32Å; L495-I499 HydrophobicContact CD1-CG2 4.1Å; L495-I499 WeakPolarHBondContact O-CG1 3.4Å; L495-I499 PolarHBondContact O-N 3.4Å; R496-I499 PolarHBondContact O-N 2.79Å; R496-I499 VanDerWaalsContact O-N 3.15Å; I499-P501 VanDerWaalsContact C-CD 3.46Å; I499-Y502 CarbonylContact O-C 3.46Å; I499-Y502 PolarHBondContact O-N 2.83Å; I499-F503 WeakPolarHBondContact O-CB 3.32Å; I499-F503 PolarHBondContact O-N 3.08Å
500	D	84.5	Confident	82.4	Confident	71 Å²	71	39.6 Å²	39.6	38%	0.38	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-51.6	-44.5	-175.4	-169.7	90.7	0	0	0	114.1	R496 Y502 F503	R496-D500 VanDerWaalsContact O-CB 3.29Å; R496-D500 WeakPolarHBondContact O-CB 3.42Å; R496-D500 PolarHBondContact O-N 3.06Å; D500-Y502 PolarHBondContact O-N 2.92Å; D500-F503 PolarHBondContact O-N 2.56Å; D500-F503 VanDerWaalsContact O-N 3.17Å
501	P	87.2	Confident	82.2	Confident	47 Å²	47	38.4 Å²	38.4	31%	0.305	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.4	-20.7	178.9	-22.3	34.7	0	0	0	114.4	I499	I499-P501 VanDerWaalsContact C-CD 3.46Å
502	Y	89.5	Confident	81.6	Confident	43 Å²	43	40.3 Å²	40.3	17%	0.169	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-110	10	-174.5	-50.1	-72.4	0	0	0	112.6	L261 G268 I269 H453 L457 I499 D500	L261-Y502 HydrophobicContact CD2-CD1 3.98Å; G268-Y502 CarbonylContact C-O 3.58Å; G268-Y502 WeakPolarHBondContact CA-O 3.29Å; I269-Y502 PolarHBondContact N-O 2.89Å; H453-Y502 AromaticContact CE1-CG 3.93Å; H453-Y502 AromaticContact NE2-CD1 3.49Å; H453-Y502 WeakPolarHBondContact NE2-CD1 3.41Å; H453-Y502 AromaticContact NE2-CE1 3.82Å; H453-Y502 AromaticContact NE2-CG 3.73Å; L457-Y502 HydrophobicContact CD1-CD2 4.26Å; L457-Y502 HydrophobicContact CD1-CE2 3.87Å; L457-Y502 HydrophobicContact CD2-CD2 4.12Å; I499-Y502 CarbonylContact O-C 3.46Å; I499-Y502 PolarHBondContact O-N 2.83Å; D500-Y502 PolarHBondContact O-N 2.92Å
503	F	88	Confident	80.7	Confident	15 Å²	15	42.7 Å²	42.7	7%	0.066	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	111.3	-174.5	-174.4	-98.9	0	0	0	111.8	I269 A271 A437 Y449 I499 D500 R505 T806	I269-F503 HydrophobicContact CB-CD2 4.06Å; I269-F503 HydrophobicContact CG2-CD2 4.18Å; I269-F503 HydrophobicContact CG2-CE2 4.23Å; A271-F503 HydrophobicContact CB-CD2 4.47Å; A271-F503 HydrophobicContact CB-CE2 3.59Å; A271-F503 HydrophobicContact CB-CZ 3.65Å; A437-F503 HydrophobicContact CB-CE2 3.96Å; A437-F503 HydrophobicContact CB-CZ 3.64Å; Y449-F503 WeakPolarHBondContact OH-CB 3.28Å; I499-F503 WeakPolarHBondContact O-CB 3.32Å; I499-F503 PolarHBondContact O-N 3.08Å; D500-F503 PolarHBondContact O-N 2.56Å; D500-F503 VanDerWaalsContact O-N 3.17Å; F503-R505 HydrophobicContact CD1-CB 4.27Å; F503-R505 HydrophobicContact CE1-CB 3.4Å; F503-R505 VanDerWaalsContact CE1-CB 3.4Å; F503-R505 HydrophobicContact CE1-CG 4.46Å; F503-R505 HydrophobicContact CZ-CB 3.75Å; F503-T806 HydrophobicContact CE1-CG2 4.4Å; F503-T806 WeakPolarHBondContact CE1-O 3.44Å; F503-T806 HydrophobicContact CZ-CG2 3.95Å
504	L	89.3	Confident	79.5	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.6	174	-179.8	55.5	0	0	0	110.4	Y253 W257 I269 L270 A271 R506	Y253-L504 HydrophobicContact CD1-CD2 4.42Å; Y253-L504 HydrophobicContact CE1-CD1 4.09Å; Y253-L504 HydrophobicContact CE1-CD2 4.32Å; W257-L504 HydrophobicContact CB-CD2 4.01Å; W257-L504 HydrophobicContact CD2-CB 3.74Å; W257-L504 HydrophobicContact CD2-CD2 3.69Å; W257-L504 HydrophobicContact CD2-CG 4.34Å; W257-L504 HydrophobicContact CE3-CB 3.76Å; W257-L504 HydrophobicContact CE3-CD2 3.62Å; W257-L504 HydrophobicContact CE3-CG 4.35Å; W257-L504 HydrophobicContact CG-CB 4.48Å; W257-L504 HydrophobicContact CG-CD2 3.87Å; W257-L504 HydrophobicContact CH2-CB 3.66Å; W257-L504 HydrophobicContact CZ2-CB 3.64Å; W257-L504 HydrophobicContact CZ3-CB 3.72Å; W257-L504 HydrophobicContact CZ3-CD2 4.3Å; I269-L504 PolarHBondContact O-N 3.01Å; L270-L504 HydrophobicContact CD1-CB 4.06Å; L270-L504 HydrophobicContact CD1-CD2 3.85Å; L270-L504 HydrophobicContact CD1-CG 3.96Å; A271-L504 PolarHBondContact N-O 2.94Å; L504-R506 HydrophobicContact CD1-CG 4.25Å
505	R	86.2	Confident	78	Confident	55 Å²	55	49.4 Å²	49.4	21%	0.208	25%	0.245	C	C	.	.			trans	-116.3	138	170.4	-179.8	168.9	-167	-171.5	-0.7	110.3	A271 D273 F503 T806	A271-R505 HydrophobicContact CB-CB 4.12Å; D273-R505 IonicContact OD1-NH2 2.7Å; F503-R505 HydrophobicContact CD1-CB 4.27Å; F503-R505 HydrophobicContact CE1-CB 3.4Å; F503-R505 VanDerWaalsContact CE1-CB 3.4Å; F503-R505 HydrophobicContact CE1-CG 4.46Å; F503-R505 HydrophobicContact CZ-CB 3.75Å; R505-T806 PolarHBondContact NH1-OG1 3.26Å
506	R	85.6	Confident	75.9	Confident	25 Å²	25	58.6 Å²	58.6	9%	0.094	28%	0.28	C	S	.	.			trans	-143	139	172.7	-67.5	166.6	-68.3	-162.3	5.6	109.6	Y250 D272 D273 L276 L504 V511	Y250-R506 PolarHBondContact O-NH1 3.37Å; D272-R506 IonicContact OD1-CZ 2.95Å; D272-R506 VanDerWaalsContact OD1-CZ 3.26Å; D272-R506 IonicContact OD1-NE 3.33Å; D272-R506 PolarHBondContact OD1-NE 3.44Å; D272-R506 IonicContact OD1-NH2 2.67Å; D272-R506 PolarHBondContact OD1-NH2 2.88Å; D272-R506 IonicContact OD2-CZ 3.66Å; D272-R506 IonicContact OD2-NE 2.74Å; D272-R506 IonicContact OD2-NH2 3.6Å; D272-R506 PolarHBondContact OD2-NH2 2.65Å; D273-R506 PolarHBondContact N-O 3.19Å; D273-R506 VanDerWaalsContact N-O 3.09Å; L276-R506 HydrophobicContact CD1-CB 4.39Å; L276-R506 VanDerWaalsContact CD1-O 3.31Å; L276-R506 WeakPolarHBondContact CD1-O 3.42Å; L504-R506 HydrophobicContact CD1-CG 4.25Å; R506-V511 HydrophobicContact CB-CG2 3.94Å
507	T	80.3	Confident	73.8	Confident	29 Å²	29	62.3 Å²	62.3	18%	0.178	31%	0.305	C	S	.	.			trans	-92.9	157.2	177.9	67.3	0	0	0	0	112.8	D273 S509 E510 V511	D273-T507 WeakPolarHBondContact OD2-CA 3.49Å; D273-T507 WeakPolarHBondContact OD2-CB 3.43Å; T507-S509 WeakPolarHBondContact CB-OG 3.27Å; T507-S509 PolarHBondContact O-N 2.7Å; T507-S509 PolarHBondContact OG1-OG 3.46Å; T507-E510 VanDerWaalsContact CB-OE2 3.29Å; T507-E510 WeakPolarHBondContact CB-OE2 3.45Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.5Å; T507-E510 PolarHBondContact N-OE2 2.89Å; T507-E510 PolarHBondContact O-N 3.09Å; T507-E510 VanDerWaalsContact OG1-CG 3.27Å; T507-E510 WeakPolarHBondContact OG1-CG 3.25Å; T507-E510 PolarHBondContact OG1-N 2.92Å; T507-E510 PolarHBondContact OG1-OE2 3.01Å; T507-V511 WeakPolarHBondContact O-CB 3.45Å; T507-V511 WeakPolarHBondContact O-CG2 3.41Å; T507-V511 PolarHBondContact O-N 3.27Å
508	K	77.2	Confident	71.5	Confident	19 Å²	19	66 Å²	66	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-55.3	-39.3	170.6	-67.1	175.6	-172.5	179.5	0	111.6	D273 M274 L276 L512 D765 Y768	D273-K508 HydrophobicContact CB-CG 3.93Å; D273-K508 PolarHBondContact OD2-N 3.2Å; M274-K508 WeakPolarHBondContact O-CE 3.43Å; M274-K508 PolarHBondContact O-NZ 3.12Å; L276-K508 HydrophobicContact CD2-CG 4.32Å; L276-K508 HydrophobicContact CG-CG 4.44Å; K508-L512 HydrophobicContact CB-CD1 4.18Å; K508-L512 VanDerWaalsContact O-CB 3.25Å; K508-L512 WeakPolarHBondContact O-CB 3.21Å; K508-L512 WeakPolarHBondContact O-CD1 3.42Å; K508-L512 VanDerWaalsContact O-CG 3.3Å; K508-L512 WeakPolarHBondContact O-CG 3.14Å; K508-L512 PolarHBondContact O-N 2.92Å; K508-L512 VanDerWaalsContact O-N 3.08Å; K508-D765 IonicContact NZ-OD1 2.95Å; K508-D765 PolarHBondContact NZ-OD1 2.72Å; K508-D765 IonicContact NZ-OD2 3.07Å; K508-D765 PolarHBondContact NZ-OD2 3.03Å; K508-Y768 HydrophobicContact CD-CD1 4.03Å; K508-Y768 HydrophobicContact CD-CE1 3.86Å; K508-Y768 PolarHBondContact NZ-O 3.31Å
509	S	70.4	Confident	69.4	Low	83 Å²	83	71.9 Å²	71.9	58%	0.58	36%	0.361	S	S	*	.	H	α-helix	trans	-60.1	-50.8	178.1	21.4	0	0	0	0	113.1	T507 S513	T507-S509 WeakPolarHBondContact CB-OG 3.27Å; T507-S509 PolarHBondContact O-N 2.7Å; T507-S509 PolarHBondContact OG1-OG 3.46Å; S509-S513 VanDerWaalsContact O-CB 3.25Å; S509-S513 WeakPolarHBondContact O-CB 3.22Å; S509-S513 PolarHBondContact O-N 3.13Å; S509-S513 PolarHBondContact O-OG 3.49Å
510	E	74.5	Confident	67.2	Low	60 Å²	60	75.2 Å²	75.2	28%	0.28	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-40.5	-177	-66.7	156.1	131.3	0	0	112.1	T507 S513 K514	T507-E510 VanDerWaalsContact CB-OE2 3.29Å; T507-E510 WeakPolarHBondContact CB-OE2 3.45Å; T507-E510 WeakPolarHBondContact CG2-OE2 3.5Å; T507-E510 PolarHBondContact N-OE2 2.89Å; T507-E510 PolarHBondContact O-N 3.09Å; T507-E510 VanDerWaalsContact OG1-CG 3.27Å; T507-E510 WeakPolarHBondContact OG1-CG 3.25Å; T507-E510 PolarHBondContact OG1-N 2.92Å; T507-E510 PolarHBondContact OG1-OE2 3.01Å; E510-S513 PolarHBondContact O-OG 3.43Å; E510-K514 WeakPolarHBondContact O-CG 3.5Å
511	V	74.7	Confident	65.3	Low	15 Å²	15	78.8 Å²	78.8	9%	0.091	41%	0.414	C	S	.	.	H	α-helix	trans	-70.9	-42.8	-176	168.9	0	0	0	0	112	Y250 L276 R506 T507	Y250-V511 HydrophobicContact CD1-CB 4.45Å; Y250-V511 HydrophobicContact CD1-CG1 3.17Å; Y250-V511 HydrophobicContact CD1-CG2 4.5Å; Y250-V511 HydrophobicContact CD2-CG1 4.15Å; Y250-V511 HydrophobicContact CD2-CG2 4.27Å; Y250-V511 HydrophobicContact CE1-CG1 3.31Å; Y250-V511 HydrophobicContact CE2-CG1 4.29Å; Y250-V511 HydrophobicContact CG-CG1 3.61Å; Y250-V511 HydrophobicContact CG-CG2 4.11Å; L276-V511 HydrophobicContact CD1-CG2 4.21Å; L276-V511 HydrophobicContact CD2-CB 4.36Å; L276-V511 HydrophobicContact CD2-CG1 4.16Å; R506-V511 HydrophobicContact CB-CG2 3.94Å; T507-V511 WeakPolarHBondContact O-CB 3.45Å; T507-V511 WeakPolarHBondContact O-CG2 3.41Å; T507-V511 PolarHBondContact O-N 3.27Å
512	L	68.1	Low	63.1	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	43%	0.434	C	S	.	.	H	α-helix	trans	-97.3	-5.4	-168.2	-55.8	165.5	0	0	0	113.1	K508 M528	K508-L512 HydrophobicContact CB-CD1 4.18Å; K508-L512 VanDerWaalsContact O-CB 3.25Å; K508-L512 WeakPolarHBondContact O-CB 3.21Å; K508-L512 WeakPolarHBondContact O-CD1 3.42Å; K508-L512 VanDerWaalsContact O-CG 3.3Å; K508-L512 WeakPolarHBondContact O-CG 3.14Å; K508-L512 PolarHBondContact O-N 2.92Å; K508-L512 VanDerWaalsContact O-N 3.08Å; L512-M528 HydrophobicContact CB-CB 4.39Å; L512-M528 HydrophobicContact CD1-CB 3.83Å; L512-M528 HydrophobicContact CD1-CG 4.02Å; L512-M528 HydrophobicContact CD1-SD 4.44Å
513	S	60.4	Low	60.6	Low	72 Å²	72	85 Å²	85	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-89.3	-40.5	169.7	57	0	0	0	0	113	S509 E510 Q515	S509-S513 VanDerWaalsContact O-CB 3.25Å; S509-S513 WeakPolarHBondContact O-CB 3.22Å; S509-S513 PolarHBondContact O-N 3.13Å; S509-S513 PolarHBondContact O-OG 3.49Å; E510-S513 PolarHBondContact O-OG 3.43Å; S513-Q515 VanDerWaalsContact C-N 3.28Å; S513-Q515 PolarHBondContact O-N 2.88Å
514	K	53.5	Low	58.4	Low	140 Å²	140	89.4 Å²	89.4	61%	0.609	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	3.8	-169.1	-67.7	-177.3	177.5	-177.8	0	115.7	E510 Y516	E510-K514 WeakPolarHBondContact O-CG 3.5Å; K514-Y516 VanDerWaalsContact C-N 3.31Å; K514-Y516 PolarHBondContact O-N 3.5Å
515	Q	51.4	Low	56.4	Low	83 Å²	83	97.5 Å²	97.5	39%	0.388	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.2	179.5	-67.5	-165.1	-77.1	0	0	114.8	S513 N517	S513-Q515 VanDerWaalsContact C-N 3.28Å; S513-Q515 PolarHBondContact O-N 2.88Å; Q515-N517 PolarHBondContact O-N 3.28Å; Q515-N517 VanDerWaalsContact O-N 3.15Å
516	Y	39.5	Very low	54.9	Low	198 Å²	198	100.8 Å²	100.8	78%	0.776	54%	0.535	S	S	*	.			trans	-78.1	87.4	162.8	-81.9	-89.6	0	0	0	110.6	K514	K514-Y516 VanDerWaalsContact C-N 3.31Å; K514-Y516 PolarHBondContact O-N 3.5Å
517	N	36.9	Very low	53.8	Low	139 Å²	139	107.3 Å²	107.3	74%	0.743	56%	0.564	S	S	*	*			trans	-140.2	127.3	165.3	-107.1	-39.7	0	0	0	109.5	Q515 N519	Q515-N517 PolarHBondContact O-N 3.28Å; Q515-N517 VanDerWaalsContact O-N 3.15Å; N517-N519 VanDerWaalsContact C-N 3.26Å; N517-N519 PolarHBondContact O-N 3.35Å
518	M	35.2	Very low	53.4	Low	193 Å²	193	107.2 Å²	107.2	95%	0.951	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-2.1	-152.5	-71.4	-142.3	178.6	0	0	117.8
519	N	40.4	Very low	53.6	Low	157 Å²	157	107.2 Å²	107.2	84%	0.84	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	9.4	-165.9	-63.7	-8	0	0	0	115	N517	N517-N519 VanDerWaalsContact C-N 3.26Å; N517-N519 PolarHBondContact O-N 3.35Å
520	A	38.7	Very low	54.1	Low	79 Å²	79	108 Å²	108	65%	0.653	56%	0.555	S	S	*	*			trans	-87.8	112.4	179.3	0	0	0	0	0	112.2	V522	A520-V522 PolarHBondContact O-N 2.78Å; A520-V522 VanDerWaalsContact O-N 3.1Å
521	V	44.3	Very low	54.6	Low	145 Å²	145	107.7 Å²	107.7	88%	0.879	55%	0.552	S	S	*	*	S	Bend	trans	-67.8	-8.7	-176.9	-179.6	0	0	0	0	113.7
522	V	41	Very low	55.2	Low	119 Å²	119	107.5 Å²	107.5	72%	0.721	55%	0.551	S	S	*	*	S	Bend	trans	-119.6	109.8	177	-176.2	0	0	0	0	109.9	A520 M524	A520-V522 PolarHBondContact O-N 2.78Å; A520-V522 VanDerWaalsContact O-N 3.1Å; V522-M524 PolarHBondContact O-N 2.82Å
523	P	36.1	Very low	56.2	Low	101 Å²	101	105.9 Å²	105.9	66%	0.656	54%	0.542	S	S	*	.			trans	-75.5	108.5	177.7	29.2	-33.2	0	0	0	111	K525	P523-K525 PolarHBondContact O-N 2.78Å
524	M	43.1	Very low	57.5	Low	109 Å²	109	102.5 Å²	102.5	54%	0.537	52%	0.519	S	S	.	.			trans	-66.7	101.7	161.3	-89.1	-170.2	158.9	0	0	108.8	Y248 V522 D526	Y248-M524 HydrophobicContact CD1-CE 3.74Å; Y248-M524 HydrophobicContact CD1-SD 3.58Å; Y248-M524 VanDerWaalsContact CD1-SD 3.58Å; Y248-M524 HydrophobicContact CE1-CE 3.55Å; Y248-M524 HydrophobicContact CE1-SD 3.45Å; Y248-M524 WeakPolarHBondContact CE1-SD 3.38Å; Y248-M524 HydrophobicContact CE2-CE 4.42Å; Y248-M524 HydrophobicContact CG-CE 4.26Å; V522-M524 PolarHBondContact O-N 2.82Å; M524-D526 VanDerWaalsContact C-N 3.33Å; M524-D526 PolarHBondContact O-N 3.32Å
525	K	46.9	Very low	59.3	Low	185 Å²	185	95.8 Å²	95.8	80%	0.804	49%	0.49	S	S	*	.			trans	-67.3	-25.7	-169.4	-80.6	-175.5	168.8	-179.1	0	115.5	P523 K527	P523-K525 PolarHBondContact O-N 2.78Å; K525-K527 PolarHBondContact O-N 2.9Å
526	D	54.2	Low	61.2	Low	123 Å²	123	91.9 Å²	91.9	66%	0.658	47%	0.471	S	S	*	.			trans	-98.8	82.7	-163.9	-65.9	-8.2	0	0	0	111.3	M524 M528	M524-D526 VanDerWaalsContact C-N 3.33Å; M524-D526 PolarHBondContact O-N 3.32Å; D526-M528 PolarHBondContact O-N 2.89Å
527	K	62.6	Low	63.6	Low	162 Å²	162	82.4 Å²	82.4	70%	0.704	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-55.4	127.1	160.4	176.3	178.9	177.3	177.8	0	108	K525	K525-K527 PolarHBondContact O-N 2.9Å
528	M	72.9	Confident	66.2	Low	28 Å²	28	75.8 Å²	75.8	14%	0.138	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-56.7	128.8	177.4	-170.3	76.5	-169.2	0	0	109.7	L512 D526 Y768 Q772	L512-M528 HydrophobicContact CB-CB 4.39Å; L512-M528 HydrophobicContact CD1-CB 3.83Å; L512-M528 HydrophobicContact CD1-CG 4.02Å; L512-M528 HydrophobicContact CD1-SD 4.44Å; D526-M528 PolarHBondContact O-N 2.89Å; M528-Y768 HydrophobicContact CE-CD1 4.15Å; M528-Y768 HydrophobicContact CE-CD2 3.53Å; M528-Y768 HydrophobicContact CE-CE1 4.01Å; M528-Y768 HydrophobicContact CE-CE2 3.36Å; M528-Y768 HydrophobicContact CE-CG 3.92Å; M528-Y768 HydrophobicContact CG-CE2 4.11Å; M528-Y768 WeakPolarHBondContact CG-OH 3.23Å; M528-Q772 HydrophobicContact CE-CB 3.96Å
529	P	80	Confident	68.9	Low	18 Å²	18	69.2 Å²	69.2	12%	0.117	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-64.6	167.5	178.1	26.9	-34.2	0	0	0	111	Y768 Q772 L774 D775	P529-Y768 VanDerWaalsContact O-CE2 3.28Å; P529-Y768 WeakPolarHBondContact O-CE2 3.35Å; P529-Y768 PolarHBondContact O-OH 2.83Å; P529-Q772 WeakPolarHBondContact CD-O 3.46Å; P529-Q772 HydrophobicContact CG-CB 4.3Å; P529-Q772 HydrophobicContact CG-CG 3.74Å; P529-L774 WeakPolarHBondContact CB-O 3.3Å; P529-L774 WeakPolarHBondContact CG-O 3.25Å; P529-D775 WeakPolarHBondContact CB-OD1 3.35Å
530	R	81.3	Confident	71.2	Confident	101 Å²	101	62.5 Å²	62.5	38%	0.381	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-71.7	140.2	-178.7	-68.4	173.1	-70.5	-167.9	-7.2	111	D775 V776 D856 S858	R530-D775 IonicContact CZ-OD2 3.81Å; R530-D775 VanDerWaalsContact CZ-OD2 3.24Å; R530-D775 PolarHBondContact N-OD1 2.88Å; R530-D775 IonicContact NE-OD1 2.78Å; R530-D775 IonicContact NE-OD2 2.68Å; R530-D775 PolarHBondContact NE-OD2 2.78Å; R530-D775 IonicContact NH2-OD2 3.65Å; R530-D775 PolarHBondContact NH2-OD2 2.99Å; R530-D775 CarbonylContact O-C 3.56Å; R530-D775 WeakPolarHBondContact O-CA 3.32Å; R530-V776 PolarHBondContact O-N 3.12Å; R530-D856 IonicContact CZ-OD1 2.7Å; R530-D856 IonicContact CZ-OD2 3.66Å; R530-D856 IonicContact NH1-OD1 2.67Å; R530-D856 PolarHBondContact NH1-OD1 3.37Å; R530-D856 IonicContact NH1-OD2 3.31Å; R530-D856 PolarHBondContact NH1-OD2 2.98Å; R530-S858 VanDerWaalsContact CZ-OG 3.29Å; R530-S858 PolarHBondContact NH1-OG 2.8Å; R530-S858 VanDerWaalsContact NH2-CB 3.33Å; R530-S858 PolarHBondContact NH2-OG 3.38Å
531	K	85.9	Confident	73.6	Confident	53 Å²	53	59.5 Å²	59.5	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.9	157.3	-170.8	-161.2	65.1	155.1	0	107.9	E533 V764 Y768 V776 D882	K531-E533 HydrophobicContact CD-CG 4Å; K531-E533 WeakPolarHBondContact CD-OE1 3.32Å; K531-E533 WeakPolarHBondContact CE-OE1 3.3Å; K531-E533 HydrophobicContact CG-CG 4.3Å; K531-E533 IonicContact NZ-OE1 2.73Å; K531-E533 PolarHBondContact NZ-OE1 3.49Å; K531-V764 HydrophobicContact CD-CG1 4.3Å; K531-Y768 HydrophobicContact CB-CD1 4.15Å; K531-Y768 HydrophobicContact CB-CD2 3.95Å; K531-Y768 HydrophobicContact CB-CE1 3.92Å; K531-Y768 HydrophobicContact CB-CE2 3.7Å; K531-Y768 HydrophobicContact CB-CG 4.18Å; K531-Y768 HydrophobicContact CD-CD1 4.2Å; K531-Y768 HydrophobicContact CD-CE1 4.48Å; K531-Y768 HydrophobicContact CG-CD1 4.35Å; K531-Y768 HydrophobicContact CG-CD2 4.41Å; K531-Y768 HydrophobicContact CG-CG 4.28Å; K531-V776 WeakPolarHBondContact CA-O 3.25Å; K531-D882 WeakPolarHBondContact CE-OD1 3.46Å; K531-D882 IonicContact NZ-OD1 2.69Å; K531-D882 PolarHBondContact NZ-OD1 3.21Å
532	T	86.8	Confident	75.6	Confident	10 Å²	10	57.6 Å²	57.6	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.7	169.1	-54.7	0	0	0	0	109.4	I534 V776 V777 V778 I859 F880	T532-I534 HydrophobicContact CG2-CG1 4.2Å; T532-V776 PolarHBondContact N-O 2.56Å; T532-V777 WeakPolarHBondContact O-CA 3.4Å; T532-V778 PolarHBondContact O-N 3.29Å; T532-I859 HydrophobicContact CG2-CD1 3.77Å; T532-I859 WeakPolarHBondContact OG1-CD1 3.39Å; T532-F880 HydrophobicContact CG2-CD1 3.93Å; T532-F880 HydrophobicContact CG2-CE1 3.77Å
533	E	88.3	Confident	77.8	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117	177.9	-61.3	-156.8	-147.8	0	0	111.1	K531 V778 R780 F880 H881	K531-E533 HydrophobicContact CD-CG 4Å; K531-E533 WeakPolarHBondContact CD-OE1 3.32Å; K531-E533 WeakPolarHBondContact CE-OE1 3.3Å; K531-E533 HydrophobicContact CG-CG 4.3Å; K531-E533 IonicContact NZ-OE1 2.73Å; K531-E533 PolarHBondContact NZ-OE1 3.49Å; E533-V778 HydrophobicContact CB-CB 4.32Å; E533-V778 HydrophobicContact CG-CB 3.87Å; E533-V778 HydrophobicContact CG-CG2 3.86Å; E533-R780 IonicContact OE2-NH2 3.73Å; E533-F880 WeakPolarHBondContact O-CA 3.31Å; E533-H881 HydrophobicContact CB-CB 3.75Å; E533-H881 PolarHBondContact O-N 2.81Å; E533-H881 IonicContact OE2-CD2 2.72Å; E533-H881 PolarHBondContact OE2-CD2 3.28Å
534	I	89.5	Confident	80.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123	-178.1	-54.2	176	0	0	0	108.7	T532 L536 V777 V778 R780 L863 L866 L878 F880	T532-I534 HydrophobicContact CG2-CG1 4.2Å; I534-L536 HydrophobicContact CG2-CG 4.49Å; I534-V777 HydrophobicContact CD1-CG1 3.77Å; I534-V777 HydrophobicContact CG1-CG1 4.35Å; I534-V778 PolarHBondContact N-O 2.9Å; I534-R780 PolarHBondContact O-N 2.69Å; I534-L863 HydrophobicContact CD1-CD2 3.93Å; I534-L866 HydrophobicContact CD1-CD1 4.07Å; I534-L878 HydrophobicContact CG2-CB 4.34Å; I534-L878 HydrophobicContact CG2-CD2 4.12Å; I534-F880 HydrophobicContact CG1-CD1 4.33Å; I534-F880 HydrophobicContact CG1-CE1 4.19Å
535	V	89.7	Confident	82.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.9	166.8	-176.2	0	0	0	0	108.5	W537 I782 Y792 L878 S879 H881	V535-W537 HydrophobicContact CG1-CD2 4.1Å; V535-W537 HydrophobicContact CG1-CH2 4.44Å; V535-W537 HydrophobicContact CG1-CZ2 3.84Å; V535-I782 HydrophobicContact CG1-CD1 3.63Å; V535-I782 HydrophobicContact CG1-CG1 4.21Å; V535-Y792 HydrophobicContact CG1-CE1 4.44Å; V535-Y792 HydrophobicContact CG2-CE1 4.25Å; V535-Y792 HydrophobicContact CG2-CE2 4.43Å; V535-Y792 WeakPolarHBondContact CG2-OH 3.48Å; V535-L878 WeakPolarHBondContact O-CA 3.32Å; V535-S879 WeakPolarHBondContact CB-O 3.3Å; V535-S879 PolarHBondContact N-O 3.48Å; V535-S879 PolarHBondContact O-N 3.04Å; V535-S879 VanDerWaalsContact O-N 3.17Å; V535-H881 HydrophobicContact CG2-CB 4.01Å
536	L	91	Very high	84.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.6	176	-76.9	149.2	0	0	0	108.4	I534 V538 F635 Y779 R780 L781 I782 L866 V875 L878	I534-L536 HydrophobicContact CG2-CG 4.49Å; L536-V538 HydrophobicContact CB-CG2 4.23Å; L536-V538 PolarHBondContact O-N 2.93Å; L536-F635 HydrophobicContact CD1-CE1 3.7Å; L536-F635 HydrophobicContact CD1-CE2 4.19Å; L536-F635 HydrophobicContact CD1-CZ 3.45Å; L536-F635 VanDerWaalsContact CD1-CZ 3.45Å; L536-F635 HydrophobicContact CD2-CE2 3.72Å; L536-F635 HydrophobicContact CD2-CZ 3.81Å; L536-F635 HydrophobicContact CG-CZ 4.25Å; L536-Y779 HydrophobicContact CD1-CD1 3.95Å; L536-Y779 HydrophobicContact CD1-CG 4.31Å; L536-R780 PolarHBondContact N-O 2.94Å; L536-L781 HydrophobicContact CB-CD2 3.92Å; L536-L781 HydrophobicContact CD1-CD2 3.64Å; L536-L781 HydrophobicContact CG-CD2 4.43Å; L536-I782 PolarHBondContact O-N 3.39Å; L536-L866 HydrophobicContact CD2-CD2 4.29Å; L536-V875 HydrophobicContact CD2-CG1 4.08Å; L536-V875 HydrophobicContact CD2-CG2 4.16Å; L536-L878 HydrophobicContact CD2-CD2 3.38Å; L536-L878 HydrophobicContact CG-CD2 4.17Å
537	W	90.7	Very high	85.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	98.9	176.3	-60.8	102.5	0	0	0	108.4	V535 I782 C784 E789 Y792 S838 T840 K841 L844 V875 Y876 G877 S879	V535-W537 HydrophobicContact CG1-CD2 4.1Å; V535-W537 HydrophobicContact CG1-CH2 4.44Å; V535-W537 HydrophobicContact CG1-CZ2 3.84Å; W537-I782 HydrophobicContact CE3-CB 4.21Å; W537-I782 HydrophobicContact CE3-CG2 3.97Å; W537-I782 HydrophobicContact CZ3-CB 4.24Å; W537-I782 HydrophobicContact CZ3-CD1 4.49Å; W537-I782 HydrophobicContact CZ3-CG2 3.65Å; W537-C784 VanDerWaalsContact C-SG 3.59Å; W537-E789 HydrophobicContact CH2-CG 4.31Å; W537-E789 HydrophobicContact CZ3-CB 4.15Å; W537-E789 HydrophobicContact CZ3-CG 3.77Å; W537-Y792 AromaticContact CH2-CD1 3.79Å; W537-Y792 HydrophobicContact CH2-CD1 3.79Å; W537-Y792 HydrophobicContact CH2-CE1 4.04Å; W537-Y792 HydrophobicContact CZ2-CD1 4.35Å; W537-Y792 HydrophobicContact CZ2-CE1 4.13Å; W537-S838 VanDerWaalsContact CE3-OG 3.22Å; W537-S838 WeakPolarHBondContact CZ3-OG 3.22Å; W537-T840 HydrophobicContact CH2-CG2 3.69Å; W537-T840 HydrophobicContact CZ2-CG2 4.06Å; W537-K841 HydrophobicContact CD2-CB 4.19Å; W537-K841 HydrophobicContact CG-CB 4.13Å; W537-K841 HydrophobicContact CG-CD 4.29Å; W537-L844 HydrophobicContact CZ2-CD1 4.09Å; W537-V875 CarbonylContact O-C 3.52Å; W537-V875 VanDerWaalsContact O-CA 3.3Å; W537-V875 WeakPolarHBondContact O-CA 3.31Å; W537-Y876 HydrophobicContact CB-CD1 4.45Å; W537-Y876 PolarHBondContact O-N 3.46Å; W537-G877 PolarHBondContact N-O 3.29Å; W537-G877 VanDerWaalsContact N-O 3.13Å; W537-S879 PolarHBondContact NE1-OG 3.27Å
538	V	91.5	Very high	86.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141	-171.5	178.8	0	0	0	0	110.1	L536 L781 I782 T783 C784 V874	L536-V538 HydrophobicContact CB-CG2 4.23Å; L536-V538 PolarHBondContact O-N 2.93Å; V538-L781 HydrophobicContact CG2-CD2 4.35Å; V538-I782 PolarHBondContact N-O 3.44Å; V538-T783 WeakPolarHBondContact O-CA 3.23Å; V538-C784 PolarHBondContact O-N 3.02Å; V538-C784 PolarHBondContact O-SG 3.24Å; V538-V874 WeakPolarHBondContact CA-O 3.5Å
539	Y	91.8	Very high	87.3	Confident	55 Å²	55	30.5 Å²	30.5	22%	0.216	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-76.8	150.2	172.8	-54.9	-63.1	0	0	0	111.5	R836 H873 V874 Y876	Y539-R836 HydrophobicContact CE1-CB 4.29Å; Y539-H873 WeakPolarHBondContact CD2-O 3.19Å; Y539-V874 VanDerWaalsContact CD2-C 3.41Å; Y539-V874 WeakPolarHBondContact CD2-O 3.46Å; Y539-V874 PolarHBondContact N-O 3.15Å; Y539-Y876 HydrophobicContact CE1-CD2 4.08Å; Y539-Y876 HydrophobicContact CE1-CG 4.24Å; Y539-Y876 WeakPolarHBondContact OH-CA 3.39Å
540	L	89.4	Confident	87.5	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.084	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-68.7	150	163.5	-68.2	-176.4	0	0	0	110.4	Q544 E545 T783 T786 T835	L540-Q544 HydrophobicContact CB-CB 3.95Å; L540-Q544 HydrophobicContact CD1-CB 4.47Å; L540-Q544 HydrophobicContact CD2-CB 4.08Å; L540-Q544 HydrophobicContact CG-CB 4.39Å; L540-E545 HydrophobicContact CB-CB 4.42Å; L540-T783 HydrophobicContact CD2-CG2 3.64Å; L540-T786 HydrophobicContact CD1-CG2 3.81Å; L540-T786 HydrophobicContact CD2-CG2 4.13Å; L540-T786 HydrophobicContact CG-CG2 4Å; L540-T835 HydrophobicContact CD1-CG2 4.16Å
541	S	89.1	Confident	87.6	Confident	15 Å²	15	28 Å²	28	11%	0.105	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-66.5	159.8	163.9	74.7	0	0	0	0	110.3	I543 Q544 E545 E629	S541-I543 PolarHBondContact O-N 3.45Å; S541-I543 VanDerWaalsContact OG-CG2 3.32Å; S541-I543 WeakPolarHBondContact OG-CG2 3.29Å; S541-Q544 WeakPolarHBondContact O-CB 3.47Å; S541-Q544 PolarHBondContact O-N 3.16Å; S541-Q544 VanDerWaalsContact O-N 3.16Å; S541-Q544 WeakPolarHBondContact OG-CB 3.27Å; S541-Q544 VanDerWaalsContact OG-CG 3.27Å; S541-Q544 WeakPolarHBondContact OG-CG 3.45Å; S541-Q544 PolarHBondContact OG-N 3.31Å; S541-Q544 PolarHBondContact OG-OE1 3Å; S541-E545 PolarHBondContact O-N 3.48Å; S541-E629 PolarHBondContact OG-O 3.06Å
542	S	86.3	Confident	87.3	Confident	106 Å²	106	26.7 Å²	26.7	74%	0.741	15%	0.145	S	C	*	.	H	α-helix	trans	-60.3	-34.4	177.7	50.4	0	0	0	0	113	S546	S542-S546 PolarHBondContact O-N 3.11Å
543	I	85.8	Confident	87	Confident	57 Å²	57	32.1 Å²	32.1	29%	0.292	17%	0.17	S	C	.	.	H	α-helix	trans	-74.1	-38.4	175.2	-170.5	165.4	0	0	0	111.9	S541 S546 T547 Y598 E629	S541-I543 PolarHBondContact O-N 3.45Å; S541-I543 VanDerWaalsContact OG-CG2 3.32Å; S541-I543 WeakPolarHBondContact OG-CG2 3.29Å; I543-S546 PolarHBondContact O-N 3.09Å; I543-T547 WeakPolarHBondContact O-CB 3.41Å; I543-T547 PolarHBondContact O-N 3.38Å; I543-T547 PolarHBondContact O-OG1 2.73Å; I543-Y598 HydrophobicContact CD1-CE2 4.05Å; I543-E629 HydrophobicContact CG2-CB 4.35Å; I543-E629 HydrophobicContact CG2-CG 4.31Å
544	Q	89.4	Confident	86.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-45.5	170.5	-78.5	176.4	-61.3	0	0	111.5	L540 S541 T547 Y548 L579 C580 E629	L540-Q544 HydrophobicContact CB-CB 3.95Å; L540-Q544 HydrophobicContact CD1-CB 4.47Å; L540-Q544 HydrophobicContact CD2-CB 4.08Å; L540-Q544 HydrophobicContact CG-CB 4.39Å; S541-Q544 WeakPolarHBondContact O-CB 3.47Å; S541-Q544 PolarHBondContact O-N 3.16Å; S541-Q544 VanDerWaalsContact O-N 3.16Å; S541-Q544 WeakPolarHBondContact OG-CB 3.27Å; S541-Q544 VanDerWaalsContact OG-CG 3.27Å; S541-Q544 WeakPolarHBondContact OG-CG 3.45Å; S541-Q544 PolarHBondContact OG-N 3.31Å; S541-Q544 PolarHBondContact OG-OE1 3Å; Q544-T547 PolarHBondContact O-N 3.13Å; Q544-Y548 WeakPolarHBondContact O-CB 3.37Å; Q544-Y548 PolarHBondContact O-N 2.74Å; Q544-L579 WeakPolarHBondContact CG-O 3.21Å; Q544-L579 PolarHBondContact NE2-O 2.94Å; Q544-C580 PolarHBondContact NE2-O 2.76Å; Q544-E629 WeakPolarHBondContact CG-O 3.28Å
545	E	86.3	Confident	85.7	Confident	41 Å²	41	38.2 Å²	38.2	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-44.7	179.4	179.5	170.4	170.3	0	0	112	L540 S541 Y548 R549 T835	L540-E545 HydrophobicContact CB-CB 4.42Å; S541-E545 PolarHBondContact O-N 3.48Å; E545-Y548 PolarHBondContact O-N 3.06Å; E545-R549 HydrophobicContact CG-CG 4.43Å; E545-R549 WeakPolarHBondContact O-CB 3.35Å; E545-R549 WeakPolarHBondContact O-CG 3.47Å; E545-R549 PolarHBondContact O-N 3.14Å; E545-R549 IonicContact OE1-CZ 2.75Å; E545-R549 IonicContact OE1-NE 3.58Å; E545-R549 PolarHBondContact OE1-NE 3.19Å; E545-R549 IonicContact OE1-NH2 3.57Å; E545-R549 PolarHBondContact OE1-NH2 3.46Å; E545-T835 HydrophobicContact CB-CG2 4.43Å; E545-T835 HydrophobicContact CG-CG2 3.86Å; E545-T835 PolarHBondContact OE1-OG1 2.95Å; E545-T835 WeakPolarHBondContact OE2-CB 3.48Å; E545-T835 PolarHBondContact OE2-OG1 2.82Å
546	S	85.3	Confident	84.8	Confident	58 Å²	58	41.9 Å²	41.9	41%	0.406	22%	0.222	S	C	.	.	H	α-helix	trans	-57.4	-59.7	173.6	-165.9	0	0	0	0	109.9	S542 I543 Y548 R549 D550	S542-S546 PolarHBondContact O-N 3.11Å; I543-S546 PolarHBondContact O-N 3.09Å; S546-Y548 PolarHBondContact O-N 3.04Å; S546-Y548 VanDerWaalsContact O-N 3.08Å; S546-R549 CarbonylContact O-C 3.51Å; S546-R549 WeakPolarHBondContact O-CA 3.27Å; S546-R549 PolarHBondContact O-N 2.87Å; S546-D550 WeakPolarHBondContact O-CB 3.05Å; S546-D550 PolarHBondContact O-N 2.84Å; S546-D550 PolarHBondContact OG-OD2 2.78Å
547	T	84.5	Confident	83.7	Confident	14 Å²	14	42 Å²	42	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-31	-175.6	-50.3	0	0	0	0	112.8	I543 Q544 F551 L579 L596	I543-T547 WeakPolarHBondContact O-CB 3.41Å; I543-T547 PolarHBondContact O-N 3.38Å; I543-T547 PolarHBondContact O-OG1 2.73Å; Q544-T547 PolarHBondContact O-N 3.13Å; T547-F551 WeakPolarHBondContact O-CB 3.34Å; T547-F551 PolarHBondContact O-N 3.35Å; T547-L579 HydrophobicContact CG2-CD1 4.31Å; T547-L579 HydrophobicContact CG2-CD2 3.54Å; T547-L596 HydrophobicContact CG2-CB 4.44Å; T547-L596 HydrophobicContact CG2-CD1 3.9Å; T547-L596 HydrophobicContact CG2-CD2 4.06Å; T547-L596 HydrophobicContact CG2-CG 4.35Å
548	Y	85.8	Confident	82.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72.4	-41.9	174.2	-162.8	-71.3	0	0	0	112.2	Q544 E545 S546 L552 L576 L579 V787 L832	Q544-Y548 WeakPolarHBondContact O-CB 3.37Å; Q544-Y548 PolarHBondContact O-N 2.74Å; E545-Y548 PolarHBondContact O-N 3.06Å; S546-Y548 PolarHBondContact O-N 3.04Å; S546-Y548 VanDerWaalsContact O-N 3.08Å; Y548-L552 HydrophobicContact CD1-CD1 3.85Å; Y548-L552 HydrophobicContact CD1-CG 4.25Å; Y548-L552 HydrophobicContact CE1-CD1 3.69Å; Y548-L552 HydrophobicContact CE1-CG 4.26Å; Y548-L552 WeakPolarHBondContact O-CG 3.29Å; Y548-L552 PolarHBondContact O-N 3Å; Y548-L552 VanDerWaalsContact O-N 3.11Å; Y548-L576 HydrophobicContact CD1-CD2 4.16Å; Y548-L576 HydrophobicContact CD2-CD2 4.03Å; Y548-L576 HydrophobicContact CE1-CD2 3.89Å; Y548-L576 HydrophobicContact CE2-CB 4.07Å; Y548-L576 HydrophobicContact CE2-CD2 3.73Å; Y548-L576 HydrophobicContact CE2-CG 4.44Å; Y548-L576 HydrophobicContact CG-CD2 4.24Å; Y548-L579 HydrophobicContact CD2-CB 4.16Å; Y548-V787 PolarHBondContact OH-N 3.01Å; Y548-L832 HydrophobicContact CD1-CB 4.43Å; Y548-L832 HydrophobicContact CD1-CD1 4.03Å; Y548-L832 HydrophobicContact CD1-CD2 3.89Å; Y548-L832 HydrophobicContact CD1-CG 4.34Å; Y548-L832 HydrophobicContact CE1-CB 4.24Å; Y548-L832 HydrophobicContact CE1-CD1 3.8Å; Y548-L832 HydrophobicContact CE1-CD2 4.4Å; Y548-L832 HydrophobicContact CE1-CG 4.36Å
549	R	84.9	Confident	81.4	Confident	86 Å²	86	50.4 Å²	50.4	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-44.2	172.9	-73.3	-178.6	-172.4	-67.7	-5.5	111.4	E545 S546 L552 Q553 L832	E545-R549 HydrophobicContact CG-CG 4.43Å; E545-R549 WeakPolarHBondContact O-CB 3.35Å; E545-R549 WeakPolarHBondContact O-CG 3.47Å; E545-R549 PolarHBondContact O-N 3.14Å; E545-R549 IonicContact OE1-CZ 2.75Å; E545-R549 IonicContact OE1-NE 3.58Å; E545-R549 PolarHBondContact OE1-NE 3.19Å; E545-R549 IonicContact OE1-NH2 3.57Å; E545-R549 PolarHBondContact OE1-NH2 3.46Å; S546-R549 CarbonylContact O-C 3.51Å; S546-R549 WeakPolarHBondContact O-CA 3.27Å; S546-R549 PolarHBondContact O-N 2.87Å; R549-L552 PolarHBondContact O-N 3.25Å; R549-Q553 WeakPolarHBondContact O-CG 3.32Å; R549-Q553 PolarHBondContact O-N 3.36Å; R549-L832 HydrophobicContact CG-CD2 3.55Å
550	D	83.3	Confident	80.1	Confident	66 Å²	66	48.6 Å²	48.6	35%	0.353	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-46.4	178.5	-59.4	-35.8	0	0	0	110.3	S546 L552 Q553 L554 L596	S546-D550 WeakPolarHBondContact O-CB 3.05Å; S546-D550 PolarHBondContact O-N 2.84Å; S546-D550 PolarHBondContact OG-OD2 2.78Å; D550-L552 PolarHBondContact O-N 3.2Å; D550-Q553 WeakPolarHBondContact O-CB 3.48Å; D550-Q553 PolarHBondContact O-N 3.07Å; D550-Q553 VanDerWaalsContact O-N 3.1Å; D550-L554 PolarHBondContact O-N 2.69Å; D550-L596 HydrophobicContact CB-CD2 4Å
551	F	83.9	Confident	78.7	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-42.7	176	-179.7	-94.6	0	0	0	113.1	T547 Q553 L554 V557 E572 I575 L576 L579 L594 L596	T547-F551 WeakPolarHBondContact O-CB 3.34Å; T547-F551 PolarHBondContact O-N 3.35Å; F551-Q553 PolarHBondContact O-N 3.01Å; F551-L554 HydrophobicContact CD2-CD1 3.78Å; F551-L554 HydrophobicContact CE2-CD1 4.29Å; F551-L554 HydrophobicContact CG-CD1 4.46Å; F551-L554 WeakPolarHBondContact O-CB 3.49Å; F551-L554 WeakPolarHBondContact O-CG 3.49Å; F551-L554 PolarHBondContact O-N 2.9Å; F551-V557 HydrophobicContact CD1-CG2 4.37Å; F551-V557 HydrophobicContact CE1-CG2 3.84Å; F551-V557 HydrophobicContact CE2-CG2 4.25Å; F551-V557 HydrophobicContact CZ-CG2 3.76Å; F551-E572 HydrophobicContact CE1-CB 4.22Å; F551-E572 HydrophobicContact CZ-CB 4.05Å; F551-E572 HydrophobicContact CZ-CG 4.18Å; F551-I575 HydrophobicContact CD1-CG2 4.41Å; F551-I575 HydrophobicContact CD2-CG2 3.76Å; F551-I575 HydrophobicContact CE1-CB 4.48Å; F551-I575 HydrophobicContact CE1-CG2 4.16Å; F551-I575 HydrophobicContact CE2-CB 4.12Å; F551-I575 HydrophobicContact CE2-CD1 3.91Å; F551-I575 HydrophobicContact CE2-CG2 3.48Å; F551-I575 VanDerWaalsContact CE2-CG2 3.48Å; F551-I575 HydrophobicContact CG-CG2 4.22Å; F551-I575 HydrophobicContact CZ-CB 3.93Å; F551-I575 HydrophobicContact CZ-CD1 4.02Å; F551-I575 HydrophobicContact CZ-CG2 3.69Å; F551-L576 HydrophobicContact CD1-CD2 3.45Å; F551-L576 VanDerWaalsContact CD1-CD2 3.45Å; F551-L576 HydrophobicContact CD1-CG 4.09Å; F551-L576 HydrophobicContact CE1-CD2 3.81Å; F551-L576 HydrophobicContact CE1-CG 3.92Å; F551-L579 HydrophobicContact CB-CD1 4.08Å; F551-L579 HydrophobicContact CG-CD1 4.34Å; F551-L594 HydrophobicContact CD2-CD1 4.03Å; F551-L594 HydrophobicContact CD2-CD2 4.34Å; F551-L594 HydrophobicContact CE2-CD1 3.86Å; F551-L594 HydrophobicContact CE2-CD2 3.87Å; F551-L594 HydrophobicContact CE2-CG 4.47Å; F551-L596 HydrophobicContact CB-CD2 4.22Å
552	L	80.7	Confident	77.4	Confident	26 Å²	26	52.5 Å²	52.5	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-21.6	175.1	-72.8	179.2	0	0	0	113.3	Y548 R549 D550 V557 L576 F830 L832	Y548-L552 HydrophobicContact CD1-CD1 3.85Å; Y548-L552 HydrophobicContact CD1-CG 4.25Å; Y548-L552 HydrophobicContact CE1-CD1 3.69Å; Y548-L552 HydrophobicContact CE1-CG 4.26Å; Y548-L552 WeakPolarHBondContact O-CG 3.29Å; Y548-L552 PolarHBondContact O-N 3Å; Y548-L552 VanDerWaalsContact O-N 3.11Å; R549-L552 PolarHBondContact O-N 3.25Å; D550-L552 PolarHBondContact O-N 3.2Å; L552-V557 HydrophobicContact CD2-CG1 4.42Å; L552-L576 HydrophobicContact CD2-CD1 4.26Å; L552-L576 HydrophobicContact CD2-CD2 4.16Å; L552-L576 HydrophobicContact CG-CD2 4.38Å; L552-F830 VanDerWaalsContact CD1-O 3.28Å; L552-F830 WeakPolarHBondContact CD1-O 3.36Å; L552-F830 HydrophobicContact CD2-CB 4.31Å; L552-F830 HydrophobicContact CD2-CD1 4.31Å; L552-F830 WeakPolarHBondContact CD2-O 3.42Å; L552-L832 HydrophobicContact CD1-CB 3.86Å
553	Q	80.4	Confident	76	Confident	124 Å²	124	50.9 Å²	50.9	58%	0.579	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-5.5	175.5	-75	-179.6	51.2	0	0	113.8	R549 D550 F551 K558	R549-Q553 WeakPolarHBondContact O-CG 3.32Å; R549-Q553 PolarHBondContact O-N 3.36Å; D550-Q553 WeakPolarHBondContact O-CB 3.48Å; D550-Q553 PolarHBondContact O-N 3.07Å; D550-Q553 VanDerWaalsContact O-N 3.1Å; F551-Q553 PolarHBondContact O-N 3.01Å; Q553-K558 WeakPolarHBondContact O-CE 3.32Å; Q553-K558 PolarHBondContact O-NZ 3Å
554	L	78.9	Confident	74.6	Confident	29 Å²	29	56.5 Å²	56.5	15%	0.152	27%	0.271	C	S	.	.	S	Bend	trans	-69.9	136.3	178.1	-57.4	174.7	0	0	0	111.4	D550 F551 N556 V557 K558 L594	D550-L554 PolarHBondContact O-N 2.69Å; F551-L554 HydrophobicContact CD2-CD1 3.78Å; F551-L554 HydrophobicContact CE2-CD1 4.29Å; F551-L554 HydrophobicContact CG-CD1 4.46Å; F551-L554 WeakPolarHBondContact O-CB 3.49Å; F551-L554 WeakPolarHBondContact O-CG 3.49Å; F551-L554 PolarHBondContact O-N 2.9Å; L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 WeakPolarHBondContact CB-OD1 3.34Å; L554-N556 PolarHBondContact O-N 2.86Å; L554-V557 HydrophobicContact CB-CG2 4.33Å; L554-V557 WeakPolarHBondContact O-CB 3.38Å; L554-V557 PolarHBondContact O-N 3.02Å; L554-K558 PolarHBondContact O-N 3.38Å; L554-L594 HydrophobicContact CD1-CB 3.86Å; L554-L594 HydrophobicContact CD1-CD2 3.85Å; L554-L594 HydrophobicContact CD1-CG 4.42Å; L554-L594 VanDerWaalsContact CD1-O 3.3Å; L554-L594 WeakPolarHBondContact CD1-O 3.3Å; L554-L594 VanDerWaalsContact CD2-O 3.22Å; L554-L594 WeakPolarHBondContact CD2-O 3.46Å
555	D	71	Confident	73	Confident	108 Å²	108	58.3 Å²	58.3	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-67.8	-27.7	-171.9	-61.5	-42.8	0	0	0	113.1	V557 K558 E559	D555-V557 VanDerWaalsContact C-N 3.33Å; D555-V557 PolarHBondContact O-N 2.9Å; D555-K558 PolarHBondContact O-N 3.37Å; D555-K558 WeakPolarHBondContact OD1-CD 3.36Å; D555-K558 IonicContact OD1-NZ 2.95Å; D555-K558 PolarHBondContact OD1-NZ 3Å; D555-E559 WeakPolarHBondContact O-CB 3.41Å; D555-E559 WeakPolarHBondContact O-CG 3.31Å; D555-E559 PolarHBondContact O-N 3.36Å
556	N	70	Confident	71.4	Confident	77 Å²	77	65.7 Å²	65.7	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-36.5	171.2	62.8	-21	0	0	0	112.7	L554 L560	L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 WeakPolarHBondContact CB-OD1 3.34Å; L554-N556 PolarHBondContact O-N 2.86Å; N556-L560 WeakPolarHBondContact O-CB 3.44Å; N556-L560 PolarHBondContact O-N 2.8Å
557	V	68.5	Low	70.1	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-47.5	174	-179.9	0	0	0	0	109.3	F551 L552 L554 D555 E559 L560 L561 E572	F551-V557 HydrophobicContact CD1-CG2 4.37Å; F551-V557 HydrophobicContact CE1-CG2 3.84Å; F551-V557 HydrophobicContact CE2-CG2 4.25Å; F551-V557 HydrophobicContact CZ-CG2 3.76Å; L552-V557 HydrophobicContact CD2-CG1 4.42Å; L554-V557 HydrophobicContact CB-CG2 4.33Å; L554-V557 WeakPolarHBondContact O-CB 3.38Å; L554-V557 PolarHBondContact O-N 3.02Å; D555-V557 VanDerWaalsContact C-N 3.33Å; D555-V557 PolarHBondContact O-N 2.9Å; V557-E559 PolarHBondContact O-N 3.5Å; V557-L560 PolarHBondContact O-N 3.1Å; V557-L561 HydrophobicContact CG1-CD1 4.08Å; V557-L561 HydrophobicContact CG1-CG 4.45Å; V557-L561 VanDerWaalsContact O-CG 3.32Å; V557-L561 WeakPolarHBondContact O-CG 3.32Å; V557-L561 PolarHBondContact O-N 3.08Å; V557-E572 HydrophobicContact CG2-CG 4.24Å
558	K	68.6	Low	68.9	Low	86 Å²	86	70.8 Å²	70.8	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-56.3	-47.6	176.1	-64	175.1	-167.1	145.5	0	112.5	Q553 L554 D555 L560 L561 M562	Q553-K558 WeakPolarHBondContact O-CE 3.32Å; Q553-K558 PolarHBondContact O-NZ 3Å; L554-K558 PolarHBondContact O-N 3.38Å; D555-K558 PolarHBondContact O-N 3.37Å; D555-K558 WeakPolarHBondContact OD1-CD 3.36Å; D555-K558 IonicContact OD1-NZ 2.95Å; D555-K558 PolarHBondContact OD1-NZ 3Å; K558-L560 VanDerWaalsContact C-N 3.28Å; K558-L560 PolarHBondContact O-N 3.46Å; K558-L561 PolarHBondContact O-N 2.87Å; K558-M562 VanDerWaalsContact O-CG 3.3Å; K558-M562 WeakPolarHBondContact O-CG 3.1Å; K558-M562 PolarHBondContact O-N 3.47Å
559	E	66.3	Low	68	Low	90 Å²	90	71.9 Å²	71.9	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-32.8	179.7	-77.4	-168.9	153.1	0	0	113.4	D555 V557 Q563 R564 T565	D555-E559 WeakPolarHBondContact O-CB 3.41Å; D555-E559 WeakPolarHBondContact O-CG 3.31Å; D555-E559 PolarHBondContact O-N 3.36Å; V557-E559 PolarHBondContact O-N 3.5Å; E559-Q563 PolarHBondContact O-N 3.21Å; E559-R564 PolarHBondContact O-N 3.19Å; E559-T565 HydrophobicContact CB-CG2 4.48Å
560	L	64.2	Low	67	Low	17 Å²	17	69.1 Å²	69.1	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-70.5	-42.1	174.4	-163.1	156.5	0	0	0	110.7	N556 V557 K558 Q563 R567 P569 E572	N556-L560 WeakPolarHBondContact O-CB 3.44Å; N556-L560 PolarHBondContact O-N 2.8Å; V557-L560 PolarHBondContact O-N 3.1Å; K558-L560 VanDerWaalsContact C-N 3.28Å; K558-L560 PolarHBondContact O-N 3.46Å; L560-Q563 PolarHBondContact O-N 2.95Å; L560-Q563 VanDerWaalsContact O-N 3.1Å; L560-R567 HydrophobicContact CD1-CB 3.98Å; L560-P569 HydrophobicContact CD2-CB 3.65Å; L560-P569 HydrophobicContact CD2-CG 4.32Å; L560-E572 HydrophobicContact CD1-CG 4.45Å
561	L	60.4	Low	66.2	Low	53 Å²	53	69.8 Å²	69.8	28%	0.277	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-35.6	174.9	-62.9	174.7	0	0	0	113	V557 K558 Q563 F830	V557-L561 HydrophobicContact CG1-CD1 4.08Å; V557-L561 HydrophobicContact CG1-CG 4.45Å; V557-L561 VanDerWaalsContact O-CG 3.32Å; V557-L561 WeakPolarHBondContact O-CG 3.32Å; V557-L561 PolarHBondContact O-N 3.08Å; K558-L561 PolarHBondContact O-N 2.87Å; L561-Q563 PolarHBondContact O-N 2.68Å; L561-F830 HydrophobicContact CD1-CB 3.79Å; L561-F830 HydrophobicContact CD1-CG 4.28Å; L561-F830 HydrophobicContact CD2-CB 3.65Å; L561-F830 HydrophobicContact CD2-CD1 3.99Å; L561-F830 HydrophobicContact CD2-CD2 3.34Å; L561-F830 HydrophobicContact CD2-CE1 4.47Å; L561-F830 HydrophobicContact CD2-CE2 3.9Å; L561-F830 HydrophobicContact CD2-CG 3.39Å; L561-F830 HydrophobicContact CD2-CZ 4.42Å; L561-F830 HydrophobicContact CG-CB 4.39Å; L561-F830 HydrophobicContact CG-CG 4.42Å
562	M	59.9	Low	65.8	Low	60 Å²	60	71 Å²	71	30%	0.296	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	5.3	172.9	-63.8	-176.2	111.9	0	0	113.7	K558 R564 M1218	K558-M562 VanDerWaalsContact O-CG 3.3Å; K558-M562 WeakPolarHBondContact O-CG 3.1Å; K558-M562 PolarHBondContact O-N 3.47Å; M562-R564 HydrophobicContact CB-CG 4.09Å; M562-R564 PolarHBondContact O-N 2.87Å; M562-M1218 HydrophobicContact CB-CE 4.5Å; M562-M1218 HydrophobicContact CB-SD 4.08Å; M562-M1218 HydrophobicContact CE-CE 3.86Å; M562-M1218 HydrophobicContact CE-SD 3.87Å; M562-M1218 HydrophobicContact CG-CE 4Å; M562-M1218 HydrophobicContact CG-SD 4.1Å
563	Q	58.7	Low	65.5	Low	73 Å²	73	70.3 Å²	70.3	34%	0.341	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	26.4	-174	-67.3	-154.5	-20.5	0	0	115.8	E559 L560 L561 T565 I1220	E559-Q563 PolarHBondContact O-N 3.21Å; L560-Q563 PolarHBondContact O-N 2.95Å; L560-Q563 VanDerWaalsContact O-N 3.1Å; L561-Q563 PolarHBondContact O-N 2.68Å; Q563-T565 PolarHBondContact O-N 3.01Å; Q563-I1220 HydrophobicContact CB-CD1 4.37Å; Q563-I1220 HydrophobicContact CB-CG1 4.1Å; Q563-I1220 VanDerWaalsContact CD-CG2 3.49Å; Q563-I1220 HydrophobicContact CG-CD1 3.93Å; Q563-I1220 HydrophobicContact CG-CG1 3.81Å; Q563-I1220 HydrophobicContact CG-CG2 4.25Å
564	R	55.1	Low	65.3	Low	175 Å²	175	67.6 Å²	67.6	66%	0.66	33%	0.327	S	S	*	.			trans	-70.1	-20.3	172.9	-66.3	-178.1	178.5	-178.5	0.2	111.9	E559 M562	E559-R564 PolarHBondContact O-N 3.19Å; M562-R564 HydrophobicContact CB-CG 4.09Å; M562-R564 PolarHBondContact O-N 2.87Å
565	T	55.4	Low	65.5	Low	39 Å²	39	66.7 Å²	66.7	24%	0.239	32%	0.322	C	S	.	.	S	Bend	trans	-117.8	142.5	173.9	71.3	0	0	0	0	111.3	E559 Q563 R567	E559-T565 HydrophobicContact CB-CG2 4.48Å; Q563-T565 PolarHBondContact O-N 3.01Å; T565-R567 PolarHBondContact O-N 2.75Å; T565-R567 VanDerWaalsContact O-N 3.17Å
566	K	54.2	Low	66.1	Low	195 Å²	195	61.5 Å²	61.5	85%	0.848	30%	0.295	S	S	*	.			trans	-81.3	25.7	172.3	-64	-176.8	177.4	179.8	0	112.6
567	R	57.1	Low	67	Low	113 Å²	113	58.6 Å²	58.6	43%	0.426	28%	0.278	S	S	.	.			trans	-81.1	147.8	-179.6	-74.5	-177.1	170	154.1	0.8	110.1	L560 T565 S1245 I1247	L560-R567 HydrophobicContact CD1-CB 3.98Å; T565-R567 PolarHBondContact O-N 2.75Å; T565-R567 VanDerWaalsContact O-N 3.17Å; R567-S1245 PolarHBondContact NE-O 3.42Å; R567-S1245 PolarHBondContact NH2-O 3.15Å; R567-I1247 VanDerWaalsContact NH2-CG1 3.35Å
568	S	59.9	Low	67.9	Low	66 Å²	66	60.1 Å²	60.1	46%	0.462	29%	0.285	S	S	.	.			trans	-81.3	129.5	179.4	-176.9	0	0	0	0	110.1	L570	S568-L570 PolarHBondContact O-N 2.65Å
569	P	66	Low	68.8	Low	24 Å²	24	56 Å²	56	16%	0.156	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	3.8	178.2	22.8	-32.1	0	0	0	115.4	L560 M571 E572 L573 F830 I1224	L560-P569 HydrophobicContact CD2-CB 3.65Å; L560-P569 HydrophobicContact CD2-CG 4.32Å; P569-M571 PolarHBondContact O-N 2.97Å; P569-E572 WeakPolarHBondContact CA-OE2 3.47Å; P569-E572 PolarHBondContact O-N 2.89Å; P569-L573 HydrophobicContact CB-CD1 4.4Å; P569-L573 WeakPolarHBondContact O-CB 3.37Å; P569-L573 VanDerWaalsContact O-CG 3.28Å; P569-L573 WeakPolarHBondContact O-CG 3.22Å; P569-L573 PolarHBondContact O-N 2.89Å; P569-F830 HydrophobicContact CB-CE2 4.38Å; P569-F830 HydrophobicContact CB-CZ 3.83Å; P569-I1224 HydrophobicContact CG-CD1 4.18Å
570	L	64.3	Low	69.9	Low	27 Å²	27	51.8 Å²	51.8	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-34.1	-171.1	-87.3	173.3	0	0	0	113.6	S568 V574 L1229 T1232	S568-L570 PolarHBondContact O-N 2.65Å; L570-V574 VanDerWaalsContact O-CG2 3.29Å; L570-V574 WeakPolarHBondContact O-CG2 3.3Å; L570-V574 PolarHBondContact O-N 3.32Å; L570-V574 VanDerWaalsContact O-N 3.14Å; L570-L1229 HydrophobicContact CD1-CD1 4.28Å; L570-L1229 HydrophobicContact CD2-CD1 3.56Å; L570-L1229 HydrophobicContact CD2-CG 4.11Å; L570-L1229 HydrophobicContact CG-CD1 4Å; L570-T1232 HydrophobicContact CD1-CG2 3.69Å
571	M	67.8	Low	71.2	Confident	80 Å²	80	51.2 Å²	51.2	39%	0.394	24%	0.244	S	C	.	.	H	α-helix	trans	-72.2	-40.6	-179.6	-172.5	63.2	-158.1	0	0	110.5	P569 V574 I575	P569-M571 PolarHBondContact O-N 2.97Å; M571-V574 PolarHBondContact O-N 2.89Å; M571-I575 HydrophobicContact CE-CD1 3.98Å; M571-I575 HydrophobicContact CE-CG1 4.06Å; M571-I575 HydrophobicContact CG-CD1 4.11Å; M571-I575 WeakPolarHBondContact O-CG1 3.41Å; M571-I575 PolarHBondContact O-N 3.3Å
572	E	73.8	Confident	72.6	Confident	28 Å²	28	48.7 Å²	48.7	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-44.3	178.7	-61.4	67.1	-150.6	0	0	110.1	F551 V557 L560 P569 V574 I575 L576 F830	F551-E572 HydrophobicContact CE1-CB 4.22Å; F551-E572 HydrophobicContact CZ-CB 4.05Å; F551-E572 HydrophobicContact CZ-CG 4.18Å; V557-E572 HydrophobicContact CG2-CG 4.24Å; L560-E572 HydrophobicContact CD1-CG 4.45Å; P569-E572 WeakPolarHBondContact CA-OE2 3.47Å; P569-E572 PolarHBondContact O-N 2.89Å; E572-V574 VanDerWaalsContact C-N 3.32Å; E572-V574 PolarHBondContact O-N 2.9Å; E572-I575 PolarHBondContact O-N 3.3Å; E572-L576 WeakPolarHBondContact O-CG 3.34Å; E572-L576 PolarHBondContact O-N 3.33Å; E572-F830 HydrophobicContact CB-CE1 4.33Å
573	L	75.2	Confident	73.8	Confident	11 Å²	11	46 Å²	46	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-36.8	173.2	-72.3	168.1	0	0	0	113	P569 K577 W755 V787 F830	P569-L573 HydrophobicContact CB-CD1 4.4Å; P569-L573 WeakPolarHBondContact O-CB 3.37Å; P569-L573 VanDerWaalsContact O-CG 3.28Å; P569-L573 WeakPolarHBondContact O-CG 3.22Å; P569-L573 PolarHBondContact O-N 2.89Å; L573-K577 PolarHBondContact O-N 3.12Å; L573-W755 HydrophobicContact CB-CZ2 4.34Å; L573-W755 HydrophobicContact CD1-CH2 4.22Å; L573-W755 HydrophobicContact CD1-CZ2 4.48Å; L573-W755 HydrophobicContact CD2-CH2 4.41Å; L573-V787 HydrophobicContact CD2-CG2 3.77Å; L573-F830 HydrophobicContact CD1-CZ 4.29Å; L573-F830 HydrophobicContact CD2-CE1 3.93Å; L573-F830 HydrophobicContact CD2-CE2 4.2Å; L573-F830 HydrophobicContact CD2-CZ 3.57Å; L573-F830 HydrophobicContact CG-CE1 4.16Å; L573-F830 HydrophobicContact CG-CZ 3.68Å
574	V	76	Confident	74.9	Confident	67 Å²	67	45.4 Å²	45.4	41%	0.406	21%	0.212	S	C	.	.	H	α-helix	trans	-69.4	-37.6	174.9	167.5	0	0	0	0	111.5	L570 M571 E572 K578	L570-V574 VanDerWaalsContact O-CG2 3.29Å; L570-V574 WeakPolarHBondContact O-CG2 3.3Å; L570-V574 PolarHBondContact O-N 3.32Å; L570-V574 VanDerWaalsContact O-N 3.14Å; M571-V574 PolarHBondContact O-N 2.89Å; E572-V574 VanDerWaalsContact C-N 3.32Å; E572-V574 PolarHBondContact O-N 2.9Å; V574-K578 WeakPolarHBondContact O-CG 3.49Å; V574-K578 PolarHBondContact O-N 3.19Å
575	I	82.6	Confident	76.2	Confident	9 Å²	9	37.1 Å²	37.1	5%	0.046	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-48.7	174.1	-69.4	159.4	0	0	0	110.6	F551 M571 E572 K577 K578 L579 L586 L594	F551-I575 HydrophobicContact CD1-CG2 4.41Å; F551-I575 HydrophobicContact CD2-CG2 3.76Å; F551-I575 HydrophobicContact CE1-CB 4.48Å; F551-I575 HydrophobicContact CE1-CG2 4.16Å; F551-I575 HydrophobicContact CE2-CB 4.12Å; F551-I575 HydrophobicContact CE2-CD1 3.91Å; F551-I575 HydrophobicContact CE2-CG2 3.48Å; F551-I575 VanDerWaalsContact CE2-CG2 3.48Å; F551-I575 HydrophobicContact CG-CG2 4.22Å; F551-I575 HydrophobicContact CZ-CB 3.93Å; F551-I575 HydrophobicContact CZ-CD1 4.02Å; F551-I575 HydrophobicContact CZ-CG2 3.69Å; M571-I575 HydrophobicContact CE-CD1 3.98Å; M571-I575 HydrophobicContact CE-CG1 4.06Å; M571-I575 HydrophobicContact CG-CD1 4.11Å; M571-I575 WeakPolarHBondContact O-CG1 3.41Å; M571-I575 PolarHBondContact O-N 3.3Å; E572-I575 PolarHBondContact O-N 3.3Å; I575-K577 VanDerWaalsContact C-N 3.32Å; I575-K577 PolarHBondContact O-N 3.35Å; I575-K578 WeakPolarHBondContact O-CB 3.44Å; I575-K578 PolarHBondContact O-N 3.15Å; I575-K578 VanDerWaalsContact O-N 3.09Å; I575-L579 HydrophobicContact CG2-CD1 4.2Å; I575-L579 HydrophobicContact CG2-CG 4.44Å; I575-L579 WeakPolarHBondContact O-CG 3.35Å; I575-L579 PolarHBondContact O-N 3.06Å; I575-L586 HydrophobicContact CB-CD2 4.43Å; I575-L586 HydrophobicContact CG1-CD2 4.2Å; I575-L586 HydrophobicContact CG2-CD1 4.2Å; I575-L586 HydrophobicContact CG2-CD2 4.02Å; I575-L594 HydrophobicContact CD1-CD1 4.13Å; I575-L594 HydrophobicContact CG2-CD1 4.47Å
576	L	85.2	Confident	77.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-44.2	176.7	-70.4	178.5	0	0	0	111.8	Y548 F551 L552 E572 L579 C580 V787 F830	Y548-L576 HydrophobicContact CD1-CD2 4.16Å; Y548-L576 HydrophobicContact CD2-CD2 4.03Å; Y548-L576 HydrophobicContact CE1-CD2 3.89Å; Y548-L576 HydrophobicContact CE2-CB 4.07Å; Y548-L576 HydrophobicContact CE2-CD2 3.73Å; Y548-L576 HydrophobicContact CE2-CG 4.44Å; Y548-L576 HydrophobicContact CG-CD2 4.24Å; F551-L576 HydrophobicContact CD1-CD2 3.45Å; F551-L576 VanDerWaalsContact CD1-CD2 3.45Å; F551-L576 HydrophobicContact CD1-CG 4.09Å; F551-L576 HydrophobicContact CE1-CD2 3.81Å; F551-L576 HydrophobicContact CE1-CG 3.92Å; L552-L576 HydrophobicContact CD2-CD1 4.26Å; L552-L576 HydrophobicContact CD2-CD2 4.16Å; L552-L576 HydrophobicContact CG-CD2 4.38Å; E572-L576 WeakPolarHBondContact O-CG 3.34Å; E572-L576 PolarHBondContact O-N 3.33Å; L576-L579 PolarHBondContact O-N 3.03Å; L576-C580 PolarHBondContact O-N 3.49Å; L576-C580 VanDerWaalsContact O-N 3.1Å; L576-C580 PolarHBondContact O-SG 3.11Å; L576-V787 HydrophobicContact CB-CB 4.42Å; L576-V787 HydrophobicContact CB-CG1 3.92Å; L576-F830 HydrophobicContact CD1-CD1 3.76Å; L576-F830 HydrophobicContact CD1-CE1 3.89Å
577	K	87	Confident	77.7	Confident	16 Å²	16	28.2 Å²	28.2	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-46	174.4	-179.1	175.3	171.3	177.6	0	111.9	L573 I575 L579 C580 D581 Q663 D752 P753	L573-K577 PolarHBondContact O-N 3.12Å; I575-K577 VanDerWaalsContact C-N 3.32Å; I575-K577 PolarHBondContact O-N 3.35Å; K577-L579 PolarHBondContact O-N 3.09Å; K577-C580 WeakPolarHBondContact O-CB 3.44Å; K577-C580 PolarHBondContact O-N 3.49Å; K577-D581 PolarHBondContact O-N 3.47Å; K577-Q663 VanDerWaalsContact NZ-CD 3.26Å; K577-D752 VanDerWaalsContact CE-OD2 3.31Å; K577-D752 WeakPolarHBondContact CE-OD2 3.31Å; K577-D752 IonicContact NZ-OD2 2.72Å; K577-D752 PolarHBondContact NZ-OD2 2.97Å; K577-P753 PolarHBondContact NZ-O 2.9Å
578	K	88	Confident	77.9	Confident	34 Å²	34	28.2 Å²	28.2	15%	0.148	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-35.5	176.9	-80.1	-174.6	166.1	-156.7	0	112.6	V574 I575 D581 H582 L585 L586 E1112	V574-K578 WeakPolarHBondContact O-CG 3.49Å; V574-K578 PolarHBondContact O-N 3.19Å; I575-K578 WeakPolarHBondContact O-CB 3.44Å; I575-K578 PolarHBondContact O-N 3.15Å; I575-K578 VanDerWaalsContact O-N 3.09Å; K578-D581 PolarHBondContact O-N 3.34Å; K578-H582 CarbonylContact O-C 3.58Å; K578-H582 PolarHBondContact O-N 3.08Å; K578-L585 HydrophobicContact CB-CB 4.16Å; K578-L585 HydrophobicContact CD-CB 4.23Å; K578-L585 HydrophobicContact CG-CB 4.21Å; K578-L585 PolarHBondContact NZ-O 3Å; K578-L585 VanDerWaalsContact NZ-O 3.12Å; K578-L586 HydrophobicContact CB-CD2 4.09Å; K578-L586 HydrophobicContact CD-CD2 4.14Å; K578-E1112 IonicContact NZ-OE1 2.84Å; K578-E1112 PolarHBondContact NZ-OE1 3.05Å
579	L	88	Confident	77.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-39	173.5	-68.8	175.7	0	0	0	112.2	Q544 T547 Y548 F551 I575 L576 K577 D581 P583 L586	Q544-L579 WeakPolarHBondContact CG-O 3.21Å; Q544-L579 PolarHBondContact NE2-O 2.94Å; T547-L579 HydrophobicContact CG2-CD1 4.31Å; T547-L579 HydrophobicContact CG2-CD2 3.54Å; Y548-L579 HydrophobicContact CD2-CB 4.16Å; F551-L579 HydrophobicContact CB-CD1 4.08Å; F551-L579 HydrophobicContact CG-CD1 4.34Å; I575-L579 HydrophobicContact CG2-CD1 4.2Å; I575-L579 HydrophobicContact CG2-CG 4.44Å; I575-L579 WeakPolarHBondContact O-CG 3.35Å; I575-L579 PolarHBondContact O-N 3.06Å; L576-L579 PolarHBondContact O-N 3.03Å; K577-L579 PolarHBondContact O-N 3.09Å; L579-D581 VanDerWaalsContact C-N 3.29Å; L579-D581 PolarHBondContact O-N 2.76Å; L579-P583 HydrophobicContact CD2-CB 4.26Å; L579-L586 HydrophobicContact CD2-CD1 3.79Å; L579-L586 HydrophobicContact CD2-CG 4.45Å; L579-L586 HydrophobicContact CG-CD1 4.36Å
580	C	89.9	Confident	77.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-32	172.8	-62.7	0	0	0	0	113.4	Q544 L576 K577 K632 T783 T786 E788	Q544-C580 PolarHBondContact NE2-O 2.76Å; L576-C580 PolarHBondContact O-N 3.49Å; L576-C580 VanDerWaalsContact O-N 3.1Å; L576-C580 PolarHBondContact O-SG 3.11Å; K577-C580 WeakPolarHBondContact O-CB 3.44Å; K577-C580 PolarHBondContact O-N 3.49Å; C580-K632 WeakPolarHBondContact O-CE 3.48Å; C580-T783 HydrophobicContact CB-CG2 4.25Å; C580-T783 WeakPolarHBondContact CB-OG1 3.44Å; C580-T783 PolarHBondContact SG-OG1 2.67Å; C580-T786 VanDerWaalsContact SG-CB 3.55Å; C580-T786 PolarHBondContact SG-OG1 2.92Å; C580-E788 HydrophobicContact CB-CG 3.85Å
581	D	90.5	Very high	77	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-74.7	-67.6	175.7	-72.5	-30.2	0	0	0	111.8	K577 K578 L579 L585 S630 K632 F667 D752	K577-D581 PolarHBondContact O-N 3.47Å; K578-D581 PolarHBondContact O-N 3.34Å; L579-D581 VanDerWaalsContact C-N 3.29Å; L579-D581 PolarHBondContact O-N 2.76Å; D581-L585 HydrophobicContact CB-CD1 3.5Å; D581-L585 VanDerWaalsContact CB-CD1 3.5Å; D581-S630 WeakPolarHBondContact O-CB 3.43Å; D581-S630 PolarHBondContact O-OG 3.39Å; D581-K632 IonicContact OD1-NZ 3.42Å; D581-K632 PolarHBondContact OD1-NZ 3.23Å; D581-F667 HydrophobicContact CB-CD1 4.01Å; D581-F667 HydrophobicContact CB-CD2 4.43Å; D581-F667 HydrophobicContact CB-CE1 3.64Å; D581-F667 HydrophobicContact CB-CE2 4.12Å; D581-F667 HydrophobicContact CB-CG 4.41Å; D581-F667 HydrophobicContact CB-CZ 3.73Å; D581-F667 WeakPolarHBondContact O-CE2 3.31Å; D581-F667 WeakPolarHBondContact O-CZ 3.35Å; D581-F667 WeakPolarHBondContact OD1-CE1 3.27Å; D581-D752 VanDerWaalsContact OD1-CB 3.23Å; D581-D752 WeakPolarHBondContact OD1-CB 3.39Å
582	H	89.8	Confident	76.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.			trans	-165.2	131.1	177	-169.2	-81.7	0	0	0	110.4	K578 R584 L585 L626 E629 S630 F633 F667 M670	K578-H582 CarbonylContact O-C 3.58Å; K578-H582 PolarHBondContact O-N 3.08Å; H582-R584 VanDerWaalsContact C-N 3.3Å; H582-R584 PolarHBondContact ND1-N 3.47Å; H582-R584 PolarHBondContact O-N 2.87Å; H582-R584 VanDerWaalsContact O-N 3.16Å; H582-L585 HydrophobicContact CB-CD1 4.05Å; H582-L585 HydrophobicContact CB-CG 4.13Å; H582-L585 WeakPolarHBondContact O-CB 3.41Å; H582-L585 WeakPolarHBondContact O-CG 3.27Å; H582-L585 PolarHBondContact O-N 2.61Å; H582-L626 WeakPolarHBondContact NE2-CD2 3.27Å; H582-E629 IonicContact CE1-OE2 3.83Å; H582-E629 PolarHBondContact CE1-OE2 3.37Å; H582-E629 VanDerWaalsContact CE1-OE2 3.27Å; H582-E629 IonicContact NE2-OE2 3.24Å; H582-S630 VanDerWaalsContact CD2-CB 3.46Å; H582-S630 WeakPolarHBondContact CD2-CB 3.14Å; H582-F633 HydrophobicContact CB-CE2 4.4Å; H582-F633 AromaticContact CD2-CD2 3.52Å; H582-F633 AromaticContact CD2-CE2 3.55Å; H582-F667 HydrophobicContact CB-CD2 4.22Å; H582-F667 HydrophobicContact CB-CE2 3.97Å; H582-M670 HydrophobicContact CB-SD 4.28Å
583	P	84.8	Confident	75.7	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.019	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.1	-35	-171	23.8	-34	0	0	0	113.5	L579 L585 L586 Y598 E629	L579-P583 HydrophobicContact CD2-CB 4.26Å; P583-L585 PolarHBondContact O-N 3.16Å; P583-L586 PolarHBondContact O-N 3.05Å; P583-Y598 HydrophobicContact CB-CE2 4.02Å; P583-Y598 HydrophobicContact CG-CE2 4.18Å; P583-E629 HydrophobicContact CG-CB 4.43Å
584	R	81.6	Confident	75	Confident	61 Å²	61	39.9 Å²	39.9	23%	0.23	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-68.7	11.4	174.1	-55.1	-170.4	-172.6	-112.1	5.5	115.8	H582 L586 Y598 D600 E629 M670	H582-R584 VanDerWaalsContact C-N 3.3Å; H582-R584 PolarHBondContact ND1-N 3.47Å; H582-R584 PolarHBondContact O-N 2.87Å; H582-R584 VanDerWaalsContact O-N 3.16Å; R584-L586 VanDerWaalsContact C-N 3.35Å; R584-Y598 HydrophobicContact CG-CE1 4.44Å; R584-Y598 VanDerWaalsContact CZ-CE1 3.45Å; R584-Y598 PolarHBondContact NE-OH 3.06Å; R584-D600 IonicContact CZ-OD1 2.8Å; R584-D600 IonicContact NH1-OD1 3.27Å; R584-D600 PolarHBondContact NH1-OD1 3.04Å; R584-D600 IonicContact NH2-OD1 3.66Å; R584-D600 PolarHBondContact NH2-OD1 3.2Å; R584-D600 VanDerWaalsContact NH2-OD1 3.07Å; R584-E629 WeakPolarHBondContact CD-OE2 3.4Å; R584-E629 IonicContact CZ-OE1 2.71Å; R584-E629 IonicContact CZ-OE2 3.28Å; R584-E629 IonicContact NE-OE1 2.65Å; R584-E629 PolarHBondContact NE-OE1 3.32Å; R584-E629 IonicContact NE-OE2 2.95Å; R584-E629 PolarHBondContact NE-OE2 3.28Å; R584-E629 IonicContact NH2-OE1 2.69Å; R584-E629 PolarHBondContact NH2-OE1 2.82Å; R584-E629 IonicContact NH2-OE2 2.72Å; R584-M670 HydrophobicContact CB-CE 4.17Å
585	L	82.6	Confident	73.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-84.5	-11.5	168.3	-67.8	170.6	0	0	0	113.2	K578 D581 H582 P583 K666 F667 M670	K578-L585 HydrophobicContact CB-CB 4.16Å; K578-L585 HydrophobicContact CD-CB 4.23Å; K578-L585 HydrophobicContact CG-CB 4.21Å; K578-L585 PolarHBondContact NZ-O 3Å; K578-L585 VanDerWaalsContact NZ-O 3.12Å; D581-L585 HydrophobicContact CB-CD1 3.5Å; D581-L585 VanDerWaalsContact CB-CD1 3.5Å; H582-L585 HydrophobicContact CB-CD1 4.05Å; H582-L585 HydrophobicContact CB-CG 4.13Å; H582-L585 WeakPolarHBondContact O-CB 3.41Å; H582-L585 WeakPolarHBondContact O-CG 3.27Å; H582-L585 PolarHBondContact O-N 2.61Å; P583-L585 PolarHBondContact O-N 3.16Å; L585-K666 HydrophobicContact CD2-CB 3.63Å; L585-F667 HydrophobicContact CD1-CB 4.1Å; L585-F667 HydrophobicContact CD1-CD2 4.05Å; L585-F667 HydrophobicContact CD1-CG 4.09Å; L585-F667 HydrophobicContact CD2-CB 4.08Å; L585-M670 HydrophobicContact CD2-CE 3.91Å; L585-M670 HydrophobicContact CD2-SD 4.32Å; L585-M670 HydrophobicContact CG-CE 4.4Å
586	L	75.1	Confident	72.6	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.063	23%	0.226	C	C	.	.	S	Bend	trans	-77.4	147.2	162.8	-53.9	-176.3	0	0	0	109.6	I575 K578 L579 P583 R584 Q590 L596	I575-L586 HydrophobicContact CB-CD2 4.43Å; I575-L586 HydrophobicContact CG1-CD2 4.2Å; I575-L586 HydrophobicContact CG2-CD1 4.2Å; I575-L586 HydrophobicContact CG2-CD2 4.02Å; K578-L586 HydrophobicContact CB-CD2 4.09Å; K578-L586 HydrophobicContact CD-CD2 4.14Å; L579-L586 HydrophobicContact CD2-CD1 3.79Å; L579-L586 HydrophobicContact CD2-CG 4.45Å; L579-L586 HydrophobicContact CG-CD1 4.36Å; P583-L586 PolarHBondContact O-N 3.05Å; R584-L586 VanDerWaalsContact C-N 3.35Å; L586-Q590 HydrophobicContact CB-CB 4.18Å; L586-L596 HydrophobicContact CD1-CD1 3.96Å
587	S	66.8	Low	70.9	Confident	36 Å²	36	51 Å²	51	25%	0.252	27%	0.267	S	S	.	.			trans	-75.3	158.8	170.6	66.6	0	0	0	0	111.2	E589 Q590 C591	S587-E589 PolarHBondContact O-N 3.26Å; S587-Q590 WeakPolarHBondContact O-CA 3.33Å; S587-Q590 WeakPolarHBondContact O-CB 3.18Å; S587-Q590 PolarHBondContact O-N 3.36Å; S587-Q590 WeakPolarHBondContact OG-CG 3.44Å; S587-Q590 PolarHBondContact OG-N 3.32Å; S587-Q590 VanDerWaalsContact OG-N 3.14Å; S587-C591 PolarHBondContact O-N 3.15Å
588	T	61.1	Low	69.1	Low	113 Å²	113	52.8 Å²	52.8	69%	0.693	27%	0.274	S	S	*	.	H	α-helix	trans	-55.7	-39.4	173.8	-40.6	0	0	0	0	111.4	Q590 C591 L592	T588-Q590 VanDerWaalsContact C-N 3.34Å; T588-Q590 PolarHBondContact O-N 3.45Å; T588-C591 PolarHBondContact O-N 3.48Å; T588-L592 HydrophobicContact CG2-CD1 4.23Å; T588-L592 WeakPolarHBondContact O-CB 3.34Å; T588-L592 VanDerWaalsContact O-CG 3.26Å; T588-L592 WeakPolarHBondContact O-CG 3.45Å; T588-L592 PolarHBondContact O-N 3.38Å
589	E	54.2	Low	67.1	Low	130 Å²	130	58.4 Å²	58.4	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-60.7	-39.4	172.5	-58.5	170	149.6	0	0	112.4	S587 N593	S587-E589 PolarHBondContact O-N 3.26Å; E589-N593 WeakPolarHBondContact O-CB 3.02Å; E589-N593 PolarHBondContact O-N 2.99Å; E589-N593 PolarHBondContact O-ND2 3.19Å; E589-N593 VanDerWaalsContact O-ND2 3.11Å
590	Q	59.2	Low	65.1	Low	54 Å²	54	62.5 Å²	62.5	25%	0.252	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-42.7	175.5	-76	170.4	-23.7	0	0	111.1	L586 S587 T588 L594	L586-Q590 HydrophobicContact CB-CB 4.18Å; S587-Q590 WeakPolarHBondContact O-CA 3.33Å; S587-Q590 WeakPolarHBondContact O-CB 3.18Å; S587-Q590 PolarHBondContact O-N 3.36Å; S587-Q590 WeakPolarHBondContact OG-CG 3.44Å; S587-Q590 PolarHBondContact OG-N 3.32Å; S587-Q590 VanDerWaalsContact OG-N 3.14Å; T588-Q590 VanDerWaalsContact C-N 3.34Å; T588-Q590 PolarHBondContact O-N 3.45Å; Q590-L594 WeakPolarHBondContact O-CB 3.26Å; Q590-L594 WeakPolarHBondContact O-CD1 3.48Å; Q590-L594 WeakPolarHBondContact O-CG 3.35Å; Q590-L594 PolarHBondContact O-N 2.97Å
591	C	58.7	Low	62.7	Low	19 Å²	19	65.4 Å²	65.4	13%	0.128	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-45.2	174.9	-61.2	0	0	0	0	111.7	S587 T588 L594 N595 L596	S587-C591 PolarHBondContact O-N 3.15Å; T588-C591 PolarHBondContact O-N 3.48Å; C591-L594 CarbonylContact O-C 3.58Å; C591-L594 PolarHBondContact O-N 3.1Å; C591-N595 PolarHBondContact O-N 2.92Å; C591-N595 VanDerWaalsContact O-N 3.12Å; C591-L596 HydrophobicContact CB-CB 4.42Å; C591-L596 PolarHBondContact O-N 3.07Å
592	L	56.6	Low	59.9	Low	122 Å²	122	72.9 Å²	72.9	64%	0.639	40%	0.397	S	S	*	.	H	α-helix	trans	-63	-49.6	177.2	-70.9	167.5	0	0	0	112.2	T588 L594 N595	T588-L592 HydrophobicContact CG2-CD1 4.23Å; T588-L592 WeakPolarHBondContact O-CB 3.34Å; T588-L592 VanDerWaalsContact O-CG 3.26Å; T588-L592 WeakPolarHBondContact O-CG 3.45Å; T588-L592 PolarHBondContact O-N 3.38Å; L592-L594 PolarHBondContact O-N 3.41Å; L592-N595 PolarHBondContact O-N 3.08Å; L592-N595 VanDerWaalsContact O-N 3.09Å
593	N	58.1	Low	57.3	Low	136 Å²	136	78 Å²	78	73%	0.727	43%	0.433	S	S	*	.	H	α-helix	trans	-67.8	-16	179.8	-69.4	-25.7	0	0	0	113.6	E589	E589-N593 WeakPolarHBondContact O-CB 3.02Å; E589-N593 PolarHBondContact O-N 2.99Å; E589-N593 PolarHBondContact O-ND2 3.19Å; E589-N593 VanDerWaalsContact O-ND2 3.11Å
594	L	58.9	Low	54.7	Low	20 Å²	20	88.5 Å²	88.5	11%	0.105	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	5.9	175.7	-64.4	170.3	0	0	0	112.6	F551 L554 I575 Q590 C591 L592 L596	F551-L594 HydrophobicContact CD2-CD1 4.03Å; F551-L594 HydrophobicContact CD2-CD2 4.34Å; F551-L594 HydrophobicContact CE2-CD1 3.86Å; F551-L594 HydrophobicContact CE2-CD2 3.87Å; F551-L594 HydrophobicContact CE2-CG 4.47Å; L554-L594 HydrophobicContact CD1-CB 3.86Å; L554-L594 HydrophobicContact CD1-CD2 3.85Å; L554-L594 HydrophobicContact CD1-CG 4.42Å; L554-L594 VanDerWaalsContact CD1-O 3.3Å; L554-L594 WeakPolarHBondContact CD1-O 3.3Å; L554-L594 VanDerWaalsContact CD2-O 3.22Å; L554-L594 WeakPolarHBondContact CD2-O 3.46Å; I575-L594 HydrophobicContact CD1-CD1 4.13Å; I575-L594 HydrophobicContact CG2-CD1 4.47Å; Q590-L594 WeakPolarHBondContact O-CB 3.26Å; Q590-L594 WeakPolarHBondContact O-CD1 3.48Å; Q590-L594 WeakPolarHBondContact O-CG 3.35Å; Q590-L594 PolarHBondContact O-N 2.97Å; C591-L594 CarbonylContact O-C 3.58Å; C591-L594 PolarHBondContact O-N 3.1Å; L592-L594 PolarHBondContact O-N 3.41Å; L594-L596 HydrophobicContact CB-CD1 3.87Å; L594-L596 HydrophobicContact CB-CG 3.75Å; L594-L596 HydrophobicContact CD1-CD1 3.98Å; L594-L596 PolarHBondContact O-N 3.03Å
595	N	52.8	Low	52.2	Low	135 Å²	135	88.8 Å²	88.8	72%	0.722	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	27.4	-173.8	-68	-33.8	0	0	0	114.3	C591 L592 N597	C591-N595 PolarHBondContact O-N 2.92Å; C591-N595 VanDerWaalsContact O-N 3.12Å; L592-N595 PolarHBondContact O-N 3.08Å; L592-N595 VanDerWaalsContact O-N 3.09Å; N595-N597 PolarHBondContact O-N 3.11Å; N595-N597 VanDerWaalsContact O-N 3.15Å
596	L	56.9	Low	49.7	Very low	12 Å²	12	95.9 Å²	95.9	6%	0.063	54%	0.539	C	S	.	.			trans	-78.4	102.5	178.9	-63.3	174.3	0	0	0	108.6	T547 D550 F551 L586 C591 L594 Y598	T547-L596 HydrophobicContact CG2-CB 4.44Å; T547-L596 HydrophobicContact CG2-CD1 3.9Å; T547-L596 HydrophobicContact CG2-CD2 4.06Å; T547-L596 HydrophobicContact CG2-CG 4.35Å; D550-L596 HydrophobicContact CB-CD2 4Å; F551-L596 HydrophobicContact CB-CD2 4.22Å; L586-L596 HydrophobicContact CD1-CD1 3.96Å; C591-L596 HydrophobicContact CB-CB 4.42Å; C591-L596 PolarHBondContact O-N 3.07Å; L594-L596 HydrophobicContact CB-CD1 3.87Å; L594-L596 HydrophobicContact CB-CG 3.75Å; L594-L596 HydrophobicContact CD1-CD1 3.98Å; L594-L596 PolarHBondContact O-N 3.03Å; L596-Y598 VanDerWaalsContact C-N 3.29Å; L596-Y598 PolarHBondContact O-N 3.37Å
597	N	48.5	Very low	47.5	Very low	162 Å²	162	103 Å²	103	87%	0.866	58%	0.577	S	S	*	*			trans	-64.8	84	179.7	-79.4	-34.1	0	0	0	111.6	N595 D599	N595-N597 PolarHBondContact O-N 3.11Å; N595-N597 VanDerWaalsContact O-N 3.15Å; N597-D599 PolarHBondContact O-N 3.27Å; N597-D599 VanDerWaalsContact O-N 3.16Å
598	Y	48.4	Very low	45.8	Very low	54 Å²	54	109.8 Å²	109.8	21%	0.212	60%	0.602	C	S	.	*			trans	-83.1	86.2	171	-150.1	-82.2	0	0	0	109.4	I543 P583 R584 L596 D600 E629	I543-Y598 HydrophobicContact CD1-CE2 4.05Å; P583-Y598 HydrophobicContact CB-CE2 4.02Å; P583-Y598 HydrophobicContact CG-CE2 4.18Å; R584-Y598 HydrophobicContact CG-CE1 4.44Å; R584-Y598 VanDerWaalsContact CZ-CE1 3.45Å; R584-Y598 PolarHBondContact NE-OH 3.06Å; L596-Y598 VanDerWaalsContact C-N 3.29Å; L596-Y598 PolarHBondContact O-N 3.37Å; Y598-D600 VanDerWaalsContact C-N 3.3Å; Y598-D600 PolarHBondContact O-N 2.84Å; Y598-E629 PolarHBondContact OH-OE1 2.93Å; Y598-E629 VanDerWaalsContact OH-OE1 3.05Å; Y598-E629 PolarHBondContact OH-OE2 2.98Å
599	D	46.2	Very low	44.3	Very low	152 Å²	152	111.7 Å²	111.7	81%	0.813	60%	0.603	S	S	*	*			trans	-70.5	83.7	-178.2	-162.7	21.5	0	0	0	110.3	N597 G601	N597-D599 PolarHBondContact O-N 3.27Å; N597-D599 VanDerWaalsContact O-N 3.16Å; D599-G601 PolarHBondContact O-N 3.36Å
600	D	45.9	Very low	43.4	Very low	86 Å²	86	112.1 Å²	112.1	46%	0.46	61%	0.608	S	S	.	*			trans	-73.1	81.1	178.7	-152.5	60.3	0	0	0	108.2	R584 Y598 N602	R584-D600 IonicContact CZ-OD1 2.8Å; R584-D600 IonicContact NH1-OD1 3.27Å; R584-D600 PolarHBondContact NH1-OD1 3.04Å; R584-D600 IonicContact NH2-OD1 3.66Å; R584-D600 PolarHBondContact NH2-OD1 3.2Å; R584-D600 VanDerWaalsContact NH2-OD1 3.07Å; Y598-D600 VanDerWaalsContact C-N 3.3Å; Y598-D600 PolarHBondContact O-N 2.84Å; D600-N602 PolarHBondContact O-N 3.05Å
601	G	39.3	Very low	42	Very low	60 Å²	60	116 Å²	116	62%	0.619	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	36.8	-155.7	0	0	0	0	0	118	D599	D599-G601 PolarHBondContact O-N 3.36Å
602	N	32.7	Very low	40.6	Very low	162 Å²	162	122.3 Å²	122.3	87%	0.866	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.2	41.1	172.2	-106.7	-27.2	0	0	0	114.1	D600	D600-N602 PolarHBondContact O-N 3.05Å
603	S	35.6	Very low	39.7	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	66%	0.663	S	S	*	*			trans	-136.7	56.8	170.8	-76.3	0	0	0	0	113.8	G605	S603-G605 VanDerWaalsContact C-N 3.31Å; S603-G605 PolarHBondContact O-N 3.13Å
604	K	29.9	Very low	38.5	Very low	223 Å²	223	122.8 Å²	122.8	97%	0.97	66%	0.664	S	S	*	*	S	Bend	trans	-77.7	81.8	166.8	-82.3	-169.5	176.2	179	0	111.4
605	G	28.4	Very low	37.2	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	69%	0.691	S	S	*	*	S	Bend	trans	83	87.2	161.4	0	0	0	0	0	115.4	S603	S603-G605 VanDerWaalsContact C-N 3.31Å; S603-G605 PolarHBondContact O-N 3.13Å
606	D	30.3	Very low	36.2	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	70%	0.697	S	S	*	*			trans	-146.8	145	142.3	-122.1	-31	0	0	0	110.2	F608	D606-F608 VanDerWaalsContact C-N 3.33Å; D606-F608 PolarHBondContact O-N 3.26Å
607	N	28.4	Very low	35.2	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	73%	0.734	S	S	*	*			trans	-82.4	72.2	-172.5	-72.3	-53.2	0	0	0	111.6	H609	N607-H609 PolarHBondContact O-N 3.43Å
608	F	31.3	Very low	35.2	Very low	179 Å²	179	135.8 Å²	135.8	79%	0.785	72%	0.724	S	S	*	*			trans	-70.5	124.3	-178.9	-119.3	-89.7	0	0	0	112.5	D606	D606-F608 VanDerWaalsContact C-N 3.33Å; D606-F608 PolarHBondContact O-N 3.26Å
609	H	30.3	Very low	35.3	Very low	154 Å²	154	141.3 Å²	141.3	71%	0.713	75%	0.752	S	S	*	*			trans	-65.6	132.3	-175.9	-97.8	-123	0	0	0	112.3	N607 N611	N607-H609 PolarHBondContact O-N 3.43Å; H609-N611 PolarHBondContact O-N 2.88Å
610	I	35	Very low	36.1	Very low	139 Å²	139	136.1 Å²	136.1	71%	0.713	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-65.1	-11.9	-179.2	-66.1	170.9	0	0	0	113	I613	I610-I613 WeakPolarHBondContact O-CD1 3.26Å
611	N	30	Very low	37.3	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-88.1	-4.5	-164.6	-65.6	1.1	0	0	0	116	H609	H609-N611 PolarHBondContact O-N 2.88Å
612	E	30.1	Very low	39.2	Very low	151 Å²	151	133.4 Å²	133.4	71%	0.706	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-97.3	8.2	-173.2	-150	167.4	-159.6	0	0	114.5	V614	E612-V614 PolarHBondContact O-N 2.61Å
613	I	36.1	Very low	41.6	Very low	145 Å²	145	126.3 Å²	126.3	74%	0.744	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-4.6	-170.2	-64.5	175.4	0	0	0	114.2	I610 S615	I610-I613 WeakPolarHBondContact O-CD1 3.26Å; I613-S615 PolarHBondContact O-N 3.43Å
614	V	32.6	Very low	43.9	Very low	122 Å²	122	126.9 Å²	126.9	74%	0.739	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-16.3	-169.2	-171.8	0	0	0	0	113.9	E612 H616	E612-V614 PolarHBondContact O-N 2.61Å; V614-H616 PolarHBondContact O-N 2.61Å; V614-H616 VanDerWaalsContact O-N 3.12Å
615	S	32.1	Very low	46.5	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	62%	0.621	S	S	*	*	S	Bend	trans	-91	65.9	-165.1	-67.6	0	0	0	0	116.6	I613 K617	I613-S615 PolarHBondContact O-N 3.43Å; S615-K617 VanDerWaalsContact C-N 3.29Å; S615-K617 PolarHBondContact O-N 2.99Å
616	H	31.6	Very low	49.3	Very low	184 Å²	184	116.2 Å²	116.2	85%	0.852	59%	0.587	S	S	*	*	S	Bend	trans	48.7	5.5	149.5	-76.6	-65.7	0	0	0	122.8	V614	V614-H616 PolarHBondContact O-N 2.61Å; V614-H616 VanDerWaalsContact O-N 3.12Å
617	K	36.4	Very low	52.1	Low	191 Å²	191	110.2 Å²	110.2	83%	0.83	56%	0.555	S	S	*	*			trans	-131.4	108.9	170.7	-73.9	-177.5	179.6	175.5	0	111.3	S615 H619	S615-K617 VanDerWaalsContact C-N 3.29Å; S615-K617 PolarHBondContact O-N 2.99Å; K617-H619 PolarHBondContact O-N 3.18Å; K617-H619 VanDerWaalsContact O-N 3.08Å
618	I	47.8	Very low	54.9	Low	130 Å²	130	109.2 Å²	109.2	67%	0.667	54%	0.543	S	S	*	.			trans	-69	105.5	167.8	-60.3	175.7	0	0	0	107.4	F620	I618-F620 VanDerWaalsContact C-N 3.28Å; I618-F620 HydrophobicContact CB-CE2 4.26Å; I618-F620 HydrophobicContact CG2-CD1 4.42Å; I618-F620 HydrophobicContact CG2-CD2 4.29Å; I618-F620 HydrophobicContact CG2-CE1 4.21Å; I618-F620 HydrophobicContact CG2-CE2 4.08Å; I618-F620 HydrophobicContact CG2-CG 4.46Å; I618-F620 HydrophobicContact CG2-CZ 4.04Å; I618-F620 WeakPolarHBondContact O-CD2 3.33Å; I618-F620 PolarHBondContact O-N 3.04Å
619	H	52.2	Low	57.6	Low	170 Å²	170	101.2 Å²	101.2	79%	0.787	51%	0.508	S	S	*	.			trans	-77.5	79.1	179.1	-171.3	-73.7	0	0	0	110.6	K617	K617-H619 PolarHBondContact O-N 3.18Å; K617-H619 VanDerWaalsContact O-N 3.08Å
620	F	62.6	Low	60.5	Low	42 Å²	42	93.9 Å²	93.9	18%	0.184	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-52.9	145.3	170.2	-66.4	-78.5	0	0	0	110.9	I618 D669 M670 K673	I618-F620 VanDerWaalsContact C-N 3.28Å; I618-F620 HydrophobicContact CB-CE2 4.26Å; I618-F620 HydrophobicContact CG2-CD1 4.42Å; I618-F620 HydrophobicContact CG2-CD2 4.29Å; I618-F620 HydrophobicContact CG2-CE1 4.21Å; I618-F620 HydrophobicContact CG2-CE2 4.08Å; I618-F620 HydrophobicContact CG2-CG 4.46Å; I618-F620 HydrophobicContact CG2-CZ 4.04Å; I618-F620 WeakPolarHBondContact O-CD2 3.33Å; I618-F620 PolarHBondContact O-N 3.04Å; F620-D669 HydrophobicContact CE2-CB 3.98Å; F620-D669 HydrophobicContact CZ-CB 3.66Å; F620-M670 HydrophobicContact CD1-CE 4.26Å; F620-M670 HydrophobicContact CD1-CG 3.89Å; F620-M670 HydrophobicContact CE1-CE 3.88Å; F620-M670 HydrophobicContact CE1-CG 3.73Å; F620-K673 HydrophobicContact CB-CD 4Å; F620-K673 PolarHBondContact O-NZ 3.39Å
621	P	70.8	Confident	63.1	Low	18 Å²	18	87.5 Å²	87.5	12%	0.117	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-58.8	165.8	174.8	28.6	-37.9	0	0	0	111.9	Q625 L626 K673	P621-Q625 HydrophobicContact CB-CB 4.22Å; P621-Q625 HydrophobicContact CB-CG 4.05Å; P621-Q625 HydrophobicContact CG-CG 4.49Å; P621-L626 HydrophobicContact CG-CD2 3.68Å; P621-L626 HydrophobicContact CG-CG 4.1Å; P621-K673 PolarHBondContact O-NZ 3.45Å
622	P	79.6	Confident	66.1	Low	71 Å²	71	81.1 Å²	81.1	46%	0.461	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-53.9	151.8	177.5	20.7	-32.2	0	0	0	112.8	E624 Q625 L626	P622-E624 VanDerWaalsContact C-N 3.31Å; P622-E624 PolarHBondContact O-N 3.23Å; P622-Q625 HydrophobicContact CG-CB 3.95Å; P622-Q625 WeakPolarHBondContact O-CB 3.45Å; P622-Q625 PolarHBondContact O-N 2.87Å; P622-L626 PolarHBondContact O-N 3.41Å
623	S	81.8	Confident	69.1	Low	14 Å²	14	73.9 Å²	73.9	10%	0.098	38%	0.375	C	S	.	.	H	α-helix	trans	-49.5	-48.8	177.9	43.1	0	0	0	0	112.4	Q625 L626 I627 D677	S623-Q625 PolarHBondContact O-N 2.86Å; S623-Q625 VanDerWaalsContact O-N 3.17Å; S623-L626 PolarHBondContact O-N 2.98Å; S623-I627 WeakPolarHBondContact O-CD1 3.16Å; S623-I627 VanDerWaalsContact O-CG1 3.29Å; S623-I627 WeakPolarHBondContact O-CG1 3.45Å; S623-I627 PolarHBondContact O-N 3.39Å; S623-D677 VanDerWaalsContact CB-OD2 3.32Å; S623-D677 WeakPolarHBondContact CB-OD2 3.35Å; S623-D677 PolarHBondContact OG-OD2 3.24Å
624	E	84.5	Confident	71.7	Confident	120 Å²	120	69.9 Å²	69.9	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-52.2	-36	174.9	-73.9	-166.1	-146.6	0	0	113.9	P622 K628	P622-E624 VanDerWaalsContact C-N 3.31Å; P622-E624 PolarHBondContact O-N 3.23Å; E624-K628 WeakPolarHBondContact O-CB 3.35Å; E624-K628 VanDerWaalsContact O-CD 3.3Å; E624-K628 WeakPolarHBondContact O-CD 3.48Å; E624-K628 WeakPolarHBondContact O-CG 3.36Å; E624-K628 PolarHBondContact O-N 3.06Å; E624-K628 IonicContact OE2-NZ 3.19Å; E624-K628 PolarHBondContact OE2-NZ 3.17Å
625	Q	85.1	Confident	74.5	Confident	66 Å²	66	64 Å²	64	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-76.3	-44.2	-177.4	177.5	160.1	21.1	0	0	110.6	P621 P622 S623 I627 K628 E629	P621-Q625 HydrophobicContact CB-CB 4.22Å; P621-Q625 HydrophobicContact CB-CG 4.05Å; P621-Q625 HydrophobicContact CG-CG 4.49Å; P622-Q625 HydrophobicContact CG-CB 3.95Å; P622-Q625 WeakPolarHBondContact O-CB 3.45Å; P622-Q625 PolarHBondContact O-N 2.87Å; S623-Q625 PolarHBondContact O-N 2.86Å; S623-Q625 VanDerWaalsContact O-N 3.17Å; Q625-I627 PolarHBondContact O-N 3.48Å; Q625-K628 PolarHBondContact O-N 2.98Å; Q625-K628 VanDerWaalsContact O-N 3.15Å; Q625-E629 VanDerWaalsContact CD-OE1 3.29Å; Q625-E629 VanDerWaalsContact CG-CD 3.47Å; Q625-E629 HydrophobicContact CG-CG 4.18Å; Q625-E629 WeakPolarHBondContact CG-OE1 3.44Å; Q625-E629 PolarHBondContact NE2-OE1 3.36Å; Q625-E629 VanDerWaalsContact O-CB 3.26Å; Q625-E629 WeakPolarHBondContact O-CB 3.16Å; Q625-E629 VanDerWaalsContact O-CG 3.22Å; Q625-E629 WeakPolarHBondContact O-CG 3.35Å; Q625-E629 PolarHBondContact O-N 3.17Å
626	L	87.7	Confident	77.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-37.1	171.8	-62.3	173.7	0	0	0	112.2	H582 P621 P622 S623 E629 S630 F633 M670 K673 V674	H582-L626 WeakPolarHBondContact NE2-CD2 3.27Å; P621-L626 HydrophobicContact CG-CD2 3.68Å; P621-L626 HydrophobicContact CG-CG 4.1Å; P622-L626 PolarHBondContact O-N 3.41Å; S623-L626 PolarHBondContact O-N 2.98Å; L626-E629 PolarHBondContact O-N 2.98Å; L626-S630 PolarHBondContact O-N 3Å; L626-F633 HydrophobicContact CB-CD2 4.19Å; L626-M670 HydrophobicContact CD1-CB 4.3Å; L626-M670 HydrophobicContact CD1-CG 4.48Å; L626-M670 HydrophobicContact CD2-CG 4.34Å; L626-M670 HydrophobicContact CD2-SD 4.29Å; L626-K673 HydrophobicContact CD1-CD 4.31Å; L626-V674 HydrophobicContact CB-CG2 3.97Å; L626-V674 HydrophobicContact CD1-CG2 4.11Å
627	I	87.7	Confident	80.2	Confident	24 Å²	24	52.8 Å²	52.8	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-39.6	176.7	-69.7	163.6	0	0	0	111.7	S623 Q625 L634 H637 V674	S623-I627 WeakPolarHBondContact O-CD1 3.16Å; S623-I627 VanDerWaalsContact O-CG1 3.29Å; S623-I627 WeakPolarHBondContact O-CG1 3.45Å; S623-I627 PolarHBondContact O-N 3.39Å; Q625-I627 PolarHBondContact O-N 3.48Å; I627-L634 HydrophobicContact CG2-CB 4.44Å; I627-L634 HydrophobicContact CG2-CD1 3.78Å; I627-H637 HydrophobicContact CD1-CB 4.07Å; I627-H637 HydrophobicContact CG1-CB 4.19Å; I627-V674 HydrophobicContact CD1-CG1 4.2Å; I627-V674 HydrophobicContact CG1-CG1 4Å; I627-V674 HydrophobicContact CG1-CG2 4.32Å
628	K	87.7	Confident	82.7	Confident	139 Å²	139	45.4 Å²	45.4	60%	0.604	23%	0.228	S	C	*	.	H	α-helix	trans	-73.8	-31	175.6	-70.4	160.6	-168	161.9	0	112.1	E624 Q625	E624-K628 WeakPolarHBondContact O-CB 3.35Å; E624-K628 VanDerWaalsContact O-CD 3.3Å; E624-K628 WeakPolarHBondContact O-CD 3.48Å; E624-K628 WeakPolarHBondContact O-CG 3.36Å; E624-K628 PolarHBondContact O-N 3.06Å; E624-K628 IonicContact OE2-NZ 3.19Å; E624-K628 PolarHBondContact OE2-NZ 3.17Å; Q625-K628 PolarHBondContact O-N 2.98Å; Q625-K628 VanDerWaalsContact O-N 3.15Å
629	E	87.6	Confident	84.7	Confident	11 Å²	11	39.2 Å²	39.2	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-79.2	-23.3	-177	-75.3	171.3	-175.7	0	0	113.6	S541 I543 Q544 H582 P583 R584 Y598 Q625 L626	S541-E629 PolarHBondContact OG-O 3.06Å; I543-E629 HydrophobicContact CG2-CB 4.35Å; I543-E629 HydrophobicContact CG2-CG 4.31Å; Q544-E629 WeakPolarHBondContact CG-O 3.28Å; H582-E629 IonicContact CE1-OE2 3.83Å; H582-E629 PolarHBondContact CE1-OE2 3.37Å; H582-E629 VanDerWaalsContact CE1-OE2 3.27Å; H582-E629 IonicContact NE2-OE2 3.24Å; P583-E629 HydrophobicContact CG-CB 4.43Å; R584-E629 WeakPolarHBondContact CD-OE2 3.4Å; R584-E629 IonicContact CZ-OE1 2.71Å; R584-E629 IonicContact CZ-OE2 3.28Å; R584-E629 IonicContact NE-OE1 2.65Å; R584-E629 PolarHBondContact NE-OE1 3.32Å; R584-E629 IonicContact NE-OE2 2.95Å; R584-E629 PolarHBondContact NE-OE2 3.28Å; R584-E629 IonicContact NH2-OE1 2.69Å; R584-E629 PolarHBondContact NH2-OE1 2.82Å; R584-E629 IonicContact NH2-OE2 2.72Å; Y598-E629 PolarHBondContact OH-OE1 2.93Å; Y598-E629 VanDerWaalsContact OH-OE1 3.05Å; Y598-E629 PolarHBondContact OH-OE2 2.98Å; Q625-E629 VanDerWaalsContact CD-OE1 3.29Å; Q625-E629 VanDerWaalsContact CG-CD 3.47Å; Q625-E629 HydrophobicContact CG-CG 4.18Å; Q625-E629 WeakPolarHBondContact CG-OE1 3.44Å; Q625-E629 PolarHBondContact NE2-OE1 3.36Å; Q625-E629 VanDerWaalsContact O-CB 3.26Å; Q625-E629 WeakPolarHBondContact O-CB 3.16Å; Q625-E629 VanDerWaalsContact O-CG 3.22Å; Q625-E629 WeakPolarHBondContact O-CG 3.35Å; Q625-E629 PolarHBondContact O-N 3.17Å; L626-E629 PolarHBondContact O-N 2.98Å
630	S	91	Very high	86.5	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	16%	0.159	C	C	.	.			trans	-134	127.6	176.6	174.7	0	0	0	0	114.8	D581 H582 L626 K632 F633 L634	D581-S630 WeakPolarHBondContact O-CB 3.43Å; D581-S630 PolarHBondContact O-OG 3.39Å; H582-S630 VanDerWaalsContact CD2-CB 3.46Å; H582-S630 WeakPolarHBondContact CD2-CB 3.14Å; L626-S630 PolarHBondContact O-N 3Å; S630-K632 PolarHBondContact O-N 3.43Å; S630-K632 PolarHBondContact OG-N 3.42Å; S630-F633 PolarHBondContact O-N 3.1Å; S630-F633 VanDerWaalsContact O-N 3.11Å; S630-L634 PolarHBondContact O-N 2.9Å
631	G	89.7	Confident	87.7	Confident	5 Å²	5	33.5 Å²	33.5	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-31	173	0	0	0	0	0	113.4	L634 F635	G631-L634 PolarHBondContact O-N 3.16Å; G631-F635 PolarHBondContact O-N 3.01Å
632	K	92.6	Very high	88.4	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-39.1	174.5	-63.6	-169.4	-176.8	-173.7	0	112	C580 D581 S630 F635 L636 F667 L751 L781 T783 E788	C580-K632 WeakPolarHBondContact O-CE 3.48Å; D581-K632 IonicContact OD1-NZ 3.42Å; D581-K632 PolarHBondContact OD1-NZ 3.23Å; S630-K632 PolarHBondContact O-N 3.43Å; S630-K632 PolarHBondContact OG-N 3.42Å; K632-F635 PolarHBondContact O-N 3.15Å; K632-L636 WeakPolarHBondContact O-CB 3.33Å; K632-L636 PolarHBondContact O-N 3.38Å; K632-F667 HydrophobicContact CB-CZ 4.41Å; K632-F667 HydrophobicContact CD-CE1 4.5Å; K632-F667 HydrophobicContact CD-CZ 4.16Å; K632-L751 WeakPolarHBondContact CD-O 3.04Å; K632-L751 PolarHBondContact NZ-O 2.91Å; K632-L781 HydrophobicContact CB-CD1 4.13Å; K632-L781 HydrophobicContact CG-CD1 4.34Å; K632-T783 HydrophobicContact CG-CG2 4.36Å; K632-E788 WeakPolarHBondContact CE-OE2 3.48Å; K632-E788 VanDerWaalsContact NZ-CD 3.26Å; K632-E788 IonicContact NZ-OE1 2.71Å; K632-E788 PolarHBondContact NZ-OE1 3.39Å; K632-E788 IonicContact NZ-OE2 2.7Å; K632-E788 PolarHBondContact NZ-OE2 3.01Å; K632-E788 VanDerWaalsContact NZ-OE2 3.09Å
633	F	93.2	Very high	88.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-74	-32.4	174.9	-75.8	-28.8	0	0	0	113.1	H582 L626 S630 F635 L636 H637 F667 M670 A671 V674	H582-F633 HydrophobicContact CB-CE2 4.4Å; H582-F633 AromaticContact CD2-CD2 3.52Å; H582-F633 AromaticContact CD2-CE2 3.55Å; L626-F633 HydrophobicContact CB-CD2 4.19Å; S630-F633 PolarHBondContact O-N 3.1Å; S630-F633 VanDerWaalsContact O-N 3.11Å; F633-F635 VanDerWaalsContact C-N 3.35Å; F633-L636 HydrophobicContact CD1-CD2 3.96Å; F633-L636 HydrophobicContact CE1-CD2 4.23Å; F633-L636 PolarHBondContact O-N 3.11Å; F633-H637 VanDerWaalsContact O-CB 3.24Å; F633-H637 WeakPolarHBondContact O-CB 3.03Å; F633-H637 PolarHBondContact O-N 3.2Å; F633-F667 HydrophobicContact CD1-CE2 4.25Å; F633-F667 HydrophobicContact CD2-CE2 4.42Å; F633-F667 AromaticContact CE1-CD2 3.93Å; F633-F667 HydrophobicContact CE1-CD2 3.93Å; F633-F667 AromaticContact CE1-CE2 3.53Å; F633-F667 HydrophobicContact CE1-CE2 3.53Å; F633-F667 HydrophobicContact CE1-CZ 4.21Å; F633-F667 AromaticContact CE2-CD2 3.99Å; F633-F667 HydrophobicContact CE2-CD2 3.99Å; F633-F667 AromaticContact CE2-CE2 3.72Å; F633-F667 HydrophobicContact CE2-CE2 3.72Å; F633-F667 AromaticContact CZ-CD2 3.32Å; F633-F667 HydrophobicContact CZ-CD2 3.32Å; F633-F667 AromaticContact CZ-CE2 3.22Å; F633-F667 HydrophobicContact CZ-CE2 3.22Å; F633-F667 HydrophobicContact CZ-CG 4.45Å; F633-F667 HydrophobicContact CZ-CZ 4.29Å; F633-M670 HydrophobicContact CE2-CB 3.59Å; F633-M670 HydrophobicContact CE2-CG 4.47Å; F633-M670 HydrophobicContact CE2-SD 4.18Å; F633-M670 HydrophobicContact CZ-CB 3.48Å; F633-M670 VanDerWaalsContact CZ-CB 3.48Å; F633-A671 HydrophobicContact CE1-CB 3.87Å; F633-A671 HydrophobicContact CZ-CB 4.4Å; F633-V674 HydrophobicContact CD2-CG2 4.36Å; F633-V674 HydrophobicContact CG-CG2 4.33Å
634	L	91.1	Very high	88.8	Confident	60 Å²	60	31.1 Å²	31.1	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-59.7	-45.2	169.8	-176.3	57.9	0	0	0	111.6	I627 S630 G631 C638 V874	I627-L634 HydrophobicContact CG2-CB 4.44Å; I627-L634 HydrophobicContact CG2-CD1 3.78Å; S630-L634 PolarHBondContact O-N 2.9Å; G631-L634 PolarHBondContact O-N 3.16Å; L634-C638 PolarHBondContact O-N 3.06Å; L634-C638 PolarHBondContact O-SG 3.35Å; L634-C638 VanDerWaalsContact O-SG 3.34Å; L634-V874 HydrophobicContact CB-CG1 4.24Å; L634-V874 HydrophobicContact CD2-CG1 4.24Å; L634-V874 HydrophobicContact CD2-CG2 3.76Å; L634-V874 HydrophobicContact CG-CG1 4.06Å; L634-V874 HydrophobicContact CG-CG2 3.85Å
635	F	92	Very high	88.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-49.8	173	179	-95.9	0	0	0	112.2	L536 G631 K632 F633 H637 C638 L639 L781 L866 L871 V874 V875	L536-F635 HydrophobicContact CD1-CE1 3.7Å; L536-F635 HydrophobicContact CD1-CE2 4.19Å; L536-F635 HydrophobicContact CD1-CZ 3.45Å; L536-F635 VanDerWaalsContact CD1-CZ 3.45Å; L536-F635 HydrophobicContact CD2-CE2 3.72Å; L536-F635 HydrophobicContact CD2-CZ 3.81Å; L536-F635 HydrophobicContact CG-CZ 4.25Å; G631-F635 PolarHBondContact O-N 3.01Å; K632-F635 PolarHBondContact O-N 3.15Å; F633-F635 VanDerWaalsContact C-N 3.35Å; F635-H637 VanDerWaalsContact C-N 3.35Å; F635-H637 PolarHBondContact O-N 3.41Å; F635-C638 PolarHBondContact O-N 3.48Å; F635-L639 HydrophobicContact CE1-CB 4.15Å; F635-L639 HydrophobicContact CE1-CD2 3.68Å; F635-L639 HydrophobicContact CE1-CG 4.49Å; F635-L639 HydrophobicContact CZ-CB 4.23Å; F635-L639 HydrophobicContact CZ-CD2 3.92Å; F635-L639 HydrophobicContact CZ-CG 4.48Å; F635-L639 PolarHBondContact O-N 3.02Å; F635-L781 HydrophobicContact CD1-CD1 4.22Å; F635-L781 HydrophobicContact CD1-CD2 3.57Å; F635-L781 HydrophobicContact CE1-CD2 3.68Å; F635-L781 HydrophobicContact CG-CD2 4.4Å; F635-L866 HydrophobicContact CE2-CD2 3.97Å; F635-L866 HydrophobicContact CZ-CD2 3.86Å; F635-L871 HydrophobicContact CD2-CD2 4.1Å; F635-L871 HydrophobicContact CE2-CD1 4.16Å; F635-L871 HydrophobicContact CE2-CD2 4.44Å; F635-V874 HydrophobicContact CB-CG1 3.85Å; F635-V875 HydrophobicContact CD2-CG2 3.66Å; F635-V875 HydrophobicContact CE2-CG2 4Å
636	L	92.4	Very high	88.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-44.9	-177.8	-178.1	62.5	0	0	0	112.1	K632 F633 L639 M640 I660 A671 I675 I749 L751	K632-L636 WeakPolarHBondContact O-CB 3.33Å; K632-L636 PolarHBondContact O-N 3.38Å; F633-L636 HydrophobicContact CD1-CD2 3.96Å; F633-L636 HydrophobicContact CE1-CD2 4.23Å; F633-L636 PolarHBondContact O-N 3.11Å; L636-L639 PolarHBondContact O-N 3.34Å; L636-M640 HydrophobicContact CD1-CG 4.09Å; L636-M640 HydrophobicContact CG-CG 4.48Å; L636-M640 WeakPolarHBondContact O-CB 3.39Å; L636-M640 WeakPolarHBondContact O-CG 3.39Å; L636-M640 PolarHBondContact O-N 2.86Å; L636-I660 HydrophobicContact CD1-CD1 4.09Å; L636-A671 HydrophobicContact CD2-CB 4.15Å; L636-I675 HydrophobicContact CD2-CD1 4.21Å; L636-I675 HydrophobicContact CD2-CG1 4.4Å; L636-I675 HydrophobicContact CG-CD1 4.5Å; L636-I749 HydrophobicContact CD1-CD1 3.82Å; L636-L751 HydrophobicContact CD1-CD2 4.43Å; L636-L751 HydrophobicContact CD2-CD2 4.2Å
637	H	91.1	Very high	87.7	Confident	46 Å²	46	28.7 Å²	28.7	21%	0.213	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-48.8	175.9	166.1	-95.3	0	0	0	111.5	I627 F633 F635 K641 V674	I627-H637 HydrophobicContact CD1-CB 4.07Å; I627-H637 HydrophobicContact CG1-CB 4.19Å; F633-H637 VanDerWaalsContact O-CB 3.24Å; F633-H637 WeakPolarHBondContact O-CB 3.03Å; F633-H637 PolarHBondContact O-N 3.2Å; F635-H637 VanDerWaalsContact C-N 3.35Å; F635-H637 PolarHBondContact O-N 3.41Å; H637-K641 VanDerWaalsContact O-CB 3.24Å; H637-K641 WeakPolarHBondContact O-CB 3.27Å; H637-K641 PolarHBondContact O-N 3.05Å; H637-V674 HydrophobicContact CB-CG1 4.18Å
638	C	89	Confident	87	Confident	35 Å²	35	29.1 Å²	29.1	24%	0.236	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-40.7	179.4	-70.1	0	0	0	0	112.7	L634 F635 Q642 L871	L634-C638 PolarHBondContact O-N 3.06Å; L634-C638 PolarHBondContact O-SG 3.35Å; L634-C638 VanDerWaalsContact O-SG 3.34Å; F635-C638 PolarHBondContact O-N 3.48Å; C638-Q642 WeakPolarHBondContact O-CB 3.45Å; C638-Q642 PolarHBondContact O-N 3.35Å; C638-L871 HydrophobicContact CB-CD2 3.79Å
639	L	90	Very high	86.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-44	178.3	-177.4	64.1	0	0	0	112.4	F635 L636 Q642 F643 I749 Y779 F865 L866	F635-L639 HydrophobicContact CE1-CB 4.15Å; F635-L639 HydrophobicContact CE1-CD2 3.68Å; F635-L639 HydrophobicContact CE1-CG 4.49Å; F635-L639 HydrophobicContact CZ-CB 4.23Å; F635-L639 HydrophobicContact CZ-CD2 3.92Å; F635-L639 HydrophobicContact CZ-CG 4.48Å; F635-L639 PolarHBondContact O-N 3.02Å; L636-L639 PolarHBondContact O-N 3.34Å; L639-Q642 PolarHBondContact O-N 3.05Å; L639-F643 HydrophobicContact CD1-CD1 4.39Å; L639-F643 HydrophobicContact CD1-CE1 3.73Å; L639-F643 HydrophobicContact CD1-CE2 4.43Å; L639-F643 HydrophobicContact CD1-CZ 3.74Å; L639-F643 HydrophobicContact CD2-CE2 4.49Å; L639-F643 HydrophobicContact CD2-CZ 4.32Å; L639-F643 HydrophobicContact CG-CE1 4.33Å; L639-F643 HydrophobicContact CG-CE2 4.18Å; L639-F643 HydrophobicContact CG-CZ 3.97Å; L639-F643 PolarHBondContact O-N 3.15Å; L639-I749 HydrophobicContact CD2-CD1 3.82Å; L639-I749 HydrophobicContact CD2-CG1 4.44Å; L639-Y779 HydrophobicContact CD2-CD2 4.3Å; L639-Y779 HydrophobicContact CD2-CE2 4.31Å; L639-Y779 HydrophobicContact CD2-CG 4.44Å; L639-F865 HydrophobicContact CD1-CE1 4Å; L639-L866 HydrophobicContact CD1-CD2 4.39Å
640	M	89.8	Confident	85.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-44.2	177.6	-67.8	-59.3	96.5	0	0	111.3	L636 Q642 F643 L644 T658 I675 I678 H698 V728 I749	L636-M640 HydrophobicContact CD1-CG 4.09Å; L636-M640 HydrophobicContact CG-CG 4.48Å; L636-M640 WeakPolarHBondContact O-CB 3.39Å; L636-M640 WeakPolarHBondContact O-CG 3.39Å; L636-M640 PolarHBondContact O-N 2.86Å; M640-Q642 VanDerWaalsContact C-N 3.28Å; M640-Q642 PolarHBondContact O-N 3.11Å; M640-F643 HydrophobicContact CE-CD2 3.45Å; M640-F643 VanDerWaalsContact CE-CD2 3.45Å; M640-F643 HydrophobicContact CE-CE2 3.52Å; M640-F643 HydrophobicContact CE-CG 4.49Å; M640-F643 PolarHBondContact O-N 2.96Å; M640-F643 VanDerWaalsContact O-N 3.09Å; M640-F643 HydrophobicContact SD-CD2 4.34Å; M640-L644 PolarHBondContact O-N 2.97Å; M640-T658 HydrophobicContact CE-CG2 4.25Å; M640-I675 HydrophobicContact CG-CD1 4.34Å; M640-I675 HydrophobicContact CG-CG1 4.15Å; M640-I678 HydrophobicContact CB-CD1 3.6Å; M640-H698 PolarHBondContact O-CE1 3.41Å; M640-H698 PolarHBondContact O-NE2 3.33Å; M640-H698 VanDerWaalsContact O-NE2 3.09Å; M640-V728 HydrophobicContact SD-CG2 4.04Å; M640-I749 HydrophobicContact CE-CD1 3.67Å
641	K	87.6	Confident	84	Confident	92 Å²	92	33.7 Å²	33.7	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-41	173.7	-174.2	176.9	-179.4	177.7	0	112.1	H637 L644 L645 I678	H637-K641 VanDerWaalsContact O-CB 3.24Å; H637-K641 WeakPolarHBondContact O-CB 3.27Å; H637-K641 PolarHBondContact O-N 3.05Å; K641-L644 PolarHBondContact O-N 2.93Å; K641-L645 HydrophobicContact CG-CD1 4.38Å; K641-L645 WeakPolarHBondContact O-CG 3.38Å; K641-L645 PolarHBondContact O-N 2.94Å; K641-I678 HydrophobicContact CB-CG2 3.96Å; K641-I678 HydrophobicContact CG-CG2 4.3Å
642	Q	84.5	Confident	82.7	Confident	48 Å²	48	42.6 Å²	42.6	22%	0.224	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-45.6	174	175.5	63.1	16.6	0	0	112	C638 L639 M640 L644 L645 E646 F865	C638-Q642 WeakPolarHBondContact O-CB 3.45Å; C638-Q642 PolarHBondContact O-N 3.35Å; L639-Q642 PolarHBondContact O-N 3.05Å; M640-Q642 VanDerWaalsContact C-N 3.28Å; M640-Q642 PolarHBondContact O-N 3.11Å; Q642-L644 PolarHBondContact O-N 2.97Å; Q642-L645 PolarHBondContact O-N 2.81Å; Q642-L645 VanDerWaalsContact O-N 3.13Å; Q642-E646 HydrophobicContact CG-CG 4.48Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.5Å; Q642-E646 PolarHBondContact NE2-OE1 2.72Å; Q642-E646 WeakPolarHBondContact O-CG 3.39Å; Q642-E646 PolarHBondContact O-N 3.02Å; Q642-F865 HydrophobicContact CB-CE1 3.96Å; Q642-F865 HydrophobicContact CB-CE2 3.72Å; Q642-F865 HydrophobicContact CB-CZ 3.4Å; Q642-F865 HydrophobicContact CG-CD1 4.08Å; Q642-F865 HydrophobicContact CG-CD2 3.82Å; Q642-F865 HydrophobicContact CG-CE1 3.79Å; Q642-F865 HydrophobicContact CG-CE2 3.52Å; Q642-F865 HydrophobicContact CG-CG 4.1Å; Q642-F865 HydrophobicContact CG-CZ 3.51Å
643	F	86.6	Confident	81.4	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-33.5	175.9	-71	-9.6	0	0	0	112.9	L639 M640 L647 P656 R747 Y779 H862	L639-F643 HydrophobicContact CD1-CD1 4.39Å; L639-F643 HydrophobicContact CD1-CE1 3.73Å; L639-F643 HydrophobicContact CD1-CE2 4.43Å; L639-F643 HydrophobicContact CD1-CZ 3.74Å; L639-F643 HydrophobicContact CD2-CE2 4.49Å; L639-F643 HydrophobicContact CD2-CZ 4.32Å; L639-F643 HydrophobicContact CG-CE1 4.33Å; L639-F643 HydrophobicContact CG-CE2 4.18Å; L639-F643 HydrophobicContact CG-CZ 3.97Å; L639-F643 PolarHBondContact O-N 3.15Å; M640-F643 HydrophobicContact CE-CD2 3.45Å; M640-F643 VanDerWaalsContact CE-CD2 3.45Å; M640-F643 HydrophobicContact CE-CE2 3.52Å; M640-F643 HydrophobicContact CE-CG 4.49Å; M640-F643 PolarHBondContact O-N 2.96Å; M640-F643 VanDerWaalsContact O-N 3.09Å; M640-F643 HydrophobicContact SD-CD2 4.34Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 3.03Å; F643-P656 HydrophobicContact CB-CG 3.76Å; F643-P656 HydrophobicContact CD1-CB 4.45Å; F643-P656 HydrophobicContact CD1-CG 4.17Å; F643-P656 HydrophobicContact CD2-CB 4.13Å; F643-P656 HydrophobicContact CD2-CG 4.09Å; F643-P656 HydrophobicContact CE2-CB 4.36Å; F643-P656 HydrophobicContact CG-CB 4.19Å; F643-P656 HydrophobicContact CG-CG 3.76Å; F643-R747 HydrophobicContact CE2-CB 4.41Å; F643-R747 HydrophobicContact CE2-CG 4.1Å; F643-R747 HydrophobicContact CZ-CG 4.02Å; F643-Y779 HydrophobicContact CZ-CE2 4.19Å; F643-H862 AromaticContact CE1-CE1 3.81Å
644	L	82.9	Confident	80.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-72	-35.3	174.9	-167.9	59.1	0	0	0	112.6	M640 K641 Q642 L647 Q648 I678 C680 P695	M640-L644 PolarHBondContact O-N 2.97Å; K641-L644 PolarHBondContact O-N 2.93Å; Q642-L644 PolarHBondContact O-N 2.97Å; L644-L647 HydrophobicContact CD1-CD1 4.48Å; L644-L647 WeakPolarHBondContact O-CB 2.95Å; L644-Q648 WeakPolarHBondContact O-CG 3.23Å; L644-Q648 PolarHBondContact O-N 3.15Å; L644-I678 HydrophobicContact CD2-CG2 4.14Å; L644-C680 HydrophobicContact CD2-CB 3.91Å; L644-C680 HydrophobicContact CG-CB 4.11Å; L644-P695 HydrophobicContact CD1-CB 4.48Å; L644-P695 WeakPolarHBondContact CD1-O 3.44Å
645	L	80.6	Confident	79.3	Confident	71 Å²	71	51.7 Å²	51.7	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-71.1	-39.2	173	-68.9	169.4	0	0	0	112.3	K641 Q642 L647 Q648 S649	K641-L645 HydrophobicContact CG-CD1 4.38Å; K641-L645 WeakPolarHBondContact O-CG 3.38Å; K641-L645 PolarHBondContact O-N 2.94Å; Q642-L645 PolarHBondContact O-N 2.81Å; Q642-L645 VanDerWaalsContact O-N 3.13Å; L645-L647 VanDerWaalsContact C-N 3.3Å; L645-L647 PolarHBondContact O-N 3.24Å; L645-Q648 PolarHBondContact O-N 2.92Å; L645-S649 WeakPolarHBondContact O-CB 3.42Å; L645-S649 PolarHBondContact O-N 3.12Å
646	E	77.8	Confident	78.9	Confident	42 Å²	42	52.6 Å²	52.6	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-41.9	174.4	-76	-178.4	-152.5	0	0	111.3	Q642 S649 N650 R653	Q642-E646 HydrophobicContact CG-CG 4.48Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.5Å; Q642-E646 PolarHBondContact NE2-OE1 2.72Å; Q642-E646 WeakPolarHBondContact O-CG 3.39Å; Q642-E646 PolarHBondContact O-N 3.02Å; E646-S649 WeakPolarHBondContact CA-OG 3.06Å; E646-S649 PolarHBondContact O-N 3.39Å; E646-S649 PolarHBondContact O-OG 3.01Å; E646-N650 PolarHBondContact O-N 3.12Å; E646-N650 VanDerWaalsContact O-N 3.15Å; E646-R653 IonicContact OE2-NH1 2.72Å
647	L	75.9	Confident	78.8	Confident	22 Å²	22	53.4 Å²	53.4	12%	0.115	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-43.5	173	-85.2	168.9	0	0	0	113.5	F643 L644 L645 S649 P695 T727	F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 3.03Å; L644-L647 HydrophobicContact CD1-CD1 4.48Å; L644-L647 WeakPolarHBondContact O-CB 2.95Å; L645-L647 VanDerWaalsContact C-N 3.3Å; L645-L647 PolarHBondContact O-N 3.24Å; L647-S649 VanDerWaalsContact C-N 3.32Å; L647-P695 HydrophobicContact CB-CG 4.25Å; L647-P695 HydrophobicContact CD1-CG 4.2Å; L647-T727 HydrophobicContact CD1-CG2 4.38Å
648	Q	72.8	Confident	78.9	Confident	33 Å²	33	51.3 Å²	51.3	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-32.1	176.2	-70.4	-178.5	-23.6	0	0	112.1	L644 L645 P681	L644-Q648 WeakPolarHBondContact O-CG 3.23Å; L644-Q648 PolarHBondContact O-N 3.15Å; L645-Q648 PolarHBondContact O-N 2.92Å; Q648-P681 PolarHBondContact NE2-O 2.83Å
649	S	70.5	Confident	79.1	Confident	95 Å²	95	49.6 Å²	49.6	66%	0.664	25%	0.252	S	S	*	.	H	α-helix	trans	-77.1	-28.1	-177.2	76.2	0	0	0	0	114.9	L645 E646 L647	L645-S649 WeakPolarHBondContact O-CB 3.42Å; L645-S649 PolarHBondContact O-N 3.12Å; E646-S649 WeakPolarHBondContact CA-OG 3.06Å; E646-S649 PolarHBondContact O-N 3.39Å; E646-S649 PolarHBondContact O-OG 3.01Å; L647-S649 VanDerWaalsContact C-N 3.32Å
650	N	69.9	Low	79.3	Confident	72 Å²	72	49.6 Å²	49.6	39%	0.385	25%	0.252	S	S	.	.			trans	-144.1	86.2	-178.9	-170.6	-20.7	0	0	0	111.5	E646 Q652 R653	E646-N650 PolarHBondContact O-N 3.12Å; E646-N650 VanDerWaalsContact O-N 3.15Å; N650-Q652 PolarHBondContact O-N 3.12Å; N650-Q652 VanDerWaalsContact O-N 3.15Å; N650-Q652 PolarHBondContact OD1-N 3.14Å; N650-R653 HydrophobicContact CB-CB 4.22Å; N650-R653 WeakPolarHBondContact O-CB 3.45Å; N650-R653 PolarHBondContact O-N 3.22Å; N650-R653 PolarHBondContact OD1-N 3.48Å
651	P	64.4	Low	79.5	Confident	80 Å²	80	49.6 Å²	49.6	52%	0.519	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	-177.3	-21.9	34.2	0	0	0	114.7	R653 Y694	P651-R653 VanDerWaalsContact C-N 3.35Å; P651-Y694 HydrophobicContact CB-CE1 4.22Å; P651-Y694 HydrophobicContact CG-CD1 4.21Å; P651-Y694 HydrophobicContact CG-CE1 3.57Å
652	Q	61.6	Low	79.7	Confident	192 Å²	192	45.2 Å²	45.2	90%	0.897	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.7	176	-63.7	-175.2	-3.8	0	0	112.6	N650	N650-Q652 PolarHBondContact O-N 3.12Å; N650-Q652 VanDerWaalsContact O-N 3.15Å; N650-Q652 PolarHBondContact OD1-N 3.14Å
653	R	66.2	Low	79.9	Confident	147 Å²	147	46.5 Å²	46.5	56%	0.555	24%	0.239	S	C	*	.	S	Bend	trans	-86.1	124.8	179.6	-163.5	-179.5	-164.5	-167.7	6.7	110.2	E646 N650 P651 S655	E646-R653 IonicContact OE2-NH1 2.72Å; N650-R653 HydrophobicContact CB-CB 4.22Å; N650-R653 WeakPolarHBondContact O-CB 3.45Å; N650-R653 PolarHBondContact O-N 3.22Å; N650-R653 PolarHBondContact OD1-N 3.48Å; P651-R653 VanDerWaalsContact C-N 3.35Å; R653-S655 PolarHBondContact O-N 2.65Å
654	D	67.9	Low	79.9	Confident	87 Å²	87	46.9 Å²	46.9	47%	0.465	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-58.4	135.6	177	-114.3	-30.3	0	0	0	111.6	K724	D654-K724 WeakPolarHBondContact OD1-CE 3.39Å; D654-K724 IonicContact OD1-NZ 3.7Å; D654-K724 PolarHBondContact OD1-NZ 3.29Å; D654-K724 IonicContact OD2-NZ 2.9Å; D654-K724 PolarHBondContact OD2-NZ 3.48Å
655	S	71.7	Confident	80.2	Confident	18 Å²	18	47.2 Å²	47.2	13%	0.126	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-55.1	138.2	-173.2	-175.4	0	0	0	0	112.5	R653 R657 T727	R653-S655 PolarHBondContact O-N 2.65Å; S655-R657 PolarHBondContact O-N 3.28Å; S655-T727 WeakPolarHBondContact OG-CG2 3.24Å
656	P	83.2	Confident	80.5	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.123	24%	0.243	C	C	.	.			trans	-60.7	112	161.9	26.9	-32.4	0	0	0	108.5	F643 N746 R747	F643-P656 HydrophobicContact CB-CG 3.76Å; F643-P656 HydrophobicContact CD1-CB 4.45Å; F643-P656 HydrophobicContact CD1-CG 4.17Å; F643-P656 HydrophobicContact CD2-CB 4.13Å; F643-P656 HydrophobicContact CD2-CG 4.09Å; F643-P656 HydrophobicContact CE2-CB 4.36Å; F643-P656 HydrophobicContact CG-CB 4.19Å; F643-P656 HydrophobicContact CG-CG 3.76Å; P656-N746 WeakPolarHBondContact CA-OD1 3.23Å; P656-R747 HydrophobicContact CB-CG 4Å
657	R	90.5	Very high	81.1	Confident	18 Å²	18	45.7 Å²	45.7	7%	0.068	23%	0.233	C	C	.	.			trans	-98.1	112.6	177.5	-80.6	177.4	177.2	-92.5	46.8	107.8	S655 F720 Q721 D723 Y726 T727 S744 A745 N746 R747	S655-R657 PolarHBondContact O-N 3.28Å; R657-F720 HydrophobicContact CB-CE1 4.46Å; R657-F720 HydrophobicContact CB-CZ 3.94Å; R657-F720 HydrophobicContact CG-CZ 4.38Å; R657-F720 VanDerWaalsContact CZ-O 3.25Å; R657-F720 PolarHBondContact NH1-O 2.92Å; R657-F720 VanDerWaalsContact NH1-O 3.12Å; R657-F720 PolarHBondContact NH2-O 2.72Å; R657-F720 VanDerWaalsContact NH2-O 3.08Å; R657-Q721 PolarHBondContact NH2-O 2.91Å; R657-D723 VanDerWaalsContact CZ-O 3.28Å; R657-D723 PolarHBondContact NH1-O 3.38Å; R657-D723 VanDerWaalsContact NH2-C 3.34Å; R657-D723 PolarHBondContact NH2-O 3.45Å; R657-Y726 PolarHBondContact NH1-O 3.3Å; R657-T727 WeakPolarHBondContact CA-O 3.28Å; R657-S744 WeakPolarHBondContact CB-O 3.31Å; R657-S744 WeakPolarHBondContact CD-O 3.24Å; R657-A745 WeakPolarHBondContact O-CA 3.48Å; R657-N746 PolarHBondContact N-OD1 3.47Å; R657-N746 PolarHBondContact O-N 3.1Å; R657-N746 PolarHBondContact O-OD1 2.93Å; R657-R747 PolarHBondContact O-N 2.68Å; R657-R747 VanDerWaalsContact O-N 3.12Å
658	T	92.8	Very high	81.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.1	-166.3	-52.5	0	0	0	0	111.8	M640 I660 T727 V728 M729 R747 I749	M640-T658 HydrophobicContact CE-CG2 4.25Å; T658-I660 HydrophobicContact CG2-CG1 3.99Å; T658-T727 PolarHBondContact N-O 3.46Å; T658-V728 CarbonylContact O-C 3.54Å; T658-V728 WeakPolarHBondContact O-CA 3.38Å; T658-M729 PolarHBondContact O-N 3.26Å; T658-R747 CarbonylContact C-O 3.51Å; T658-R747 WeakPolarHBondContact CA-O 3.42Å; T658-R747 HydrophobicContact CG2-CB 4.03Å; T658-I749 HydrophobicContact CG2-CD1 3.74Å; T658-I749 HydrophobicContact CG2-CG1 3.91Å
659	L	94.4	Very high	82.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.9	163.1	-51.2	-173.4	0	0	0	109	F661 F720 M729 L731 I742 A745 R747 V748 I749 A767	L659-F661 HydrophobicContact CB-CD2 4.41Å; L659-F661 HydrophobicContact CB-CE2 3.8Å; L659-F661 HydrophobicContact CB-CZ 4.3Å; L659-F661 HydrophobicContact CD1-CE2 4.07Å; L659-F661 HydrophobicContact CD1-CZ 4.04Å; L659-F720 HydrophobicContact CD2-CE1 3.85Å; L659-F720 HydrophobicContact CD2-CZ 4.04Å; L659-M729 CarbonylContact C-O 3.3Å; L659-M729 WeakPolarHBondContact CA-O 3.39Å; L659-M729 HydrophobicContact CD2-CB 3.94Å; L659-L731 HydrophobicContact CB-CD1 3.97Å; L659-L731 HydrophobicContact CD2-CD1 4.04Å; L659-L731 HydrophobicContact CG-CD1 4.39Å; L659-I742 HydrophobicContact CD1-CB 4.36Å; L659-I742 HydrophobicContact CD1-CD1 4.31Å; L659-I742 HydrophobicContact CD2-CG2 4.08Å; L659-A745 HydrophobicContact CD1-CB 3.97Å; L659-A745 HydrophobicContact CD2-CB 3.72Å; L659-A745 HydrophobicContact CG-CB 3.53Å; L659-R747 PolarHBondContact N-O 3.31Å; L659-V748 HydrophobicContact CB-CG2 4.47Å; L659-V748 CarbonylContact O-C 3.6Å; L659-V748 WeakPolarHBondContact O-CA 3.18Å; L659-I749 PolarHBondContact O-N 2.98Å; L659-A767 HydrophobicContact CD1-CB 4.13Å
660	I	94.7	Very high	83.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.6	175.7	-54.4	-177.5	0	0	0	107.8	L636 T658 I675 V728 M729 L730 L731 I749 L751	L636-I660 HydrophobicContact CD1-CD1 4.09Å; T658-I660 HydrophobicContact CG2-CG1 3.99Å; I660-I675 HydrophobicContact CD1-CD1 3.47Å; I660-I675 VanDerWaalsContact CD1-CD1 3.47Å; I660-V728 HydrophobicContact CD1-CG1 3.62Å; I660-V728 HydrophobicContact CG1-CG1 4.07Å; I660-M729 PolarHBondContact N-O 3.12Å; I660-L730 HydrophobicContact CB-CD2 3.82Å; I660-L730 HydrophobicContact CD1-CD2 3.88Å; I660-L730 HydrophobicContact CG1-CD2 4.24Å; I660-L730 HydrophobicContact CG2-CD2 4.26Å; I660-L731 PolarHBondContact O-N 3.4Å; I660-I749 WeakPolarHBondContact CA-O 3.42Å; I660-I749 HydrophobicContact CD1-CD1 4.44Å; I660-I749 HydrophobicContact CG1-CB 4.34Å; I660-I749 HydrophobicContact CG1-CD1 4.29Å; I660-I749 HydrophobicContact CG2-CB 4.49Å; I660-L751 HydrophobicContact CG2-CD1 3.56Å; I660-L751 HydrophobicContact CG2-CD2 4.2Å; I660-L751 HydrophobicContact CG2-CG 3.69Å
661	F	93.3	Very high	84.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.1	-179.3	-68.4	-78.3	0	0	0	111.5	L659 L731 V748 I749 L751 A763	L659-F661 HydrophobicContact CB-CD2 4.41Å; L659-F661 HydrophobicContact CB-CE2 3.8Å; L659-F661 HydrophobicContact CB-CZ 4.3Å; L659-F661 HydrophobicContact CD1-CE2 4.07Å; L659-F661 HydrophobicContact CD1-CZ 4.04Å; F661-L731 WeakPolarHBondContact CA-O 3.26Å; F661-L731 HydrophobicContact CD1-CB 3.7Å; F661-L731 HydrophobicContact CE1-CB 3.61Å; F661-L731 HydrophobicContact CE1-CD1 4.07Å; F661-L731 HydrophobicContact CE1-CD2 4.03Å; F661-L731 HydrophobicContact CE1-CG 4.12Å; F661-L731 HydrophobicContact CZ-CD1 4.18Å; F661-L731 HydrophobicContact CZ-CD2 4.45Å; F661-V748 HydrophobicContact CD2-CG1 3.73Å; F661-V748 HydrophobicContact CE2-CG1 3.73Å; F661-I749 PolarHBondContact N-O 2.55Å; F661-L751 PolarHBondContact O-N 3.22Å; F661-A763 HydrophobicContact CD1-CB 3.91Å; F661-A763 HydrophobicContact CD2-CB 4.04Å; F661-A763 HydrophobicContact CE1-CB 3.84Å; F661-A763 HydrophobicContact CE2-CB 3.97Å; F661-A763 HydrophobicContact CG-CB 4.01Å; F661-A763 HydrophobicContact CZ-CB 3.87Å; F661-A763 WeakPolarHBondContact CZ-O 3.45Å
662	S	92.6	Very high	86.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.2	167.8	177.8	0	0	0	0	112.3	S664 L731 T732 T733 D752	S662-S664 PolarHBondContact OG-N 3.14Å; S662-L731 PolarHBondContact N-O 2.87Å; S662-T732 CarbonylContact O-C 3.51Å; S662-T732 VanDerWaalsContact O-CA 3.25Å; S662-T732 WeakPolarHBondContact O-CA 3.29Å; S662-T733 PolarHBondContact O-N 2.87Å; S662-T733 PolarHBondContact O-OG1 3.41Å; S662-D752 WeakPolarHBondContact CA-OD1 3.3Å; S662-D752 WeakPolarHBondContact CB-OD1 3.31Å; S662-D752 PolarHBondContact OG-OD1 3.06Å
663	Q	87.5	Confident	87.4	Confident	74 Å²	74	29.5 Å²	29.5	35%	0.346	14%	0.137	S	C	.	.	S	Bend	trans	-82.9	-19.9	172.9	-62.2	157.9	51.3	0	0	112.7	K577 D752 P753 S754	K577-Q663 VanDerWaalsContact NZ-CD 3.26Å; Q663-D752 VanDerWaalsContact CB-OD2 3.23Å; Q663-D752 WeakPolarHBondContact CB-OD2 3.5Å; Q663-D752 VanDerWaalsContact CG-OD2 3.25Å; Q663-D752 WeakPolarHBondContact CG-OD2 3.49Å; Q663-D752 PolarHBondContact N-OD1 3.19Å; Q663-D752 PolarHBondContact N-OD2 3.16Å; Q663-D752 PolarHBondContact NE2-O 3.14Å; Q663-D752 PolarHBondContact NE2-OD2 2.88Å; Q663-P753 PolarHBondContact NE2-O 2.7Å; Q663-S754 VanDerWaalsContact NE2-CA 3.34Å
664	S	87.6	Confident	88.5	Confident	13 Å²	13	22.5 Å²	22.5	9%	0.091	11%	0.111	C	C	.	.			trans	-105.2	124.7	-179.7	-179.1	0	0	0	0	112.5	S662 K666 F667 L668	S662-S664 PolarHBondContact OG-N 3.14Å; S664-K666 VanDerWaalsContact C-N 3.29Å; S664-K666 PolarHBondContact O-N 2.92Å; S664-K666 PolarHBondContact OG-N 3.28Å; S664-F667 PolarHBondContact O-N 3.41Å; S664-F667 PolarHBondContact OG-N 3.27Å; S664-L668 PolarHBondContact O-N 3.37Å; S664-L668 VanDerWaalsContact O-N 3.16Å
665	I	87.9	Confident	89.6	Confident	7 Å²	7	18.4 Å²	18.4	4%	0.036	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-35.5	175.9	-53.8	178.8	0	0	0	110.7	F667 L668 D669 R706 T732 T1110	I665-F667 VanDerWaalsContact C-N 3.34Å; I665-F667 PolarHBondContact O-N 2.95Å; I665-L668 WeakPolarHBondContact O-CB 3.37Å; I665-L668 PolarHBondContact O-N 2.81Å; I665-D669 PolarHBondContact O-N 2.84Å; I665-R706 VanDerWaalsContact CG2-CZ 3.48Å; I665-T732 HydrophobicContact CG1-CG2 3.99Å; I665-T1110 HydrophobicContact CD1-CG2 4.24Å
666	K	87.4	Confident	90.4	Very high	81 Å²	81	21.3 Å²	21.3	35%	0.352	10%	0.103	S	C	.	.	H	α-helix	trans	-65.6	-34.6	175.2	-65.2	-179.4	-177.9	177.8	0	112.8	L585 S664 D669 M670	L585-K666 HydrophobicContact CD2-CB 3.63Å; S664-K666 VanDerWaalsContact C-N 3.29Å; S664-K666 PolarHBondContact O-N 2.92Å; S664-K666 PolarHBondContact OG-N 3.28Å; K666-D669 WeakPolarHBondContact O-CB 2.91Å; K666-D669 PolarHBondContact O-N 3.18Å; K666-M670 WeakPolarHBondContact O-CG 3.43Å; K666-M670 PolarHBondContact O-N 3.21Å
667	F	91.3	Very high	90.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.7	-34.2	176.9	-163.2	-149.4	0	0	0	110.8	D581 H582 L585 K632 F633 S664 I665 M670 A671 L751	D581-F667 HydrophobicContact CB-CD1 4.01Å; D581-F667 HydrophobicContact CB-CD2 4.43Å; D581-F667 HydrophobicContact CB-CE1 3.64Å; D581-F667 HydrophobicContact CB-CE2 4.12Å; D581-F667 HydrophobicContact CB-CG 4.41Å; D581-F667 HydrophobicContact CB-CZ 3.73Å; D581-F667 WeakPolarHBondContact O-CE2 3.31Å; D581-F667 WeakPolarHBondContact O-CZ 3.35Å; D581-F667 WeakPolarHBondContact OD1-CE1 3.27Å; H582-F667 HydrophobicContact CB-CD2 4.22Å; H582-F667 HydrophobicContact CB-CE2 3.97Å; L585-F667 HydrophobicContact CD1-CB 4.1Å; L585-F667 HydrophobicContact CD1-CD2 4.05Å; L585-F667 HydrophobicContact CD1-CG 4.09Å; L585-F667 HydrophobicContact CD2-CB 4.08Å; K632-F667 HydrophobicContact CB-CZ 4.41Å; K632-F667 HydrophobicContact CD-CE1 4.5Å; K632-F667 HydrophobicContact CD-CZ 4.16Å; F633-F667 HydrophobicContact CD1-CE2 4.25Å; F633-F667 HydrophobicContact CD2-CE2 4.42Å; F633-F667 AromaticContact CE1-CD2 3.93Å; F633-F667 HydrophobicContact CE1-CD2 3.93Å; F633-F667 AromaticContact CE1-CE2 3.53Å; F633-F667 HydrophobicContact CE1-CE2 3.53Å; F633-F667 HydrophobicContact CE1-CZ 4.21Å; F633-F667 AromaticContact CE2-CD2 3.99Å; F633-F667 HydrophobicContact CE2-CD2 3.99Å; F633-F667 AromaticContact CE2-CE2 3.72Å; F633-F667 HydrophobicContact CE2-CE2 3.72Å; F633-F667 AromaticContact CZ-CD2 3.32Å; F633-F667 HydrophobicContact CZ-CD2 3.32Å; F633-F667 AromaticContact CZ-CE2 3.22Å; F633-F667 HydrophobicContact CZ-CE2 3.22Å; F633-F667 HydrophobicContact CZ-CG 4.45Å; F633-F667 HydrophobicContact CZ-CZ 4.29Å; S664-F667 PolarHBondContact O-N 3.41Å; S664-F667 PolarHBondContact OG-N 3.27Å; I665-F667 VanDerWaalsContact C-N 3.34Å; I665-F667 PolarHBondContact O-N 2.95Å; F667-M670 PolarHBondContact O-N 3.09Å; F667-A671 WeakPolarHBondContact O-CB 3.43Å; F667-A671 PolarHBondContact O-N 2.97Å; F667-L751 HydrophobicContact CD1-CB 4.3Å; F667-L751 HydrophobicContact CD1-CD1 4.38Å; F667-L751 HydrophobicContact CE1-CB 3.77Å; F667-L751 HydrophobicContact CE1-CD1 4.28Å
668	L	91.7	Very high	90.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-40.9	167.2	-62.9	177.8	0	0	0	112.7	S664 I665 M670 A671 E672 L730 T732	S664-L668 PolarHBondContact O-N 3.37Å; S664-L668 VanDerWaalsContact O-N 3.16Å; I665-L668 WeakPolarHBondContact O-CB 3.37Å; I665-L668 PolarHBondContact O-N 2.81Å; L668-M670 VanDerWaalsContact C-N 3.29Å; L668-M670 PolarHBondContact O-N 3.49Å; L668-A671 PolarHBondContact O-N 3.11Å; L668-E672 WeakPolarHBondContact O-CB 3.44Å; L668-E672 PolarHBondContact O-N 3.11Å; L668-L730 HydrophobicContact CD2-CB 4.34Å; L668-T732 HydrophobicContact CD1-CG2 3.83Å
669	D	90.5	Very high	89.6	Confident	27 Å²	27	29.5 Å²	29.5	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-42.7	175	-62.5	-29.7	0	0	0	111.3	F620 I665 K666 K673 R702 R706	F620-D669 HydrophobicContact CE2-CB 3.98Å; F620-D669 HydrophobicContact CZ-CB 3.66Å; I665-D669 PolarHBondContact O-N 2.84Å; K666-D669 WeakPolarHBondContact O-CB 2.91Å; K666-D669 PolarHBondContact O-N 3.18Å; D669-K673 PolarHBondContact O-N 2.82Å; D669-R702 IonicContact OD1-CZ 3.46Å; D669-R702 IonicContact OD1-NH1 2.71Å; D669-R702 PolarHBondContact OD1-NH1 2.92Å; D669-R702 IonicContact OD1-NH2 2.81Å; D669-R702 PolarHBondContact OD1-NH2 2.97Å; D669-R706 IonicContact OD1-NH1 2.71Å; D669-R706 IonicContact OD2-NH1 3.3Å
670	M	90.5	Very high	88.4	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.02	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-42.5	175.1	-66.9	173.9	-164.9	0	0	112.3	H582 R584 L585 F620 L626 F633 K666 F667 L668 E672 K673 V674	H582-M670 HydrophobicContact CB-SD 4.28Å; R584-M670 HydrophobicContact CB-CE 4.17Å; L585-M670 HydrophobicContact CD2-CE 3.91Å; L585-M670 HydrophobicContact CD2-SD 4.32Å; L585-M670 HydrophobicContact CG-CE 4.4Å; F620-M670 HydrophobicContact CD1-CE 4.26Å; F620-M670 HydrophobicContact CD1-CG 3.89Å; F620-M670 HydrophobicContact CE1-CE 3.88Å; F620-M670 HydrophobicContact CE1-CG 3.73Å; L626-M670 HydrophobicContact CD1-CB 4.3Å; L626-M670 HydrophobicContact CD1-CG 4.48Å; L626-M670 HydrophobicContact CD2-CG 4.34Å; L626-M670 HydrophobicContact CD2-SD 4.29Å; F633-M670 HydrophobicContact CE2-CB 3.59Å; F633-M670 HydrophobicContact CE2-CG 4.47Å; F633-M670 HydrophobicContact CE2-SD 4.18Å; F633-M670 HydrophobicContact CZ-CB 3.48Å; F633-M670 VanDerWaalsContact CZ-CB 3.48Å; K666-M670 WeakPolarHBondContact O-CG 3.43Å; K666-M670 PolarHBondContact O-N 3.21Å; F667-M670 PolarHBondContact O-N 3.09Å; L668-M670 VanDerWaalsContact C-N 3.29Å; L668-M670 PolarHBondContact O-N 3.49Å; M670-E672 VanDerWaalsContact C-N 3.34Å; M670-E672 PolarHBondContact O-N 3.17Å; M670-K673 PolarHBondContact O-N 3.43Å; M670-V674 WeakPolarHBondContact O-CG2 3.26Å; M670-V674 PolarHBondContact O-N 3.32Å
671	A	91.8	Very high	86.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-41.2	177.2	0	0	0	0	0	112	F633 L636 F667 L668 K673 V674 I675 L751	F633-A671 HydrophobicContact CE1-CB 3.87Å; F633-A671 HydrophobicContact CZ-CB 4.4Å; L636-A671 HydrophobicContact CD2-CB 4.15Å; F667-A671 WeakPolarHBondContact O-CB 3.43Å; F667-A671 PolarHBondContact O-N 2.97Å; L668-A671 PolarHBondContact O-N 3.11Å; A671-K673 VanDerWaalsContact C-N 3.33Å; A671-K673 PolarHBondContact O-N 3.23Å; A671-V674 PolarHBondContact O-N 3.37Å; A671-I675 VanDerWaalsContact O-CG1 3.24Å; A671-I675 WeakPolarHBondContact O-CG1 3.11Å; A671-I675 PolarHBondContact O-N 2.77Å; A671-L751 HydrophobicContact CB-CD1 4.4Å
672	E	92.2	Very high	85.2	Confident	54 Å²	54	38.3 Å²	38.3	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-57.7	-46.1	175.5	-162.1	171.2	163.2	0	0	110.9	L668 M670 I675 L676 I700 R702 L730	L668-E672 WeakPolarHBondContact O-CB 3.44Å; L668-E672 PolarHBondContact O-N 3.11Å; M670-E672 VanDerWaalsContact C-N 3.34Å; M670-E672 PolarHBondContact O-N 3.17Å; E672-I675 PolarHBondContact O-N 2.92Å; E672-L676 HydrophobicContact CG-CD1 4.06Å; E672-L676 WeakPolarHBondContact O-CB 3.18Å; E672-L676 VanDerWaalsContact O-CG 3.27Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.33Å; E672-I700 HydrophobicContact CG-CD1 4.17Å; E672-R702 WeakPolarHBondContact OE2-CD 3.4Å; E672-R702 IonicContact OE2-CZ 2.84Å; E672-R702 IonicContact OE2-NE 2.6Å; E672-R702 IonicContact OE2-NH1 3.63Å; E672-R702 PolarHBondContact OE2-NH1 3.28Å; E672-L730 HydrophobicContact CB-CD1 3.57Å; E672-L730 HydrophobicContact CG-CD1 3.84Å
673	K	89.5	Confident	83.4	Confident	69 Å²	69	44 Å²	44	30%	0.3	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-43.1	175.7	-170.8	176.9	-174.8	-178.2	0	112.8	F620 P621 L626 D669 M670 A671 D677	F620-K673 HydrophobicContact CB-CD 4Å; F620-K673 PolarHBondContact O-NZ 3.39Å; P621-K673 PolarHBondContact O-NZ 3.45Å; L626-K673 HydrophobicContact CD1-CD 4.31Å; D669-K673 PolarHBondContact O-N 2.82Å; M670-K673 PolarHBondContact O-N 3.43Å; A671-K673 VanDerWaalsContact C-N 3.33Å; A671-K673 PolarHBondContact O-N 3.23Å; K673-D677 PolarHBondContact O-N 2.86Å
674	V	90.3	Very high	81.3	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-40.5	179.1	168.7	0	0	0	0	111.4	L626 I627 F633 H637 M670 A671 I678	L626-V674 HydrophobicContact CB-CG2 3.97Å; L626-V674 HydrophobicContact CD1-CG2 4.11Å; I627-V674 HydrophobicContact CD1-CG1 4.2Å; I627-V674 HydrophobicContact CG1-CG1 4Å; I627-V674 HydrophobicContact CG1-CG2 4.32Å; F633-V674 HydrophobicContact CD2-CG2 4.36Å; F633-V674 HydrophobicContact CG-CG2 4.33Å; H637-V674 HydrophobicContact CB-CG1 4.18Å; M670-V674 WeakPolarHBondContact O-CG2 3.26Å; M670-V674 PolarHBondContact O-N 3.32Å; A671-V674 PolarHBondContact O-N 3.37Å; V674-I678 WeakPolarHBondContact O-CG1 3.33Å
675	I	90.3	Very high	79.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-76.9	-39	-176.7	-62.9	170.2	0	0	0	112.1	L636 M640 I660 A671 E672 D677 I678 H698 I700 V728 L730	L636-I675 HydrophobicContact CD2-CD1 4.21Å; L636-I675 HydrophobicContact CD2-CG1 4.4Å; L636-I675 HydrophobicContact CG-CD1 4.5Å; M640-I675 HydrophobicContact CG-CD1 4.34Å; M640-I675 HydrophobicContact CG-CG1 4.15Å; I660-I675 HydrophobicContact CD1-CD1 3.47Å; I660-I675 VanDerWaalsContact CD1-CD1 3.47Å; A671-I675 VanDerWaalsContact O-CG1 3.24Å; A671-I675 WeakPolarHBondContact O-CG1 3.11Å; A671-I675 PolarHBondContact O-N 2.77Å; E672-I675 PolarHBondContact O-N 2.92Å; I675-D677 PolarHBondContact O-N 2.85Å; I675-I678 WeakPolarHBondContact O-CB 3.19Å; I675-I678 PolarHBondContact O-N 2.97Å; I675-H698 HydrophobicContact CG2-CB 3.87Å; I675-I700 HydrophobicContact CB-CD1 3.84Å; I675-I700 HydrophobicContact CG2-CD1 3.69Å; I675-I700 HydrophobicContact CG2-CG1 4.28Å; I675-V728 HydrophobicContact CD1-CG1 4.37Å; I675-V728 HydrophobicContact CG2-CG2 4.41Å; I675-L730 HydrophobicContact CD1-CD2 4.4Å
676	L	88.7	Confident	76.9	Confident	79 Å²	79	60 Å²	60	41%	0.414	31%	0.313	S	S	.	.	H	α-helix	trans	-68.2	-21	-179.9	-72.1	173.9	0	0	0	113.9	E672 I700	E672-L676 HydrophobicContact CG-CD1 4.06Å; E672-L676 WeakPolarHBondContact O-CB 3.18Å; E672-L676 VanDerWaalsContact O-CG 3.27Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 3.33Å; L676-I700 HydrophobicContact CD2-CD1 3.77Å; L676-I700 HydrophobicContact CD2-CG1 3.93Å; L676-I700 HydrophobicContact CG-CD1 3.69Å; L676-I700 HydrophobicContact CG-CG1 4.42Å
677	D	86.9	Confident	74.6	Confident	73 Å²	73	65.7 Å²	65.7	39%	0.39	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.1	177.5	-159.5	38.6	0	0	0	113.6	S623 K673 I675 K679	S623-D677 VanDerWaalsContact CB-OD2 3.32Å; S623-D677 WeakPolarHBondContact CB-OD2 3.35Å; S623-D677 PolarHBondContact OG-OD2 3.24Å; K673-D677 PolarHBondContact O-N 2.86Å; I675-D677 PolarHBondContact O-N 2.85Å; D677-K679 PolarHBondContact O-N 2.99Å; D677-K679 IonicContact OD1-NZ 3.89Å; D677-K679 PolarHBondContact OD1-NZ 3.33Å
678	I	84.4	Confident	72.2	Confident	8 Å²	8	69.7 Å²	69.7	4%	0.041	38%	0.38	C	S	.	.			trans	-69.9	103.9	176.7	-58.4	174.5	0	0	0	109.5	M640 K641 L644 V674 I675	M640-I678 HydrophobicContact CB-CD1 3.6Å; K641-I678 HydrophobicContact CB-CG2 3.96Å; K641-I678 HydrophobicContact CG-CG2 4.3Å; L644-I678 HydrophobicContact CD2-CG2 4.14Å; V674-I678 WeakPolarHBondContact O-CG1 3.33Å; I675-I678 WeakPolarHBondContact O-CB 3.19Å; I675-I678 PolarHBondContact O-N 2.97Å
679	K	78.4	Confident	70	Confident	130 Å²	130	74.6 Å²	74.6	57%	0.565	41%	0.406	S	S	*	.	B	Isolated β-bridge	trans	-115	122.2	175.2	-66	155.5	-168.7	138	0	109	D677 T696	D677-K679 PolarHBondContact O-N 2.99Å; D677-K679 IonicContact OD1-NZ 3.89Å; D677-K679 PolarHBondContact OD1-NZ 3.33Å; K679-T696 WeakPolarHBondContact CA-O 3.33Å
680	C	68.9	Low	68	Low	7 Å²	7	81 Å²	81	5%	0.047	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-91.8	136.7	166.6	-77.1	0	0	0	0	109.2	L644 T696	L644-C680 HydrophobicContact CD2-CB 3.91Å; L644-C680 HydrophobicContact CG-CB 4.11Å; C680-T696 PolarHBondContact N-O 3.2Å; C680-T696 VanDerWaalsContact N-O 3.15Å
681	P	62.2	Low	66.2	Low	99 Å²	99	86.8 Å²	86.8	64%	0.643	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-61.8	153.7	175.2	27.9	-34.5	0	0	0	110.6	Q648	Q648-P681 PolarHBondContact NE2-O 2.83Å
682	V	58.5	Low	64.4	Low	79 Å²	79	91 Å²	91	48%	0.479	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-78.5	122	168.7	-176.7	0	0	0	0	107.8	N684 T696	V682-N684 WeakPolarHBondContact CG1-OD1 3.39Å; V682-N684 PolarHBondContact O-N 3.47Å; V682-T696 HydrophobicContact CG2-CG2 3.56Å
683	N	54.2	Low	62.7	Low	118 Å²	118	97 Å²	97	63%	0.631	52%	0.521	S	S	*	.			trans	-72.6	95	169.6	-72.9	-22.5	0	0	0	108.5	H685	N683-H685 PolarHBondContact O-N 3.09Å
684	N	44.9	Very low	61.3	Low	138 Å²	138	98.7 Å²	98.7	74%	0.738	53%	0.526	S	S	*	.			trans	-70.7	39.7	178.4	-72.6	-2	0	0	0	113.4	V682 T686	V682-N684 WeakPolarHBondContact CG1-OD1 3.39Å; V682-N684 PolarHBondContact O-N 3.47Å; N684-T686 PolarHBondContact O-N 3.26Å
685	H	46.3	Very low	60.1	Low	160 Å²	160	101.1 Å²	101.1	74%	0.741	54%	0.542	S	S	*	.			trans	-83.5	92.4	170.6	-84.5	-63	0	0	0	109.9	N683 F687	N683-H685 PolarHBondContact O-N 3.09Å; H685-F687 PolarHBondContact O-N 3.17Å; H685-F687 VanDerWaalsContact O-N 3.12Å
686	T	36.5	Very low	59.1	Low	133 Å²	133	103.7 Å²	103.7	82%	0.816	56%	0.557	S	S	*	*			trans	-58.8	105.8	176.8	50.4	0	0	0	0	112	N684	N684-T686 PolarHBondContact O-N 3.26Å
687	F	39.4	Very low	58.7	Low	201 Å²	201	104.8 Å²	104.8	88%	0.882	56%	0.56	S	S	*	*			trans	-135	71.3	168.6	-93.8	-79.2	0	0	0	111.5	H685 D689	H685-F687 PolarHBondContact O-N 3.17Å; H685-F687 VanDerWaalsContact O-N 3.12Å; F687-D689 PolarHBondContact O-N 3.02Å
688	G	39.9	Very low	58.7	Low	84 Å²	84	101.5 Å²	101.5	87%	0.866	54%	0.543	S	S	*	.	S	Bend	trans	85.6	1.5	140	0	0	0	0	0	121
689	D	45.5	Very low	58.9	Low	103 Å²	103	106 Å²	106	55%	0.551	56%	0.559	S	S	*	*			trans	-144.3	105.1	175	-162.5	-12.1	0	0	0	112.5	F687 N691	F687-D689 PolarHBondContact O-N 3.02Å; D689-N691 PolarHBondContact O-N 3.08Å
690	D	49.5	Very low	59.5	Low	160 Å²	160	101 Å²	101	86%	0.856	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	13.6	-163.5	-68.8	-41.2	0	0	0	115.5
691	N	52.6	Low	60.6	Low	127 Å²	127	101.8 Å²	101.8	68%	0.679	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-14	-172.9	-70.5	-79.2	0	0	0	115.7	D689 H693	D689-N691 PolarHBondContact O-N 3.08Å; N691-H693 PolarHBondContact O-N 3.14Å; N691-H693 VanDerWaalsContact O-N 3.15Å; N691-H693 PolarHBondContact O-ND1 3.36Å
692	I	53.1	Low	62	Low	89 Å²	89	99.5 Å²	99.5	46%	0.456	52%	0.52	S	S	.	.			trans	-82.8	99.2	-169.9	-52.5	-178.8	0	0	0	111.8	Y694	I692-Y694 HydrophobicContact CG2-CD1 4.15Å; I692-Y694 HydrophobicContact CG2-CE1 3.49Å; I692-Y694 VanDerWaalsContact CG2-CE1 3.49Å; I692-Y694 HydrophobicContact CG2-CE2 4.35Å; I692-Y694 PolarHBondContact O-N 2.82Å
693	H	57.2	Low	63.4	Low	180 Å²	180	95.8 Å²	95.8	83%	0.833	50%	0.498	S	S	*	.			trans	-85.1	103.3	177.4	-73.2	67.7	0	0	0	112	N691	N691-H693 PolarHBondContact O-N 3.14Å; N691-H693 VanDerWaalsContact O-N 3.15Å; N691-H693 PolarHBondContact O-ND1 3.36Å
694	Y	59.8	Low	64.8	Low	103 Å²	103	90.5 Å²	90.5	40%	0.404	47%	0.47	S	S	.	.			trans	-74.7	142.3	176.6	-54.6	-69.8	0	0	0	112.7	P651 I692 T696	P651-Y694 HydrophobicContact CB-CE1 4.22Å; P651-Y694 HydrophobicContact CG-CD1 4.21Å; P651-Y694 HydrophobicContact CG-CE1 3.57Å; I692-Y694 HydrophobicContact CG2-CD1 4.15Å; I692-Y694 HydrophobicContact CG2-CE1 3.49Å; I692-Y694 VanDerWaalsContact CG2-CE1 3.49Å; I692-Y694 HydrophobicContact CG2-CE2 4.35Å; I692-Y694 PolarHBondContact O-N 2.82Å; Y694-T696 PolarHBondContact O-N 3.18Å
695	P	65.1	Low	66.2	Low	53 Å²	53	85.8 Å²	85.8	34%	0.344	45%	0.454	S	S	.	.			trans	-68.5	123.9	173.2	28.3	-33.3	0	0	0	110.9	L644 L647	L644-P695 HydrophobicContact CD1-CB 4.48Å; L644-P695 WeakPolarHBondContact CD1-O 3.44Å; L647-P695 HydrophobicContact CB-CG 4.25Å; L647-P695 HydrophobicContact CD1-CG 4.2Å
696	T	68.5	Low	67.7	Low	53 Å²	53	84.4 Å²	84.4	33%	0.325	44%	0.442	S	S	.	.			trans	-98.9	-9.8	179.5	50.6	0	0	0	0	114	K679 C680 V682 Y694	K679-T696 WeakPolarHBondContact CA-O 3.33Å; C680-T696 PolarHBondContact N-O 3.2Å; C680-T696 VanDerWaalsContact N-O 3.15Å; V682-T696 HydrophobicContact CG2-CG2 3.56Å; Y694-T696 PolarHBondContact O-N 3.18Å
697	Q	81.5	Confident	69.6	Low	102 Å²	102	79.4 Å²	79.4	48%	0.477	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-152.8	158.7	-176.3	63.5	-175.1	2.8	0	0	110.2
698	H	85.5	Confident	70.9	Confident	5 Å²	5	73.2 Å²	73.2	2%	0.023	40%	0.397	C	S	.	.			trans	-74.9	149.8	172.1	-65.9	-89.9	0	0	0	111.8	M640 I675 T727 V728	M640-H698 PolarHBondContact O-CE1 3.41Å; M640-H698 PolarHBondContact O-NE2 3.33Å; M640-H698 VanDerWaalsContact O-NE2 3.09Å; I675-H698 HydrophobicContact CG2-CB 3.87Å; H698-T727 PolarHBondContact ND1-OG1 2.97Å; H698-T727 VanDerWaalsContact ND1-OG1 3.15Å; H698-V728 HydrophobicContact CB-CG2 4.41Å
699	R	88.9	Confident	72.4	Confident	101 Å²	101	75.9 Å²	75.9	38%	0.381	39%	0.385	S	S	.	.			trans	-112.4	125.5	166.4	-73.8	176.4	57.7	177.1	-15.8	109.2	D723 S725 Y726 T727 V728	R699-D723 IonicContact NH2-OD2 2.76Å; R699-D723 PolarHBondContact NH2-OD2 3.18Å; R699-S725 WeakPolarHBondContact CB-O 3.05Å; R699-S725 PolarHBondContact NH1-OG 3.31Å; R699-S725 PolarHBondContact NH2-OG 2.73Å; R699-Y726 HydrophobicContact CB-CD1 3.86Å; R699-Y726 HydrophobicContact CB-CE1 4.36Å; R699-Y726 PolarHBondContact NH2-OH 3.46Å; R699-T727 PolarHBondContact N-OG1 3.36Å; R699-T727 PolarHBondContact O-N 2.89Å; R699-V728 PolarHBondContact O-N 3.15Å
700	I	91.4	Very high	73.6	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.128	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.4	-172.1	-51.6	-173.6	0	0	0	110.2	E672 I675 L676 V728 L730	E672-I700 HydrophobicContact CG-CD1 4.17Å; I675-I700 HydrophobicContact CB-CD1 3.84Å; I675-I700 HydrophobicContact CG2-CD1 3.69Å; I675-I700 HydrophobicContact CG2-CG1 4.28Å; L676-I700 HydrophobicContact CD2-CD1 3.77Å; L676-I700 HydrophobicContact CD2-CG1 3.93Å; L676-I700 HydrophobicContact CG-CD1 3.69Å; L676-I700 HydrophobicContact CG-CG1 4.42Å; I700-V728 CarbonylContact C-O 3.59Å; I700-V728 WeakPolarHBondContact CA-O 3.43Å; I700-V728 HydrophobicContact CG1-CB 4.28Å; I700-V728 HydrophobicContact CG2-CG1 4.46Å; I700-L730 HydrophobicContact CG2-CD1 3.97Å; I700-L730 HydrophobicContact CG2-CG 3.73Å
701	L	92.4	Very high	74.9	Confident	24 Å²	24	70.2 Å²	70.2	13%	0.126	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.9	158.2	-74.7	169.6	0	0	0	109.8	I716 K719 F720 Y726 V728 M729 L730	L701-I716 HydrophobicContact CB-CG2 4.21Å; L701-K719 HydrophobicContact CD1-CB 4.03Å; L701-F720 HydrophobicContact CD1-CB 3.82Å; L701-F720 HydrophobicContact CD1-CD2 4.26Å; L701-Y726 HydrophobicContact CD1-CD1 3.86Å; L701-Y726 HydrophobicContact CD1-CD2 3.78Å; L701-Y726 HydrophobicContact CD1-CE1 4.14Å; L701-Y726 HydrophobicContact CD1-CE2 4.08Å; L701-Y726 HydrophobicContact CD1-CG 3.66Å; L701-Y726 HydrophobicContact CD2-CD1 4.19Å; L701-Y726 HydrophobicContact CD2-CE1 3.81Å; L701-Y726 HydrophobicContact CG-CD1 3.54Å; L701-Y726 HydrophobicContact CG-CD2 4.37Å; L701-Y726 HydrophobicContact CG-CE1 3.71Å; L701-Y726 HydrophobicContact CG-CG 3.9Å; L701-V728 PolarHBondContact N-O 2.79Å; L701-M729 HydrophobicContact CB-CE 4.08Å; L701-M729 HydrophobicContact CB-CG 4.42Å; L701-M729 HydrophobicContact CD1-CE 4.42Å; L701-M729 CarbonylContact O-C 3.56Å; L701-M729 VanDerWaalsContact O-CA 3.25Å; L701-M729 WeakPolarHBondContact O-CA 3.47Å; L701-L730 PolarHBondContact O-N 3.04Å
702	R	90.4	Very high	76.2	Confident	51 Å²	51	67.5 Å²	67.5	19%	0.192	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.6	-174.1	-179.8	173.1	174.1	144.4	-1.4	111.1	D669 E672 D704 L730	D669-R702 IonicContact OD1-CZ 3.46Å; D669-R702 IonicContact OD1-NH1 2.71Å; D669-R702 PolarHBondContact OD1-NH1 2.92Å; D669-R702 IonicContact OD1-NH2 2.81Å; D669-R702 PolarHBondContact OD1-NH2 2.97Å; E672-R702 WeakPolarHBondContact OE2-CD 3.4Å; E672-R702 IonicContact OE2-CZ 2.84Å; E672-R702 IonicContact OE2-NE 2.6Å; E672-R702 IonicContact OE2-NH1 3.63Å; E672-R702 PolarHBondContact OE2-NH1 3.28Å; R702-D704 IonicContact CZ-OD2 3.71Å; R702-D704 VanDerWaalsContact CZ-OD2 3.27Å; R702-D704 IonicContact NE-OD2 3.76Å; R702-D704 PolarHBondContact NE-OD2 2.8Å; R702-D704 IonicContact NH2-OD2 3.95Å; R702-D704 PolarHBondContact NH2-OD2 3.48Å; R702-L730 CarbonylContact C-O 3.59Å; R702-L730 WeakPolarHBondContact CA-O 3.3Å; R702-L730 HydrophobicContact CG-CB 4.5Å
703	L	88.1	Confident	77.5	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	91.3	179.8	-162.9	71	0	0	0	111	R713 I716 I717 L730 L731 T732 V735 L740	L703-R713 HydrophobicContact CD1-CB 4.03Å; L703-R713 HydrophobicContact CD1-CG 4.14Å; L703-I716 HydrophobicContact CD1-CB 4.29Å; L703-I716 HydrophobicContact CD1-CD1 3.93Å; L703-I716 HydrophobicContact CD1-CG2 4.27Å; L703-I717 HydrophobicContact CD2-CD1 4.11Å; L703-I717 HydrophobicContact CD2-CG1 4.1Å; L703-L730 PolarHBondContact N-O 3.17Å; L703-L731 HydrophobicContact CB-CD2 4.43Å; L703-L731 HydrophobicContact CB-CG 4.4Å; L703-L731 HydrophobicContact CD2-CD2 4.21Å; L703-L731 WeakPolarHBondContact O-CA 3.34Å; L703-T732 PolarHBondContact O-N 3.15Å; L703-V735 HydrophobicContact CD2-CG1 3.66Å; L703-V735 HydrophobicContact CG-CG1 3.86Å; L703-L740 HydrophobicContact CD2-CD1 3.76Å
704	D	84.3	Confident	78.6	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.037	31%	0.309	C	S	.	.			trans	-120.6	178.7	177.3	67.3	24.1	0	0	0	111.9	R702 R706 T707 T732	R702-D704 IonicContact CZ-OD2 3.71Å; R702-D704 VanDerWaalsContact CZ-OD2 3.27Å; R702-D704 IonicContact NE-OD2 3.76Å; R702-D704 PolarHBondContact NE-OD2 2.8Å; R702-D704 IonicContact NH2-OD2 3.95Å; R702-D704 PolarHBondContact NH2-OD2 3.48Å; D704-R706 PolarHBondContact O-N 3.17Å; D704-R706 VanDerWaalsContact O-N 3.14Å; D704-R706 VanDerWaalsContact OD1-CB 3.23Å; D704-R706 WeakPolarHBondContact OD1-CB 3.35Å; D704-R706 PolarHBondContact OD1-N 2.86Å; D704-T707 PolarHBondContact O-N 2.72Å; D704-T732 HydrophobicContact CB-CG2 3.7Å
705	G	74.7	Confident	79.8	Confident	39 Å²	39	56.3 Å²	56.3	40%	0.402	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.5	-178.9	0	0	0	0	0	115.1	T707	G705-T707 PolarHBondContact O-N 3.2Å
706	R	78.1	Confident	80.9	Confident	130 Å²	130	55 Å²	55	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.9	178.3	-56.3	172.4	172.5	155.6	0.2	111.7	I665 D669 D704 A708 D1113	I665-R706 VanDerWaalsContact CG2-CZ 3.48Å; D669-R706 IonicContact OD1-NH1 2.71Å; D669-R706 IonicContact OD2-NH1 3.3Å; D704-R706 PolarHBondContact O-N 3.17Å; D704-R706 VanDerWaalsContact O-N 3.14Å; D704-R706 VanDerWaalsContact OD1-CB 3.23Å; D704-R706 WeakPolarHBondContact OD1-CB 3.35Å; D704-R706 PolarHBondContact OD1-N 2.86Å; R706-A708 PolarHBondContact O-N 3.36Å; R706-D1113 IonicContact NE-OD1 2.81Å; R706-D1113 IonicContact NH2-OD1 3.27Å
707	T	75.7	Confident	81.7	Confident	28 Å²	28	52.7 Å²	52.7	17%	0.172	28%	0.28	C	S	.	.			trans	-77.2	87.2	173.1	-52	0	0	0	0	109.4	D704 G705 D712 R713 I716	D704-T707 PolarHBondContact O-N 2.72Å; G705-T707 PolarHBondContact O-N 3.2Å; T707-D712 HydrophobicContact CG2-CB 3.8Å; T707-R713 HydrophobicContact CG2-CG 3.73Å; T707-R713 PolarHBondContact O-NE 2.69Å; T707-R713 PolarHBondContact O-NH2 2.84Å; T707-I716 HydrophobicContact CG2-CD1 4.22Å
708	A	66	Low	82	Confident	71 Å²	71	52 Å²	52	59%	0.587	28%	0.279	S	S	*	.			trans	-67.1	-42.7	-174	0	0	0	0	0	114.1	R706	R706-A708 PolarHBondContact O-N 3.36Å
709	K	71.3	Confident	82.2	Confident	140 Å²	140	56.7 Å²	56.7	61%	0.609	30%	0.299	S	S	*	.			trans	-79	129.5	-173.1	-63.1	177	-177.6	171.4	0	112	C711 D712 R713	K709-C711 VanDerWaalsContact C-N 3.27Å; K709-C711 PolarHBondContact O-N 3.37Å; K709-D712 HydrophobicContact CB-CB 4.23Å; K709-D712 WeakPolarHBondContact CB-OD2 3.44Å; K709-D712 PolarHBondContact O-N 2.99Å; K709-D712 VanDerWaalsContact O-N 3.09Å; K709-R713 PolarHBondContact O-N 2.88Å; K709-R713 VanDerWaalsContact O-N 3.11Å
710	V	71.5	Confident	82.3	Confident	47 Å²	47	51.9 Å²	51.9	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-37.1	175.4	-178.7	0	0	0	0	112	V309 D712 R713 L714	V309-V710 HydrophobicContact CG2-CG1 4.33Å; V710-D712 VanDerWaalsContact C-N 3.32Å; V710-D712 PolarHBondContact O-N 3.11Å; V710-R713 WeakPolarHBondContact O-CB 3.5Å; V710-R713 PolarHBondContact O-N 3.02Å; V710-L714 HydrophobicContact CG1-CD1 4.18Å; V710-L714 HydrophobicContact CG1-CG 4.45Å; V710-L714 WeakPolarHBondContact O-CG 3.23Å; V710-L714 PolarHBondContact O-N 3.44Å
711	C	75.8	Confident	82.1	Confident	97 Å²	97	53.8 Å²	53.8	66%	0.655	29%	0.29	S	S	*	.	H	α-helix	trans	-59.5	-41.3	175.5	-56.6	0	0	0	0	112.3	K709 L714 S715	K709-C711 VanDerWaalsContact C-N 3.27Å; K709-C711 PolarHBondContact O-N 3.37Å; C711-L714 PolarHBondContact O-N 3.07Å; C711-S715 PolarHBondContact O-N 3.31Å
712	D	81.5	Confident	82	Confident	70 Å²	70	59 Å²	59	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-69.9	-43.5	-179.7	-59	-10.5	0	0	0	109.8	T707 K709 V710 L714 S715 I716	T707-D712 HydrophobicContact CG2-CB 3.8Å; K709-D712 HydrophobicContact CB-CB 4.23Å; K709-D712 WeakPolarHBondContact CB-OD2 3.44Å; K709-D712 PolarHBondContact O-N 2.99Å; K709-D712 VanDerWaalsContact O-N 3.09Å; V710-D712 VanDerWaalsContact C-N 3.32Å; V710-D712 PolarHBondContact O-N 3.11Å; D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 2.87Å; D712-S715 PolarHBondContact O-N 3.29Å; D712-S715 VanDerWaalsContact O-N 3.1Å; D712-S715 PolarHBondContact O-OG 3.15Å; D712-I716 WeakPolarHBondContact O-CG1 3.48Å; D712-I716 PolarHBondContact O-N 3.05Å; D712-I716 VanDerWaalsContact O-N 3.09Å
713	R	80.5	Confident	81.9	Confident	21 Å²	21	59.4 Å²	59.4	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-52.7	-48.7	172.2	-62.7	176.8	-177	166.8	2.2	110.9	L703 T707 K709 V710 I716 I717 E1107	L703-R713 HydrophobicContact CD1-CB 4.03Å; L703-R713 HydrophobicContact CD1-CG 4.14Å; T707-R713 HydrophobicContact CG2-CG 3.73Å; T707-R713 PolarHBondContact O-NE 2.69Å; T707-R713 PolarHBondContact O-NH2 2.84Å; K709-R713 PolarHBondContact O-N 2.88Å; K709-R713 VanDerWaalsContact O-N 3.11Å; V710-R713 WeakPolarHBondContact O-CB 3.5Å; V710-R713 PolarHBondContact O-N 3.02Å; R713-I716 PolarHBondContact O-N 2.91Å; R713-I717 WeakPolarHBondContact O-CD1 3.32Å; R713-I717 WeakPolarHBondContact O-CG1 3.44Å; R713-I717 PolarHBondContact O-N 3.08Å; R713-E1107 IonicContact CZ-OE1 2.94Å; R713-E1107 IonicContact CZ-OE2 3.33Å; R713-E1107 IonicContact NH1-OE1 2.78Å; R713-E1107 PolarHBondContact NH1-OE1 3.49Å; R713-E1107 IonicContact NH1-OE2 3.19Å; R713-E1107 IonicContact NH2-OE1 3.68Å; R713-E1107 PolarHBondContact NH2-OE1 3.25Å; R713-E1107 IonicContact NH2-OE2 3.63Å; R713-E1107 PolarHBondContact NH2-OE2 2.86Å
714	L	79.8	Confident	81.7	Confident	72 Å²	72	65.3 Å²	65.3	38%	0.377	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-37.6	176.8	-69.4	171.8	0	0	0	113	V710 C711 D712 I716 I717 N718	V710-L714 HydrophobicContact CG1-CD1 4.18Å; V710-L714 HydrophobicContact CG1-CG 4.45Å; V710-L714 WeakPolarHBondContact O-CG 3.23Å; V710-L714 PolarHBondContact O-N 3.44Å; C711-L714 PolarHBondContact O-N 3.07Å; D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 2.87Å; L714-I716 VanDerWaalsContact C-N 3.32Å; L714-I716 PolarHBondContact O-N 3.28Å; L714-I717 PolarHBondContact O-N 3.21Å; L714-N718 WeakPolarHBondContact O-CB 3.41Å; L714-N718 VanDerWaalsContact O-CG 3.31Å; L714-N718 PolarHBondContact O-N 3.09Å
715	S	85.2	Confident	81.7	Confident	44 Å²	44	66.9 Å²	66.9	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-38	178.5	85.8	0	0	0	0	112.5	C711 D712 K719	C711-S715 PolarHBondContact O-N 3.31Å; D712-S715 PolarHBondContact O-N 3.29Å; D712-S715 VanDerWaalsContact O-N 3.1Å; D712-S715 PolarHBondContact O-OG 3.15Å; S715-K719 WeakPolarHBondContact O-CB 3.47Å; S715-K719 WeakPolarHBondContact O-CD 3.31Å; S715-K719 VanDerWaalsContact O-CG 3.24Å; S715-K719 WeakPolarHBondContact O-CG 3.38Å; S715-K719 PolarHBondContact O-N 2.9Å
716	I	87.3	Confident	82.4	Confident	25 Å²	25	67.1 Å²	67.1	13%	0.128	35%	0.35	C	S	.	.	H	α-helix	trans	-68	-41.6	178.8	-68.1	161	0	0	0	110.3	L701 L703 T707 D712 R713 L714 K719 F720 M729	L701-I716 HydrophobicContact CB-CG2 4.21Å; L703-I716 HydrophobicContact CD1-CB 4.29Å; L703-I716 HydrophobicContact CD1-CD1 3.93Å; L703-I716 HydrophobicContact CD1-CG2 4.27Å; T707-I716 HydrophobicContact CG2-CD1 4.22Å; D712-I716 WeakPolarHBondContact O-CG1 3.48Å; D712-I716 PolarHBondContact O-N 3.05Å; D712-I716 VanDerWaalsContact O-N 3.09Å; R713-I716 PolarHBondContact O-N 2.91Å; L714-I716 VanDerWaalsContact C-N 3.32Å; L714-I716 PolarHBondContact O-N 3.28Å; I716-K719 PolarHBondContact O-N 3.47Å; I716-F720 PolarHBondContact O-N 3.27Å; I716-F720 VanDerWaalsContact O-N 3.08Å; I716-M729 HydrophobicContact CG2-CE 3.95Å
717	I	86.1	Confident	83	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-45.8	177.1	-64	162.9	0	0	0	110.8	L703 R713 L714 K719 F720 Q721 L740	L703-I717 HydrophobicContact CD2-CD1 4.11Å; L703-I717 HydrophobicContact CD2-CG1 4.1Å; R713-I717 WeakPolarHBondContact O-CD1 3.32Å; R713-I717 WeakPolarHBondContact O-CG1 3.44Å; R713-I717 PolarHBondContact O-N 3.08Å; L714-I717 PolarHBondContact O-N 3.21Å; I717-K719 VanDerWaalsContact C-N 3.32Å; I717-K719 PolarHBondContact O-N 2.95Å; I717-F720 PolarHBondContact O-N 3.32Å; I717-F720 VanDerWaalsContact O-N 3.14Å; I717-Q721 PolarHBondContact O-N 3.12Å; I717-L740 HydrophobicContact CD1-CD1 3.65Å; I717-L740 HydrophobicContact CD1-CD2 3.5Å; I717-L740 HydrophobicContact CD1-CG 4.05Å
718	N	87.3	Confident	83.8	Confident	86 Å²	86	60.1 Å²	60.1	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-37.3	178.2	-71	-10.1	0	0	0	111.9	L714 Q721 N722	L714-N718 WeakPolarHBondContact O-CB 3.41Å; L714-N718 VanDerWaalsContact O-CG 3.31Å; L714-N718 PolarHBondContact O-N 3.09Å; N718-Q721 PolarHBondContact O-N 2.78Å; N718-N722 WeakPolarHBondContact O-CB 3.23Å; N718-N722 VanDerWaalsContact O-CG 3.31Å; N718-N722 PolarHBondContact O-N 3.15Å; N718-N722 PolarHBondContact O-ND2 3.12Å
719	K	90.6	Very high	85.1	Confident	105 Å²	105	56.7 Å²	56.7	46%	0.457	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-48.5	170.5	-74.7	163.8	-177.2	170	0	111.2	L701 S715 I716 I717 Q721 N722 D723 Y726	L701-K719 HydrophobicContact CD1-CB 4.03Å; S715-K719 WeakPolarHBondContact O-CB 3.47Å; S715-K719 WeakPolarHBondContact O-CD 3.31Å; S715-K719 VanDerWaalsContact O-CG 3.24Å; S715-K719 WeakPolarHBondContact O-CG 3.38Å; S715-K719 PolarHBondContact O-N 2.9Å; I716-K719 PolarHBondContact O-N 3.47Å; I717-K719 VanDerWaalsContact C-N 3.32Å; I717-K719 PolarHBondContact O-N 2.95Å; K719-Q721 PolarHBondContact O-N 3.42Å; K719-N722 PolarHBondContact O-N 3.04Å; K719-D723 WeakPolarHBondContact O-CB 3.43Å; K719-D723 PolarHBondContact O-N 3.14Å; K719-Y726 HydrophobicContact CB-CE2 4.49Å
720	F	90.8	Very high	86.1	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-28.2	-179.8	-170.8	-98.1	0	0	0	114.4	R657 L659 L701 I716 I717 M729 I742 S744 A745	R657-F720 HydrophobicContact CB-CE1 4.46Å; R657-F720 HydrophobicContact CB-CZ 3.94Å; R657-F720 HydrophobicContact CG-CZ 4.38Å; R657-F720 VanDerWaalsContact CZ-O 3.25Å; R657-F720 PolarHBondContact NH1-O 2.92Å; R657-F720 VanDerWaalsContact NH1-O 3.12Å; R657-F720 PolarHBondContact NH2-O 2.72Å; R657-F720 VanDerWaalsContact NH2-O 3.08Å; L659-F720 HydrophobicContact CD2-CE1 3.85Å; L659-F720 HydrophobicContact CD2-CZ 4.04Å; L701-F720 HydrophobicContact CD1-CB 3.82Å; L701-F720 HydrophobicContact CD1-CD2 4.26Å; I716-F720 PolarHBondContact O-N 3.27Å; I716-F720 VanDerWaalsContact O-N 3.08Å; I717-F720 PolarHBondContact O-N 3.32Å; I717-F720 VanDerWaalsContact O-N 3.14Å; F720-M729 HydrophobicContact CB-CE 3.35Å; F720-M729 HydrophobicContact CD1-CE 4.15Å; F720-M729 HydrophobicContact CD2-CB 4.06Å; F720-M729 HydrophobicContact CD2-CE 4.01Å; F720-M729 HydrophobicContact CE2-CB 3.88Å; F720-M729 HydrophobicContact CG-CE 3.58Å; F720-M729 HydrophobicContact CZ-CB 4.2Å; F720-I742 HydrophobicContact CD1-CG2 3.56Å; F720-I742 HydrophobicContact CE1-CG2 3.79Å; F720-S744 VanDerWaalsContact CD1-OG 3.26Å; F720-S744 WeakPolarHBondContact CD1-OG 3.25Å; F720-S744 WeakPolarHBondContact CE1-OG 3.44Å; F720-S744 PolarHBondContact O-OG 2.84Å; F720-A745 HydrophobicContact CE1-CB 4.15Å
721	Q	87.9	Confident	87.1	Confident	65 Å²	65	47.9 Å²	47.9	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-72.2	-48.2	172.8	-71.1	-171.5	44.4	0	0	111.4	R657 I717 N718 K719 T741	R657-Q721 PolarHBondContact NH2-O 2.91Å; I717-Q721 PolarHBondContact O-N 3.12Å; N718-Q721 PolarHBondContact O-N 2.78Å; K719-Q721 PolarHBondContact O-N 3.42Å; Q721-T741 PolarHBondContact NE2-O 2.73Å
722	N	89.7	Confident	87.7	Confident	133 Å²	133	43.9 Å²	43.9	71%	0.711	22%	0.224	S	C	*	.	H	α-helix	trans	-85.6	-43.2	-169.7	-62.3	-15.4	0	0	0	113.7	N718 K719 K724	N718-N722 WeakPolarHBondContact O-CB 3.23Å; N718-N722 VanDerWaalsContact O-CG 3.31Å; N718-N722 PolarHBondContact O-N 3.15Å; N718-N722 PolarHBondContact O-ND2 3.12Å; K719-N722 PolarHBondContact O-N 3.04Å; N722-K724 PolarHBondContact O-N 3.05Å
723	D	88.2	Confident	87.8	Confident	60 Å²	60	40.7 Å²	40.7	32%	0.321	21%	0.207	S	C	.	.			trans	-86.3	113.3	-177.2	-179.7	-5.4	0	0	0	110.1	R657 R699 K719 S725 Y726	R657-D723 VanDerWaalsContact CZ-O 3.28Å; R657-D723 PolarHBondContact NH1-O 3.38Å; R657-D723 VanDerWaalsContact NH2-C 3.34Å; R657-D723 PolarHBondContact NH2-O 3.45Å; R699-D723 IonicContact NH2-OD2 2.76Å; R699-D723 PolarHBondContact NH2-OD2 3.18Å; K719-D723 WeakPolarHBondContact O-CB 3.43Å; K719-D723 PolarHBondContact O-N 3.14Å; D723-S725 PolarHBondContact O-N 3.01Å; D723-S725 VanDerWaalsContact OD1-CB 3.26Å; D723-S725 WeakPolarHBondContact OD1-CB 3.17Å; D723-S725 PolarHBondContact OD1-N 3.39Å; D723-S725 PolarHBondContact OD1-OG 2.94Å; D723-S725 PolarHBondContact OD2-OG 3.15Å; D723-S725 VanDerWaalsContact OD2-OG 3.04Å; D723-Y726 HydrophobicContact CB-CD2 3.87Å; D723-Y726 HydrophobicContact CB-CE2 4.01Å; D723-Y726 WeakPolarHBondContact OD2-CE2 3.25Å
724	K	84.3	Confident	87.4	Confident	126 Å²	126	46 Å²	46	55%	0.548	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.9	179.1	-77.8	-165.5	171.8	-164.5	0	114.3	D654 N722 Y726	D654-K724 WeakPolarHBondContact OD1-CE 3.39Å; D654-K724 IonicContact OD1-NZ 3.7Å; D654-K724 PolarHBondContact OD1-NZ 3.29Å; D654-K724 IonicContact OD2-NZ 2.9Å; D654-K724 PolarHBondContact OD2-NZ 3.48Å; N722-K724 PolarHBondContact O-N 3.05Å; K724-Y726 PolarHBondContact O-N 3.5Å
725	S	84.4	Confident	87	Confident	40 Å²	40	43.1 Å²	43.1	28%	0.28	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.4	-177	68.4	0	0	0	0	114.4	R699 D723 T727	R699-S725 WeakPolarHBondContact CB-O 3.05Å; R699-S725 PolarHBondContact NH1-OG 3.31Å; R699-S725 PolarHBondContact NH2-OG 2.73Å; D723-S725 PolarHBondContact O-N 3.01Å; D723-S725 VanDerWaalsContact OD1-CB 3.26Å; D723-S725 WeakPolarHBondContact OD1-CB 3.17Å; D723-S725 PolarHBondContact OD1-N 3.39Å; D723-S725 PolarHBondContact OD1-OG 2.94Å; D723-S725 PolarHBondContact OD2-OG 3.15Å; D723-S725 VanDerWaalsContact OD2-OG 3.04Å; S725-T727 PolarHBondContact O-N 3.22Å
726	Y	89	Confident	85.7	Confident	44 Å²	44	41.1 Å²	41.1	17%	0.173	20%	0.204	C	C	.	.			trans	-80.4	111.9	173.8	-64.7	-74.8	0	0	0	111.1	R657 R699 L701 K719 D723 K724	R657-Y726 PolarHBondContact NH1-O 3.3Å; R699-Y726 HydrophobicContact CB-CD1 3.86Å; R699-Y726 HydrophobicContact CB-CE1 4.36Å; R699-Y726 PolarHBondContact NH2-OH 3.46Å; L701-Y726 HydrophobicContact CD1-CD1 3.86Å; L701-Y726 HydrophobicContact CD1-CD2 3.78Å; L701-Y726 HydrophobicContact CD1-CE1 4.14Å; L701-Y726 HydrophobicContact CD1-CE2 4.08Å; L701-Y726 HydrophobicContact CD1-CG 3.66Å; L701-Y726 HydrophobicContact CD2-CD1 4.19Å; L701-Y726 HydrophobicContact CD2-CE1 3.81Å; L701-Y726 HydrophobicContact CG-CD1 3.54Å; L701-Y726 HydrophobicContact CG-CD2 4.37Å; L701-Y726 HydrophobicContact CG-CE1 3.71Å; L701-Y726 HydrophobicContact CG-CG 3.9Å; K719-Y726 HydrophobicContact CB-CE2 4.49Å; D723-Y726 HydrophobicContact CB-CD2 3.87Å; D723-Y726 HydrophobicContact CB-CE2 4.01Å; D723-Y726 WeakPolarHBondContact OD2-CE2 3.25Å; K724-Y726 PolarHBondContact O-N 3.5Å
727	T	89.2	Confident	84.3	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.055	21%	0.21	C	C	.	.			trans	-96	-20.3	-175.7	58.6	0	0	0	0	113	L647 S655 R657 T658 H698 R699 S725	L647-T727 HydrophobicContact CD1-CG2 4.38Å; S655-T727 WeakPolarHBondContact OG-CG2 3.24Å; R657-T727 WeakPolarHBondContact CA-O 3.28Å; T658-T727 PolarHBondContact N-O 3.46Å; H698-T727 PolarHBondContact ND1-OG1 2.97Å; H698-T727 VanDerWaalsContact ND1-OG1 3.15Å; R699-T727 PolarHBondContact N-OG1 3.36Å; R699-T727 PolarHBondContact O-N 2.89Å; S725-T727 PolarHBondContact O-N 3.22Å
728	V	92.9	Very high	83.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.3	-179.1	-179.1	0	0	0	0	111.1	M640 T658 I660 I675 H698 R699 I700 L701 L730	M640-V728 HydrophobicContact SD-CG2 4.04Å; T658-V728 CarbonylContact O-C 3.54Å; T658-V728 WeakPolarHBondContact O-CA 3.38Å; I660-V728 HydrophobicContact CD1-CG1 3.62Å; I660-V728 HydrophobicContact CG1-CG1 4.07Å; I675-V728 HydrophobicContact CD1-CG1 4.37Å; I675-V728 HydrophobicContact CG2-CG2 4.41Å; H698-V728 HydrophobicContact CB-CG2 4.41Å; R699-V728 PolarHBondContact O-N 3.15Å; I700-V728 CarbonylContact C-O 3.59Å; I700-V728 WeakPolarHBondContact CA-O 3.43Å; I700-V728 HydrophobicContact CG1-CB 4.28Å; I700-V728 HydrophobicContact CG2-CG1 4.46Å; L701-V728 PolarHBondContact N-O 2.79Å; V728-L730 HydrophobicContact CG1-CD2 4.03Å
729	M	93.2	Very high	81.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	161.9	-176.3	180	-76.6	0	0	110.6	T658 L659 I660 L701 I716 F720 L731 I742	T658-M729 PolarHBondContact O-N 3.26Å; L659-M729 CarbonylContact C-O 3.3Å; L659-M729 WeakPolarHBondContact CA-O 3.39Å; L659-M729 HydrophobicContact CD2-CB 3.94Å; I660-M729 PolarHBondContact N-O 3.12Å; L701-M729 HydrophobicContact CB-CE 4.08Å; L701-M729 HydrophobicContact CB-CG 4.42Å; L701-M729 HydrophobicContact CD1-CE 4.42Å; L701-M729 CarbonylContact O-C 3.56Å; L701-M729 VanDerWaalsContact O-CA 3.25Å; L701-M729 WeakPolarHBondContact O-CA 3.47Å; I716-M729 HydrophobicContact CG2-CE 3.95Å; F720-M729 HydrophobicContact CB-CE 3.35Å; F720-M729 HydrophobicContact CD1-CE 4.15Å; F720-M729 HydrophobicContact CD2-CB 4.06Å; F720-M729 HydrophobicContact CD2-CE 4.01Å; F720-M729 HydrophobicContact CE2-CB 3.88Å; F720-M729 HydrophobicContact CG-CE 3.58Å; F720-M729 HydrophobicContact CZ-CB 4.2Å; M729-L731 HydrophobicContact CB-CD1 4.11Å; M729-L731 HydrophobicContact CG-CD1 3.64Å; M729-L731 HydrophobicContact CG-CG 4Å; M729-L731 HydrophobicContact SD-CD1 3.86Å; M729-L731 HydrophobicContact SD-CD2 4.01Å; M729-L731 HydrophobicContact SD-CG 3.97Å; M729-I742 HydrophobicContact SD-CD1 4.23Å
730	L	93.4	Very high	81.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.4	171.2	-55.3	-176.6	0	0	0	109.5	I660 L668 E672 I675 I700 L701 R702 L703 V728	I660-L730 HydrophobicContact CB-CD2 3.82Å; I660-L730 HydrophobicContact CD1-CD2 3.88Å; I660-L730 HydrophobicContact CG1-CD2 4.24Å; I660-L730 HydrophobicContact CG2-CD2 4.26Å; L668-L730 HydrophobicContact CD2-CB 4.34Å; E672-L730 HydrophobicContact CB-CD1 3.57Å; E672-L730 HydrophobicContact CG-CD1 3.84Å; I675-L730 HydrophobicContact CD1-CD2 4.4Å; I700-L730 HydrophobicContact CG2-CD1 3.97Å; I700-L730 HydrophobicContact CG2-CG 3.73Å; L701-L730 PolarHBondContact O-N 3.04Å; R702-L730 CarbonylContact C-O 3.59Å; R702-L730 WeakPolarHBondContact CA-O 3.3Å; R702-L730 HydrophobicContact CG-CB 4.5Å; L703-L730 PolarHBondContact N-O 3.17Å; V728-L730 HydrophobicContact CG1-CD2 4.03Å
731	L	91.8	Very high	80.7	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.9	176.8	-58.7	98.8	0	0	0	110.8	L659 I660 F661 S662 L703 M729 V735 I742	L659-L731 HydrophobicContact CB-CD1 3.97Å; L659-L731 HydrophobicContact CD2-CD1 4.04Å; L659-L731 HydrophobicContact CG-CD1 4.39Å; I660-L731 PolarHBondContact O-N 3.4Å; F661-L731 WeakPolarHBondContact CA-O 3.26Å; F661-L731 HydrophobicContact CD1-CB 3.7Å; F661-L731 HydrophobicContact CE1-CB 3.61Å; F661-L731 HydrophobicContact CE1-CD1 4.07Å; F661-L731 HydrophobicContact CE1-CD2 4.03Å; F661-L731 HydrophobicContact CE1-CG 4.12Å; F661-L731 HydrophobicContact CZ-CD1 4.18Å; F661-L731 HydrophobicContact CZ-CD2 4.45Å; S662-L731 PolarHBondContact N-O 2.87Å; L703-L731 HydrophobicContact CB-CD2 4.43Å; L703-L731 HydrophobicContact CB-CG 4.4Å; L703-L731 HydrophobicContact CD2-CD2 4.21Å; L703-L731 WeakPolarHBondContact O-CA 3.34Å; M729-L731 HydrophobicContact CB-CD1 4.11Å; M729-L731 HydrophobicContact CG-CD1 3.64Å; M729-L731 HydrophobicContact CG-CG 4Å; M729-L731 HydrophobicContact SD-CD1 3.86Å; M729-L731 HydrophobicContact SD-CD2 4.01Å; M729-L731 HydrophobicContact SD-CG 3.97Å; L731-V735 HydrophobicContact CD2-CG1 4.43Å; L731-I742 HydrophobicContact CD2-CD1 3.99Å
732	T	89.3	Confident	80.6	Confident	12 Å²	12	34.1 Å²	34.1	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.9	161.9	59.5	0	0	0	0	110	S662 I665 L668 L703 D704 Q734 V735 G736	S662-T732 CarbonylContact O-C 3.51Å; S662-T732 VanDerWaalsContact O-CA 3.25Å; S662-T732 WeakPolarHBondContact O-CA 3.29Å; I665-T732 HydrophobicContact CG1-CG2 3.99Å; L668-T732 HydrophobicContact CD1-CG2 3.83Å; L703-T732 PolarHBondContact O-N 3.15Å; D704-T732 HydrophobicContact CB-CG2 3.7Å; T732-Q734 PolarHBondContact O-N 3.08Å; T732-Q734 VanDerWaalsContact O-N 3.14Å; T732-V735 PolarHBondContact O-N 3.03Å; T732-V735 WeakPolarHBondContact OG1-CB 3.46Å; T732-V735 VanDerWaalsContact OG1-CG2 3.23Å; T732-V735 WeakPolarHBondContact OG1-CG2 3.35Å; T732-V735 PolarHBondContact OG1-N 2.77Å; T732-G736 PolarHBondContact O-N 3.4Å
733	T	82.4	Confident	80.5	Confident	4 Å²	4	29.1 Å²	29.1	3%	0.025	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.5	179.8	-40.5	0	0	0	0	111.8	S662 G736 V759 A763	S662-T733 PolarHBondContact O-N 2.87Å; S662-T733 PolarHBondContact O-OG1 3.41Å; T733-G736 VanDerWaalsContact O-CA 3.28Å; T733-G736 WeakPolarHBondContact O-CA 3.45Å; T733-G736 PolarHBondContact O-N 2.96Å; T733-V759 HydrophobicContact CG2-CG1 3.92Å; T733-A763 HydrophobicContact CG2-CB 4.17Å
734	Q	72.9	Confident	80.6	Confident	131 Å²	131	27.3 Å²	27.3	61%	0.612	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.1	174.1	-62.9	-169.4	8.4	0	0	113.6	T732 G736 G737	T732-Q734 PolarHBondContact O-N 3.08Å; T732-Q734 VanDerWaalsContact O-N 3.14Å; Q734-G736 PolarHBondContact O-N 2.89Å; Q734-G737 WeakPolarHBondContact O-CA 3.4Å; Q734-G737 PolarHBondContact O-N 3.3Å
735	V	70.3	Confident	80.9	Confident	13 Å²	13	21.3 Å²	21.3	8%	0.079	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24	168.6	168	0	0	0	0	110.9	L703 L731 T732 G737 V738 L740	L703-V735 HydrophobicContact CD2-CG1 3.66Å; L703-V735 HydrophobicContact CG-CG1 3.86Å; L731-V735 HydrophobicContact CD2-CG1 4.43Å; T732-V735 PolarHBondContact O-N 3.03Å; T732-V735 WeakPolarHBondContact OG1-CB 3.46Å; T732-V735 VanDerWaalsContact OG1-CG2 3.23Å; T732-V735 WeakPolarHBondContact OG1-CG2 3.35Å; T732-V735 PolarHBondContact OG1-N 2.77Å; V735-G737 PolarHBondContact O-N 2.9Å; V735-G737 VanDerWaalsContact O-N 3.16Å; V735-V738 HydrophobicContact CG1-CG2 4.39Å; V735-V738 VanDerWaalsContact O-CB 3.24Å; V735-V738 WeakPolarHBondContact O-CB 3.18Å; V735-V738 WeakPolarHBondContact O-CG2 3.43Å; V735-V738 PolarHBondContact O-N 3.45Å; V735-V738 VanDerWaalsContact O-N 3.09Å; V735-L740 HydrophobicContact CG1-CD1 4.13Å
736	G	58.4	Low	81.2	Confident	2 Å²	2	20 Å²	20	2%	0.021	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-55.6	-22.3	162.3	0	0	0	0	0	114	T732 T733 Q734 R766	T732-G736 PolarHBondContact O-N 3.4Å; T733-G736 VanDerWaalsContact O-CA 3.28Å; T733-G736 WeakPolarHBondContact O-CA 3.45Å; T733-G736 PolarHBondContact O-N 2.96Å; Q734-G736 PolarHBondContact O-N 2.89Å; G736-R766 PolarHBondContact O-NE 2.94Å; G736-R766 PolarHBondContact O-NH2 3.3Å
737	G	57.6	Low	81.4	Confident	24 Å²	24	19.8 Å²	19.8	25%	0.247	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-77.2	-15	174.7	0	0	0	0	0	115.5	Q734 V735 G739	Q734-G737 WeakPolarHBondContact O-CA 3.4Å; Q734-G737 PolarHBondContact O-N 3.3Å; V735-G737 PolarHBondContact O-N 2.9Å; V735-G737 VanDerWaalsContact O-N 3.16Å; G737-G739 VanDerWaalsContact C-N 3.28Å; G737-G739 PolarHBondContact O-N 2.95Å; G737-G739 VanDerWaalsContact O-N 3.11Å
738	V	61.6	Low	81.6	Confident	23 Å²	23	19.3 Å²	19.3	14%	0.139	11%	0.113	C	C	.	.	S	Bend	trans	-66.7	-17.6	-163.8	158.1	0	0	0	0	115.5	S306 V735 L740	S306-V738 PolarHBondContact OG-O 3.04Å; V735-V738 HydrophobicContact CG1-CG2 4.39Å; V735-V738 VanDerWaalsContact O-CB 3.24Å; V735-V738 WeakPolarHBondContact O-CB 3.18Å; V735-V738 WeakPolarHBondContact O-CG2 3.43Å; V735-V738 PolarHBondContact O-N 3.45Å; V735-V738 VanDerWaalsContact O-N 3.09Å; V738-L740 HydrophobicContact CB-CD1 4.36Å; V738-L740 HydrophobicContact CB-CD2 4.38Å; V738-L740 HydrophobicContact CB-CG 4Å; V738-L740 HydrophobicContact CG1-CD1 4.12Å; V738-L740 HydrophobicContact CG1-CD2 3.44Å; V738-L740 VanDerWaalsContact CG1-CD2 3.44Å; V738-L740 HydrophobicContact CG1-CG 3.6Å
739	G	62.2	Low	81.7	Confident	17 Å²	17	19.3 Å²	19.3	18%	0.175	11%	0.113	C	C	.	.			trans	108	0.1	-178	0	0	0	0	0	115.2	G737 R766 R769	G737-G739 VanDerWaalsContact C-N 3.28Å; G737-G739 PolarHBondContact O-N 2.95Å; G737-G739 VanDerWaalsContact O-N 3.11Å; G739-R766 VanDerWaalsContact C-NH1 3.25Å; G739-R766 PolarHBondContact O-NH1 3.34Å; G739-R769 PolarHBondContact O-NH1 3.09Å
740	L	74.2	Confident	81.7	Confident	22 Å²	22	19.4 Å²	19.4	12%	0.115	11%	0.113	C	C	.	.			trans	-60.8	163.9	-168.2	-54.7	179.1	0	0	0	115.5	L703 I717 V735 V738 I742 R766 R769	L703-L740 HydrophobicContact CD2-CD1 3.76Å; I717-L740 HydrophobicContact CD1-CD1 3.65Å; I717-L740 HydrophobicContact CD1-CD2 3.5Å; I717-L740 HydrophobicContact CD1-CG 4.05Å; V735-L740 HydrophobicContact CG1-CD1 4.13Å; V738-L740 HydrophobicContact CB-CD1 4.36Å; V738-L740 HydrophobicContact CB-CD2 4.38Å; V738-L740 HydrophobicContact CB-CG 4Å; V738-L740 HydrophobicContact CG1-CD1 4.12Å; V738-L740 HydrophobicContact CG1-CD2 3.44Å; V738-L740 VanDerWaalsContact CG1-CD2 3.44Å; V738-L740 HydrophobicContact CG1-CG 3.6Å; L740-I742 HydrophobicContact CB-CG1 4.49Å; L740-R766 WeakPolarHBondContact O-CD 3.12Å; L740-R766 PolarHBondContact O-NH1 3.01Å; L740-R769 PolarHBondContact O-NH1 3.06Å
741	T	82	Confident	81.7	Confident	52 Å²	52	19.4 Å²	19.4	32%	0.319	11%	0.113	S	C	.	.			trans	-132.5	123.6	172.6	-58	0	0	0	0	108.1	Q721 T743 R769	Q721-T741 PolarHBondContact NE2-O 2.73Å; T741-T743 HydrophobicContact CG2-CG2 3.85Å; T741-R769 WeakPolarHBondContact OG1-CD 3.17Å; T741-R769 PolarHBondContact OG1-NH1 2.85Å
742	I	86.2	Confident	81.6	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.005	11%	0.113	C	C	.	.			trans	-137.3	56.7	-176	-41.3	179.8	0	0	0	109	L659 F720 M729 L731 L740 S744 A745 R766	L659-I742 HydrophobicContact CD1-CB 4.36Å; L659-I742 HydrophobicContact CD1-CD1 4.31Å; L659-I742 HydrophobicContact CD2-CG2 4.08Å; F720-I742 HydrophobicContact CD1-CG2 3.56Å; F720-I742 HydrophobicContact CE1-CG2 3.79Å; M729-I742 HydrophobicContact SD-CD1 4.23Å; L731-I742 HydrophobicContact CD2-CD1 3.99Å; L740-I742 HydrophobicContact CB-CG1 4.49Å; I742-S744 PolarHBondContact O-N 3.06Å; I742-S744 VanDerWaalsContact O-N 3.14Å; I742-A745 PolarHBondContact O-N 3.31Å; I742-A745 VanDerWaalsContact O-N 3.11Å; I742-R766 CarbonylContact C-O 3.57Å; I742-R766 PolarHBondContact N-O 2.75Å
743	T	87	Confident	81.5	Confident	29 Å²	29	18.9 Å²	18.9	18%	0.178	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-4.1	-177.2	46.9	0	0	0	0	114.3	T741 A745 R769 Q772	T741-T743 HydrophobicContact CG2-CG2 3.85Å; T743-A745 VanDerWaalsContact C-N 3.31Å; T743-R769 HydrophobicContact CG2-CB 4.31Å; T743-Q772 HydrophobicContact CG2-CB 4.12Å; T743-Q772 PolarHBondContact O-NE2 3Å; T743-Q772 VanDerWaalsContact O-NE2 3.12Å; T743-Q772 PolarHBondContact O-OE1 3.37Å
744	S	89.7	Confident	81.5	Confident	22 Å²	22	19.2 Å²	19.2	15%	0.154	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.2	168.1	60.4	0	0	0	0	112.9	R657 F720 I742	R657-S744 WeakPolarHBondContact CB-O 3.31Å; R657-S744 WeakPolarHBondContact CD-O 3.24Å; F720-S744 VanDerWaalsContact CD1-OG 3.26Å; F720-S744 WeakPolarHBondContact CD1-OG 3.25Å; F720-S744 WeakPolarHBondContact CE1-OG 3.44Å; F720-S744 PolarHBondContact O-OG 2.84Å; I742-S744 PolarHBondContact O-N 3.06Å; I742-S744 VanDerWaalsContact O-N 3.14Å
745	A	91.4	Very high	81.6	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.			trans	-78.1	137.5	176	0	0	0	0	0	112.1	R657 L659 F720 I742 T743 A767 Q772	R657-A745 WeakPolarHBondContact O-CA 3.48Å; L659-A745 HydrophobicContact CD1-CB 3.97Å; L659-A745 HydrophobicContact CD2-CB 3.72Å; L659-A745 HydrophobicContact CG-CB 3.53Å; F720-A745 HydrophobicContact CE1-CB 4.15Å; I742-A745 PolarHBondContact O-N 3.31Å; I742-A745 VanDerWaalsContact O-N 3.11Å; T743-A745 VanDerWaalsContact C-N 3.31Å; A745-A767 HydrophobicContact CB-CB 4.12Å; A745-Q772 PolarHBondContact O-NE2 2.88Å
746	N	91.1	Very high	81.7	Confident	13 Å²	13	16.6 Å²	16.6	7%	0.07	10%	0.098	C	C	.	.			trans	-120.3	-1.4	173	63.8	-5.7	0	0	0	112.8	P656 R657 L774 V776 V777	P656-N746 WeakPolarHBondContact CA-OD1 3.23Å; R657-N746 PolarHBondContact N-OD1 3.47Å; R657-N746 PolarHBondContact O-N 3.1Å; R657-N746 PolarHBondContact O-OD1 2.93Å; N746-L774 HydrophobicContact CB-CB 3.89Å; N746-L774 HydrophobicContact CB-CD1 4.07Å; N746-V776 WeakPolarHBondContact O-CA 3.19Å; N746-V777 PolarHBondContact O-N 3.37Å; N746-V777 VanDerWaalsContact O-N 3.16Å
747	R	92.7	Very high	82.6	Confident	38 Å²	38	16.6 Å²	16.6	14%	0.143	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.1	175.3	-60.6	-61.2	176.8	-105.3	8.3	110	F643 P656 R657 T658 L659 D775 V777 Y779	F643-R747 HydrophobicContact CE2-CB 4.41Å; F643-R747 HydrophobicContact CE2-CG 4.1Å; F643-R747 HydrophobicContact CZ-CG 4.02Å; P656-R747 HydrophobicContact CB-CG 4Å; R657-R747 PolarHBondContact O-N 2.68Å; R657-R747 VanDerWaalsContact O-N 3.12Å; T658-R747 CarbonylContact C-O 3.51Å; T658-R747 WeakPolarHBondContact CA-O 3.42Å; T658-R747 HydrophobicContact CG2-CB 4.03Å; L659-R747 PolarHBondContact N-O 3.31Å; R747-D775 PolarHBondContact NH1-O 3.05Å; R747-D775 VanDerWaalsContact NH1-O 3.08Å; R747-V777 WeakPolarHBondContact CA-O 3.49Å; R747-Y779 HydrophobicContact CB-CE2 4.23Å; R747-Y779 WeakPolarHBondContact CD-OH 3.49Å; R747-Y779 HydrophobicContact CG-CE2 4.46Å
748	V	93.6	Very high	83.4	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.2	177.3	179.7	0	0	0	0	109.3	L659 F661 V764 A767 V776 V777 V778 Y779	L659-V748 HydrophobicContact CB-CG2 4.47Å; L659-V748 CarbonylContact O-C 3.6Å; L659-V748 WeakPolarHBondContact O-CA 3.18Å; F661-V748 HydrophobicContact CD2-CG1 3.73Å; F661-V748 HydrophobicContact CE2-CG1 3.73Å; V748-V764 HydrophobicContact CG1-CG2 4.31Å; V748-A767 HydrophobicContact CG2-CB 3.77Å; V748-V776 HydrophobicContact CG2-CG1 4.32Å; V748-V777 PolarHBondContact N-O 2.87Å; V748-V778 HydrophobicContact CB-CG1 4.26Å; V748-V778 HydrophobicContact CB-CG2 4.27Å; V748-V778 HydrophobicContact CG1-CG1 4.26Å; V748-V778 CarbonylContact O-C 3.56Å; V748-V778 VanDerWaalsContact O-CA 3.31Å; V748-V778 WeakPolarHBondContact O-CA 3.42Å; V748-Y779 WeakPolarHBondContact O-CD2 3.47Å; V748-Y779 PolarHBondContact O-N 3.34Å
749	I	94.6	Very high	84.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.4	174.4	-58.5	173.7	0	0	0	108.4	L636 L639 M640 T658 L659 I660 F661 L751 Y779	L636-I749 HydrophobicContact CD1-CD1 3.82Å; L639-I749 HydrophobicContact CD2-CD1 3.82Å; L639-I749 HydrophobicContact CD2-CG1 4.44Å; M640-I749 HydrophobicContact CE-CD1 3.67Å; T658-I749 HydrophobicContact CG2-CD1 3.74Å; T658-I749 HydrophobicContact CG2-CG1 3.91Å; L659-I749 PolarHBondContact O-N 2.98Å; I660-I749 WeakPolarHBondContact CA-O 3.42Å; I660-I749 HydrophobicContact CD1-CD1 4.44Å; I660-I749 HydrophobicContact CG1-CB 4.34Å; I660-I749 HydrophobicContact CG1-CD1 4.29Å; I660-I749 HydrophobicContact CG2-CB 4.49Å; F661-I749 PolarHBondContact N-O 2.55Å; I749-L751 HydrophobicContact CG2-CD2 3.71Å; I749-L751 HydrophobicContact CG2-CG 4.29Å; I749-Y779 WeakPolarHBondContact CA-O 3.43Å; I749-Y779 HydrophobicContact CG1-CD2 3.73Å; I749-Y779 HydrophobicContact CG1-CG 4.38Å
750	I	93.2	Very high	85.4	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.1	167.4	-59.9	167.8	0	0	0	106.1	D760 V764 V778 Y779 L781	I750-D760 HydrophobicContact CD1-CB 4.1Å; I750-V764 HydrophobicContact CD1-CG2 4.14Å; I750-V778 HydrophobicContact CD1-CG1 4.2Å; I750-Y779 PolarHBondContact N-O 3.33Å; I750-L781 PolarHBondContact O-N 3.27Å; I750-L781 VanDerWaalsContact O-N 3.14Å
751	L	93.2	Very high	85.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-73.6	-38.9	-179.4	-65.5	178.9	0	0	0	111.7	K632 L636 I660 F661 F667 A671 I749 L781	K632-L751 WeakPolarHBondContact CD-O 3.04Å; K632-L751 PolarHBondContact NZ-O 2.91Å; L636-L751 HydrophobicContact CD1-CD2 4.43Å; L636-L751 HydrophobicContact CD2-CD2 4.2Å; I660-L751 HydrophobicContact CG2-CD1 3.56Å; I660-L751 HydrophobicContact CG2-CD2 4.2Å; I660-L751 HydrophobicContact CG2-CG 3.69Å; F661-L751 PolarHBondContact O-N 3.22Å; F667-L751 HydrophobicContact CD1-CB 4.3Å; F667-L751 HydrophobicContact CD1-CD1 4.38Å; F667-L751 HydrophobicContact CE1-CB 3.77Å; F667-L751 HydrophobicContact CE1-CD1 4.28Å; A671-L751 HydrophobicContact CB-CD1 4.4Å; I749-L751 HydrophobicContact CG2-CD2 3.71Å; I749-L751 HydrophobicContact CG2-CG 4.29Å; L751-L781 HydrophobicContact CD2-CD1 3.82Å
752	D	90.3	Very high	85.7	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.011	8%	0.081	C	C	.	.	S	Bend	trans	-137	116.6	-178.7	74.6	-84.1	0	0	0	110.8	K577 D581 S662 Q663	K577-D752 VanDerWaalsContact CE-OD2 3.31Å; K577-D752 WeakPolarHBondContact CE-OD2 3.31Å; K577-D752 IonicContact NZ-OD2 2.72Å; K577-D752 PolarHBondContact NZ-OD2 2.97Å; D581-D752 VanDerWaalsContact OD1-CB 3.23Å; D581-D752 WeakPolarHBondContact OD1-CB 3.39Å; S662-D752 WeakPolarHBondContact CA-OD1 3.3Å; S662-D752 WeakPolarHBondContact CB-OD1 3.31Å; S662-D752 PolarHBondContact OG-OD1 3.06Å; Q663-D752 VanDerWaalsContact CB-OD2 3.23Å; Q663-D752 WeakPolarHBondContact CB-OD2 3.5Å; Q663-D752 VanDerWaalsContact CG-OD2 3.25Å; Q663-D752 WeakPolarHBondContact CG-OD2 3.49Å; Q663-D752 PolarHBondContact N-OD1 3.19Å; Q663-D752 PolarHBondContact N-OD2 3.16Å; Q663-D752 PolarHBondContact NE2-O 3.14Å; Q663-D752 PolarHBondContact NE2-OD2 2.88Å
753	P	86.6	Confident	85.7	Confident	1 Å²	1	15 Å²	15	1%	0.006	8%	0.081	C	C	.	.			trans	-70.8	151.2	-175.9	27.8	-33.9	0	0	0	112.4	K577 Q663 E788	K577-P753 PolarHBondContact NZ-O 2.9Å; Q663-P753 PolarHBondContact NE2-O 2.7Å; P753-E788 WeakPolarHBondContact CD-OE1 3.38Å
754	S	83.5	Confident	85.7	Confident	12 Å²	12	13.7 Å²	13.7	8%	0.084	7%	0.073	C	C	.	.			trans	-77.6	156.3	176.9	176.5	0	0	0	0	112.1	Q663 N756 D760 Q795	Q663-S754 VanDerWaalsContact NE2-CA 3.34Å; S754-N756 WeakPolarHBondContact CB-O 3.36Å; S754-N756 PolarHBondContact O-N 2.9Å; S754-N756 PolarHBondContact OG-N 2.77Å; S754-N756 PolarHBondContact OG-O 3.49Å; S754-D760 WeakPolarHBondContact CB-OD1 3.07Å; S754-D760 PolarHBondContact N-OD1 3.4Å; S754-D760 VanDerWaalsContact N-OD1 3.15Å; S754-D760 PolarHBondContact N-OD2 3.09Å; S754-D760 VanDerWaalsContact N-OD2 3.15Å; S754-Q795 PolarHBondContact O-NE2 2.79Å
755	W	73.9	Confident	85.5	Confident	65 Å²	65	13.6 Å²	13.6	25%	0.246	7%	0.071	C	C	.	.	S	Bend	trans	-67.1	-12.4	164.6	-74.9	90.2	0	0	0	113	L573 I791	L573-W755 HydrophobicContact CB-CZ2 4.34Å; L573-W755 HydrophobicContact CD1-CH2 4.22Å; L573-W755 HydrophobicContact CD1-CZ2 4.48Å; L573-W755 HydrophobicContact CD2-CH2 4.41Å; W755-I791 HydrophobicContact CD2-CD1 4.23Å; W755-I791 HydrophobicContact CD2-CG1 4.09Å; W755-I791 HydrophobicContact CD2-CG2 4.49Å; W755-I791 HydrophobicContact CE3-CG1 3.97Å; W755-I791 HydrophobicContact CH2-CD1 3.99Å; W755-I791 HydrophobicContact CH2-CG1 3.66Å; W755-I791 HydrophobicContact CZ2-CD1 3.58Å; W755-I791 HydrophobicContact CZ2-CG1 3.78Å; W755-I791 HydrophobicContact CZ3-CD1 4.47Å; W755-I791 HydrophobicContact CZ3-CG1 3.76Å
756	N	72	Confident	85.1	Confident	24 Å²	24	14.1 Å²	14.1	13%	0.128	7%	0.073	C	C	.	.	S	Bend	trans	-126.7	111.3	-179.6	179.6	5.6	0	0	0	109.9	Q439 S754 A758 V759	Q439-N756 PolarHBondContact OE1-ND2 3.1Å; S754-N756 WeakPolarHBondContact CB-O 3.36Å; S754-N756 PolarHBondContact O-N 2.9Å; S754-N756 PolarHBondContact OG-N 2.77Å; S754-N756 PolarHBondContact OG-O 3.49Å; N756-A758 PolarHBondContact O-N 2.93Å; N756-A758 VanDerWaalsContact OD1-CB 3.32Å; N756-A758 WeakPolarHBondContact OD1-CB 3.37Å; N756-A758 PolarHBondContact OD1-N 3.25Å; N756-V759 HydrophobicContact CB-CG2 4.1Å; N756-V759 PolarHBondContact O-N 2.62Å; N756-V759 VanDerWaalsContact O-N 3.12Å
757	P	77.5	Confident	84.9	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-34.5	-175.2	22.8	-32.5	0	0	0	112.9	V759 D760 S761 Q795 D799	P757-V759 PolarHBondContact O-N 3.09Å; P757-D760 WeakPolarHBondContact O-CA 3.28Å; P757-D760 WeakPolarHBondContact O-CB 3.21Å; P757-D760 PolarHBondContact O-N 2.7Å; P757-S761 PolarHBondContact O-N 2.97Å; P757-S761 PolarHBondContact O-OG 2.93Å; P757-Q795 HydrophobicContact CB-CB 4.03Å; P757-Q795 HydrophobicContact CB-CG 4.24Å; P757-Q795 HydrophobicContact CG-CB 4.21Å; P757-D799 VanDerWaalsContact CB-OD2 3.3Å; P757-D799 WeakPolarHBondContact CB-OD2 3.28Å; P757-D799 WeakPolarHBondContact CG-OD1 3.42Å
758	A	75.4	Confident	84.6	Confident	9 Å²	9	13.1 Å²	13.1	7%	0.074	7%	0.068	C	C	.	.	H	α-helix	trans	-50.7	-32	176.5	0	0	0	0	0	114	T436 Q439 N756 Q762	T436-A758 HydrophobicContact CG2-CB 3.84Å; Q439-A758 HydrophobicContact CG-CB 4.42Å; N756-A758 PolarHBondContact O-N 2.93Å; N756-A758 VanDerWaalsContact OD1-CB 3.32Å; N756-A758 WeakPolarHBondContact OD1-CB 3.37Å; N756-A758 PolarHBondContact OD1-N 3.25Å; A758-Q762 WeakPolarHBondContact O-CB 3.2Å; A758-Q762 PolarHBondContact O-N 3.11Å
759	V	80.1	Confident	84	Confident	45 Å²	45	16.1 Å²	16.1	27%	0.273	8%	0.079	S	C	.	.	H	α-helix	trans	-74.8	-39.6	178.6	-177.8	0	0	0	0	111	T733 N756 P757 Q762 A763	T733-V759 HydrophobicContact CG2-CG1 3.92Å; N756-V759 HydrophobicContact CB-CG2 4.1Å; N756-V759 PolarHBondContact O-N 2.62Å; N756-V759 VanDerWaalsContact O-N 3.12Å; P757-V759 PolarHBondContact O-N 3.09Å; V759-Q762 PolarHBondContact O-N 3.45Å; V759-A763 PolarHBondContact O-N 3.42Å; V759-A763 VanDerWaalsContact O-N 3.12Å
760	D	84.6	Confident	83.2	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.9	-44.7	176.8	-64.7	-9.3	0	0	0	110.3	I750 S754 P757 Q762 A763 V764 R780 Q795	I750-D760 HydrophobicContact CD1-CB 4.1Å; S754-D760 WeakPolarHBondContact CB-OD1 3.07Å; S754-D760 PolarHBondContact N-OD1 3.4Å; S754-D760 VanDerWaalsContact N-OD1 3.15Å; S754-D760 PolarHBondContact N-OD2 3.09Å; S754-D760 VanDerWaalsContact N-OD2 3.15Å; P757-D760 WeakPolarHBondContact O-CA 3.28Å; P757-D760 WeakPolarHBondContact O-CB 3.21Å; P757-D760 PolarHBondContact O-N 2.7Å; D760-Q762 VanDerWaalsContact C-N 3.3Å; D760-Q762 PolarHBondContact O-N 3.38Å; D760-A763 WeakPolarHBondContact O-CB 3.42Å; D760-A763 PolarHBondContact O-N 3.47Å; D760-A763 VanDerWaalsContact O-N 3.11Å; D760-V764 WeakPolarHBondContact O-CG2 3.32Å; D760-V764 PolarHBondContact O-N 2.93Å; D760-R780 IonicContact OD2-CZ 3.47Å; D760-R780 IonicContact OD2-NH1 3.61Å; D760-R780 PolarHBondContact OD2-NH1 3.47Å; D760-Q795 PolarHBondContact OD2-NE2 3.27Å
761	S	81.5	Confident	82.5	Confident	32 Å²	32	20.7 Å²	20.7	22%	0.224	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-39.5	173.3	-48.8	0	0	0	0	111.7	P757 A763 V764 D765	P757-S761 PolarHBondContact O-N 2.97Å; P757-S761 PolarHBondContact O-OG 2.93Å; S761-A763 VanDerWaalsContact C-N 3.27Å; S761-A763 PolarHBondContact O-N 3.22Å; S761-V764 PolarHBondContact O-N 2.81Å; S761-D765 WeakPolarHBondContact O-CB 3.32Å; S761-D765 PolarHBondContact O-N 2.82Å
762	Q	82.6	Confident	82.2	Confident	21 Å²	21	21.1 Å²	21.1	10%	0.098	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-27	176.1	-177.3	167.3	67.2	0	0	113	M274 E407 A758 V759 D760 R766	M274-Q762 HydrophobicContact CE-CB 3.8Å; M274-Q762 HydrophobicContact CE-CG 4.31Å; M274-Q762 HydrophobicContact SD-CB 3.88Å; M274-Q762 HydrophobicContact SD-CG 3.71Å; E407-Q762 PolarHBondContact OE1-NE2 3.16Å; E407-Q762 VanDerWaalsContact OE1-NE2 3.12Å; A758-Q762 WeakPolarHBondContact O-CB 3.2Å; A758-Q762 PolarHBondContact O-N 3.11Å; V759-Q762 PolarHBondContact O-N 3.45Å; D760-Q762 VanDerWaalsContact C-N 3.3Å; D760-Q762 PolarHBondContact O-N 3.38Å; Q762-R766 VanDerWaalsContact CG-NH2 3.26Å; Q762-R766 WeakPolarHBondContact O-CG 3.36Å; Q762-R766 PolarHBondContact O-NE 3.11Å; Q762-R766 VanDerWaalsContact O-NE 3.16Å
763	A	84.9	Confident	81.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-76	-44.9	171.6	0	0	0	0	0	112	F661 T733 V759 D760 S761 D765 R766	F661-A763 HydrophobicContact CD1-CB 3.91Å; F661-A763 HydrophobicContact CD2-CB 4.04Å; F661-A763 HydrophobicContact CE1-CB 3.84Å; F661-A763 HydrophobicContact CE2-CB 3.97Å; F661-A763 HydrophobicContact CG-CB 4.01Å; F661-A763 HydrophobicContact CZ-CB 3.87Å; F661-A763 WeakPolarHBondContact CZ-O 3.45Å; T733-A763 HydrophobicContact CG2-CB 4.17Å; V759-A763 PolarHBondContact O-N 3.42Å; V759-A763 VanDerWaalsContact O-N 3.12Å; D760-A763 WeakPolarHBondContact O-CB 3.42Å; D760-A763 PolarHBondContact O-N 3.47Å; D760-A763 VanDerWaalsContact O-N 3.11Å; S761-A763 VanDerWaalsContact C-N 3.27Å; S761-A763 PolarHBondContact O-N 3.22Å; A763-D765 VanDerWaalsContact C-N 3.35Å; A763-D765 PolarHBondContact O-N 3Å; A763-R766 WeakPolarHBondContact O-CB 3.41Å; A763-R766 WeakPolarHBondContact O-CG 3.45Å; A763-R766 PolarHBondContact O-N 2.72Å
764	V	87.5	Confident	81.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-43.9	175.6	169.3	0	0	0	0	112	K531 V748 I750 D760 S761 R766 A767 Y768 V778	K531-V764 HydrophobicContact CD-CG1 4.3Å; V748-V764 HydrophobicContact CG1-CG2 4.31Å; I750-V764 HydrophobicContact CD1-CG2 4.14Å; D760-V764 WeakPolarHBondContact O-CG2 3.32Å; D760-V764 PolarHBondContact O-N 2.93Å; S761-V764 PolarHBondContact O-N 2.81Å; V764-R766 PolarHBondContact O-N 3.17Å; V764-A767 PolarHBondContact O-N 2.98Å; V764-Y768 PolarHBondContact O-N 2.74Å; V764-Y768 VanDerWaalsContact O-N 3.11Å; V764-V778 HydrophobicContact CG1-CG2 3.68Å; V764-V778 HydrophobicContact CG2-CG1 3.7Å; V764-V778 HydrophobicContact CG2-CG2 4.02Å
765	D	84.7	Confident	82	Confident	20 Å²	20	34.1 Å²	34.1	11%	0.107	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-2.5	-178.9	-85.8	-7	0	0	0	114.5	M274 K508 S761 A763	M274-D765 HydrophobicContact CB-CB 4.16Å; M274-D765 WeakPolarHBondContact CB-OD2 3.47Å; K508-D765 IonicContact NZ-OD1 2.95Å; K508-D765 PolarHBondContact NZ-OD1 2.72Å; K508-D765 IonicContact NZ-OD2 3.07Å; K508-D765 PolarHBondContact NZ-OD2 3.03Å; S761-D765 WeakPolarHBondContact O-CB 3.32Å; S761-D765 PolarHBondContact O-N 2.82Å; A763-D765 VanDerWaalsContact C-N 3.35Å; A763-D765 PolarHBondContact O-N 3Å
766	R	83.3	Confident	82.7	Confident	10 Å²	10	31 Å²	31	4%	0.038	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-33.3	168.3	-53.7	-56	170.3	-164	1.5	112.7	G736 G739 L740 I742 Q762 A763 V764	G736-R766 PolarHBondContact O-NE 2.94Å; G736-R766 PolarHBondContact O-NH2 3.3Å; G739-R766 VanDerWaalsContact C-NH1 3.25Å; G739-R766 PolarHBondContact O-NH1 3.34Å; L740-R766 WeakPolarHBondContact O-CD 3.12Å; L740-R766 PolarHBondContact O-NH1 3.01Å; I742-R766 CarbonylContact C-O 3.57Å; I742-R766 PolarHBondContact N-O 2.75Å; Q762-R766 VanDerWaalsContact CG-NH2 3.26Å; Q762-R766 WeakPolarHBondContact O-CG 3.36Å; Q762-R766 PolarHBondContact O-NE 3.11Å; Q762-R766 VanDerWaalsContact O-NE 3.16Å; A763-R766 WeakPolarHBondContact O-CB 3.41Å; A763-R766 WeakPolarHBondContact O-CG 3.45Å; A763-R766 PolarHBondContact O-N 2.72Å; V764-R766 PolarHBondContact O-N 3.17Å
767	A	86.8	Confident	83.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-39	170.2	0	0	0	0	0	111.5	L659 A745 V748 V764 R769 Q772 V776	L659-A767 HydrophobicContact CD1-CB 4.13Å; A745-A767 HydrophobicContact CB-CB 4.12Å; V748-A767 HydrophobicContact CG2-CB 3.77Å; V764-A767 PolarHBondContact O-N 2.98Å; A767-R769 PolarHBondContact O-N 2.95Å; A767-Q772 PolarHBondContact O-NE2 2.93Å; A767-V776 HydrophobicContact CB-CG1 4.37Å
768	Y	86.5	Confident	84.3	Confident	30 Å²	30	30.2 Å²	30.2	12%	0.118	16%	0.161	C	C	.	.	S	Bend	trans	-93.2	65.4	-175.4	-165.4	-110.9	0	0	0	113.2	K508 M528 P529 K531 V764 V776	K508-Y768 HydrophobicContact CD-CD1 4.03Å; K508-Y768 HydrophobicContact CD-CE1 3.86Å; K508-Y768 PolarHBondContact NZ-O 3.31Å; M528-Y768 HydrophobicContact CE-CD1 4.15Å; M528-Y768 HydrophobicContact CE-CD2 3.53Å; M528-Y768 HydrophobicContact CE-CE1 4.01Å; M528-Y768 HydrophobicContact CE-CE2 3.36Å; M528-Y768 HydrophobicContact CE-CG 3.92Å; M528-Y768 HydrophobicContact CG-CE2 4.11Å; M528-Y768 WeakPolarHBondContact CG-OH 3.23Å; P529-Y768 VanDerWaalsContact O-CE2 3.28Å; P529-Y768 WeakPolarHBondContact O-CE2 3.35Å; P529-Y768 PolarHBondContact O-OH 2.83Å; K531-Y768 HydrophobicContact CB-CD1 4.15Å; K531-Y768 HydrophobicContact CB-CD2 3.95Å; K531-Y768 HydrophobicContact CB-CE1 3.92Å; K531-Y768 HydrophobicContact CB-CE2 3.7Å; K531-Y768 HydrophobicContact CB-CG 4.18Å; K531-Y768 HydrophobicContact CD-CD1 4.2Å; K531-Y768 HydrophobicContact CD-CE1 4.48Å; K531-Y768 HydrophobicContact CG-CD1 4.35Å; K531-Y768 HydrophobicContact CG-CD2 4.41Å; K531-Y768 HydrophobicContact CG-CG 4.28Å; V764-Y768 PolarHBondContact O-N 2.74Å; V764-Y768 VanDerWaalsContact O-N 3.11Å; Y768-V776 HydrophobicContact CD2-CB 4.19Å; Y768-V776 HydrophobicContact CD2-CG2 3.99Å
769	R	81.1	Confident	85.2	Confident	63 Å²	63	29.8 Å²	29.8	24%	0.238	16%	0.157	C	C	.	.	S	Bend	trans	-123.8	157.8	-177.8	-152.4	172.2	177.9	165.4	0.2	111.3	G739 L740 T741 T743 A767 G771 Q772	G739-R769 PolarHBondContact O-NH1 3.09Å; L740-R769 PolarHBondContact O-NH1 3.06Å; T741-R769 WeakPolarHBondContact OG1-CD 3.17Å; T741-R769 PolarHBondContact OG1-NH1 2.85Å; T743-R769 HydrophobicContact CG2-CB 4.31Å; A767-R769 PolarHBondContact O-N 2.95Å; R769-G771 PolarHBondContact O-N 2.67Å; R769-Q772 WeakPolarHBondContact O-CB 3.49Å; R769-Q772 PolarHBondContact O-N 2.82Å
770	I	77.1	Confident	85.8	Confident	54 Å²	54	27.7 Å²	27.7	28%	0.277	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	130.9	176.7	-60.3	-179.9	0	0	0	109.5	G275	G275-I770 WeakPolarHBondContact O-CD1 3.41Å
771	G	80.1	Confident	86.2	Confident	45 Å²	45	27.7 Å²	27.7	46%	0.464	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-5.4	-170.1	0	0	0	0	0	114.6	R769	R769-G771 PolarHBondContact O-N 2.67Å
772	Q	85.3	Confident	86.7	Confident	9 Å²	9	26.2 Å²	26.2	4%	0.042	13%	0.134	C	C	.	.			trans	-65.8	137.9	162.6	-179.9	53.9	-94.9	0	0	110	M528 P529 T743 A745 A767 R769 L774 V776	M528-Q772 HydrophobicContact CE-CB 3.96Å; P529-Q772 WeakPolarHBondContact CD-O 3.46Å; P529-Q772 HydrophobicContact CG-CB 4.3Å; P529-Q772 HydrophobicContact CG-CG 3.74Å; T743-Q772 HydrophobicContact CG2-CB 4.12Å; T743-Q772 PolarHBondContact O-NE2 3Å; T743-Q772 VanDerWaalsContact O-NE2 3.12Å; T743-Q772 PolarHBondContact O-OE1 3.37Å; A745-Q772 PolarHBondContact O-NE2 2.88Å; A767-Q772 PolarHBondContact O-NE2 2.93Å; R769-Q772 WeakPolarHBondContact O-CB 3.49Å; R769-Q772 PolarHBondContact O-N 2.82Å; Q772-L774 PolarHBondContact OE1-O 3.03Å; Q772-V776 HydrophobicContact CG-CG2 3.76Å
773	K	84	Confident	87.1	Confident	159 Å²	159	25.2 Å²	25.2	69%	0.691	13%	0.129	S	C	*	.			trans	-122.4	-9.7	-175.8	-64.2	-171.8	175.5	-171.5	0	114.3
774	L	86	Confident	87.3	Confident	74 Å²	74	25.2 Å²	25.2	39%	0.387	13%	0.129	S	C	.	.	S	Bend	trans	-117.5	147.4	-177	-58.2	177.2	0	0	0	110.5	P529 N746 Q772 V776	P529-L774 WeakPolarHBondContact CB-O 3.3Å; P529-L774 WeakPolarHBondContact CG-O 3.25Å; N746-L774 HydrophobicContact CB-CB 3.89Å; N746-L774 HydrophobicContact CB-CD1 4.07Å; Q772-L774 PolarHBondContact OE1-O 3.03Å; L774-V776 WeakPolarHBondContact O-CG2 3.38Å; L774-V776 PolarHBondContact O-N 2.87Å
775	D	87.1	Confident	87.1	Confident	55 Å²	55	25.7 Å²	25.7	29%	0.294	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-61.5	122.5	173.3	-75.9	-9.9	0	0	0	110.2	P529 R530 R747	P529-D775 WeakPolarHBondContact CB-OD1 3.35Å; R530-D775 IonicContact CZ-OD2 3.81Å; R530-D775 VanDerWaalsContact CZ-OD2 3.24Å; R530-D775 PolarHBondContact N-OD1 2.88Å; R530-D775 IonicContact NE-OD1 2.78Å; R530-D775 IonicContact NE-OD2 2.68Å; R530-D775 PolarHBondContact NE-OD2 2.78Å; R530-D775 IonicContact NH2-OD2 3.65Å; R530-D775 PolarHBondContact NH2-OD2 2.99Å; R530-D775 CarbonylContact O-C 3.56Å; R530-D775 WeakPolarHBondContact O-CA 3.32Å; R747-D775 PolarHBondContact NH1-O 3.05Å; R747-D775 VanDerWaalsContact NH1-O 3.08Å
776	V	89.2	Confident	87.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.2	-174.3	-177.8	0	0	0	0	110	R530 K531 T532 N746 V748 A767 Y768 Q772 L774	R530-V776 PolarHBondContact O-N 3.12Å; K531-V776 WeakPolarHBondContact CA-O 3.25Å; T532-V776 PolarHBondContact N-O 2.56Å; N746-V776 WeakPolarHBondContact O-CA 3.19Å; V748-V776 HydrophobicContact CG2-CG1 4.32Å; A767-V776 HydrophobicContact CB-CG1 4.37Å; Y768-V776 HydrophobicContact CD2-CB 4.19Å; Y768-V776 HydrophobicContact CD2-CG2 3.99Å; Q772-V776 HydrophobicContact CG-CG2 3.76Å; L774-V776 WeakPolarHBondContact O-CG2 3.38Å; L774-V776 PolarHBondContact O-N 2.87Å
777	V	91.1	Very high	87.1	Confident	7 Å²	7	24.3 Å²	24.3	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.1	173.8	-175.2	0	0	0	0	109.5	T532 I534 N746 R747 V748 Y779	T532-V777 WeakPolarHBondContact O-CA 3.4Å; I534-V777 HydrophobicContact CD1-CG1 3.77Å; I534-V777 HydrophobicContact CG1-CG1 4.35Å; N746-V777 PolarHBondContact O-N 3.37Å; N746-V777 VanDerWaalsContact O-N 3.16Å; R747-V777 WeakPolarHBondContact CA-O 3.49Å; V748-V777 PolarHBondContact N-O 2.87Å; V777-Y779 HydrophobicContact CB-CE2 4.47Å; V777-Y779 HydrophobicContact CG1-CD1 4.27Å; V777-Y779 HydrophobicContact CG1-CE1 3.67Å; V777-Y779 HydrophobicContact CG1-CE2 4.17Å
778	V	92.1	Very high	87.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	175.4	-171.7	0	0	0	0	109.2	T532 E533 I534 V748 I750 V764	T532-V778 PolarHBondContact O-N 3.29Å; E533-V778 HydrophobicContact CB-CB 4.32Å; E533-V778 HydrophobicContact CG-CB 3.87Å; E533-V778 HydrophobicContact CG-CG2 3.86Å; I534-V778 PolarHBondContact N-O 2.9Å; V748-V778 HydrophobicContact CB-CG1 4.26Å; V748-V778 HydrophobicContact CB-CG2 4.27Å; V748-V778 HydrophobicContact CG1-CG1 4.26Å; V748-V778 CarbonylContact O-C 3.56Å; V748-V778 VanDerWaalsContact O-CA 3.31Å; V748-V778 WeakPolarHBondContact O-CA 3.42Å; I750-V778 HydrophobicContact CD1-CG1 4.2Å; V764-V778 HydrophobicContact CG1-CG2 3.68Å; V764-V778 HydrophobicContact CG2-CG1 3.7Å; V764-V778 HydrophobicContact CG2-CG2 4.02Å
779	Y	93.2	Very high	87.1	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.9	177.9	-52.3	-78.4	0	0	0	108.8	L536 L639 F643 R747 V748 I749 I750 V777 H862 L866	L536-Y779 HydrophobicContact CD1-CD1 3.95Å; L536-Y779 HydrophobicContact CD1-CG 4.31Å; L639-Y779 HydrophobicContact CD2-CD2 4.3Å; L639-Y779 HydrophobicContact CD2-CE2 4.31Å; L639-Y779 HydrophobicContact CD2-CG 4.44Å; F643-Y779 HydrophobicContact CZ-CE2 4.19Å; R747-Y779 HydrophobicContact CB-CE2 4.23Å; R747-Y779 WeakPolarHBondContact CD-OH 3.49Å; R747-Y779 HydrophobicContact CG-CE2 4.46Å; V748-Y779 WeakPolarHBondContact O-CD2 3.47Å; V748-Y779 PolarHBondContact O-N 3.34Å; I749-Y779 WeakPolarHBondContact CA-O 3.43Å; I749-Y779 HydrophobicContact CG1-CD2 3.73Å; I749-Y779 HydrophobicContact CG1-CG 4.38Å; I750-Y779 PolarHBondContact N-O 3.33Å; V777-Y779 HydrophobicContact CB-CE2 4.47Å; V777-Y779 HydrophobicContact CG1-CD1 4.27Å; V777-Y779 HydrophobicContact CG1-CE1 3.67Å; V777-Y779 HydrophobicContact CG1-CE2 4.17Å; Y779-H862 AromaticContact CE1-NE2 3.4Å; Y779-H862 WeakPolarHBondContact CE1-NE2 3.28Å; Y779-H862 AromaticContact CZ-NE2 3.47Å; Y779-H862 PolarHBondContact OH-CD2 3.35Å; Y779-H862 PolarHBondContact OH-CE1 3.31Å; Y779-H862 PolarHBondContact OH-NE2 3.47Å; Y779-L866 HydrophobicContact CE1-CD1 4.16Å
780	R	92.9	Very high	87	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.6	177.8	-177.4	-178	-65.6	-81.8	-2.9	108.8	E533 I534 L536 D760 I782	E533-R780 IonicContact OE2-NH2 3.73Å; I534-R780 PolarHBondContact O-N 2.69Å; L536-R780 PolarHBondContact N-O 2.94Å; D760-R780 IonicContact OD2-CZ 3.47Å; D760-R780 IonicContact OD2-NH1 3.61Å; D760-R780 PolarHBondContact OD2-NH1 3.47Å; R780-I782 HydrophobicContact CG-CD1 4.24Å; R780-I782 HydrophobicContact CG-CG1 4.17Å
781	L	93.8	Very high	87.1	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	129	178.7	-52.3	-169.4	0	0	0	110.1	L536 V538 K632 F635 I750 L751	L536-L781 HydrophobicContact CB-CD2 3.92Å; L536-L781 HydrophobicContact CD1-CD2 3.64Å; L536-L781 HydrophobicContact CG-CD2 4.43Å; V538-L781 HydrophobicContact CG2-CD2 4.35Å; K632-L781 HydrophobicContact CB-CD1 4.13Å; K632-L781 HydrophobicContact CG-CD1 4.34Å; F635-L781 HydrophobicContact CD1-CD1 4.22Å; F635-L781 HydrophobicContact CD1-CD2 3.57Å; F635-L781 HydrophobicContact CE1-CD2 3.68Å; F635-L781 HydrophobicContact CG-CD2 4.4Å; I750-L781 PolarHBondContact O-N 3.27Å; I750-L781 VanDerWaalsContact O-N 3.14Å; L751-L781 HydrophobicContact CD2-CD1 3.82Å
782	I	92.1	Very high	87.2	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.5	177.7	-57.4	-176.6	0	0	0	108.6	V535 L536 W537 V538 R780 E788 E789 Y792	V535-I782 HydrophobicContact CG1-CD1 3.63Å; V535-I782 HydrophobicContact CG1-CG1 4.21Å; L536-I782 PolarHBondContact O-N 3.39Å; W537-I782 HydrophobicContact CE3-CB 4.21Å; W537-I782 HydrophobicContact CE3-CG2 3.97Å; W537-I782 HydrophobicContact CZ3-CB 4.24Å; W537-I782 HydrophobicContact CZ3-CD1 4.49Å; W537-I782 HydrophobicContact CZ3-CG2 3.65Å; V538-I782 PolarHBondContact N-O 3.44Å; R780-I782 HydrophobicContact CG-CD1 4.24Å; R780-I782 HydrophobicContact CG-CG1 4.17Å; I782-E788 HydrophobicContact CG2-CB 4.14Å; I782-E789 HydrophobicContact CG2-CB 4.22Å; I782-Y792 HydrophobicContact CD1-CD1 3.45Å; I782-Y792 VanDerWaalsContact CD1-CD1 3.45Å; I782-Y792 HydrophobicContact CD1-CD2 3.59Å; I782-Y792 HydrophobicContact CD1-CE1 3.99Å; I782-Y792 HydrophobicContact CD1-CE2 4.12Å; I782-Y792 HydrophobicContact CD1-CG 3.25Å
783	T	91	Very high	86.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.8	176.6	49.7	0	0	0	0	112.2	V538 L540 C580 K632 T786 E788	V538-T783 WeakPolarHBondContact O-CA 3.23Å; L540-T783 HydrophobicContact CD2-CG2 3.64Å; C580-T783 HydrophobicContact CB-CG2 4.25Å; C580-T783 WeakPolarHBondContact CB-OG1 3.44Å; C580-T783 PolarHBondContact SG-OG1 2.67Å; K632-T783 HydrophobicContact CG-CG2 4.36Å; T783-T786 PolarHBondContact O-OG1 2.9Å; T783-T786 VanDerWaalsContact OG1-CG2 3.31Å; T783-T786 WeakPolarHBondContact OG1-CG2 3.49Å; T783-T786 PolarHBondContact OG1-OG1 3.11Å; T783-E788 WeakPolarHBondContact CB-OE2 3.48Å; T783-E788 WeakPolarHBondContact CG2-OE2 3.43Å; T783-E788 PolarHBondContact N-OE2 3.3Å; T783-E788 VanDerWaalsContact N-OE2 3.11Å; T783-E788 PolarHBondContact OG1-OE2 3.41Å
784	C	88.3	Confident	86	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	137.1	-172.9	-58.7	0	0	0	0	112.8	W537 V538 T786 T835	W537-C784 VanDerWaalsContact C-SG 3.59Å; V538-C784 PolarHBondContact O-N 3.02Å; V538-C784 PolarHBondContact O-SG 3.24Å; C784-T786 VanDerWaalsContact O-CG2 3.3Å; C784-T786 WeakPolarHBondContact O-CG2 3.43Å; C784-T786 PolarHBondContact O-N 3.23Å; C784-T835 WeakPolarHBondContact CB-O 3.46Å
785	A	82.5	Confident	85.3	Confident	12 Å²	12	10.6 Å²	10.6	10%	0.099	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.3	179.4	0	0	0	0	0	116.6	E789 D834	A785-E789 PolarHBondContact N-OE2 3.49Å; A785-D834 VanDerWaalsContact CB-O 3.28Å; A785-D834 WeakPolarHBondContact CB-O 3.3Å
786	T	86.4	Confident	84.5	Confident	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-89.1	-175.6	-179	79	0	0	0	0	112.8	L540 C580 T783 C784 E788 K790	L540-T786 HydrophobicContact CD1-CG2 3.81Å; L540-T786 HydrophobicContact CD2-CG2 4.13Å; L540-T786 HydrophobicContact CG-CG2 4Å; C580-T786 VanDerWaalsContact SG-CB 3.55Å; C580-T786 PolarHBondContact SG-OG1 2.92Å; T783-T786 PolarHBondContact O-OG1 2.9Å; T783-T786 VanDerWaalsContact OG1-CG2 3.31Å; T783-T786 WeakPolarHBondContact OG1-CG2 3.49Å; T783-T786 PolarHBondContact OG1-OG1 3.11Å; C784-T786 VanDerWaalsContact O-CG2 3.3Å; C784-T786 WeakPolarHBondContact O-CG2 3.43Å; C784-T786 PolarHBondContact O-N 3.23Å; T786-E788 PolarHBondContact O-N 2.78Å; T786-E788 WeakPolarHBondContact OG1-CB 3.44Å; T786-E788 PolarHBondContact OG1-N 3.08Å; T786-K790 WeakPolarHBondContact O-CE 3.38Å
787	V	83.6	Confident	83.2	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.1	-29	167.3	71.2	0	0	0	0	112.9	Y548 L573 L576 K790 I791	Y548-V787 PolarHBondContact OH-N 3.01Å; L573-V787 HydrophobicContact CD2-CG2 3.77Å; L576-V787 HydrophobicContact CB-CB 4.42Å; L576-V787 HydrophobicContact CB-CG1 3.92Å; V787-K790 PolarHBondContact O-N 3.12Å; V787-I791 HydrophobicContact CG2-CD1 4.05Å; V787-I791 HydrophobicContact CG2-CG1 4.35Å; V787-I791 VanDerWaalsContact O-CG1 3.27Å; V787-I791 WeakPolarHBondContact O-CG1 3.48Å; V787-I791 PolarHBondContact O-N 3.28Å
788	E	87.1	Confident	81.8	Confident	0 Å²	0	14 Å²	14	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.2	-41.9	-177.9	-62.6	-163.3	118.1	0	0	113	C580 K632 P753 I782 T783 T786 K790 I791 Y792	C580-E788 HydrophobicContact CB-CG 3.85Å; K632-E788 WeakPolarHBondContact CE-OE2 3.48Å; K632-E788 VanDerWaalsContact NZ-CD 3.26Å; K632-E788 IonicContact NZ-OE1 2.71Å; K632-E788 PolarHBondContact NZ-OE1 3.39Å; K632-E788 IonicContact NZ-OE2 2.7Å; K632-E788 PolarHBondContact NZ-OE2 3.01Å; K632-E788 VanDerWaalsContact NZ-OE2 3.09Å; P753-E788 WeakPolarHBondContact CD-OE1 3.38Å; I782-E788 HydrophobicContact CG2-CB 4.14Å; T783-E788 WeakPolarHBondContact CB-OE2 3.48Å; T783-E788 WeakPolarHBondContact CG2-OE2 3.43Å; T783-E788 PolarHBondContact N-OE2 3.3Å; T783-E788 VanDerWaalsContact N-OE2 3.11Å; T783-E788 PolarHBondContact OG1-OE2 3.41Å; T786-E788 PolarHBondContact O-N 2.78Å; T786-E788 WeakPolarHBondContact OG1-CB 3.44Å; T786-E788 PolarHBondContact OG1-N 3.08Å; E788-K790 PolarHBondContact O-N 2.63Å; E788-I791 PolarHBondContact O-N 3.2Å; E788-Y792 WeakPolarHBondContact O-CB 3.37Å; E788-Y792 PolarHBondContact O-N 3.15Å
789	E	85.9	Confident	80.4	Confident	7 Å²	7	15.1 Å²	15.1	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-57.5	-37.6	174.1	175.1	162.8	163.8	0	0	111.1	W537 I782 A785 Y792 R793 S838 E839 T840	W537-E789 HydrophobicContact CH2-CG 4.31Å; W537-E789 HydrophobicContact CZ3-CB 4.15Å; W537-E789 HydrophobicContact CZ3-CG 3.77Å; I782-E789 HydrophobicContact CG2-CB 4.22Å; A785-E789 PolarHBondContact N-OE2 3.49Å; E789-Y792 PolarHBondContact O-N 2.82Å; E789-R793 PolarHBondContact O-N 2.81Å; E789-S838 PolarHBondContact OE1-OG 2.84Å; E789-S838 VanDerWaalsContact OE2-CB 3.32Å; E789-S838 WeakPolarHBondContact OE2-CB 3.32Å; E789-S838 PolarHBondContact OE2-OG 3.44Å; E789-E839 PolarHBondContact OE1-N 3.1Å; E789-T840 VanDerWaalsContact CD-OG1 3.23Å; E789-T840 WeakPolarHBondContact CG-OG1 3.09Å; E789-T840 WeakPolarHBondContact OE1-CB 3.39Å; E789-T840 PolarHBondContact OE1-N 2.91Å; E789-T840 PolarHBondContact OE1-OG1 3.33Å
790	K	77.8	Confident	78.9	Confident	28 Å²	28	15.8 Å²	15.8	12%	0.122	7%	0.072	C	C	.	.	H	α-helix	trans	-79.2	-34.5	-179.1	-54.4	170.9	-155.8	175.3	0	112.2	T786 V787 E788 Y792 R794 E828 L829 S831	T786-K790 WeakPolarHBondContact O-CE 3.38Å; V787-K790 PolarHBondContact O-N 3.12Å; E788-K790 PolarHBondContact O-N 2.63Å; K790-Y792 VanDerWaalsContact C-N 3.32Å; K790-R794 WeakPolarHBondContact O-CG 3.44Å; K790-R794 PolarHBondContact O-N 3.27Å; K790-E828 WeakPolarHBondContact CD-O 3.18Å; K790-E828 WeakPolarHBondContact CE-O 3.49Å; K790-E828 PolarHBondContact NZ-O 3.43Å; K790-L829 HydrophobicContact CB-CD2 3.81Å; K790-L829 HydrophobicContact CD-CD2 4.22Å; K790-L829 PolarHBondContact NZ-O 2.7Å; K790-S831 PolarHBondContact NZ-O 3.04Å
791	I	78.8	Confident	77.3	Confident	3 Å²	3	17 Å²	17	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-45	167.1	-70.7	163.6	0	0	0	109.7	W755 V787 E788 R794 Q795	W755-I791 HydrophobicContact CD2-CD1 4.23Å; W755-I791 HydrophobicContact CD2-CG1 4.09Å; W755-I791 HydrophobicContact CD2-CG2 4.49Å; W755-I791 HydrophobicContact CE3-CG1 3.97Å; W755-I791 HydrophobicContact CH2-CD1 3.99Å; W755-I791 HydrophobicContact CH2-CG1 3.66Å; W755-I791 HydrophobicContact CZ2-CD1 3.58Å; W755-I791 HydrophobicContact CZ2-CG1 3.78Å; W755-I791 HydrophobicContact CZ3-CD1 4.47Å; W755-I791 HydrophobicContact CZ3-CG1 3.76Å; V787-I791 HydrophobicContact CG2-CD1 4.05Å; V787-I791 HydrophobicContact CG2-CG1 4.35Å; V787-I791 VanDerWaalsContact O-CG1 3.27Å; V787-I791 WeakPolarHBondContact O-CG1 3.48Å; V787-I791 PolarHBondContact O-N 3.28Å; E788-I791 PolarHBondContact O-N 3.2Å; I791-R794 CarbonylContact O-C 3.54Å; I791-R794 WeakPolarHBondContact O-CA 3.32Å; I791-R794 WeakPolarHBondContact O-CB 3.47Å; I791-R794 PolarHBondContact O-N 3.44Å; I791-R794 VanDerWaalsContact O-N 3.14Å; I791-Q795 PolarHBondContact O-N 3.17Å
792	Y	82.4	Confident	75.7	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.1	-45.4	179.5	178.6	-116.6	0	0	0	112.7	V535 W537 I782 E788 E789 K790 R794 Q795 I796 H881 M884	V535-Y792 HydrophobicContact CG1-CE1 4.44Å; V535-Y792 HydrophobicContact CG2-CE1 4.25Å; V535-Y792 HydrophobicContact CG2-CE2 4.43Å; V535-Y792 WeakPolarHBondContact CG2-OH 3.48Å; W537-Y792 AromaticContact CH2-CD1 3.79Å; W537-Y792 HydrophobicContact CH2-CD1 3.79Å; W537-Y792 HydrophobicContact CH2-CE1 4.04Å; W537-Y792 HydrophobicContact CZ2-CD1 4.35Å; W537-Y792 HydrophobicContact CZ2-CE1 4.13Å; I782-Y792 HydrophobicContact CD1-CD1 3.45Å; I782-Y792 VanDerWaalsContact CD1-CD1 3.45Å; I782-Y792 HydrophobicContact CD1-CD2 3.59Å; I782-Y792 HydrophobicContact CD1-CE1 3.99Å; I782-Y792 HydrophobicContact CD1-CE2 4.12Å; I782-Y792 HydrophobicContact CD1-CG 3.25Å; E788-Y792 WeakPolarHBondContact O-CB 3.37Å; E788-Y792 PolarHBondContact O-N 3.15Å; E789-Y792 PolarHBondContact O-N 2.82Å; K790-Y792 VanDerWaalsContact C-N 3.32Å; Y792-R794 PolarHBondContact O-N 2.97Å; Y792-Q795 WeakPolarHBondContact O-CB 3.46Å; Y792-Q795 PolarHBondContact O-N 3.4Å; Y792-I796 HydrophobicContact CD1-CD1 3.76Å; Y792-I796 HydrophobicContact CD2-CD1 4.39Å; Y792-I796 HydrophobicContact CD2-CG1 4.47Å; Y792-I796 HydrophobicContact CE1-CD1 3.49Å; Y792-I796 VanDerWaalsContact CE1-CD1 3.49Å; Y792-I796 HydrophobicContact CE1-CG1 4.31Å; Y792-I796 HydrophobicContact CE2-CD1 4.15Å; Y792-I796 HydrophobicContact CE2-CG1 4.1Å; Y792-I796 HydrophobicContact CG-CD1 4.19Å; Y792-I796 WeakPolarHBondContact O-CD1 3.44Å; Y792-I796 WeakPolarHBondContact O-CG1 3.47Å; Y792-I796 PolarHBondContact O-N 3.14Å; Y792-I796 VanDerWaalsContact O-N 3.08Å; Y792-H881 AromaticContact CE2-CE1 3.88Å; Y792-H881 AromaticContact CE2-ND1 3.53Å; Y792-H881 AromaticContact CZ-ND1 3.66Å; Y792-H881 PolarHBondContact OH-ND1 2.9Å; Y792-M884 HydrophobicContact CE1-SD 4.5Å; Y792-M884 PolarHBondContact OH-SD 2.98Å; Y792-M884 VanDerWaalsContact OH-SD 3.34Å
793	R	74.3	Confident	74.2	Confident	39 Å²	39	23.5 Å²	23.5	15%	0.147	11%	0.105	C	C	.	.	H	α-helix	trans	-50	-41.5	169.2	-75.7	-173.4	-177.8	-165	-2.4	112.1	E789 F797 F821 T840	E789-R793 PolarHBondContact O-N 2.81Å; R793-F797 PolarHBondContact O-N 2.81Å; R793-F821 HydrophobicContact CB-CE2 3.73Å; R793-F821 HydrophobicContact CB-CZ 3.53Å; R793-F821 HydrophobicContact CG-CZ 4.36Å; R793-T840 HydrophobicContact CG-CG2 4.07Å; R793-T840 PolarHBondContact NE-OG1 3.23Å; R793-T840 PolarHBondContact NH2-OG1 2.9Å; R793-T840 VanDerWaalsContact NH2-OG1 3.08Å
794	R	69.6	Low	72.7	Confident	68 Å²	68	24.7 Å²	24.7	26%	0.257	11%	0.111	S	C	.	.	H	α-helix	trans	-71.6	-35.3	176.1	-70.8	178.3	172	-143.7	-5.5	113.8	K790 I791 Y792 F797 K798 F821 L826	K790-R794 WeakPolarHBondContact O-CG 3.44Å; K790-R794 PolarHBondContact O-N 3.27Å; I791-R794 CarbonylContact O-C 3.54Å; I791-R794 WeakPolarHBondContact O-CA 3.32Å; I791-R794 WeakPolarHBondContact O-CB 3.47Å; I791-R794 PolarHBondContact O-N 3.44Å; I791-R794 VanDerWaalsContact O-N 3.14Å; Y792-R794 PolarHBondContact O-N 2.97Å; R794-F797 PolarHBondContact O-N 2.88Å; R794-K798 PolarHBondContact O-N 3.05Å; R794-K798 VanDerWaalsContact O-N 3.12Å; R794-F821 HydrophobicContact CG-CD2 4.39Å; R794-F821 HydrophobicContact CG-CE2 3.76Å; R794-F821 HydrophobicContact CG-CZ 4.14Å; R794-L826 VanDerWaalsContact NH2-CD2 3.27Å
795	Q	73	Confident	71.2	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-56	-52.2	172	-72.3	-166.3	-39.3	0	0	110.7	S754 P757 D760 I791 Y792 F797 K798 D799	S754-Q795 PolarHBondContact O-NE2 2.79Å; P757-Q795 HydrophobicContact CB-CB 4.03Å; P757-Q795 HydrophobicContact CB-CG 4.24Å; P757-Q795 HydrophobicContact CG-CB 4.21Å; D760-Q795 PolarHBondContact OD2-NE2 3.27Å; I791-Q795 PolarHBondContact O-N 3.17Å; Y792-Q795 WeakPolarHBondContact O-CB 3.46Å; Y792-Q795 PolarHBondContact O-N 3.4Å; Q795-F797 VanDerWaalsContact C-N 3.33Å; Q795-F797 PolarHBondContact O-N 3.05Å; Q795-K798 PolarHBondContact O-N 3.17Å; Q795-K798 VanDerWaalsContact O-N 3.11Å; Q795-D799 PolarHBondContact O-N 3.46Å
796	I	68.9	Low	70.1	Confident	21 Å²	21	25.4 Å²	25.4	11%	0.108	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-45.1	-177.5	-60.4	150.7	0	0	0	111.3	Y792 K798 D799 S800 M884 F885	Y792-I796 HydrophobicContact CD1-CD1 3.76Å; Y792-I796 HydrophobicContact CD2-CD1 4.39Å; Y792-I796 HydrophobicContact CD2-CG1 4.47Å; Y792-I796 HydrophobicContact CE1-CD1 3.49Å; Y792-I796 VanDerWaalsContact CE1-CD1 3.49Å; Y792-I796 HydrophobicContact CE1-CG1 4.31Å; Y792-I796 HydrophobicContact CE2-CD1 4.15Å; Y792-I796 HydrophobicContact CE2-CG1 4.1Å; Y792-I796 HydrophobicContact CG-CD1 4.19Å; Y792-I796 WeakPolarHBondContact O-CD1 3.44Å; Y792-I796 WeakPolarHBondContact O-CG1 3.47Å; Y792-I796 PolarHBondContact O-N 3.14Å; Y792-I796 VanDerWaalsContact O-N 3.08Å; I796-K798 PolarHBondContact O-N 3.01Å; I796-D799 PolarHBondContact O-N 3.17Å; I796-S800 PolarHBondContact O-N 2.97Å; I796-S800 VanDerWaalsContact O-N 3.15Å; I796-S800 PolarHBondContact O-OG 3.36Å; I796-M884 HydrophobicContact CD1-CE 3.24Å; I796-M884 HydrophobicContact CD1-SD 4.47Å; I796-M884 HydrophobicContact CG1-CE 3.81Å; I796-M884 HydrophobicContact CG2-CB 4.46Å; I796-M884 HydrophobicContact CG2-CE 3.99Å; I796-F885 HydrophobicContact CG2-CE1 4.49Å
797	F	61.9	Low	68.6	Low	75 Å²	75	27.1 Å²	27.1	33%	0.329	13%	0.126	S	C	.	.	H	α-helix	trans	-65	-35.6	178.3	-178.9	-96.9	0	0	0	112.9	R793 R794 Q795 S800 V801	R793-F797 PolarHBondContact O-N 2.81Å; R794-F797 PolarHBondContact O-N 2.88Å; Q795-F797 VanDerWaalsContact C-N 3.33Å; Q795-F797 PolarHBondContact O-N 3.05Å; F797-S800 PolarHBondContact O-OG 3.36Å; F797-V801 HydrophobicContact CE1-CG2 4.15Å; F797-V801 HydrophobicContact CZ-CG2 4.16Å; F797-V801 WeakPolarHBondContact O-CG2 3.39Å; F797-V801 PolarHBondContact O-N 3.12Å
798	K	63.2	Low	66.9	Low	37 Å²	37	29.6 Å²	29.6	16%	0.161	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-42.9	174.5	-74.3	-169.2	170.3	-170.8	0	111.7	N440 R794 Q795 I796 S800 V801 I802 E1226	N440-K798 PolarHBondContact OD1-NZ 3.4Å; R794-K798 PolarHBondContact O-N 3.05Å; R794-K798 VanDerWaalsContact O-N 3.12Å; Q795-K798 PolarHBondContact O-N 3.17Å; Q795-K798 VanDerWaalsContact O-N 3.11Å; I796-K798 PolarHBondContact O-N 3.01Å; K798-S800 PolarHBondContact O-N 3.22Å; K798-V801 PolarHBondContact O-N 2.81Å; K798-I802 WeakPolarHBondContact O-CD1 3.37Å; K798-I802 VanDerWaalsContact O-CG1 3.23Å; K798-I802 WeakPolarHBondContact O-CG1 3.27Å; K798-I802 PolarHBondContact O-N 3.11Å; K798-I802 VanDerWaalsContact O-N 3.09Å; K798-E1226 WeakPolarHBondContact CE-OE1 3.45Å; K798-E1226 IonicContact NZ-OE1 3.71Å; K798-E1226 PolarHBondContact NZ-OE1 2.76Å; K798-E1226 IonicContact NZ-OE2 3.87Å
799	D	62.7	Low	64.7	Low	24 Å²	24	32.2 Å²	32.2	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-36.4	179.1	-79.2	-24.5	0	0	0	113.3	P757 Q795 I796 I802 R803 F885	P757-D799 VanDerWaalsContact CB-OD2 3.3Å; P757-D799 WeakPolarHBondContact CB-OD2 3.28Å; P757-D799 WeakPolarHBondContact CG-OD1 3.42Å; Q795-D799 PolarHBondContact O-N 3.46Å; I796-D799 PolarHBondContact O-N 3.17Å; D799-I802 PolarHBondContact O-N 3.33Å; D799-R803 VanDerWaalsContact O-CG 3.32Å; D799-R803 WeakPolarHBondContact O-CG 3.43Å; D799-R803 PolarHBondContact O-N 2.84Å; D799-F885 HydrophobicContact CB-CE1 4.02Å; D799-F885 HydrophobicContact CB-CZ 4.07Å
800	S	60.8	Low	62.5	Low	15 Å²	15	40.5 Å²	40.5	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-41.5	177	60	0	0	0	0	112.6	I796 F797 K798 I802 R803 Q804 P817	I796-S800 PolarHBondContact O-N 2.97Å; I796-S800 VanDerWaalsContact O-N 3.15Å; I796-S800 PolarHBondContact O-OG 3.36Å; F797-S800 PolarHBondContact O-OG 3.36Å; K798-S800 PolarHBondContact O-N 3.22Å; S800-I802 VanDerWaalsContact C-N 3.29Å; S800-I802 PolarHBondContact O-N 3.09Å; S800-R803 PolarHBondContact O-N 2.97Å; S800-Q804 PolarHBondContact O-N 3.24Å; S800-P817 WeakPolarHBondContact OG-CB 3.49Å; S800-P817 WeakPolarHBondContact OG-CG 3.47Å
801	V	58.5	Low	60.5	Low	27 Å²	27	43.2 Å²	43.2	16%	0.164	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-37.3	173.5	171.4	0	0	0	0	111.9	F797 K798 T805	F797-V801 HydrophobicContact CE1-CG2 4.15Å; F797-V801 HydrophobicContact CZ-CG2 4.16Å; F797-V801 WeakPolarHBondContact O-CG2 3.39Å; F797-V801 PolarHBondContact O-N 3.12Å; K798-V801 PolarHBondContact O-N 2.81Å; V801-T805 WeakPolarHBondContact O-CG2 3.49Å; V801-T805 PolarHBondContact O-N 3.14Å; V801-T805 PolarHBondContact O-OG1 3.46Å
802	I	60.5	Low	58.2	Low	16 Å²	16	52.6 Å²	52.6	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-40.1	176.1	-64.4	159	0	0	0	111.2	V438 K798 D799 S800 T805 T806	V438-I802 HydrophobicContact CB-CG1 4.4Å; V438-I802 WeakPolarHBondContact O-CD1 3.09Å; K798-I802 WeakPolarHBondContact O-CD1 3.37Å; K798-I802 VanDerWaalsContact O-CG1 3.23Å; K798-I802 WeakPolarHBondContact O-CG1 3.27Å; K798-I802 PolarHBondContact O-N 3.11Å; K798-I802 VanDerWaalsContact O-N 3.09Å; D799-I802 PolarHBondContact O-N 3.33Å; S800-I802 VanDerWaalsContact C-N 3.29Å; S800-I802 PolarHBondContact O-N 3.09Å; I802-T805 PolarHBondContact O-OG1 3.45Å; I802-T806 PolarHBondContact O-N 3.31Å; I802-T806 PolarHBondContact O-OG1 3.42Å
803	R	61.3	Low	55.8	Low	120 Å²	120	57 Å²	57	45%	0.453	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-58.7	175.2	-71.6	167.1	-173.3	-99.5	8.4	110.6	D799 S800 T805 T806 S807	D799-R803 VanDerWaalsContact O-CG 3.32Å; D799-R803 WeakPolarHBondContact O-CG 3.43Å; D799-R803 PolarHBondContact O-N 2.84Å; S800-R803 PolarHBondContact O-N 2.97Å; R803-T805 PolarHBondContact O-N 3.06Å; R803-T806 PolarHBondContact O-N 3.12Å; R803-S807 PolarHBondContact O-N 3.41Å; R803-S807 PolarHBondContact O-OG 3.03Å
804	Q	59.2	Low	54.1	Low	26 Å²	26	58.4 Å²	58.4	12%	0.121	30%	0.301	C	S	.	.	H	α-helix	trans	-50.4	-38.4	-179.2	-76.4	-167.8	-39.7	0	0	114.1	R496 S800 L815 D816 P817	R496-Q804 VanDerWaalsContact CZ-O 3.23Å; R496-Q804 PolarHBondContact NH1-O 2.95Å; R496-Q804 PolarHBondContact NH2-O 3.39Å; S800-Q804 PolarHBondContact O-N 3.24Å; Q804-L815 PolarHBondContact NE2-O 3.16Å; Q804-D816 PolarHBondContact NE2-OD1 2.99Å; Q804-P817 VanDerWaalsContact NE2-CD 3.25Å
805	T	57.9	Low	52.9	Low	19 Å²	19	58.8 Å²	58.8	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-82.8	-9.4	-175.7	47.7	0	0	0	0	114.1	L442 R476 V801 I802 R803	L442-T805 HydrophobicContact CD2-CG2 4.47Å; R476-T805 VanDerWaalsContact NH2-CG2 3.3Å; V801-T805 WeakPolarHBondContact O-CG2 3.49Å; V801-T805 PolarHBondContact O-N 3.14Å; V801-T805 PolarHBondContact O-OG1 3.46Å; I802-T805 PolarHBondContact O-OG1 3.45Å; R803-T805 PolarHBondContact O-N 3.06Å
806	T	57.9	Low	51.4	Low	7 Å²	7	61.9 Å²	61.9	4%	0.043	32%	0.324	C	S	.	.	H	α-helix	trans	-137.1	-2.3	-170.7	66.4	0	0	0	0	115.5	A437 V438 F503 R505 I802 R803	A437-T806 HydrophobicContact CB-CG2 3.78Å; V438-T806 HydrophobicContact CG2-CG2 4.22Å; F503-T806 HydrophobicContact CE1-CG2 4.4Å; F503-T806 WeakPolarHBondContact CE1-O 3.44Å; F503-T806 HydrophobicContact CZ-CG2 3.95Å; R505-T806 PolarHBondContact NH1-OG1 3.26Å; I802-T806 PolarHBondContact O-N 3.31Å; I802-T806 PolarHBondContact O-OG1 3.42Å; R803-T806 PolarHBondContact O-N 3.12Å
807	S	56.1	Low	50.1	Low	36 Å²	36	62.3 Å²	62.3	25%	0.252	33%	0.328	S	S	.	.			trans	-66.2	134.5	165.5	-67.4	0	0	0	0	111	R496 R803 D814	R496-S807 PolarHBondContact NH1-O 3.33Å; R803-S807 PolarHBondContact O-N 3.41Å; R803-S807 PolarHBondContact O-OG 3.03Å; S807-D814 WeakPolarHBondContact CB-OD1 3.33Å; S807-D814 WeakPolarHBondContact CB-OD2 3.43Å; S807-D814 PolarHBondContact OG-OD1 2.92Å; S807-D814 VanDerWaalsContact OG-OD1 3.07Å
808	T	46.5	Very low	49	Very low	53 Å²	53	66 Å²	66	33%	0.325	34%	0.341	S	S	.	.			trans	-85.3	136.2	169.8	51.3	0	0	0	0	109.9	Q810	T808-Q810 PolarHBondContact O-N 3.16Å
809	G	41.6	Very low	48	Very low	54 Å²	54	66.4 Å²	66.4	56%	0.557	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	31.9	-161.4	0	0	0	0	0	117.8
810	Q	39.7	Very low	47	Very low	181 Å²	181	67.9 Å²	67.9	85%	0.846	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-17	178.2	-67.8	-170	-12.4	0	0	114	T808	T808-Q810 PolarHBondContact O-N 3.16Å
811	N	35.5	Very low	45.9	Very low	86 Å²	86	69.9 Å²	69.9	46%	0.46	35%	0.352	S	S	.	.	S	Bend	trans	-105.1	91.6	167.1	-60	-32.8	0	0	0	108.4	T813	N811-T813 VanDerWaalsContact C-N 3.32Å; N811-T813 PolarHBondContact O-N 2.79Å
812	K	30.2	Very low	45.4	Very low	199 Å²	199	70.8 Å²	70.8	87%	0.865	36%	0.36	S	S	*	.			trans	-76.9	71.7	-175.2	-77.5	-172.8	171.4	-176.8	0	113.6
813	T	31.8	Very low	44.7	Very low	94 Å²	94	77.1 Å²	77.1	58%	0.577	38%	0.383	S	S	*	.			trans	-140.2	18.6	164	55.4	0	0	0	0	113.5	N811 L815	N811-T813 VanDerWaalsContact C-N 3.32Å; N811-T813 PolarHBondContact O-N 2.79Å; T813-L815 VanDerWaalsContact C-N 3.28Å; T813-L815 PolarHBondContact O-N 3.27Å
814	D	39.2	Very low	44.2	Very low	67 Å²	67	77.1 Å²	77.1	36%	0.358	39%	0.388	S	S	.	.			trans	-69.8	74.5	175.2	-77.3	-37.2	0	0	0	111.9	R496 S807	R496-D814 IonicContact NH1-OD2 2.66Å; S807-D814 WeakPolarHBondContact CB-OD1 3.33Å; S807-D814 WeakPolarHBondContact CB-OD2 3.43Å; S807-D814 PolarHBondContact OG-OD1 2.92Å; S807-D814 VanDerWaalsContact OG-OD1 3.07Å
815	L	44	Very low	43.9	Very low	77 Å²	77	76.9 Å²	76.9	40%	0.403	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-96	173.4	175.6	-74.9	169.3	0	0	0	112.9	Q804 T813	Q804-L815 PolarHBondContact NE2-O 3.16Å; T813-L815 VanDerWaalsContact C-N 3.28Å; T813-L815 PolarHBondContact O-N 3.27Å
816	D	41.7	Very low	43.6	Very low	66 Å²	66	80.2 Å²	80.2	35%	0.353	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-81.6	127.9	-164.5	-140	40.8	0	0	0	113.1	Q804 R819	Q804-D816 PolarHBondContact NE2-OD1 2.99Å; D816-R819 IonicContact OD2-CZ 2.69Å; D816-R819 IonicContact OD2-NE 3.23Å; D816-R819 PolarHBondContact OD2-NE 3.46Å; D816-R819 IonicContact OD2-NH2 3.39Å; D816-R819 PolarHBondContact OD2-NH2 3.47Å
817	P	41.1	Very low	43.4	Very low	30 Å²	30	83.4 Å²	83.4	20%	0.195	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-72.9	143.2	-178.4	30	-35.6	0	0	0	112.1	S800 Q804 R819	S800-P817 WeakPolarHBondContact OG-CB 3.49Å; S800-P817 WeakPolarHBondContact OG-CG 3.47Å; Q804-P817 VanDerWaalsContact NE2-CD 3.25Å; P817-R819 PolarHBondContact O-N 2.98Å
818	Y	39.3	Very low	43.7	Very low	152 Å²	152	86.1 Å²	86.1	60%	0.596	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-54.8	124.5	-176.4	-168.2	-84.6	0	0	0	112.6	Y820	Y818-Y820 AromaticContact CD1-CD1 3.68Å; Y818-Y820 HydrophobicContact CD1-CD1 3.68Å; Y818-Y820 AromaticContact CD1-CD2 3.77Å; Y818-Y820 HydrophobicContact CD1-CD2 3.77Å; Y818-Y820 AromaticContact CD1-CE1 3.56Å; Y818-Y820 HydrophobicContact CD1-CE1 3.56Å; Y818-Y820 AromaticContact CD1-CE2 3.64Å; Y818-Y820 HydrophobicContact CD1-CE2 3.64Å; Y818-Y820 AromaticContact CD1-CG 3.77Å; Y818-Y820 HydrophobicContact CD1-CG 3.77Å; Y818-Y820 AromaticContact CD1-CZ 3.52Å; Y818-Y820 AromaticContact CE1-CD1 3.8Å; Y818-Y820 HydrophobicContact CE1-CD1 3.8Å; Y818-Y820 AromaticContact CE1-CE1 3.78Å; Y818-Y820 HydrophobicContact CE1-CE1 3.78Å; Y818-Y820 HydrophobicContact CE1-CG 4.24Å; Y818-Y820 HydrophobicContact CG-CE2 4.16Å; Y818-Y820 WeakPolarHBondContact O-CD2 3.37Å; Y818-Y820 PolarHBondContact O-N 3.22Å
819	R	42.2	Very low	44.2	Very low	46 Å²	46	84 Å²	84	17%	0.174	42%	0.419	C	S	.	.			trans	-85.6	73.7	-172.4	-59.2	-179.9	-173.7	-160.6	-0.7	110.9	G475 R476 E477 D816 P817	G475-R819 VanDerWaalsContact O-CZ 3.3Å; G475-R819 PolarHBondContact O-NH1 2.92Å; G475-R819 PolarHBondContact O-NH2 3.49Å; R476-R819 WeakPolarHBondContact O-CD 3.46Å; R476-R819 PolarHBondContact O-NH1 2.69Å; E477-R819 PolarHBondContact O-NH1 2.79Å; D816-R819 IonicContact OD2-CZ 2.69Å; D816-R819 IonicContact OD2-NE 3.23Å; D816-R819 PolarHBondContact OD2-NE 3.46Å; D816-R819 IonicContact OD2-NH2 3.39Å; D816-R819 PolarHBondContact OD2-NH2 3.47Å; P817-R819 PolarHBondContact O-N 2.98Å
820	Y	42.4	Very low	45	Very low	55 Å²	55	82.4 Å²	82.4	22%	0.216	40%	0.396	C	S	.	.			trans	-54.4	-58.3	-177	-71.3	-81.8	0	0	0	112.7	R478 Y818	R478-Y820 PolarHBondContact NH1-O 3.39Å; Y818-Y820 AromaticContact CD1-CD1 3.68Å; Y818-Y820 HydrophobicContact CD1-CD1 3.68Å; Y818-Y820 AromaticContact CD1-CD2 3.77Å; Y818-Y820 HydrophobicContact CD1-CD2 3.77Å; Y818-Y820 AromaticContact CD1-CE1 3.56Å; Y818-Y820 HydrophobicContact CD1-CE1 3.56Å; Y818-Y820 AromaticContact CD1-CE2 3.64Å; Y818-Y820 HydrophobicContact CD1-CE2 3.64Å; Y818-Y820 AromaticContact CD1-CG 3.77Å; Y818-Y820 HydrophobicContact CD1-CG 3.77Å; Y818-Y820 AromaticContact CD1-CZ 3.52Å; Y818-Y820 AromaticContact CE1-CD1 3.8Å; Y818-Y820 HydrophobicContact CE1-CD1 3.8Å; Y818-Y820 AromaticContact CE1-CE1 3.78Å; Y818-Y820 HydrophobicContact CE1-CE1 3.78Å; Y818-Y820 HydrophobicContact CE1-CG 4.24Å; Y818-Y820 HydrophobicContact CG-CE2 4.16Å; Y818-Y820 WeakPolarHBondContact O-CD2 3.37Å; Y818-Y820 PolarHBondContact O-N 3.22Å
821	F	37.5	Very low	46.1	Very low	56 Å²	56	76.7 Å²	76.7	25%	0.246	38%	0.376	C	S	.	.			trans	-87.8	128.7	-162.5	-65.7	-71.9	0	0	0	116.2	R793 R794 E825	R793-F821 HydrophobicContact CB-CE2 3.73Å; R793-F821 HydrophobicContact CB-CZ 3.53Å; R793-F821 HydrophobicContact CG-CZ 4.36Å; R794-F821 HydrophobicContact CG-CD2 4.39Å; R794-F821 HydrophobicContact CG-CE2 3.76Å; R794-F821 HydrophobicContact CG-CZ 4.14Å; F821-E825 WeakPolarHBondContact CA-OE2 3.38Å; F821-E825 HydrophobicContact CD1-CB 3.7Å; F821-E825 HydrophobicContact CD1-CG 4.4Å; F821-E825 WeakPolarHBondContact CD1-OE2 3.45Å; F821-E825 HydrophobicContact CE1-CB 4.34Å
822	S	47.5	Very low	47.4	Very low	47 Å²	47	74 Å²	74	33%	0.329	36%	0.361	S	S	.	.			trans	-100.9	175.8	164.3	70.1	0	0	0	0	112.2	Q824 E825	S822-Q824 PolarHBondContact O-N 2.87Å; S822-Q824 PolarHBondContact OG-N 3.38Å; S822-E825 VanDerWaalsContact CB-OE1 3.28Å; S822-E825 WeakPolarHBondContact CB-OE1 3.32Å; S822-E825 PolarHBondContact N-OE1 3.28Å; S822-E825 PolarHBondContact O-N 3.19Å; S822-E825 PolarHBondContact OG-OE1 2.68Å
823	R	46.6	Very low	49.1	Very low	148 Å²	148	66.3 Å²	66.3	56%	0.558	34%	0.339	S	S	*	.	S	Bend	trans	-58.3	-34.4	174.6	-167.4	-174.5	-166.9	87.6	4.7	112.5	E825 L826 I1220	R823-E825 VanDerWaalsContact C-N 3.28Å; R823-E825 PolarHBondContact O-N 3.16Å; R823-L826 PolarHBondContact O-N 3.42Å; R823-I1220 PolarHBondContact NE-O 3.09Å; R823-I1220 PolarHBondContact NH2-O 3.4Å
824	Q	51.4	Low	51.1	Low	120 Å²	120	65.4 Å²	65.4	56%	0.561	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.1	-36.9	-177.9	-169	65.9	6.2	0	0	111.9	S822 L826 V827 E828	S822-Q824 PolarHBondContact O-N 2.87Å; S822-Q824 PolarHBondContact OG-N 3.38Å; Q824-L826 PolarHBondContact O-N 2.86Å; Q824-L826 VanDerWaalsContact O-N 3.16Å; Q824-V827 WeakPolarHBondContact O-CB 3.5Å; Q824-V827 PolarHBondContact O-N 2.96Å; Q824-E828 PolarHBondContact O-N 2.81Å
825	E	51.8	Low	52.7	Low	21 Å²	21	62.4 Å²	62.4	10%	0.098	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-76.5	-3.5	-173.1	-66.8	155.1	-103	0	0	113.7	F821 S822 R823 V827 E828 L829	F821-E825 WeakPolarHBondContact CA-OE2 3.38Å; F821-E825 HydrophobicContact CD1-CB 3.7Å; F821-E825 HydrophobicContact CD1-CG 4.4Å; F821-E825 WeakPolarHBondContact CD1-OE2 3.45Å; F821-E825 HydrophobicContact CE1-CB 4.34Å; S822-E825 VanDerWaalsContact CB-OE1 3.28Å; S822-E825 WeakPolarHBondContact CB-OE1 3.32Å; S822-E825 PolarHBondContact N-OE1 3.28Å; S822-E825 PolarHBondContact O-N 3.19Å; S822-E825 PolarHBondContact OG-OE1 2.68Å; R823-E825 VanDerWaalsContact C-N 3.28Å; R823-E825 PolarHBondContact O-N 3.16Å; E825-V827 VanDerWaalsContact C-N 3.34Å; E825-E828 HydrophobicContact CB-CB 4.39Å; E825-E828 HydrophobicContact CG-CG 4.41Å; E825-E828 WeakPolarHBondContact CG-OE1 3.29Å; E825-L829 PolarHBondContact O-N 2.72Å
826	L	50.7	Low	54.3	Low	90 Å²	90	67.1 Å²	67.1	47%	0.471	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-68.7	-33.4	162.1	-81.3	163.2	0	0	0	111.9	R794 R823 Q824 L829	R794-L826 VanDerWaalsContact NH2-CD2 3.27Å; R823-L826 PolarHBondContact O-N 3.42Å; Q824-L826 PolarHBondContact O-N 2.86Å; Q824-L826 VanDerWaalsContact O-N 3.16Å; L826-L829 HydrophobicContact CD2-CD1 4.05Å; L826-L829 WeakPolarHBondContact O-CB 3.43Å; L826-L829 PolarHBondContact O-N 2.97Å
827	V	54.4	Low	56	Low	73 Å²	73	66.4 Å²	66.4	44%	0.442	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-40.2	171.7	-173.5	0	0	0	0	109.4	Q824 E825 L829 F830	Q824-V827 WeakPolarHBondContact O-CB 3.5Å; Q824-V827 PolarHBondContact O-N 2.96Å; E825-V827 VanDerWaalsContact C-N 3.34Å; V827-L829 PolarHBondContact O-N 3.48Å; V827-L829 VanDerWaalsContact O-N 3.08Å; V827-F830 PolarHBondContact O-N 3.46Å; V827-F830 VanDerWaalsContact O-N 3.1Å
828	E	62.1	Low	57.8	Low	93 Å²	93	65 Å²	65	44%	0.435	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.5	174.7	-60.8	-179.7	-148.3	0	0	114.3	K790 Q824 E825 F830 S831	K790-E828 WeakPolarHBondContact CD-O 3.18Å; K790-E828 WeakPolarHBondContact CE-O 3.49Å; K790-E828 PolarHBondContact NZ-O 3.43Å; Q824-E828 PolarHBondContact O-N 2.81Å; E825-E828 HydrophobicContact CB-CB 4.39Å; E825-E828 HydrophobicContact CG-CG 4.41Å; E825-E828 WeakPolarHBondContact CG-OE1 3.29Å; E828-F830 PolarHBondContact O-N 3.25Å; E828-S831 PolarHBondContact O-N 2.86Å; E828-S831 PolarHBondContact O-OG 2.87Å
829	L	58.4	Low	59.5	Low	10 Å²	10	61.6 Å²	61.6	5%	0.052	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.7	168.6	-77.5	173.4	0	0	0	111.6	K790 E825 L826 V827	K790-L829 HydrophobicContact CB-CD2 3.81Å; K790-L829 HydrophobicContact CD-CD2 4.22Å; K790-L829 PolarHBondContact NZ-O 2.7Å; E825-L829 PolarHBondContact O-N 2.72Å; L826-L829 HydrophobicContact CD2-CD1 4.05Å; L826-L829 WeakPolarHBondContact O-CB 3.43Å; L826-L829 PolarHBondContact O-N 2.97Å; V827-L829 PolarHBondContact O-N 3.48Å; V827-L829 VanDerWaalsContact O-N 3.08Å
830	F	58.1	Low	61.1	Low	20 Å²	20	59.8 Å²	59.8	9%	0.088	30%	0.297	C	S	.	.	S	Bend	trans	-104.2	-2.1	-172.5	-64.2	-92.4	0	0	0	114.9	L552 L561 P569 E572 L573 L576 V827 E828	L552-F830 VanDerWaalsContact CD1-O 3.28Å; L552-F830 WeakPolarHBondContact CD1-O 3.36Å; L552-F830 HydrophobicContact CD2-CB 4.31Å; L552-F830 HydrophobicContact CD2-CD1 4.31Å; L552-F830 WeakPolarHBondContact CD2-O 3.42Å; L561-F830 HydrophobicContact CD1-CB 3.79Å; L561-F830 HydrophobicContact CD1-CG 4.28Å; L561-F830 HydrophobicContact CD2-CB 3.65Å; L561-F830 HydrophobicContact CD2-CD1 3.99Å; L561-F830 HydrophobicContact CD2-CD2 3.34Å; L561-F830 HydrophobicContact CD2-CE1 4.47Å; L561-F830 HydrophobicContact CD2-CE2 3.9Å; L561-F830 HydrophobicContact CD2-CG 3.39Å; L561-F830 HydrophobicContact CD2-CZ 4.42Å; L561-F830 HydrophobicContact CG-CB 4.39Å; L561-F830 HydrophobicContact CG-CG 4.42Å; P569-F830 HydrophobicContact CB-CE2 4.38Å; P569-F830 HydrophobicContact CB-CZ 3.83Å; E572-F830 HydrophobicContact CB-CE1 4.33Å; L573-F830 HydrophobicContact CD1-CZ 4.29Å; L573-F830 HydrophobicContact CD2-CE1 3.93Å; L573-F830 HydrophobicContact CD2-CE2 4.2Å; L573-F830 HydrophobicContact CD2-CZ 3.57Å; L573-F830 HydrophobicContact CG-CE1 4.16Å; L573-F830 HydrophobicContact CG-CZ 3.68Å; L576-F830 HydrophobicContact CD1-CD1 3.76Å; L576-F830 HydrophobicContact CD1-CE1 3.89Å; V827-F830 PolarHBondContact O-N 3.46Å; V827-F830 VanDerWaalsContact O-N 3.1Å; E828-F830 PolarHBondContact O-N 3.25Å
831	S	62.2	Low	62.9	Low	60 Å²	60	58.2 Å²	58.2	42%	0.42	29%	0.291	S	S	.	.			trans	-70.5	137.6	164.9	57.1	0	0	0	0	110.1	K790 E828	K790-S831 PolarHBondContact NZ-O 3.04Å; E828-S831 PolarHBondContact O-N 2.86Å; E828-S831 PolarHBondContact O-OG 2.87Å
832	L	64	Low	65	Low	29 Å²	29	60.4 Å²	60.4	15%	0.152	30%	0.298	C	S	.	.			trans	-100.5	120.1	165.6	-177.4	65.4	0	0	0	108.2	Y548 R549 L552 T835	Y548-L832 HydrophobicContact CD1-CB 4.43Å; Y548-L832 HydrophobicContact CD1-CD1 4.03Å; Y548-L832 HydrophobicContact CD1-CD2 3.89Å; Y548-L832 HydrophobicContact CD1-CG 4.34Å; Y548-L832 HydrophobicContact CE1-CB 4.24Å; Y548-L832 HydrophobicContact CE1-CD1 3.8Å; Y548-L832 HydrophobicContact CE1-CD2 4.4Å; Y548-L832 HydrophobicContact CE1-CG 4.36Å; R549-L832 HydrophobicContact CG-CD2 3.55Å; L552-L832 HydrophobicContact CD1-CB 3.86Å; L832-T835 HydrophobicContact CD1-CG2 4.01Å; L832-T835 HydrophobicContact CD2-CG2 4.09Å; L832-T835 HydrophobicContact CG-CG2 4.28Å
833	G	65.6	Low	66.2	Low	38 Å²	38	60.6 Å²	60.6	39%	0.392	29%	0.294	S	S	.	.			trans	-75.9	-157.2	173.9	0	0	0	0	0	112.7	T835	G833-T835 PolarHBondContact O-N 3.34Å
834	D	72.6	Confident	67.5	Low	76 Å²	76	53.8 Å²	53.8	41%	0.406	27%	0.268	S	S	.	.			trans	-72.9	115.7	162.7	-176.1	-3.7	0	0	0	109	A785 R836 I837	A785-D834 VanDerWaalsContact CB-O 3.28Å; A785-D834 WeakPolarHBondContact CB-O 3.3Å; D834-R836 PolarHBondContact O-N 3.16Å; D834-R836 VanDerWaalsContact OD1-CB 3.29Å; D834-R836 WeakPolarHBondContact OD1-CB 3.28Å; D834-R836 WeakPolarHBondContact OD1-CG 3.36Å; D834-R836 PolarHBondContact OD1-N 2.7Å; D834-I837 HydrophobicContact CB-CB 4.34Å; D834-I837 HydrophobicContact CB-CD1 4.25Å; D834-I837 HydrophobicContact CB-CG1 4.35Å; D834-I837 PolarHBondContact O-N 3.03Å; D834-I837 WeakPolarHBondContact OD2-CD1 3.41Å
835	T	72.8	Confident	68.7	Low	4 Å²	4	50.3 Å²	50.3	3%	0.025	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.6	176.6	49.7	0	0	0	0	113.4	L540 E545 C784 L832 G833	L540-T835 HydrophobicContact CD1-CG2 4.16Å; E545-T835 HydrophobicContact CB-CG2 4.43Å; E545-T835 HydrophobicContact CG-CG2 3.86Å; E545-T835 PolarHBondContact OE1-OG1 2.95Å; E545-T835 WeakPolarHBondContact OE2-CB 3.48Å; E545-T835 PolarHBondContact OE2-OG1 2.82Å; C784-T835 WeakPolarHBondContact CB-O 3.46Å; L832-T835 HydrophobicContact CD1-CG2 4.01Å; L832-T835 HydrophobicContact CD2-CG2 4.09Å; L832-T835 HydrophobicContact CG-CG2 4.28Å; G833-T835 PolarHBondContact O-N 3.34Å
836	R	77.2	Confident	69.7	Low	175 Å²	175	56.4 Å²	56.4	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.3	178.8	-54.9	-179.1	178.1	-134.9	-4.5	113.7	Y539 D834 Y876	Y539-R836 HydrophobicContact CE1-CB 4.29Å; D834-R836 PolarHBondContact O-N 3.16Å; D834-R836 VanDerWaalsContact OD1-CB 3.29Å; D834-R836 WeakPolarHBondContact OD1-CB 3.28Å; D834-R836 WeakPolarHBondContact OD1-CG 3.36Å; D834-R836 PolarHBondContact OD1-N 2.7Å; R836-Y876 WeakPolarHBondContact O-CD2 3.38Å; R836-Y876 WeakPolarHBondContact O-CE2 3.44Å
837	I	78.1	Confident	70.4	Confident	51 Å²	51	55.3 Å²	55.3	26%	0.262	28%	0.278	S	S	.	.			trans	-132.5	113.7	-176.6	-59.9	173.7	0	0	0	109.7	D834 R842	D834-I837 HydrophobicContact CB-CB 4.34Å; D834-I837 HydrophobicContact CB-CD1 4.25Å; D834-I837 HydrophobicContact CB-CG1 4.35Å; D834-I837 PolarHBondContact O-N 3.03Å; D834-I837 WeakPolarHBondContact OD2-CD1 3.41Å; I837-R842 VanDerWaalsContact CG2-CZ 3.43Å
838	S	79	Confident	71.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.			trans	-85.4	110.7	163.6	-179.5	0	0	0	0	110	W537 E789 T840 K841 R842 Y876	W537-S838 VanDerWaalsContact CE3-OG 3.22Å; W537-S838 WeakPolarHBondContact CZ3-OG 3.22Å; E789-S838 PolarHBondContact OE1-OG 2.84Å; E789-S838 VanDerWaalsContact OE2-CB 3.32Å; E789-S838 WeakPolarHBondContact OE2-CB 3.32Å; E789-S838 PolarHBondContact OE2-OG 3.44Å; S838-T840 VanDerWaalsContact C-N 3.26Å; S838-T840 PolarHBondContact O-N 2.82Å; S838-K841 PolarHBondContact O-N 2.9Å; S838-K841 PolarHBondContact OG-N 2.83Å; S838-K841 VanDerWaalsContact OG-N 3.12Å; S838-R842 PolarHBondContact O-N 3.02Å; S838-Y876 VanDerWaalsContact N-CE1 3.25Å
839	E	75.9	Confident	71.1	Confident	82 Å²	82	55 Å²	55	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-31.9	173.6	179.7	52	-151.2	0	0	110.9	E789 R842 Q843	E789-E839 PolarHBondContact OE1-N 3.1Å; E839-R842 PolarHBondContact O-N 2.61Å; E839-R842 IonicContact OE2-NH1 3.95Å; E839-Q843 WeakPolarHBondContact O-CG 3.06Å; E839-Q843 PolarHBondContact O-N 3.46Å; E839-Q843 VanDerWaalsContact O-N 3.14Å; E839-Q843 PolarHBondContact OE1-NE2 2.97Å
840	T	75	Confident	71	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.043	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-42.7	172	-46.8	0	0	0	0	111.6	W537 E789 R793 S838 R842 Q843 L844	W537-T840 HydrophobicContact CH2-CG2 3.69Å; W537-T840 HydrophobicContact CZ2-CG2 4.06Å; E789-T840 VanDerWaalsContact CD-OG1 3.23Å; E789-T840 WeakPolarHBondContact CG-OG1 3.09Å; E789-T840 WeakPolarHBondContact OE1-CB 3.39Å; E789-T840 PolarHBondContact OE1-N 2.91Å; E789-T840 PolarHBondContact OE1-OG1 3.33Å; R793-T840 HydrophobicContact CG-CG2 4.07Å; R793-T840 PolarHBondContact NE-OG1 3.23Å; R793-T840 PolarHBondContact NH2-OG1 2.9Å; R793-T840 VanDerWaalsContact NH2-OG1 3.08Å; S838-T840 VanDerWaalsContact C-N 3.26Å; S838-T840 PolarHBondContact O-N 2.82Å; T840-R842 VanDerWaalsContact C-N 3.34Å; T840-R842 PolarHBondContact O-N 3.27Å; T840-Q843 PolarHBondContact O-N 2.98Å; T840-L844 HydrophobicContact CG2-CD1 3.98Å; T840-L844 HydrophobicContact CG2-CG 4.41Å; T840-L844 VanDerWaalsContact O-CG 3.23Å; T840-L844 WeakPolarHBondContact O-CG 3.34Å; T840-L844 PolarHBondContact O-N 3.14Å
841	K	81.2	Confident	71.1	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.096	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-47	175.1	176.7	171.3	163.8	56.8	0	111.2	W537 S838 Q843 L844 D845 Y876 L878	W537-K841 HydrophobicContact CD2-CB 4.19Å; W537-K841 HydrophobicContact CG-CB 4.13Å; W537-K841 HydrophobicContact CG-CD 4.29Å; S838-K841 PolarHBondContact O-N 2.9Å; S838-K841 PolarHBondContact OG-N 2.83Å; S838-K841 VanDerWaalsContact OG-N 3.12Å; K841-Q843 VanDerWaalsContact C-N 3.35Å; K841-Q843 PolarHBondContact O-N 2.93Å; K841-L844 CarbonylContact O-C 3.59Å; K841-L844 PolarHBondContact O-N 2.85Å; K841-L844 VanDerWaalsContact O-N 3.1Å; K841-D845 WeakPolarHBondContact CE-OD2 3.45Å; K841-D845 WeakPolarHBondContact CG-OD2 3.45Å; K841-D845 IonicContact NZ-OD1 3.28Å; K841-D845 PolarHBondContact NZ-OD1 3.11Å; K841-D845 IonicContact NZ-OD2 3.84Å; K841-D845 PolarHBondContact NZ-OD2 3.13Å; K841-D845 PolarHBondContact O-N 2.79Å; K841-Y876 HydrophobicContact CB-CD1 4.22Å; K841-Y876 HydrophobicContact CB-CE1 4.05Å; K841-Y876 HydrophobicContact CD-CD1 3.8Å; K841-Y876 HydrophobicContact CD-CE1 3.96Å; K841-Y876 HydrophobicContact CG-CD1 4.47Å; K841-Y876 HydrophobicContact CG-CE1 4.3Å; K841-L878 PolarHBondContact NZ-O 2.8Å
842	R	80.5	Confident	70.9	Confident	103 Å²	103	61.9 Å²	61.9	39%	0.389	33%	0.328	S	S	.	.	H	α-helix	trans	-56.3	-47.6	179.7	-72.2	175.4	166.8	-174.9	-6.1	112.3	I837 S838 E839 T840 L844 D845 M846	I837-R842 VanDerWaalsContact CG2-CZ 3.43Å; S838-R842 PolarHBondContact O-N 3.02Å; E839-R842 PolarHBondContact O-N 2.61Å; E839-R842 IonicContact OE2-NH1 3.95Å; T840-R842 VanDerWaalsContact C-N 3.34Å; T840-R842 PolarHBondContact O-N 3.27Å; R842-L844 VanDerWaalsContact C-N 3.3Å; R842-L844 PolarHBondContact O-N 3.03Å; R842-D845 PolarHBondContact O-N 3.22Å; R842-M846 VanDerWaalsContact O-CG 3.32Å; R842-M846 WeakPolarHBondContact O-CG 3.36Å; R842-M846 PolarHBondContact O-N 2.9Å
843	Q	73.3	Confident	70.7	Confident	51 Å²	51	65 Å²	65	24%	0.238	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-37.9	177.6	-66.9	172	7.6	0	0	111.7	E839 T840 K841 L847	E839-Q843 WeakPolarHBondContact O-CG 3.06Å; E839-Q843 PolarHBondContact O-N 3.46Å; E839-Q843 VanDerWaalsContact O-N 3.14Å; E839-Q843 PolarHBondContact OE1-NE2 2.97Å; T840-Q843 PolarHBondContact O-N 2.98Å; K841-Q843 VanDerWaalsContact C-N 3.35Å; K841-Q843 PolarHBondContact O-N 2.93Å; Q843-L847 WeakPolarHBondContact O-CB 3.49Å; Q843-L847 VanDerWaalsContact O-CG 3.23Å; Q843-L847 WeakPolarHBondContact O-CG 3.34Å; Q843-L847 PolarHBondContact O-N 3.3Å
844	L	73.5	Confident	70.5	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-74.1	-33.9	176.8	-65.9	172.4	0	0	0	113.8	W537 T840 K841 R842 L847 H848 M884	W537-L844 HydrophobicContact CZ2-CD1 4.09Å; T840-L844 HydrophobicContact CG2-CD1 3.98Å; T840-L844 HydrophobicContact CG2-CG 4.41Å; T840-L844 VanDerWaalsContact O-CG 3.23Å; T840-L844 WeakPolarHBondContact O-CG 3.34Å; T840-L844 PolarHBondContact O-N 3.14Å; K841-L844 CarbonylContact O-C 3.59Å; K841-L844 PolarHBondContact O-N 2.85Å; K841-L844 VanDerWaalsContact O-N 3.1Å; R842-L844 VanDerWaalsContact C-N 3.3Å; R842-L844 PolarHBondContact O-N 3.03Å; L844-L847 HydrophobicContact CD2-CD1 4.47Å; L844-L847 PolarHBondContact O-N 2.89Å; L844-H848 WeakPolarHBondContact O-CB 3.44Å; L844-H848 PolarHBondContact O-CD2 2.75Å; L844-H848 PolarHBondContact O-N 3.3Å; L844-M884 HydrophobicContact CD1-CE 3.77Å; L844-M884 HydrophobicContact CD1-SD 3.49Å; L844-M884 WeakPolarHBondContact CD1-SD 3.4Å; L844-M884 HydrophobicContact CD2-CE 3.3Å; L844-M884 HydrophobicContact CD2-SD 3.58Å; L844-M884 VanDerWaalsContact CD2-SD 3.58Å; L844-M884 HydrophobicContact CG-CE 4.14Å; L844-M884 HydrophobicContact CG-SD 4.16Å
845	D	75.9	Confident	69.7	Low	47 Å²	47	68.4 Å²	68.4	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-65.4	-49	174	-65.6	-16.4	0	0	0	109.2	K841 R842 L847 H848 D849	K841-D845 WeakPolarHBondContact CE-OD2 3.45Å; K841-D845 WeakPolarHBondContact CG-OD2 3.45Å; K841-D845 IonicContact NZ-OD1 3.28Å; K841-D845 PolarHBondContact NZ-OD1 3.11Å; K841-D845 IonicContact NZ-OD2 3.84Å; K841-D845 PolarHBondContact NZ-OD2 3.13Å; K841-D845 PolarHBondContact O-N 2.79Å; R842-D845 PolarHBondContact O-N 3.22Å; D845-L847 PolarHBondContact O-N 3.17Å; D845-H848 CarbonylContact O-C 3.53Å; D845-H848 PolarHBondContact O-N 2.85Å; D845-D849 WeakPolarHBondContact O-CA 3.41Å; D845-D849 WeakPolarHBondContact O-CB 3.2Å; D845-D849 PolarHBondContact O-N 3.18Å
846	M	72.8	Confident	69.3	Low	148 Å²	148	70.4 Å²	70.4	73%	0.729	36%	0.357	S	S	*	.	H	α-helix	trans	-54.7	-39	172.1	-67.3	171.1	-177.7	0	0	112.7	R842	R842-M846 VanDerWaalsContact O-CG 3.32Å; R842-M846 WeakPolarHBondContact O-CG 3.36Å; R842-M846 PolarHBondContact O-N 2.9Å
847	L	66.7	Low	68.5	Low	67 Å²	67	66.6 Å²	66.6	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-73.6	-25.7	176.5	-73.1	168.8	0	0	0	113.4	Q843 L844 D845 K887	Q843-L847 WeakPolarHBondContact O-CB 3.49Å; Q843-L847 VanDerWaalsContact O-CG 3.23Å; Q843-L847 WeakPolarHBondContact O-CG 3.34Å; Q843-L847 PolarHBondContact O-N 3.3Å; L844-L847 HydrophobicContact CD2-CD1 4.47Å; L844-L847 PolarHBondContact O-N 2.89Å; D845-L847 PolarHBondContact O-N 3.17Å; L847-K887 WeakPolarHBondContact O-CD 3.4Å; L847-K887 WeakPolarHBondContact O-CE 3.45Å; L847-K887 PolarHBondContact O-NZ 2.79Å
848	H	69.8	Low	68	Low	19 Å²	19	67 Å²	67	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-128.1	13.6	-169.1	-56.3	-54.9	0	0	0	115.9	L844 D845 G850 S851 L883	L844-H848 WeakPolarHBondContact O-CB 3.44Å; L844-H848 PolarHBondContact O-CD2 2.75Å; L844-H848 PolarHBondContact O-N 3.3Å; D845-H848 CarbonylContact O-C 3.53Å; D845-H848 PolarHBondContact O-N 2.85Å; H848-G850 PolarHBondContact O-N 2.87Å; H848-S851 PolarHBondContact O-N 2.92Å; H848-S851 PolarHBondContact O-OG 3.33Å; H848-L883 HydrophobicContact CB-CD1 4.29Å; H848-L883 PolarHBondContact CE1-O 3.48Å; H848-L883 PolarHBondContact NE2-O 3.06Å
849	D	59.7	Low	67.7	Low	140 Å²	140	67.6 Å²	67.6	75%	0.749	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-25.5	-174.9	-150	31.6	0	0	0	115.3	D845	D845-D849 WeakPolarHBondContact O-CA 3.41Å; D845-D849 WeakPolarHBondContact O-CB 3.2Å; D845-D849 PolarHBondContact O-N 3.18Å
850	G	57.2	Low	67.4	Low	71 Å²	71	64.9 Å²	64.9	73%	0.732	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	21	179.5	0	0	0	0	0	116	H848	H848-G850 PolarHBondContact O-N 2.87Å
851	S	59.6	Low	67.2	Low	25 Å²	25	68.7 Å²	68.7	18%	0.175	38%	0.383	C	S	.	.			trans	-82	127.9	-174.7	78.9	0	0	0	0	113.9	H848 R853 W854 L883	H848-S851 PolarHBondContact O-N 2.92Å; H848-S851 PolarHBondContact O-OG 3.33Å; S851-R853 PolarHBondContact O-N 2.88Å; S851-W854 VanDerWaalsContact O-CD1 3.28Å; S851-W854 PolarHBondContact O-N 3.04Å; S851-L883 WeakPolarHBondContact OG-CD1 3.39Å
852	D	57.8	Low	67	Low	140 Å²	140	68.5 Å²	68.5	75%	0.749	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-54.9	-21.9	-179.5	-65	-48.8	0	0	0	115.1	W854 S855	D852-W854 PolarHBondContact O-N 3.21Å; D852-W854 VanDerWaalsContact O-N 3.08Å; D852-S855 WeakPolarHBondContact O-CB 3.47Å; D852-S855 PolarHBondContact O-N 2.7Å; D852-S855 PolarHBondContact O-OG 3.1Å
853	R	60.9	Low	66.9	Low	93 Å²	93	64.1 Å²	64.1	35%	0.351	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-58.2	-23.7	-177.6	-71.5	-163.3	178.7	-150.7	5.7	114.2	S851 S855 F880 D882 L883	S851-R853 PolarHBondContact O-N 2.88Å; R853-S855 PolarHBondContact O-N 3.35Å; R853-F880 HydrophobicContact CB-CD2 4.21Å; R853-F880 HydrophobicContact CB-CE2 3.97Å; R853-F880 HydrophobicContact CB-CZ 4.32Å; R853-D882 IonicContact CZ-OD2 2.74Å; R853-D882 IonicContact NH1-OD2 3.15Å; R853-D882 PolarHBondContact NH1-OD2 3.22Å; R853-D882 IonicContact NH2-OD2 2.71Å; R853-L883 HydrophobicContact CG-CD2 4.31Å
854	W	61.2	Low	67	Low	98 Å²	98	69 Å²	69	37%	0.371	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-68.5	-21.4	173.9	-62.4	110.3	0	0	0	113.2	S851 D852 L863 L878 F880	S851-W854 VanDerWaalsContact O-CD1 3.28Å; S851-W854 PolarHBondContact O-N 3.04Å; D852-W854 PolarHBondContact O-N 3.21Å; D852-W854 VanDerWaalsContact O-N 3.08Å; W854-L863 HydrophobicContact CE3-CD1 4.43Å; W854-L878 HydrophobicContact CH2-CB 4.06Å; W854-L878 HydrophobicContact CZ3-CB 4.28Å; W854-F880 AromaticContact CD2-CE2 3.73Å; W854-F880 HydrophobicContact CD2-CE2 3.73Å; W854-F880 AromaticContact CE2-CE2 3.87Å; W854-F880 AromaticContact CE3-CE2 3.82Å; W854-F880 HydrophobicContact CE3-CE2 3.82Å; W854-F880 HydrophobicContact CE3-CZ 4.28Å; W854-F880 HydrophobicContact CG-CE2 4.31Å; W854-F880 HydrophobicContact CH2-CE2 4.2Å; W854-F880 HydrophobicContact CZ2-CD2 4.31Å; W854-F880 HydrophobicContact CZ2-CE2 4.11Å; W854-F880 HydrophobicContact CZ3-CE2 4.06Å; W854-F880 HydrophobicContact CZ3-CZ 4.49Å
855	S	54.7	Low	67.4	Low	89 Å²	89	70.3 Å²	70.3	62%	0.622	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-90.7	-4.7	-179.2	75.1	0	0	0	0	114.7	D852 R853 S857	D852-S855 WeakPolarHBondContact O-CB 3.47Å; D852-S855 PolarHBondContact O-N 2.7Å; D852-S855 PolarHBondContact O-OG 3.1Å; R853-S855 PolarHBondContact O-N 3.35Å; S855-S857 PolarHBondContact O-N 2.71Å
856	D	64.8	Low	67.6	Low	45 Å²	45	68.1 Å²	68.1	24%	0.241	38%	0.381	C	S	.	.			trans	-61.3	107.6	-175.4	-169.1	-24.1	0	0	0	111.4	R530 S858 I859 S860	R530-D856 IonicContact CZ-OD1 2.7Å; R530-D856 IonicContact CZ-OD2 3.66Å; R530-D856 IonicContact NH1-OD1 2.67Å; R530-D856 PolarHBondContact NH1-OD1 3.37Å; R530-D856 IonicContact NH1-OD2 3.31Å; R530-D856 PolarHBondContact NH1-OD2 2.98Å; D856-S858 PolarHBondContact O-N 3.45Å; D856-S858 PolarHBondContact OD1-N 2.94Å; D856-S858 PolarHBondContact OD1-OG 3.04Å; D856-S858 VanDerWaalsContact OD1-OG 3.14Å; D856-I859 HydrophobicContact CB-CG1 4.4Å; D856-I859 PolarHBondContact O-N 3.06Å; D856-S860 WeakPolarHBondContact O-CB 3.34Å; D856-S860 PolarHBondContact O-N 3.47Å
857	S	61	Low	67.8	Low	96 Å²	96	64.6 Å²	64.6	67%	0.671	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.9	-174.1	-179	0	0	0	0	113.5	S855 I859 S860 P861	S855-S857 PolarHBondContact O-N 2.71Å; S857-I859 PolarHBondContact O-N 3.05Å; S857-S860 PolarHBondContact O-OG 3.12Å; S857-P861 WeakPolarHBondContact O-CD 3.4Å
858	S	67.1	Low	68.4	Low	58 Å²	58	62.9 Å²	62.9	41%	0.406	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-26.9	-177.2	69.7	0	0	0	0	114.1	R530 D856	R530-S858 VanDerWaalsContact CZ-OG 3.29Å; R530-S858 PolarHBondContact NH1-OG 2.8Å; R530-S858 VanDerWaalsContact NH2-CB 3.33Å; R530-S858 PolarHBondContact NH2-OG 3.38Å; D856-S858 PolarHBondContact O-N 3.45Å; D856-S858 PolarHBondContact OD1-N 2.94Å; D856-S858 PolarHBondContact OD1-OG 3.04Å; D856-S858 VanDerWaalsContact OD1-OG 3.14Å
859	I	74	Confident	68.5	Low	13 Å²	13	67.3 Å²	67.3	7%	0.067	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-25.8	-175.9	-33.6	-173.8	0	0	0	110.5	T532 D856 S857 P861 H862 L863	T532-I859 HydrophobicContact CG2-CD1 3.77Å; T532-I859 WeakPolarHBondContact OG1-CD1 3.39Å; D856-I859 HydrophobicContact CB-CG1 4.4Å; D856-I859 PolarHBondContact O-N 3.06Å; S857-I859 PolarHBondContact O-N 3.05Å; I859-P861 VanDerWaalsContact C-N 3.32Å; I859-P861 WeakPolarHBondContact O-CD 3.43Å; I859-P861 VanDerWaalsContact O-N 3.13Å; I859-H862 CarbonylContact O-C 3.56Å; I859-H862 WeakPolarHBondContact O-CA 3.37Å; I859-H862 WeakPolarHBondContact O-CB 3.25Å; I859-H862 PolarHBondContact O-N 2.8Å; I859-L863 HydrophobicContact CB-CD1 4.4Å; I859-L863 HydrophobicContact CB-CG 4.46Å; I859-L863 HydrophobicContact CG2-CD1 4.38Å; I859-L863 HydrophobicContact CG2-CD2 4.35Å; I859-L863 HydrophobicContact CG2-CG 4.01Å; I859-L863 PolarHBondContact O-N 2.99Å
860	S	68.2	Low	69.1	Low	26 Å²	26	64.4 Å²	64.4	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-49.1	-36.6	-179.3	78	0	0	0	0	115.7	D856 S857 H862 K864	D856-S860 WeakPolarHBondContact O-CB 3.34Å; D856-S860 PolarHBondContact O-N 3.47Å; S857-S860 PolarHBondContact O-OG 3.12Å; S860-H862 VanDerWaalsContact C-N 3.33Å; S860-H862 PolarHBondContact O-N 2.87Å; S860-K864 WeakPolarHBondContact O-CB 3.38Å; S860-K864 WeakPolarHBondContact O-CG 3.41Å; S860-K864 PolarHBondContact O-N 3.21Å
861	P	71.6	Confident	70.3	Confident	87 Å²	87	61.1 Å²	61.1	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-70.3	-33.3	176.4	-15.6	31.9	0	0	0	111.8	S857 I859 F865	S857-P861 WeakPolarHBondContact O-CD 3.4Å; I859-P861 VanDerWaalsContact C-N 3.32Å; I859-P861 WeakPolarHBondContact O-CD 3.43Å; I859-P861 VanDerWaalsContact O-N 3.13Å; P861-F865 PolarHBondContact O-N 3.24Å; P861-F865 VanDerWaalsContact O-N 3.12Å
862	H	76.5	Confident	71.2	Confident	18 Å²	18	65.7 Å²	65.7	8%	0.083	37%	0.367	C	S	.	.	H	α-helix	trans	-81.1	-34.7	179.4	-167.5	67.7	0	0	0	112	F643 Y779 I859 S860 K864 F865 L866	F643-H862 AromaticContact CE1-CE1 3.81Å; Y779-H862 AromaticContact CE1-NE2 3.4Å; Y779-H862 WeakPolarHBondContact CE1-NE2 3.28Å; Y779-H862 AromaticContact CZ-NE2 3.47Å; Y779-H862 PolarHBondContact OH-CD2 3.35Å; Y779-H862 PolarHBondContact OH-CE1 3.31Å; Y779-H862 PolarHBondContact OH-NE2 3.47Å; I859-H862 CarbonylContact O-C 3.56Å; I859-H862 WeakPolarHBondContact O-CA 3.37Å; I859-H862 WeakPolarHBondContact O-CB 3.25Å; I859-H862 PolarHBondContact O-N 2.8Å; S860-H862 VanDerWaalsContact C-N 3.33Å; S860-H862 PolarHBondContact O-N 2.87Å; H862-K864 VanDerWaalsContact C-N 3.32Å; H862-F865 WeakPolarHBondContact O-CB 3.34Å; H862-F865 PolarHBondContact O-N 3.14Å; H862-L866 WeakPolarHBondContact O-CG 3.47Å; H862-L866 PolarHBondContact O-N 2.95Å
863	L	78.4	Confident	72.3	Confident	11 Å²	11	66.7 Å²	66.7	6%	0.058	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-41.8	167.6	-63.7	172.8	0	0	0	110.8	I534 W854 I859 F865 L866 S867 L878 F880	I534-L863 HydrophobicContact CD1-CD2 3.93Å; W854-L863 HydrophobicContact CE3-CD1 4.43Å; I859-L863 HydrophobicContact CB-CD1 4.4Å; I859-L863 HydrophobicContact CB-CG 4.46Å; I859-L863 HydrophobicContact CG2-CD1 4.38Å; I859-L863 HydrophobicContact CG2-CD2 4.35Å; I859-L863 HydrophobicContact CG2-CG 4.01Å; I859-L863 PolarHBondContact O-N 2.99Å; L863-F865 VanDerWaalsContact C-N 3.3Å; L863-F865 PolarHBondContact O-N 3.42Å; L863-L866 PolarHBondContact O-N 2.85Å; L863-S867 WeakPolarHBondContact O-CB 3.32Å; L863-S867 PolarHBondContact O-N 2.73Å; L863-S867 PolarHBondContact O-OG 2.71Å; L863-L878 HydrophobicContact CD2-CD1 3.91Å; L863-F880 HydrophobicContact CD1-CZ 3.95Å; L863-F880 HydrophobicContact CD2-CE1 4.35Å; L863-F880 HydrophobicContact CD2-CZ 4.11Å
864	K	76.3	Confident	73.3	Confident	153 Å²	153	62.6 Å²	62.6	67%	0.665	35%	0.352	S	S	*	.	H	α-helix	trans	-61.7	-33.9	173.1	-75.7	169.9	-178.5	177.7	0	113.1	S860 H862 S868	S860-K864 WeakPolarHBondContact O-CB 3.38Å; S860-K864 WeakPolarHBondContact O-CG 3.41Å; S860-K864 PolarHBondContact O-N 3.21Å; H862-K864 VanDerWaalsContact C-N 3.32Å; K864-S868 WeakPolarHBondContact O-CB 3.22Å; K864-S868 PolarHBondContact O-N 3.09Å; K864-S868 VanDerWaalsContact O-N 3.14Å
865	F	80.4	Confident	74.4	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-50	170.3	167.9	-99.8	0	0	0	112	L639 Q642 P861 H862 L863 S867 S868 L871	L639-F865 HydrophobicContact CD1-CE1 4Å; Q642-F865 HydrophobicContact CB-CE1 3.96Å; Q642-F865 HydrophobicContact CB-CE2 3.72Å; Q642-F865 HydrophobicContact CB-CZ 3.4Å; Q642-F865 HydrophobicContact CG-CD1 4.08Å; Q642-F865 HydrophobicContact CG-CD2 3.82Å; Q642-F865 HydrophobicContact CG-CE1 3.79Å; Q642-F865 HydrophobicContact CG-CE2 3.52Å; Q642-F865 HydrophobicContact CG-CG 4.1Å; Q642-F865 HydrophobicContact CG-CZ 3.51Å; P861-F865 PolarHBondContact O-N 3.24Å; P861-F865 VanDerWaalsContact O-N 3.12Å; H862-F865 WeakPolarHBondContact O-CB 3.34Å; H862-F865 PolarHBondContact O-N 3.14Å; L863-F865 VanDerWaalsContact C-N 3.3Å; L863-F865 PolarHBondContact O-N 3.42Å; F865-S867 VanDerWaalsContact C-N 3.27Å; F865-S867 PolarHBondContact O-N 2.74Å; F865-S868 WeakPolarHBondContact O-CB 3.4Å; F865-S868 PolarHBondContact O-N 3.1Å; F865-S868 PolarHBondContact O-OG 3.07Å; F865-L871 HydrophobicContact CD1-CD1 4.19Å; F865-L871 HydrophobicContact CE1-CD1 3.61Å; F865-L871 HydrophobicContact CE2-CD1 4.4Å; F865-L871 HydrophobicContact CZ-CD1 3.72Å; F865-L871 HydrophobicContact CZ-CG 4.49Å
866	L	80.1	Confident	75.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-33.9	-178.4	-68.3	174.2	0	0	0	113	I534 L536 F635 L639 Y779 H862 L863 L871 L878	I534-L866 HydrophobicContact CD1-CD1 4.07Å; L536-L866 HydrophobicContact CD2-CD2 4.29Å; F635-L866 HydrophobicContact CE2-CD2 3.97Å; F635-L866 HydrophobicContact CZ-CD2 3.86Å; L639-L866 HydrophobicContact CD1-CD2 4.39Å; Y779-L866 HydrophobicContact CE1-CD1 4.16Å; H862-L866 WeakPolarHBondContact O-CG 3.47Å; H862-L866 PolarHBondContact O-N 2.95Å; L863-L866 PolarHBondContact O-N 2.85Å; L866-L871 HydrophobicContact CD2-CD1 4.32Å; L866-L878 HydrophobicContact CB-CD1 3.81Å; L866-L878 HydrophobicContact CB-CD2 4.08Å; L866-L878 HydrophobicContact CD1-CD1 4.29Å; L866-L878 HydrophobicContact CD1-CD2 4.47Å
867	S	77.4	Confident	76.7	Confident	74 Å²	74	55.5 Å²	55.5	52%	0.517	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.1	174.2	-57.7	0	0	0	0	113.9	L863 F865 L878	L863-S867 WeakPolarHBondContact O-CB 3.32Å; L863-S867 PolarHBondContact O-N 2.73Å; L863-S867 PolarHBondContact O-OG 2.71Å; F865-S867 VanDerWaalsContact C-N 3.27Å; F865-S867 PolarHBondContact O-N 2.74Å; S867-L878 WeakPolarHBondContact OG-CD1 3.36Å
868	S	79.8	Confident	77.9	Confident	31 Å²	31	51.1 Å²	51.1	22%	0.217	28%	0.282	C	S	.	.	S	Bend	trans	-71.7	156.9	-179.4	67.7	0	0	0	0	112.4	K864 F865 A870 L871 K872	K864-S868 WeakPolarHBondContact O-CB 3.22Å; K864-S868 PolarHBondContact O-N 3.09Å; K864-S868 VanDerWaalsContact O-N 3.14Å; F865-S868 WeakPolarHBondContact O-CB 3.4Å; F865-S868 PolarHBondContact O-N 3.1Å; F865-S868 PolarHBondContact O-OG 3.07Å; S868-A870 PolarHBondContact O-N 2.8Å; S868-L871 PolarHBondContact O-N 2.89Å; S868-K872 PolarHBondContact O-N 2.94Å
869	D	72.1	Confident	78.6	Confident	112 Å²	112	48.7 Å²	48.7	60%	0.599	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.8	175.3	-65.9	-68.5	0	0	0	113.2	L871 K872	D869-L871 VanDerWaalsContact C-N 3.31Å; D869-L871 PolarHBondContact O-N 3.38Å; D869-K872 HydrophobicContact CB-CD 4.47Å; D869-K872 WeakPolarHBondContact OD1-CD 3.43Å; D869-K872 IonicContact OD1-NZ 2.87Å; D869-K872 PolarHBondContact OD1-NZ 3.39Å
870	A	72.6	Confident	78.9	Confident	78 Å²	78	48.4 Å²	48.4	65%	0.645	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.5	174	0	0	0	0	0	114	S868	S868-A870 PolarHBondContact O-N 2.8Å
871	L	81.6	Confident	79.3	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-10.5	177.3	-77.6	175.5	0	0	0	113.9	F635 C638 F865 L866 S868 D869 H873 V874 V875	F635-L871 HydrophobicContact CD2-CD2 4.1Å; F635-L871 HydrophobicContact CE2-CD1 4.16Å; F635-L871 HydrophobicContact CE2-CD2 4.44Å; C638-L871 HydrophobicContact CB-CD2 3.79Å; F865-L871 HydrophobicContact CD1-CD1 4.19Å; F865-L871 HydrophobicContact CE1-CD1 3.61Å; F865-L871 HydrophobicContact CE2-CD1 4.4Å; F865-L871 HydrophobicContact CZ-CD1 3.72Å; F865-L871 HydrophobicContact CZ-CG 4.49Å; L866-L871 HydrophobicContact CD2-CD1 4.32Å; S868-L871 PolarHBondContact O-N 2.89Å; D869-L871 VanDerWaalsContact C-N 3.31Å; D869-L871 PolarHBondContact O-N 3.38Å; L871-H873 PolarHBondContact O-N 3.03Å; L871-H873 VanDerWaalsContact O-N 3.09Å; L871-V874 HydrophobicContact CD2-CB 4.36Å; L871-V874 HydrophobicContact CD2-CG2 4.3Å; L871-V874 CarbonylContact O-C 3.59Å; L871-V874 WeakPolarHBondContact O-CA 3.26Å; L871-V874 WeakPolarHBondContact O-CB 3.46Å; L871-V874 PolarHBondContact O-N 3.15Å; L871-V875 PolarHBondContact O-N 3.14Å
872	K	79.2	Confident	79.3	Confident	122 Å²	122	45.1 Å²	45.1	53%	0.53	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.9	176.6	-172.7	172.3	179.6	171.5	0	115.3	S868 D869	S868-K872 PolarHBondContact O-N 2.94Å; D869-K872 HydrophobicContact CB-CD 4.47Å; D869-K872 WeakPolarHBondContact OD1-CD 3.43Å; D869-K872 IonicContact OD1-NZ 2.87Å; D869-K872 PolarHBondContact OD1-NZ 3.39Å
873	H	80.2	Confident	78.7	Confident	160 Å²	160	45 Å²	45	74%	0.741	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.1	172.8	-63.4	-63.3	0	0	0	114.3	Y539 L871	Y539-H873 WeakPolarHBondContact CD2-O 3.19Å; L871-H873 PolarHBondContact O-N 3.03Å; L871-H873 VanDerWaalsContact O-N 3.09Å
874	V	82.4	Confident	78	Confident	8 Å²	8	45.9 Å²	45.9	5%	0.048	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-33.6	-174.7	-166.3	0	0	0	0	111.2	V538 Y539 L634 F635 L871	V538-V874 WeakPolarHBondContact CA-O 3.5Å; Y539-V874 VanDerWaalsContact CD2-C 3.41Å; Y539-V874 WeakPolarHBondContact CD2-O 3.46Å; Y539-V874 PolarHBondContact N-O 3.15Å; L634-V874 HydrophobicContact CB-CG1 4.24Å; L634-V874 HydrophobicContact CD2-CG1 4.24Å; L634-V874 HydrophobicContact CD2-CG2 3.76Å; L634-V874 HydrophobicContact CG-CG1 4.06Å; L634-V874 HydrophobicContact CG-CG2 3.85Å; F635-V874 HydrophobicContact CB-CG1 3.85Å; L871-V874 HydrophobicContact CD2-CB 4.36Å; L871-V874 HydrophobicContact CD2-CG2 4.3Å; L871-V874 CarbonylContact O-C 3.59Å; L871-V874 WeakPolarHBondContact O-CA 3.26Å; L871-V874 WeakPolarHBondContact O-CB 3.46Å; L871-V874 PolarHBondContact O-N 3.15Å
875	V	84.9	Confident	76.9	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.5	-174.2	178.4	0	0	0	0	109.4	L536 W537 F635 L871 G877 L878	L536-V875 HydrophobicContact CD2-CG1 4.08Å; L536-V875 HydrophobicContact CD2-CG2 4.16Å; W537-V875 CarbonylContact O-C 3.52Å; W537-V875 VanDerWaalsContact O-CA 3.3Å; W537-V875 WeakPolarHBondContact O-CA 3.31Å; F635-V875 HydrophobicContact CD2-CG2 3.66Å; F635-V875 HydrophobicContact CE2-CG2 4Å; L871-V875 PolarHBondContact O-N 3.14Å; V875-G877 VanDerWaalsContact C-N 3.32Å; V875-G877 WeakPolarHBondContact CG1-O 3.38Å; V875-L878 HydrophobicContact CG1-CD2 4.21Å
876	Y	84.3	Confident	75.6	Confident	63 Å²	63	43.2 Å²	43.2	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-34.3	171.4	-179.4	-124.6	0	0	0	111.8	W537 Y539 R836 S838 K841	W537-Y876 HydrophobicContact CB-CD1 4.45Å; W537-Y876 PolarHBondContact O-N 3.46Å; Y539-Y876 HydrophobicContact CE1-CD2 4.08Å; Y539-Y876 HydrophobicContact CE1-CG 4.24Å; Y539-Y876 WeakPolarHBondContact OH-CA 3.39Å; R836-Y876 WeakPolarHBondContact O-CD2 3.38Å; R836-Y876 WeakPolarHBondContact O-CE2 3.44Å; S838-Y876 VanDerWaalsContact N-CE1 3.25Å; K841-Y876 HydrophobicContact CB-CD1 4.22Å; K841-Y876 HydrophobicContact CB-CE1 4.05Å; K841-Y876 HydrophobicContact CD-CD1 3.8Å; K841-Y876 HydrophobicContact CD-CE1 3.96Å; K841-Y876 HydrophobicContact CG-CD1 4.47Å; K841-Y876 HydrophobicContact CG-CE1 4.3Å
877	G	83.4	Confident	74	Confident	12 Å²	12	49.4 Å²	49.4	12%	0.124	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-164.6	165.7	0	0	0	0	0	112.8	W537 V875	W537-G877 PolarHBondContact N-O 3.29Å; W537-G877 VanDerWaalsContact N-O 3.13Å; V875-G877 VanDerWaalsContact C-N 3.32Å; V875-G877 WeakPolarHBondContact CG1-O 3.38Å
878	L	85.2	Confident	72.5	Confident	4 Å²	4	52 Å²	52	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	154.1	-176.3	-48.7	179.7	0	0	0	111.1	I534 V535 L536 K841 W854 L863 L866 S867 V875	I534-L878 HydrophobicContact CG2-CB 4.34Å; I534-L878 HydrophobicContact CG2-CD2 4.12Å; V535-L878 WeakPolarHBondContact O-CA 3.32Å; L536-L878 HydrophobicContact CD2-CD2 3.38Å; L536-L878 HydrophobicContact CG-CD2 4.17Å; K841-L878 PolarHBondContact NZ-O 2.8Å; W854-L878 HydrophobicContact CH2-CB 4.06Å; W854-L878 HydrophobicContact CZ3-CB 4.28Å; L863-L878 HydrophobicContact CD2-CD1 3.91Å; L866-L878 HydrophobicContact CB-CD1 3.81Å; L866-L878 HydrophobicContact CB-CD2 4.08Å; L866-L878 HydrophobicContact CD1-CD1 4.29Å; L866-L878 HydrophobicContact CD1-CD2 4.47Å; S867-L878 WeakPolarHBondContact OG-CD1 3.36Å; V875-L878 HydrophobicContact CG1-CD2 4.21Å
879	S	82.1	Confident	70.7	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.1	163.4	-51.6	0	0	0	0	109.2	V535 W537	V535-S879 WeakPolarHBondContact CB-O 3.3Å; V535-S879 PolarHBondContact N-O 3.48Å; V535-S879 PolarHBondContact O-N 3.04Å; V535-S879 VanDerWaalsContact O-N 3.17Å; W537-S879 PolarHBondContact NE1-OG 3.27Å
880	F	80	Confident	69.1	Low	7 Å²	7	56.1 Å²	56.1	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.9	177.4	-67.9	-74.7	0	0	0	111.7	T532 E533 I534 R853 W854 L863 D882 L883	T532-F880 HydrophobicContact CG2-CD1 3.93Å; T532-F880 HydrophobicContact CG2-CE1 3.77Å; E533-F880 WeakPolarHBondContact O-CA 3.31Å; I534-F880 HydrophobicContact CG1-CD1 4.33Å; I534-F880 HydrophobicContact CG1-CE1 4.19Å; R853-F880 HydrophobicContact CB-CD2 4.21Å; R853-F880 HydrophobicContact CB-CE2 3.97Å; R853-F880 HydrophobicContact CB-CZ 4.32Å; W854-F880 AromaticContact CD2-CE2 3.73Å; W854-F880 HydrophobicContact CD2-CE2 3.73Å; W854-F880 AromaticContact CE2-CE2 3.87Å; W854-F880 AromaticContact CE3-CE2 3.82Å; W854-F880 HydrophobicContact CE3-CE2 3.82Å; W854-F880 HydrophobicContact CE3-CZ 4.28Å; W854-F880 HydrophobicContact CG-CE2 4.31Å; W854-F880 HydrophobicContact CH2-CE2 4.2Å; W854-F880 HydrophobicContact CZ2-CD2 4.31Å; W854-F880 HydrophobicContact CZ2-CE2 4.11Å; W854-F880 HydrophobicContact CZ3-CE2 4.06Å; W854-F880 HydrophobicContact CZ3-CZ 4.49Å; L863-F880 HydrophobicContact CD1-CZ 3.95Å; L863-F880 HydrophobicContact CD2-CE1 4.35Å; L863-F880 HydrophobicContact CD2-CZ 4.11Å; F880-D882 VanDerWaalsContact C-N 3.27Å; F880-D882 PolarHBondContact O-N 3.26Å; F880-L883 HydrophobicContact CB-CB 4.23Å; F880-L883 HydrophobicContact CB-CD1 3.87Å; F880-L883 HydrophobicContact CB-CG 3.83Å; F880-L883 HydrophobicContact CD2-CD1 3.81Å; F880-L883 HydrophobicContact CG-CD1 4.25Å; F880-L883 PolarHBondContact O-N 3.05Å; F880-L883 VanDerWaalsContact O-N 3.11Å
881	H	77.5	Confident	67.4	Low	8 Å²	8	58.5 Å²	58.5	4%	0.037	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.9	-177	-179.4	64.4	0	0	0	113.3	E533 V535 Y792 M884 F885	E533-H881 HydrophobicContact CB-CB 3.75Å; E533-H881 PolarHBondContact O-N 2.81Å; E533-H881 IonicContact OE2-CD2 2.72Å; E533-H881 PolarHBondContact OE2-CD2 3.28Å; V535-H881 HydrophobicContact CG2-CB 4.01Å; Y792-H881 AromaticContact CE2-CE1 3.88Å; Y792-H881 AromaticContact CE2-ND1 3.53Å; Y792-H881 AromaticContact CZ-ND1 3.66Å; Y792-H881 PolarHBondContact OH-ND1 2.9Å; H881-M884 WeakPolarHBondContact O-CB 3.42Å; H881-M884 WeakPolarHBondContact O-CG 3.5Å; H881-F885 WeakPolarHBondContact O-CE2 3.33Å
882	D	70.6	Confident	65.2	Low	36 Å²	36	66.4 Å²	66.4	19%	0.193	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.8	173.9	-52	-56.9	0	0	0	113	K531 R853 F880 M884	K531-D882 WeakPolarHBondContact CE-OD1 3.46Å; K531-D882 IonicContact NZ-OD1 2.69Å; K531-D882 PolarHBondContact NZ-OD1 3.21Å; R853-D882 IonicContact CZ-OD2 2.74Å; R853-D882 IonicContact NH1-OD2 3.15Å; R853-D882 PolarHBondContact NH1-OD2 3.22Å; R853-D882 IonicContact NH2-OD2 2.71Å; F880-D882 VanDerWaalsContact C-N 3.27Å; F880-D882 PolarHBondContact O-N 3.26Å; D882-M884 VanDerWaalsContact C-N 3.32Å
883	L	64.8	Low	63.5	Low	15 Å²	15	62.4 Å²	62.4	8%	0.079	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-76.4	-21.1	-178.9	-68.7	-177.8	0	0	0	112.9	H848 S851 R853 F880 F885 S886	H848-L883 HydrophobicContact CB-CD1 4.29Å; H848-L883 PolarHBondContact CE1-O 3.48Å; H848-L883 PolarHBondContact NE2-O 3.06Å; S851-L883 WeakPolarHBondContact OG-CD1 3.39Å; R853-L883 HydrophobicContact CG-CD2 4.31Å; F880-L883 HydrophobicContact CB-CB 4.23Å; F880-L883 HydrophobicContact CB-CD1 3.87Å; F880-L883 HydrophobicContact CB-CG 3.83Å; F880-L883 HydrophobicContact CD2-CD1 3.81Å; F880-L883 HydrophobicContact CG-CD1 4.25Å; F880-L883 PolarHBondContact O-N 3.05Å; F880-L883 VanDerWaalsContact O-N 3.11Å; L883-F885 PolarHBondContact O-N 3.39Å; L883-S886 WeakPolarHBondContact O-CB 3.44Å; L883-S886 PolarHBondContact O-N 3.32Å; L883-S886 PolarHBondContact O-OG 2.85Å
884	M	62.8	Low	61.8	Low	31 Å²	31	58.5 Å²	58.5	15%	0.153	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-46.8	-18.1	173.9	-55.3	-67.2	-41.7	0	0	115	Y792 I796 L844 H881 D882	Y792-M884 HydrophobicContact CE1-SD 4.5Å; Y792-M884 PolarHBondContact OH-SD 2.98Å; Y792-M884 VanDerWaalsContact OH-SD 3.34Å; I796-M884 HydrophobicContact CD1-CE 3.24Å; I796-M884 HydrophobicContact CD1-SD 4.47Å; I796-M884 HydrophobicContact CG1-CE 3.81Å; I796-M884 HydrophobicContact CG2-CB 4.46Å; I796-M884 HydrophobicContact CG2-CE 3.99Å; L844-M884 HydrophobicContact CD1-CE 3.77Å; L844-M884 HydrophobicContact CD1-SD 3.49Å; L844-M884 WeakPolarHBondContact CD1-SD 3.4Å; L844-M884 HydrophobicContact CD2-CE 3.3Å; L844-M884 HydrophobicContact CD2-SD 3.58Å; L844-M884 VanDerWaalsContact CD2-SD 3.58Å; L844-M884 HydrophobicContact CG-CE 4.14Å; L844-M884 HydrophobicContact CG-SD 4.16Å; H881-M884 WeakPolarHBondContact O-CB 3.42Å; H881-M884 WeakPolarHBondContact O-CG 3.5Å; D882-M884 VanDerWaalsContact C-N 3.32Å
885	F	54	Low	60.4	Low	63 Å²	63	60.6 Å²	60.6	28%	0.276	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-116.1	12.5	-176.8	-47.1	-79	0	0	0	113.2	I796 D799 H881 L883	I796-F885 HydrophobicContact CG2-CE1 4.49Å; D799-F885 HydrophobicContact CB-CE1 4.02Å; D799-F885 HydrophobicContact CB-CZ 4.07Å; H881-F885 WeakPolarHBondContact O-CE2 3.33Å; L883-F885 PolarHBondContact O-N 3.39Å
886	S	52.9	Low	59	Low	66 Å²	66	65.9 Å²	65.9	46%	0.462	37%	0.365	S	S	.	.	S	Bend	trans	-117.4	9.4	-163.5	91.3	0	0	0	0	116.9	L883	L883-S886 WeakPolarHBondContact O-CB 3.44Å; L883-S886 PolarHBondContact O-N 3.32Å; L883-S886 PolarHBondContact O-OG 2.85Å
887	K	46.8	Very low	57.9	Low	131 Å²	131	65.9 Å²	65.9	57%	0.57	37%	0.371	S	S	*	.			trans	-127.9	137.4	166.4	-84.1	-151.9	-173.3	157.1	0	110.4	L847	L847-K887 WeakPolarHBondContact O-CD 3.4Å; L847-K887 WeakPolarHBondContact O-CE 3.45Å; L847-K887 PolarHBondContact O-NZ 2.79Å
888	E	45.7	Very low	57	Low	128 Å²	128	70.8 Å²	70.8	60%	0.598	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-92.8	144.9	-177.7	-61.8	171.5	-176.3	0	0	110
889	S	42.1	Very low	55.8	Low	65 Å²	65	78 Å²	78	46%	0.455	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-85.1	139.9	166.5	54.5	0	0	0	0	110.2
890	I	38.8	Very low	54.9	Low	166 Å²	166	81.1 Å²	81.1	85%	0.851	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-59.5	143.9	179.3	-60.6	172.1	0	0	0	110.5	D892	I890-D892 PolarHBondContact O-N 2.85Å; I890-D892 VanDerWaalsContact O-N 3.16Å
891	N	35.5	Very low	54.1	Low	127 Å²	127	84.8 Å²	84.8	68%	0.679	46%	0.458	S	S	*	.			trans	-67.5	104.2	-170.8	-81.1	-53.3	0	0	0	114.4
892	D	37.1	Very low	53.8	Low	168 Å²	168	89.2 Å²	89.2	90%	0.898	48%	0.481	S	S	*	.			trans	-104.8	89	162	-87.5	-30.9	0	0	0	110.7	I890	I890-D892 PolarHBondContact O-N 2.85Å; I890-D892 VanDerWaalsContact O-N 3.16Å
893	G	42.1	Very low	53.8	Low	39 Å²	39	93.2 Å²	93.2	40%	0.402	50%	0.495	S	S	.	.			trans	167.9	10.8	176.5	0	0	0	0	0	121.6
894	A	45.7	Very low	53.9	Low	78 Å²	78	92.8 Å²	92.8	65%	0.645	49%	0.493	S	S	*	.			trans	-55.1	142.6	175.2	0	0	0	0	0	111.5	R482 D896	R482-A894 PolarHBondContact NH2-O 2.83Å; A894-D896 PolarHBondContact O-N 3.32Å
895	I	52.5	Low	54.4	Low	51 Å²	51	95.6 Å²	95.6	26%	0.262	51%	0.507	S	S	.	.			trans	-88.8	103.6	-177.8	-47.3	167.5	0	0	0	109.2	V486 L490 E900 K901	V486-I895 HydrophobicContact CG1-CD1 3.5Å; V486-I895 HydrophobicContact CG1-CG1 3.9Å; V486-I895 HydrophobicContact CG2-CD1 4.41Å; V486-I895 HydrophobicContact CG2-CG1 3.95Å; L490-I895 HydrophobicContact CD1-CD1 4.47Å; I895-E900 HydrophobicContact CG2-CB 3.91Å; I895-K901 HydrophobicContact CB-CG 4.07Å; I895-K901 HydrophobicContact CD1-CG 4.13Å; I895-K901 HydrophobicContact CG2-CD 4.42Å; I895-K901 HydrophobicContact CG2-CG 3.62Å; I895-K901 WeakPolarHBondContact O-CE 3.46Å; I895-K901 PolarHBondContact O-NZ 3.34Å
896	D	55.7	Low	55.5	Low	120 Å²	120	97.3 Å²	97.3	64%	0.642	52%	0.519	S	S	*	.			trans	-69	-36	-175.7	-82	-51.1	0	0	0	113.4	R482 A894	R482-D896 IonicContact CZ-OD2 3.6Å; R482-D896 IonicContact NH1-OD2 3.84Å; R482-D896 IonicContact NH2-OD2 3.09Å; R482-D896 PolarHBondContact NH2-OD2 2.75Å; A894-D896 PolarHBondContact O-N 3.32Å
897	T	60.9	Low	56.6	Low	62 Å²	62	99.5 Å²	99.5	38%	0.38	52%	0.517	S	S	.	.			trans	-108.1	135.6	-173	81.5	0	0	0	0	113.5	H899 E900 K901	T897-H899 PolarHBondContact O-N 3.45Å; T897-E900 PolarHBondContact O-N 3.48Å; T897-E900 WeakPolarHBondContact OG1-CB 3.43Å; T897-E900 VanDerWaalsContact OG1-CD 3.25Å; T897-E900 WeakPolarHBondContact OG1-CG 3.5Å; T897-E900 PolarHBondContact OG1-N 3.41Å; T897-E900 PolarHBondContact OG1-OE2 2.94Å; T897-K901 PolarHBondContact O-N 3.21Å
898	D	64	Low	57.9	Low	115 Å²	115	93.4 Å²	93.4	62%	0.615	49%	0.49	S	S	*	.	H	α-helix	trans	-70.3	-21.8	176.3	-67.2	-29	0	0	0	112.7	K901 L902	D898-K901 PolarHBondContact O-N 2.74Å; D898-K901 WeakPolarHBondContact OD1-CD 3.34Å; D898-K901 WeakPolarHBondContact OD1-CE 3.4Å; D898-K901 IonicContact OD1-NZ 3.74Å; D898-K901 PolarHBondContact OD1-NZ 3.08Å; D898-L902 VanDerWaalsContact O-CB 3.29Å; D898-L902 WeakPolarHBondContact O-CB 3.46Å; D898-L902 PolarHBondContact O-N 2.99Å
899	H	61.2	Low	59.5	Low	157 Å²	157	90.6 Å²	90.6	73%	0.727	48%	0.482	S	S	*	.	H	α-helix	trans	-65.3	-39.9	171.9	-81.6	-68	0	0	0	112.5	T897 Y903	T897-H899 PolarHBondContact O-N 3.45Å; H899-Y903 VanDerWaalsContact O-CB 3.27Å; H899-Y903 WeakPolarHBondContact O-CB 3.21Å; H899-Y903 PolarHBondContact O-N 3.29Å
900	E	62.7	Low	61.2	Low	70 Å²	70	90 Å²	90	33%	0.327	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-45.7	173.8	-73.6	165.5	126.6	0	0	111.2	I895 T897 L902 Y903 V904	I895-E900 HydrophobicContact CG2-CB 3.91Å; T897-E900 PolarHBondContact O-N 3.48Å; T897-E900 WeakPolarHBondContact OG1-CB 3.43Å; T897-E900 VanDerWaalsContact OG1-CD 3.25Å; T897-E900 WeakPolarHBondContact OG1-CG 3.5Å; T897-E900 PolarHBondContact OG1-N 3.41Å; T897-E900 PolarHBondContact OG1-OE2 2.94Å; E900-L902 PolarHBondContact O-N 2.9Å; E900-Y903 PolarHBondContact O-N 3.11Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.44Å
901	K	63.8	Low	63	Low	84 Å²	84	82 Å²	82	37%	0.365	44%	0.44	S	S	.	.	H	α-helix	trans	-56.7	-49.2	176.3	-60.1	172	-159.6	155.6	0	111.1	I895 T897 D898 V904 M905	I895-K901 HydrophobicContact CB-CG 4.07Å; I895-K901 HydrophobicContact CD1-CG 4.13Å; I895-K901 HydrophobicContact CG2-CD 4.42Å; I895-K901 HydrophobicContact CG2-CG 3.62Å; I895-K901 WeakPolarHBondContact O-CE 3.46Å; I895-K901 PolarHBondContact O-NZ 3.34Å; T897-K901 PolarHBondContact O-N 3.21Å; D898-K901 PolarHBondContact O-N 2.74Å; D898-K901 WeakPolarHBondContact OD1-CD 3.34Å; D898-K901 WeakPolarHBondContact OD1-CE 3.4Å; D898-K901 IonicContact OD1-NZ 3.74Å; D898-K901 PolarHBondContact OD1-NZ 3.08Å; K901-V904 PolarHBondContact O-N 3.03Å; K901-M905 VanDerWaalsContact O-CB 3.25Å; K901-M905 WeakPolarHBondContact O-CB 3.38Å; K901-M905 PolarHBondContact O-N 2.85Å
902	L	70.2	Confident	65.1	Low	102 Å²	102	78.5 Å²	78.5	53%	0.534	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-40.8	-179.7	-176	62.3	0	0	0	112.2	D898 E900 N906	D898-L902 VanDerWaalsContact O-CB 3.29Å; D898-L902 WeakPolarHBondContact O-CB 3.46Å; D898-L902 PolarHBondContact O-N 2.99Å; E900-L902 PolarHBondContact O-N 2.9Å; L902-N906 WeakPolarHBondContact O-CB 3.44Å; L902-N906 VanDerWaalsContact O-CG 3.26Å; L902-N906 PolarHBondContact O-N 3.49Å; L902-N906 PolarHBondContact O-ND2 3.14Å
903	Y	70.7	Confident	67.2	Low	119 Å²	119	78 Å²	78	47%	0.467	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-46.9	176.6	172.6	-105	0	0	0	112.2	H899 E900 N906 R907	H899-Y903 VanDerWaalsContact O-CB 3.27Å; H899-Y903 WeakPolarHBondContact O-CB 3.21Å; H899-Y903 PolarHBondContact O-N 3.29Å; E900-Y903 PolarHBondContact O-N 3.11Å; Y903-N906 PolarHBondContact O-N 3.22Å; Y903-R907 PolarHBondContact O-N 3.29Å; Y903-R907 VanDerWaalsContact OH-CZ 3.23Å; Y903-R907 PolarHBondContact OH-NE 3Å; Y903-R907 PolarHBondContact OH-NH2 3.12Å
904	V	67.3	Low	69	Low	7 Å²	7	77.8 Å²	77.8	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-70.8	-39	179.1	-177.8	0	0	0	0	111.3	H487 L490 M491 E900 K901 N906 R907 C908	H487-V904 HydrophobicContact CB-CG1 4.43Å; H487-V904 HydrophobicContact CB-CG2 4.37Å; L490-V904 HydrophobicContact CB-CG1 3.64Å; L490-V904 HydrophobicContact CD1-CB 3.9Å; L490-V904 HydrophobicContact CD1-CG1 3.47Å; L490-V904 VanDerWaalsContact CD1-CG1 3.47Å; L490-V904 HydrophobicContact CG-CG1 4.18Å; M491-V904 HydrophobicContact CE-CG1 4.12Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.44Å; K901-V904 PolarHBondContact O-N 3.03Å; V904-N906 VanDerWaalsContact C-N 3.32Å; V904-N906 PolarHBondContact O-N 2.8Å; V904-R907 CarbonylContact O-C 3.5Å; V904-R907 WeakPolarHBondContact O-CA 3.37Å; V904-R907 WeakPolarHBondContact O-CB 3.41Å; V904-R907 PolarHBondContact O-N 2.89Å; V904-C908 PolarHBondContact O-N 2.98Å; V904-C908 PolarHBondContact O-SG 2.95Å; V904-C908 VanDerWaalsContact O-SG 3.37Å
905	M	73.4	Confident	70.5	Confident	90 Å²	90	74.5 Å²	74.5	44%	0.443	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-40.3	175	-174.4	61.2	-177.8	0	0	112.2	K901 R907 C908 V909	K901-M905 VanDerWaalsContact O-CB 3.25Å; K901-M905 WeakPolarHBondContact O-CB 3.38Å; K901-M905 PolarHBondContact O-N 2.85Å; M905-R907 PolarHBondContact O-N 3.11Å; M905-C908 WeakPolarHBondContact O-CB 3.37Å; M905-C908 PolarHBondContact O-N 3.06Å; M905-C908 VanDerWaalsContact O-N 3.14Å; M905-C908 HydrophobicContact SD-CB 4.34Å; M905-V909 HydrophobicContact CE-CG2 4.39Å; M905-V909 WeakPolarHBondContact O-CG2 3.42Å; M905-V909 PolarHBondContact O-N 3.32Å
906	N	75.7	Confident	71.7	Confident	99 Å²	99	74 Å²	74	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-62	-30.7	172.9	-76.3	-37.6	0	0	0	112.5	L902 Y903 V904 A910	L902-N906 WeakPolarHBondContact O-CB 3.44Å; L902-N906 VanDerWaalsContact O-CG 3.26Å; L902-N906 PolarHBondContact O-N 3.49Å; L902-N906 PolarHBondContact O-ND2 3.14Å; Y903-N906 PolarHBondContact O-N 3.22Å; V904-N906 VanDerWaalsContact C-N 3.32Å; V904-N906 PolarHBondContact O-N 2.8Å; N906-A910 WeakPolarHBondContact O-CB 3.45Å; N906-A910 PolarHBondContact O-N 2.81Å
907	R	76.3	Confident	72.7	Confident	112 Å²	112	73.2 Å²	73.2	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-73.4	-36.8	171.1	-74	-167.5	169	-153.9	-6.1	113.2	H487 M491 Y903 V904 M905 V909 A910 A911	H487-R907 WeakPolarHBondContact NE2-CD 2.97Å; H487-R907 PolarHBondContact NE2-NH1 2.97Å; M491-R907 HydrophobicContact CE-CB 4.44Å; Y903-R907 PolarHBondContact O-N 3.29Å; Y903-R907 VanDerWaalsContact OH-CZ 3.23Å; Y903-R907 PolarHBondContact OH-NE 3Å; Y903-R907 PolarHBondContact OH-NH2 3.12Å; V904-R907 CarbonylContact O-C 3.5Å; V904-R907 WeakPolarHBondContact O-CA 3.37Å; V904-R907 WeakPolarHBondContact O-CB 3.41Å; V904-R907 PolarHBondContact O-N 2.89Å; M905-R907 PolarHBondContact O-N 3.11Å; R907-V909 VanDerWaalsContact C-N 3.3Å; R907-V909 PolarHBondContact O-N 3.14Å; R907-A910 PolarHBondContact O-N 3.12Å; R907-A911 WeakPolarHBondContact O-CB 3.49Å; R907-A911 PolarHBondContact O-N 2.92Å
908	C	74.9	Confident	73.4	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-54.8	-50.3	170.9	-55.3	0	0	0	0	110.3	M491 V904 M905 A910 A911 E912	M491-C908 HydrophobicContact CE-CB 4.17Å; M491-C908 WeakPolarHBondContact CE-SG 3.27Å; V904-C908 PolarHBondContact O-N 2.98Å; V904-C908 PolarHBondContact O-SG 2.95Å; V904-C908 VanDerWaalsContact O-SG 3.37Å; M905-C908 WeakPolarHBondContact O-CB 3.37Å; M905-C908 PolarHBondContact O-N 3.06Å; M905-C908 VanDerWaalsContact O-N 3.14Å; M905-C908 HydrophobicContact SD-CB 4.34Å; C908-A910 VanDerWaalsContact C-N 3.35Å; C908-A910 PolarHBondContact O-N 2.86Å; C908-A911 PolarHBondContact O-N 2.87Å; C908-E912 WeakPolarHBondContact O-CB 3.47Å; C908-E912 VanDerWaalsContact O-CG 3.29Å; C908-E912 WeakPolarHBondContact O-CG 3.45Å; C908-E912 PolarHBondContact O-N 3.44Å
909	V	79.3	Confident	73.6	Confident	69 Å²	69	67.5 Å²	67.5	42%	0.418	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-36.7	-179.6	176.8	0	0	0	0	111.8	M905 R907 R913	M905-V909 HydrophobicContact CE-CG2 4.39Å; M905-V909 WeakPolarHBondContact O-CG2 3.42Å; M905-V909 PolarHBondContact O-N 3.32Å; R907-V909 VanDerWaalsContact C-N 3.3Å; R907-V909 PolarHBondContact O-N 3.14Å; V909-R913 WeakPolarHBondContact O-CB 3.48Å; V909-R913 PolarHBondContact O-N 2.95Å
910	A	77.8	Confident	73.9	Confident	52 Å²	52	62.5 Å²	62.5	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-44.4	174.7	0	0	0	0	0	112.4	N906 R907 C908 R913 A914	N906-A910 WeakPolarHBondContact O-CB 3.45Å; N906-A910 PolarHBondContact O-N 2.81Å; R907-A910 PolarHBondContact O-N 3.12Å; C908-A910 VanDerWaalsContact C-N 3.35Å; C908-A910 PolarHBondContact O-N 2.86Å; A910-R913 PolarHBondContact O-N 3.16Å; A910-A914 WeakPolarHBondContact O-CB 3.29Å; A910-A914 PolarHBondContact O-N 3.04Å
911	A	76.4	Confident	73.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-47.4	177.5	0	0	0	0	0	112.4	E467 Y468 R907 C908 R913 A914 I915	E467-A911 HydrophobicContact CB-CB 3.82Å; E467-A911 HydrophobicContact CG-CB 4.21Å; Y468-A911 HydrophobicContact CE2-CB 3.99Å; R907-A911 WeakPolarHBondContact O-CB 3.49Å; R907-A911 PolarHBondContact O-N 2.92Å; C908-A911 PolarHBondContact O-N 2.87Å; A911-R913 VanDerWaalsContact C-N 3.3Å; A911-R913 PolarHBondContact O-N 3.29Å; A911-A914 PolarHBondContact O-N 3.4Å; A911-I915 PolarHBondContact O-N 2.68Å
912	E	79.5	Confident	73.1	Confident	52 Å²	52	63 Å²	63	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-41.6	174.9	-72.1	173.3	-155.2	0	0	110.9	S494 R497 I498 C908 A916	S494-E912 WeakPolarHBondContact CB-OE1 3.28Å; S494-E912 WeakPolarHBondContact OG-CG 3.24Å; S494-E912 PolarHBondContact OG-OE1 3.08Å; R497-E912 IonicContact CZ-OE1 3.76Å; R497-E912 IonicContact NH1-OE1 2.77Å; R497-E912 PolarHBondContact NH1-OE1 2.72Å; R497-E912 IonicContact NH1-OE2 2.69Å; I498-E912 HydrophobicContact CD1-CG 4.34Å; C908-E912 WeakPolarHBondContact O-CB 3.47Å; C908-E912 VanDerWaalsContact O-CG 3.29Å; C908-E912 WeakPolarHBondContact O-CG 3.45Å; C908-E912 PolarHBondContact O-N 3.44Å; E912-A916 WeakPolarHBondContact O-CB 3.37Å; E912-A916 PolarHBondContact O-N 3.25Å; E912-A916 VanDerWaalsContact O-N 3.12Å
913	R	80.7	Confident	71.9	Confident	159 Å²	159	61.3 Å²	61.3	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-69	-43.1	177.1	-178.6	174.7	177.3	145.6	10.4	113.5	V909 A910 A911 I915 A916 E917	V909-R913 WeakPolarHBondContact O-CB 3.48Å; V909-R913 PolarHBondContact O-N 2.95Å; A910-R913 PolarHBondContact O-N 3.16Å; A911-R913 VanDerWaalsContact C-N 3.3Å; A911-R913 PolarHBondContact O-N 3.29Å; R913-I915 VanDerWaalsContact C-N 3.32Å; R913-I915 PolarHBondContact O-N 2.77Å; R913-A916 PolarHBondContact O-N 3.31Å; R913-A916 VanDerWaalsContact O-N 3.16Å; R913-E917 HydrophobicContact CG-CG 4.31Å; R913-E917 IonicContact CZ-OE1 3.26Å; R913-E917 IonicContact NE-OE1 3.43Å; R913-E917 PolarHBondContact NE-OE1 3.08Å; R913-E917 IonicContact NH2-OE1 3.64Å; R913-E917 PolarHBondContact NH2-OE1 2.69Å; R913-E917 WeakPolarHBondContact O-CG 3.36Å; R913-E917 PolarHBondContact O-N 3.37Å
914	A	79.7	Confident	70.9	Confident	33 Å²	33	58.8 Å²	58.8	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-41.4	-179.8	0	0	0	0	0	111.8	T463 A910 A911 E918	T463-A914 HydrophobicContact CG2-CB 4.46Å; A910-A914 WeakPolarHBondContact O-CB 3.29Å; A910-A914 PolarHBondContact O-N 3.04Å; A911-A914 PolarHBondContact O-N 3.4Å; A914-E918 WeakPolarHBondContact O-CB 3.26Å; A914-E918 PolarHBondContact O-N 2.88Å; A914-E918 VanDerWaalsContact O-N 3.09Å
915	I	78.8	Confident	69.4	Low	10 Å²	10	63.1 Å²	63.1	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-43.7	172.9	-71.8	-178.8	0	0	0	111.3	T463 Y468 A911 R913 E917 E918 C919	T463-I915 HydrophobicContact CG2-CG1 4.11Å; Y468-I915 HydrophobicContact CD2-CD1 4.06Å; Y468-I915 HydrophobicContact CE2-CD1 3.5Å; A911-I915 PolarHBondContact O-N 2.68Å; R913-I915 VanDerWaalsContact C-N 3.32Å; R913-I915 PolarHBondContact O-N 2.77Å; I915-E917 PolarHBondContact O-N 2.78Å; I915-E918 PolarHBondContact O-N 2.97Å; I915-C919 WeakPolarHBondContact O-CB 3.24Å; I915-C919 PolarHBondContact O-N 3.14Å; I915-C919 PolarHBondContact O-SG 3.14Å
916	A	77.2	Confident	67.7	Low	40 Å²	40	61.2 Å²	61.2	33%	0.331	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-40.6	179.1	0	0	0	0	0	112.7	E912 R913 A920	E912-A916 WeakPolarHBondContact O-CB 3.37Å; E912-A916 PolarHBondContact O-N 3.25Å; E912-A916 VanDerWaalsContact O-N 3.12Å; R913-A916 PolarHBondContact O-N 3.31Å; R913-A916 VanDerWaalsContact O-N 3.16Å; A916-A920 VanDerWaalsContact O-CB 3.31Å; A916-A920 WeakPolarHBondContact O-CB 3.32Å; A916-A920 PolarHBondContact O-N 2.74Å
917	E	76	Confident	65.8	Low	104 Å²	104	59.5 Å²	59.5	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-69	-38.3	177	-71.6	179.6	174	0	0	112	R913 I915 A920 A921	R913-E917 HydrophobicContact CG-CG 4.31Å; R913-E917 IonicContact CZ-OE1 3.26Å; R913-E917 IonicContact NE-OE1 3.43Å; R913-E917 PolarHBondContact NE-OE1 3.08Å; R913-E917 IonicContact NH2-OE1 3.64Å; R913-E917 PolarHBondContact NH2-OE1 2.69Å; R913-E917 WeakPolarHBondContact O-CG 3.36Å; R913-E917 PolarHBondContact O-N 3.37Å; I915-E917 PolarHBondContact O-N 2.78Å; E917-A920 PolarHBondContact O-N 3.34Å; E917-A921 WeakPolarHBondContact O-CB 3.46Å; E917-A921 PolarHBondContact O-N 2.92Å
918	E	75.6	Confident	63.6	Low	45 Å²	45	64 Å²	64	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-47.3	173.7	-171	173.3	-142.5	0	0	111.8	G459 T460 T463 A914 I915 A920 A921 E922	G459-E918 VanDerWaalsContact CA-OE2 3.3Å; G459-E918 WeakPolarHBondContact CA-OE2 3.24Å; T460-E918 WeakPolarHBondContact CB-OE1 3.35Å; T460-E918 WeakPolarHBondContact CG2-OE1 3.32Å; T460-E918 PolarHBondContact N-OE2 3.39Å; T460-E918 PolarHBondContact OG1-OE1 3.13Å; T463-E918 VanDerWaalsContact CB-OE2 3.23Å; T463-E918 WeakPolarHBondContact CB-OE2 3.41Å; T463-E918 VanDerWaalsContact OG1-CD 3.23Å; T463-E918 PolarHBondContact OG1-OE1 3.31Å; T463-E918 PolarHBondContact OG1-OE2 2.81Å; A914-E918 WeakPolarHBondContact O-CB 3.26Å; A914-E918 PolarHBondContact O-N 2.88Å; A914-E918 VanDerWaalsContact O-N 3.09Å; I915-E918 PolarHBondContact O-N 2.97Å; E918-A920 VanDerWaalsContact C-N 3.26Å; E918-A920 PolarHBondContact O-N 3.08Å; E918-A921 PolarHBondContact O-N 2.73Å; E918-E922 PolarHBondContact O-N 2.77Å
919	C	69.5	Low	61.5	Low	11 Å²	11	72.6 Å²	72.6	7%	0.074	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-28.4	175.8	-71.9	0	0	0	0	113.1	R456 I915 R924	R456-C919 VanDerWaalsContact C-SG 3.54Å; R456-C919 PolarHBondContact O-SG 3.01Å; I915-C919 WeakPolarHBondContact O-CB 3.24Å; I915-C919 PolarHBondContact O-N 3.14Å; I915-C919 PolarHBondContact O-SG 3.14Å; C919-R924 CarbonylContact O-C 3.43Å; C919-R924 WeakPolarHBondContact O-CA 3.46Å; C919-R924 VanDerWaalsContact O-CB 3.24Å; C919-R924 WeakPolarHBondContact O-CB 3.36Å; C919-R924 PolarHBondContact O-N 3.36Å
920	A	66.4	Low	59.3	Low	53 Å²	53	76.1 Å²	76.1	44%	0.438	43%	0.434	S	S	.	.	H	α-helix	trans	-72.5	-47.8	172.1	0	0	0	0	0	112.2	A916 E917 E918 E922 G923 V925	A916-A920 VanDerWaalsContact O-CB 3.31Å; A916-A920 WeakPolarHBondContact O-CB 3.32Å; A916-A920 PolarHBondContact O-N 2.74Å; E917-A920 PolarHBondContact O-N 3.34Å; E918-A920 VanDerWaalsContact C-N 3.26Å; E918-A920 PolarHBondContact O-N 3.08Å; A920-E922 VanDerWaalsContact C-N 3.3Å; A920-E922 PolarHBondContact O-N 2.85Å; A920-G923 PolarHBondContact O-N 3.46Å; A920-V925 HydrophobicContact CB-CG2 4.15Å
921	A	56.7	Low	56.9	Low	89 Å²	89	78.2 Å²	78.2	74%	0.736	44%	0.443	S	S	*	.	H	α-helix	trans	-62.2	-32.8	-176	0	0	0	0	0	113.6	E917 E918 G923	E917-A921 WeakPolarHBondContact O-CB 3.46Å; E917-A921 PolarHBondContact O-N 2.92Å; E918-A921 PolarHBondContact O-N 2.73Å; A921-G923 PolarHBondContact O-N 2.83Å
922	E	53	Low	54.4	Low	75 Å²	75	82.5 Å²	82.5	35%	0.35	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	9.3	176.8	-64.1	-165.4	96.3	0	0	114.1	E918 A920 R924	E918-E922 PolarHBondContact O-N 2.77Å; A920-E922 VanDerWaalsContact C-N 3.3Å; A920-E922 PolarHBondContact O-N 2.85Å; E922-R924 HydrophobicContact CB-CB 4.32Å; E922-R924 HydrophobicContact CB-CG 4.1Å; E922-R924 PolarHBondContact O-N 2.97Å; E922-R924 IonicContact OE1-CZ 2.88Å; E922-R924 IonicContact OE1-NH1 3.69Å; E922-R924 IonicContact OE1-NH2 2.61Å; E922-R924 PolarHBondContact OE1-NH2 3.25Å; E922-R924 IonicContact OE2-CZ 3.41Å; E922-R924 IonicContact OE2-NE 2.73Å; E922-R924 IonicContact OE2-NH1 3.92Å; E922-R924 PolarHBondContact OE2-NH1 3.25Å; E922-R924 IonicContact OE2-NH2 3.74Å; E922-R924 PolarHBondContact OE2-NH2 3.44Å
923	G	45.6	Very low	52.1	Low	66 Å²	66	84.8 Å²	84.8	68%	0.68	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	27.1	-176.9	0	0	0	0	0	112.9	A920 A921	A920-G923 PolarHBondContact O-N 3.46Å; A921-G923 PolarHBondContact O-N 2.83Å
924	R	48.6	Very low	49.5	Very low	66 Å²	66	80.9 Å²	80.9	25%	0.249	49%	0.49	C	S	.	.			trans	-103.4	9.9	-164.6	-93.2	-168.3	-155.6	143.7	25.3	114.6	R456 C919 E922 I926	R456-R924 WeakPolarHBondContact CB-O 3.47Å; R456-R924 WeakPolarHBondContact CD-O 3.36Å; R456-R924 HydrophobicContact CG-CB 3.85Å; R456-R924 HydrophobicContact CG-CG 3.96Å; R456-R924 WeakPolarHBondContact CG-O 3.32Å; C919-R924 CarbonylContact O-C 3.43Å; C919-R924 WeakPolarHBondContact O-CA 3.46Å; C919-R924 VanDerWaalsContact O-CB 3.24Å; C919-R924 WeakPolarHBondContact O-CB 3.36Å; C919-R924 PolarHBondContact O-N 3.36Å; E922-R924 HydrophobicContact CB-CB 4.32Å; E922-R924 HydrophobicContact CB-CG 4.1Å; E922-R924 PolarHBondContact O-N 2.97Å; E922-R924 IonicContact OE1-CZ 2.88Å; E922-R924 IonicContact OE1-NH1 3.69Å; E922-R924 IonicContact OE1-NH2 2.61Å; E922-R924 PolarHBondContact OE1-NH2 3.25Å; E922-R924 IonicContact OE2-CZ 3.41Å; E922-R924 IonicContact OE2-NE 2.73Å; E922-R924 IonicContact OE2-NH1 3.92Å; E922-R924 PolarHBondContact OE2-NH1 3.25Å; E922-R924 IonicContact OE2-NH2 3.74Å; E922-R924 PolarHBondContact OE2-NH2 3.44Å; R924-I926 PolarHBondContact O-N 3.04Å
925	V	37.2	Very low	47.1	Very low	98 Å²	98	86.5 Å²	86.5	59%	0.594	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-66	124.8	-178.1	-171.7	0	0	0	0	110.9	A920	A920-V925 HydrophobicContact CB-CG2 4.15Å
926	I	37.4	Very low	44.7	Very low	51 Å²	51	91.6 Å²	91.6	26%	0.262	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-67.7	138.3	165	-63.6	176.5	0	0	0	107.5	R924	R924-I926 PolarHBondContact O-N 3.04Å
927	G	34.8	Very low	42.3	Very low	63 Å²	63	96.3 Å²	96.3	65%	0.649	55%	0.554	S	S	*	*	S	Bend	trans	-52.1	150.2	-171.9	0	0	0	0	0	113.9
928	K	29.8	Very low	40.1	Very low	207 Å²	207	94.1 Å²	94.1	90%	0.9	55%	0.553	S	S	*	*	S	Bend	trans	-7.5	126.9	-179.6	-64.4	-177.2	178.9	-178.6	0	115.7
929	E	31.8	Very low	37.9	Very low	182 Å²	182	97.6 Å²	97.6	85%	0.85	57%	0.569	S	S	*	*			trans	79.8	59.9	-175	-55	176.3	-154.1	0	0	114.7
930	M	32.8	Very low	36	Very low	142 Å²	142	100.1 Å²	100.1	70%	0.7	59%	0.587	S	S	*	*				-55.9	123.3	124.5	-175.4	178.7	-176.4	0	0	105.9	A932	M930-A932 PolarHBondContact O-N 2.97Å
931	P	27.2	Very low	34.3	Very low	96 Å²	96	102.1 Å²	102.1	62%	0.623	59%	0.594	S	S	*	*			trans	-62.3	112.5	-178.8	24.8	-32.7	0	0	0	107.7	V933	P931-V933 PolarHBondContact O-N 3.45Å
932	A	25	Very low	33.2	Very low	91 Å²	91	103.1 Å²	103.1	75%	0.752	59%	0.591	S	S	*	*			trans	-63.3	96	165	0	0	0	0	0	105.8	M930 T934	M930-A932 PolarHBondContact O-N 2.97Å; A932-T934 PolarHBondContact O-N 3.42Å
933	V	30.6	Very low	32.1	Very low	99 Å²	99	107.6 Å²	107.6	60%	0.6	61%	0.609	S	S	*	*			trans	-53.9	107.9	-177	174.5	0	0	0	0	106.8	P931 M935	P931-V933 PolarHBondContact O-N 3.45Å; V933-M935 PolarHBondContact O-N 3.01Å
934	T	26.9	Very low	31.4	Very low	77 Å²	77	108.8 Å²	108.8	47%	0.472	61%	0.607	S	S	.	*			trans	-67	108.9	-166.5	-20.9	0	0	0	0	107.2	A932 I936 Q937	A932-T934 PolarHBondContact O-N 3.42Å; T934-I936 HydrophobicContact CG2-CB 4.14Å; T934-I936 HydrophobicContact CG2-CD1 3.9Å; T934-I936 HydrophobicContact CG2-CG1 4.05Å; T934-I936 PolarHBondContact O-N 3.04Å; T934-Q937 PolarHBondContact O-N 2.82Å
935	M	27.8	Very low	30.5	Very low	152 Å²	152	111.7 Å²	111.7	75%	0.749	63%	0.627	S	S	*	*	H	α-helix	trans	-50	-26.3	179.8	-69.3	-84.7	-76.9	0	0	112.1	V933 Q937 A938	V933-M935 PolarHBondContact O-N 3.01Å; M935-Q937 VanDerWaalsContact C-N 3.28Å; M935-Q937 PolarHBondContact O-N 3.49Å; M935-A938 PolarHBondContact O-N 3.15Å
936	I	27.8	Very low	30.2	Very low	117 Å²	117	112.5 Å²	112.5	60%	0.6	63%	0.634	S	S	*	*	H	α-helix	trans	-57.2	-27.9	173.7	-51.9	178.1	0	0	0	113.8	T934	T934-I936 HydrophobicContact CG2-CB 4.14Å; T934-I936 HydrophobicContact CG2-CD1 3.9Å; T934-I936 HydrophobicContact CG2-CG1 4.05Å; T934-I936 PolarHBondContact O-N 3.04Å
937	Q	28.3	Very low	29.7	Very low	139 Å²	139	116.6 Å²	116.6	65%	0.65	66%	0.662	S	S	*	*	H	α-helix	trans	-84.2	-27	178	-77.7	-169.4	-21.9	0	0	113.5	T934 M935 E939 S940 T941	T934-Q937 PolarHBondContact O-N 2.82Å; M935-Q937 VanDerWaalsContact C-N 3.28Å; M935-Q937 PolarHBondContact O-N 3.49Å; Q937-E939 VanDerWaalsContact C-N 3.27Å; Q937-E939 PolarHBondContact O-N 3.22Å; Q937-S940 WeakPolarHBondContact O-CB 3.45Å; Q937-S940 PolarHBondContact O-N 2.94Å; Q937-S940 PolarHBondContact O-OG 3.31Å; Q937-T941 PolarHBondContact O-N 3.24Å; Q937-T941 PolarHBondContact O-OG1 3.46Å
938	A	29.9	Very low	29.6	Very low	58 Å²	58	122.1 Å²	122.1	48%	0.479	67%	0.67	S	S	.	*	H	α-helix	trans	-62.3	-38.5	169.2	0	0	0	0	0	111.1	M935 S940 T941 V942	M935-A938 PolarHBondContact O-N 3.15Å; A938-S940 PolarHBondContact O-N 2.84Å; A938-T941 PolarHBondContact O-N 3.08Å; A938-V942 PolarHBondContact O-N 3Å
939	E	28.4	Very low	29.6	Very low	117 Å²	117	120.4 Å²	120.4	55%	0.547	67%	0.67	S	S	.	*	H	α-helix	trans	-66	-13.6	173.9	-60.7	-174.6	163.7	0	0	114.3	Q937 K943	Q937-E939 VanDerWaalsContact C-N 3.27Å; Q937-E939 PolarHBondContact O-N 3.22Å; E939-K943 WeakPolarHBondContact O-CD 3.47Å; E939-K943 WeakPolarHBondContact O-CE 3.36Å; E939-K943 WeakPolarHBondContact O-CG 3.06Å
940	S	29.9	Very low	29.5	Very low	65 Å²	65	115.5 Å²	115.5	46%	0.455	66%	0.661	S	S	.	*	H	α-helix	trans	-88	-38.2	175.5	77.4	0	0	0	0	112.3	Q937 A938 V942 K943	Q937-S940 WeakPolarHBondContact O-CB 3.45Å; Q937-S940 PolarHBondContact O-N 2.94Å; Q937-S940 PolarHBondContact O-OG 3.31Å; A938-S940 PolarHBondContact O-N 2.84Å; S940-V942 VanDerWaalsContact C-N 3.32Å; S940-V942 PolarHBondContact O-N 3.01Å; S940-K943 PolarHBondContact O-N 3.47Å; S940-K943 VanDerWaalsContact O-N 3.12Å
941	T	31.1	Very low	29.3	Very low	95 Å²	95	116 Å²	116	58%	0.583	67%	0.666	S	S	*	*	H	α-helix	trans	-72.8	-25	179.4	-42.3	0	0	0	0	112.6	Q937 A938 K943 S944	Q937-T941 PolarHBondContact O-N 3.24Å; Q937-T941 PolarHBondContact O-OG1 3.46Å; A938-T941 PolarHBondContact O-N 3.08Å; T941-K943 PolarHBondContact O-N 3.17Å; T941-S944 PolarHBondContact O-OG 3.12Å; T941-S944 VanDerWaalsContact O-OG 3.13Å
942	V	32.6	Very low	29.4	Very low	110 Å²	110	119.8 Å²	119.8	67%	0.667	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-69.2	-21.9	170.8	175.2	0	0	0	0	112.2	A938 S940	A938-V942 PolarHBondContact O-N 3Å; S940-V942 VanDerWaalsContact C-N 3.32Å; S940-V942 PolarHBondContact O-N 3.01Å
943	K	30.5	Very low	29.5	Very low	168 Å²	168	120.6 Å²	120.6	73%	0.73	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-88.9	2.9	-178.3	-67.8	171.3	-175	161.8	0	114.2	E939 S940 T941	E939-K943 WeakPolarHBondContact O-CD 3.47Å; E939-K943 WeakPolarHBondContact O-CE 3.36Å; E939-K943 WeakPolarHBondContact O-CG 3.06Å; S940-K943 PolarHBondContact O-N 3.47Å; S940-K943 VanDerWaalsContact O-N 3.12Å; T941-K943 PolarHBondContact O-N 3.17Å
944	S	31	Very low	29.5	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-113.2	24.5	178.1	62.4	0	0	0	0	113.7	T941	T941-S944 PolarHBondContact O-OG 3.12Å; T941-S944 VanDerWaalsContact O-OG 3.13Å
945	L	29.8	Very low	29.6	Very low	127 Å²	127	128.8 Å²	128.8	67%	0.665	71%	0.707	S	S	*	*	S	Bend	trans	-82.6	149.6	165.6	-86.2	82.2	0	0	0	110.8
946	P	30.2	Very low	29.6	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	71%	0.713	S	S	*	*			trans	-56.4	140.5	-178.3	-27.6	36	0	0	0	114.6	H948	P946-H948 PolarHBondContact O-N 3.45Å
947	T	26.9	Very low	29.9	Very low	137 Å²	137	133.9 Å²	133.9	84%	0.84	73%	0.729	S	S	*	*	S	Bend	trans	-75.5	36.3	-163.6	-28	0	0	0	0	115.5
948	H	32.4	Very low	29.9	Very low	178 Å²	178	135.2 Å²	135.2	82%	0.824	74%	0.739	S	S	*	*	S	Bend	trans	-110.8	1.9	-167.3	-131	-67	0	0	0	116.5	P946	P946-H948 PolarHBondContact O-N 3.45Å
949	L	31.7	Very low	30	Very low	171 Å²	171	137.8 Å²	137.8	90%	0.895	75%	0.751	S	S	*	*	S	Bend	trans	-124.1	9.5	179.5	-81.6	165.8	0	0	0	114.5	N951	L949-N951 PolarHBondContact O-N 2.88Å; L949-N951 VanDerWaalsContact O-N 3.1Å
950	A	27.8	Very low	30.1	Very low	80 Å²	80	137.2 Å²	137.2	66%	0.661	76%	0.758	S	S	*	*			trans	-80.7	20.1	-172.3	0	0	0	0	0	115.7
951	N	29.2	Very low	29.9	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	78%	0.775	S	S	*	*			trans	-121.1	27.2	-164.6	-99.9	-10.1	0	0	0	115.7	L949	L949-N951 PolarHBondContact O-N 2.88Å; L949-N951 VanDerWaalsContact O-N 3.1Å
952	L	29.6	Very low	29.7	Very low	177 Å²	177	139.1 Å²	139.1	93%	0.927	78%	0.775	S	S	*	*			trans	-114.9	69.6	169.3	-78.1	174.1	0	0	0	112	L954	L952-L954 PolarHBondContact O-N 3.45Å
953	T	26.7	Very low	29.4	Very low	107 Å²	107	143.3 Å²	143.3	66%	0.656	78%	0.78	S	S	*	*			trans	-76.2	115.5	176	-39.1	0	0	0	0	111.2	Q955	T953-Q955 HydrophobicContact CG2-CG 4.35Å
954	L	30.7	Very low	29.4	Very low	174 Å²	174	142 Å²	142	91%	0.911	78%	0.776	S	S	*	*			trans	-128.2	99.3	163.3	-86.8	172.5	0	0	0	110.5	L952	L952-L954 PolarHBondContact O-N 3.45Å
955	Q	29.9	Very low	29.3	Very low	175 Å²	175	143.2 Å²	143.2	82%	0.818	78%	0.776	S	S	*	*			trans	-82.8	144.9	174.1	-70.1	-177.5	-12.3	0	0	111.1	T953 K957	T953-Q955 HydrophobicContact CG2-CG 4.35Å; Q955-K957 PolarHBondContact O-N 2.88Å
956	N	28.1	Very low	29.5	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	78%	0.778	S	S	*	*			trans	-57.6	130.2	173.1	-72.2	-55.7	0	0	0	112.2
957	K	33.5	Very low	29.5	Very low	211 Å²	211	144.1 Å²	144.1	92%	0.917	77%	0.769	S	S	*	*			trans	-149.6	144.3	149.4	-114.4	165.1	-171.9	175	0	112.9	Q955	Q955-K957 PolarHBondContact O-N 2.88Å
958	L	27.2	Very low	29.4	Very low	168 Å²	168	141.7 Å²	141.7	88%	0.88	76%	0.758	S	S	*	*			trans	-71.3	175.5	-164.6	-82.6	158.1	0	0	0	114.6
959	P	32.2	Very low	29.3	Very low	111 Å²	111	143 Å²	143	72%	0.721	76%	0.756	S	S	*	*			trans	-98	-156.4	-149.1	46.4	-42.4	0	0	0	111.8
960	P	31.2	Very low	29.2	Very low	106 Å²	106	143.7 Å²	143.7	69%	0.688	75%	0.752	S	S	*	*			cis	-142.4	-173.3	3.7	43.4	-23.3	0	0	0	118.4
961	S	25.2	Very low	29.1	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	76%	0.758	S	S	*	*			trans	76	155.3	167.6	83.3	0	0	0	0	115.5
962	S	26.9	Very low	29.2	Very low	83 Å²	83	146.2 Å²	146.2	58%	0.58	76%	0.759	S	S	*	*			cis	-154.7	142.2	10.2	68.6	0	0	0	0	113.6
963	Y	27.5	Very low	29.3	Very low	197 Å²	197	147 Å²	147	77%	0.773	76%	0.758	S	S	*	*			trans	59.4	150.4	158.4	-55.6	-60.1	0	0	0	118.9
964	H	30.8	Very low	29.5	Very low	140 Å²	140	146.7 Å²	146.7	65%	0.648	76%	0.756	S	S	*	*			cis	-157.1	134.6	-8.2	-121.6	-42.6	0	0	0	109.7
965	N	28.7	Very low	29.6	Very low	117 Å²	117	143.3 Å²	143.3	63%	0.626	74%	0.744	S	S	*	*			trans	52	164.2	149.5	-51.7	3.9	0	0	0	120.2
966	H	32.7	Very low	29.7	Very low	154 Å²	154	142.1 Å²	142.1	71%	0.713	74%	0.742	S	S	*	*			cis	-133.1	161.5	8.7	-109.4	-73.4	0	0	0	112.6
967	D	31.2	Very low	30.1	Very low	108 Å²	108	142 Å²	142	58%	0.578	74%	0.742	S	S	*	*			trans	18.4	122.2	164.3	-67.9	-78.3	0	0	0	121.2
968	S	25.3	Very low	30.1	Very low	87 Å²	87	139.1 Å²	139.1	61%	0.608	73%	0.732	S	S	*	*			cis	80.6	111.1	43.7	103.1	0	0	0	0	115.7
969	R	29	Very low	30.4	Very low	205 Å²	205	137.6 Å²	137.6	77%	0.774	72%	0.724	S	S	*	*				174	155.4	116	-91.8	163.1	-152.5	-161.3	6.1	114.6
970	F	30.5	Very low	30.4	Very low	185 Å²	185	141.7 Å²	141.7	81%	0.811	73%	0.73	S	S	*	*			trans	60.9	90.7	165.5	-62.9	-60.5	0	0	0	120.3
971	T	25.5	Very low	30.3	Very low	127 Å²	127	145.6 Å²	145.6	78%	0.779	74%	0.737	S	S	*	*			trans	-61.9	147.8	145.5	46.3	0	0	0	0	112.3
972	N	30.6	Very low	30.7	Very low	157 Å²	157	145.9 Å²	145.9	84%	0.84	74%	0.736	S	S	*	*			trans	-163.7	137.4	142.9	-103.2	-33.1	0	0	0	110.5
973	H	32.1	Very low	30.9	Very low	195 Å²	195	146.6 Å²	146.6	90%	0.903	74%	0.741	S	S	*	*			trans	-80.2	143.6	177.7	-75.1	-88.5	0	0	0	111.8
974	V	30.7	Very low	31	Very low	100 Å²	100	148.8 Å²	148.8	61%	0.606	75%	0.747	S	S	*	*			trans	-127.7	133.4	166.2	-177.7	0	0	0	0	108.7	Q978	V974-Q978 HydrophobicContact CG1-CG 4.42Å
975	P	32.6	Very low	31.1	Very low	102 Å²	102	146 Å²	146	66%	0.662	74%	0.744	S	S	*	*			trans	-66.6	158.3	179.7	-22.3	34.3	0	0	0	114	N977	P975-N977 PolarHBondContact O-N 3.4Å
976	L	32.6	Very low	31.4	Very low	151 Å²	151	147.6 Å²	147.6	79%	0.791	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-58	-13.7	-171.3	-127.6	76.5	0	0	0	116.4	Q978	L976-Q978 PolarHBondContact O-N 3.36Å; L976-Q978 VanDerWaalsContact O-N 3.1Å
977	N	36.4	Very low	31.3	Very low	161 Å²	161	145.3 Å²	145.3	86%	0.861	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-80.2	17.3	-170.4	-65	4.4	0	0	0	114.8	P975	P975-N977 PolarHBondContact O-N 3.4Å
978	Q	34.5	Very low	31.3	Very low	151 Å²	151	149 Å²	149	71%	0.706	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-122.5	-4.4	-179.6	-61.9	-162.3	19.4	0	0	115.2	V974 L976 F980	V974-Q978 HydrophobicContact CG1-CG 4.42Å; L976-Q978 PolarHBondContact O-N 3.36Å; L976-Q978 VanDerWaalsContact O-N 3.1Å; Q978-F980 PolarHBondContact O-N 2.96Å
979	L	32.2	Very low	31.6	Very low	136 Å²	136	155.3 Å²	155.3	71%	0.712	77%	0.773	S	S	*	*	S	Bend	trans	-79.4	-9.1	-167.9	-95.8	163.3	0	0	0	116.4
980	F	32.8	Very low	31.8	Very low	196 Å²	196	151.7 Å²	151.7	86%	0.86	78%	0.776	S	S	*	*			trans	-134.1	92.4	175.1	-70.7	-77.6	0	0	0	112.2	Q978	Q978-F980 PolarHBondContact O-N 2.96Å
981	K	29.7	Very low	31.5	Very low	189 Å²	189	150.8 Å²	150.8	82%	0.822	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-90.8	135.1	148.9	-72.9	175	178.5	169.4	0	107.4
982	P	32.5	Very low	31.8	Very low	123 Å²	123	153.8 Å²	153.8	80%	0.799	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.6	153.5	170.7	27.6	-34	0	0	0	110.8
983	S	31	Very low	31.7	Very low	98 Å²	98	153.3 Å²	153.3	69%	0.685	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.7	153.5	176.6	43.9	0	0	0	0	111.8	S985	S983-S985 VanDerWaalsContact C-N 3.26Å; S983-S985 PolarHBondContact O-N 3.42Å; S983-S985 VanDerWaalsContact O-N 3.12Å
984	R	28.9	Very low	31.4	Very low	242 Å²	242	154.8 Å²	154.8	91%	0.913	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	28.1	-163.4	-132.5	175.9	-175.2	-177.1	-1.7	114.5
985	S	34.3	Very low	31.4	Very low	81 Å²	81	156.3 Å²	156.3	57%	0.566	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-31.6	-174.9	47.9	0	0	0	0	114.3	S983 T987	S983-S985 VanDerWaalsContact C-N 3.26Å; S983-S985 PolarHBondContact O-N 3.42Å; S983-S985 VanDerWaalsContact O-N 3.12Å; S985-T987 PolarHBondContact O-N 2.89Å
986	D	34.8	Very low	31.1	Very low	151 Å²	151	157.3 Å²	157.3	81%	0.807	79%	0.79	S	S	*	*			trans	-87.8	45.9	-165.2	-62.7	-0.6	0	0	0	113.5
987	T	29.3	Very low	30.9	Very low	106 Å²	106	156.4 Å²	156.4	65%	0.65	79%	0.791	S	S	*	*			trans	-115.5	32.8	-174.7	55.6	0	0	0	0	115	S985	S985-T987 PolarHBondContact O-N 2.89Å
988	H	32	Very low	30.4	Very low	185 Å²	185	152.4 Å²	152.4	86%	0.856	78%	0.775	S	S	*	*			trans	-131.7	83.8	165.8	-78.5	-75.5	0	0	0	112.3
989	R	32.6	Very low	30.2	Very low	220 Å²	220	153.7 Å²	153.7	83%	0.83	78%	0.779	S	S	*	*			trans	-122	128.9	160.1	-84.8	-169.3	174	-159.5	-1.1	110
990	P	31.8	Very low	30.1	Very low	130 Å²	130	153.6 Å²	153.6	84%	0.844	78%	0.779	S	S	*	*			trans	-62.4	149.3	166.1	-20.9	33.6	0	0	0	111.9
991	M	25.6	Very low	29.9	Very low	166 Å²	166	151.3 Å²	151.3	82%	0.818	78%	0.776	S	S	*	*			trans	-83	-168.3	172.5	-79.8	-179.9	53.7	0	0	112
992	F	29.9	Very low	30.1	Very low	190 Å²	190	146.6 Å²	146.6	83%	0.833	77%	0.765	S	S	*	*			trans	85	120.9	-177.5	-54.3	-69.4	0	0	0	114.2
993	N	30	Very low	30.1	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	76%	0.764	S	S	*	*			cis	-136.1	147	10.2	-85.2	-31.1	0	0	0	113.4
994	R	26.1	Very low	30	Very low	227 Å²	227	148.7 Å²	148.7	86%	0.857	76%	0.76	S	S	*	*			trans	-108.7	140.6	152.8	-83.7	-174.3	174.6	-179.9	-1.4	108.4
995	P	29.5	Very low	30	Very low	132 Å²	132	143.2 Å²	143.2	86%	0.857	75%	0.749	S	S	*	*			trans	-65.3	152.7	152.7	-16	31.6	0	0	0	110.5
996	V	25.7	Very low	29.6	Very low	123 Å²	123	145.8 Å²	145.8	75%	0.745	75%	0.754	S	S	*	*			trans	-114.7	135.4	-169.9	172.8	0	0	0	0	111.9
997	T	29.7	Very low	29.3	Very low	131 Å²	131	146 Å²	146	80%	0.804	75%	0.754	S	S	*	*			trans	-169.1	110	141.4	25.4	0	0	0	0	106.1
998	S	26.5	Very low	29	Very low	77 Å²	77	149.4 Å²	149.4	54%	0.538	76%	0.762	S	S	.	*				68.8	123.7	54.6	82.9	0	0	0	0	112.2
999	F	30	Very low	28.8	Very low	178 Å²	178	147.5 Å²	147.5	78%	0.781	76%	0.764	S	S	*	*			cis	-141.4	152	22	-93	-93.7	0	0	0	114.7
1000	N	30.1	Very low	28.5	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	76%	0.762	S	S	*	*			trans	28.3	128.4	142.9	-59.2	4	0	0	0	120.8
1001	N	26.9	Very low	28.3	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	76%	0.758	S	S	*	*			cis	69.2	148.1	31.5	-152.2	50.1	0	0	0	114.2
1002	P	35.2	Very low	28.4	Very low	90 Å²	90	140.7 Å²	140.7	58%	0.584	76%	0.758	S	S	*	*			cis	-123.9	-177.3	-26.5	37.6	-22.5	0	0	0	112.9
1003	H	31.5	Very low	28.5	Very low	166 Å²	166	139 Å²	139	77%	0.769	76%	0.756	S	S	*	*			trans	-173.6	134.5	131.8	-109.1	-76.5	0	0	0	114.3
1004	T	29.5	Very low	28.5	Very low	99 Å²	99	139.8 Å²	139.8	61%	0.607	75%	0.752	S	S	*	*			trans	10.4	151	140.7	56.5	0	0	0	0	121.2
1005	N	28.3	Very low	28.8	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	74%	0.744	S	S	*	*			cis	-169.1	163.3	-2.7	-107.8	-11.5	0	0	0	111.6
1006	I	25.9	Very low	28.8	Very low	134 Å²	134	136.8 Å²	136.8	69%	0.687	74%	0.74	S	S	*	*			trans	18.4	128.5	136.9	-41.3	162.9	0	0	0	118.7
1007	I	29.1	Very low	29.1	Very low	156 Å²	156	134 Å²	134	80%	0.8	74%	0.736	S	S	*	*				-179.2	141	124.5	-94.1	159	0	0	0	112
1008	H	24.1	Very low	29.1	Very low	177 Å²	177	134 Å²	134	82%	0.819	73%	0.731	S	S	*	*			trans	-84.8	150.1	169.3	-74.5	-124.6	0	0	0	111.3
1009	T	27.6	Very low	29.1	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	74%	0.742	S	S	*	*			trans	-156.1	137.1	133	35.6	0	0	0	0	111.8
1010	S	24.6	Very low	29.2	Very low	115 Å²	115	137 Å²	137	80%	0.804	75%	0.747	S	S	*	*			trans	-111.6	137.5	168.2	50.2	0	0	0	0	110.1
1011	S	29.7	Very low	29.2	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	75%	0.748	S	S	*	*			trans	-161.2	111.9	162.2	52.4	0	0	0	0	115
1012	N	26	Very low	29.6	Very low	152 Å²	152	134.1 Å²	134.1	81%	0.813	75%	0.746	S	S	*	*			trans	26.2	129.9	132.5	-55.3	-34.4	0	0	0	121.6
1013	I	32.6	Very low	29.3	Very low	155 Å²	155	137.7 Å²	137.7	80%	0.795	76%	0.761	S	S	*	*				-170.7	111.8	121.8	-98.4	151.9	0	0	0	106.6
1014	K	29.9	Very low	29.2	Very low	161 Å²	161	134.4 Å²	134.4	70%	0.7	76%	0.756	S	S	*	*				60.2	132.8	88.4	-70.8	-174.8	166.6	-172.4	0	112.7
1015	H	31.6	Very low	29.3	Very low	150 Å²	150	134.6 Å²	134.6	69%	0.694	76%	0.762	S	S	*	*			cis	-159.6	179.7	0.9	-93.2	-49.4	0	0	0	106.6
1016	L	30	Very low	29.3	Very low	147 Å²	147	134.8 Å²	134.8	77%	0.77	77%	0.767	S	S	*	*			cis	-161.9	174	5.5	-131.5	169	0	0	0	108.6
1017	G	31.5	Very low	29.7	Very low	63 Å²	63	133.6 Å²	133.6	65%	0.649	77%	0.768	S	S	*	*			trans	96.8	84.5	160.9	0	0	0	0	0	115.7
1018	N	30.1	Very low	29.7	Very low	132 Å²	132	134.5 Å²	134.5	71%	0.706	77%	0.774	S	S	*	*				85.9	102.3	71.4	-74.3	4.4	0	0	0	115.4
1019	N	27.7	Very low	29.8	Very low	144 Å²	144	129.1 Å²	129.1	77%	0.77	76%	0.76	S	S	*	*			trans	50	121.4	131.8	-50.9	-14.7	0	0	0	120.9
1020	I	32.1	Very low	29.7	Very low	174 Å²	174	131.6 Å²	131.6	89%	0.892	76%	0.759	S	S	*	*				-161.9	160.5	105.6	-97.6	156.3	0	0	0	110.1
1021	S	29	Very low	29.8	Very low	107 Å²	107	132 Å²	132	75%	0.748	76%	0.757	S	S	*	*			trans	-91.9	167.9	-163.3	50.1	0	0	0	0	115.5
1022	P	34.9	Very low	29.6	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	76%	0.759	S	S	*	*			trans	-99.2	164	-162.8	39.2	-37.1	0	0	0	116.1
1023	N	28.9	Very low	29.7	Very low	165 Å²	165	130.2 Å²	130.2	88%	0.882	76%	0.756	S	S	*	*			trans	174.7	155.6	156.1	-92.8	-29.6	0	0	0	107.3
1024	S	31.2	Very low	29.4	Very low	97 Å²	97	131.2 Å²	131.2	68%	0.678	76%	0.758	S	S	*	*			cis	-162.5	168.9	2.4	48.3	0	0	0	0	111.5
1025	S	30.3	Very low	29.5	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	75%	0.754	S	S	*	*			trans	3.8	155.2	146.9	64.1	0	0	0	0	121.4
1026	V	28.9	Very low	29.3	Very low	131 Å²	131	130.7 Å²	130.7	79%	0.794	76%	0.757	S	S	*	*			cis	-170.1	158.2	-0.2	125.1	0	0	0	0	108
1027	P	33.6	Very low	29.3	Very low	109 Å²	109	129.3 Å²	129.3	71%	0.708	76%	0.76	S	S	*	*			trans	-93	158.6	-176	36.8	-37.5	0	0	0	116
1028	L	28.8	Very low	29.2	Very low	174 Å²	174	132.4 Å²	132.4	91%	0.911	77%	0.766	S	S	*	*			trans	167.2	167.4	157.2	-90.6	152.9	0	0	0	108.2
1029	A	26.3	Very low	29.2	Very low	65 Å²	65	131.3 Å²	131.3	54%	0.537	76%	0.761	S	S	.	*				-168.9	156.6	-55.3	0	0	0	0	0	109.8
1030	F	25.2	Very low	29.3	Very low	196 Å²	196	134.6 Å²	134.6	86%	0.86	76%	0.762	S	S	*	*			trans	61.9	165.3	174.5	-57.1	-78.1	0	0	0	115.7
1031	T	27.5	Very low	29.3	Very low	125 Å²	125	131 Å²	131	77%	0.767	75%	0.752	S	S	*	*			cis	-146.1	170.7	-4.9	-14.1	0	0	0	0	110.9
1032	T	25.3	Very low	29.2	Very low	130 Å²	130	131.3 Å²	131.3	80%	0.798	75%	0.754	S	S	*	*			trans	-55.5	144.9	169.6	48.5	0	0	0	0	116.4
1033	A	29.1	Very low	28.9	Very low	90 Å²	90	131.8 Å²	131.8	74%	0.744	76%	0.758	S	S	*	*				175.9	116.7	121	0	0	0	0	0	114.9
1034	E	25.2	Very low	29	Very low	177 Å²	177	130.6 Å²	130.6	83%	0.827	76%	0.756	S	S	*	*			trans	33.4	162.3	136.8	-49.3	-171.2	126	0	0	126.7
1035	H	32.3	Very low	28.8	Very low	137 Å²	137	133 Å²	133	63%	0.634	76%	0.761	S	S	*	*			trans	86.2	88.5	153.7	-80.6	-77.9	0	0	0	123.5
1036	Q	26.6	Very low	28.8	Very low	162 Å²	162	134.8 Å²	134.8	76%	0.757	77%	0.768	S	S	*	*				78.5	145.5	122	-75.1	178.7	-4.1	0	0	124.3
1037	S	29.9	Very low	28.7	Very low	118 Å²	118	135.6 Å²	135.6	83%	0.825	77%	0.768	S	S	*	*			trans	79.7	143.1	158	84.9	0	0	0	0	117.8
1038	V	30.4	Very low	28.4	Very low	128 Å²	128	141.7 Å²	141.7	78%	0.776	78%	0.777	S	S	*	*			cis	-159.4	161.2	-13.5	112.9	0	0	0	0	111.2
1039	D	29.2	Very low	28.3	Very low	110 Å²	110	139.9 Å²	139.9	59%	0.588	77%	0.772	S	S	*	*			trans	78.5	127.3	158.8	-96	8.3	0	0	0	124.7
1040	R	31.2	Very low	28.4	Very low	212 Å²	212	144.8 Å²	144.8	80%	0.8	79%	0.79	S	S	*	*			trans	98.3	103.5	137.9	-71.9	168.2	-151.1	-132.2	-4.9	123.4
1041	S	30.8	Very low	28.3	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	78%	0.782	S	S	*	*			trans	59.3	98.1	135.1	57.3	0	0	0	0	119.5
1042	S	27.5	Very low	28.4	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	78%	0.784	S	S	*	*				81.6	149.3	74.6	73.6	0	0	0	0	114.3
1043	P	29.9	Very low	28.5	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	79%	0.787	S	S	*	*			trans	-113.3	167.4	-130.1	40.3	-35.7	0	0	0	116.9
1044	V	29.3	Very low	28.5	Very low	140 Å²	140	147.3 Å²	147.3	85%	0.848	79%	0.791	S	S	*	*			trans	-120.6	139.7	175.4	178.7	0	0	0	0	110.7
1045	N	28.1	Very low	28.9	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	78%	0.782	S	S	*	*			trans	-68.2	143.2	-177.7	-65	-36.9	0	0	0	113.3
1046	T	29.5	Very low	28.8	Very low	141 Å²	141	146.9 Å²	146.9	87%	0.865	80%	0.795	S	S	*	*			trans	-119	58.3	162.3	58.6	0	0	0	0	111	R1048	T1046-R1048 PolarHBondContact O-N 2.79Å
1047	D	27.7	Very low	29.2	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	79%	0.786	S	S	*	*			trans	-85.5	84	173.6	-128.6	-16.6	0	0	0	109.6
1048	R	26.4	Very low	29.2	Very low	238 Å²	238	141.2 Å²	141.2	90%	0.898	77%	0.773	S	S	*	*			trans	175.1	162.3	158.2	-97.9	154.2	-168.5	-155.5	3.2	112	T1046	T1046-R1048 PolarHBondContact O-N 2.79Å
1049	V	27.7	Very low	29.4	Very low	135 Å²	135	144.9 Å²	144.9	82%	0.818	77%	0.773	S	S	*	*			trans	65.5	77.8	173.8	-160.3	0	0	0	0	115.9
1050	N	27	Very low	29.6	Very low	168 Å²	168	145.4 Å²	145.4	90%	0.898	77%	0.772	S	S	*	*			trans	-142.1	70.6	145.1	-102.6	-37.2	0	0	0	109.2	P1052	N1050-P1052 WeakPolarHBondContact O-CD 3.42Å
1051	R	24.7	Very low	29.7	Very low	186 Å²	186	140.5 Å²	140.5	70%	0.702	76%	0.761	S	S	*	*			trans	-72.6	122.1	161.1	-85.9	-177.2	176.8	155.1	-0.3	106.8	E59 L1053	E59-R1051 IonicContact OE1-CZ 3.74Å; E59-R1051 IonicContact OE1-NH1 3.93Å; E59-R1051 PolarHBondContact OE1-NH1 2.96Å; E59-R1051 IonicContact OE1-NH2 2.76Å; E59-R1051 IonicContact OE2-NH1 2.76Å; E59-R1051 PolarHBondContact OE2-NH1 3.12Å; R1051-L1053 PolarHBondContact O-N 3.27Å; R1051-L1053 VanDerWaalsContact O-N 3.16Å
1052	P	28.9	Very low	29.7	Very low	125 Å²	125	141.5 Å²	141.5	81%	0.812	75%	0.754	S	S	*	*			trans	-67.6	113.2	166.5	27.4	-31.5	0	0	0	108.8	N1050 S1054	N1050-P1052 WeakPolarHBondContact O-CD 3.42Å; P1052-S1054 PolarHBondContact O-N 2.92Å
1053	L	27.6	Very low	29.9	Very low	164 Å²	164	140.4 Å²	140.4	86%	0.859	74%	0.74	S	S	*	*			trans	-65.3	126	172.6	-78.4	162.8	0	0	0	109.3	R1051 P1055	R1051-L1053 PolarHBondContact O-N 3.27Å; R1051-L1053 VanDerWaalsContact O-N 3.16Å; L1053-P1055 WeakPolarHBondContact O-CD 3.35Å
1054	S	28.3	Very low	30.2	Very low	119 Å²	119	137.2 Å²	137.2	83%	0.832	72%	0.718	S	S	*	*			trans	-82.3	113.4	-168.8	44.7	0	0	0	0	113.3	P1052 K1056	P1052-S1054 PolarHBondContact O-N 2.92Å; S1054-K1056 PolarHBondContact O-N 3.21Å
1055	P	34.4	Very low	30.5	Very low	96 Å²	96	132.3 Å²	132.3	62%	0.623	69%	0.688	S	S	*	*			trans	-97.8	95.9	-178.1	7.9	14.1	0	0	0	111.7	L1053 L1057	L1053-P1055 WeakPolarHBondContact O-CD 3.35Å; P1055-L1057 VanDerWaalsContact C-N 3.33Å; P1055-L1057 PolarHBondContact O-N 3.2Å
1056	K	30.7	Very low	30.6	Very low	209 Å²	209	131.6 Å²	131.6	91%	0.909	68%	0.68	S	S	*	*			trans	46.4	27.9	146.2	-63.8	176.5	178.8	169.3	0	119.8	S1054 G1058	S1054-K1056 PolarHBondContact O-N 3.21Å; K1056-G1058 VanDerWaalsContact C-N 3.3Å; K1056-G1058 PolarHBondContact O-N 3.34Å
1057	L	33.8	Very low	30.7	Very low	108 Å²	108	128.8 Å²	128.8	57%	0.565	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-75.1	-12	-179.2	-141.5	76.8	0	0	0	115.3	P1055 R1059 Q1060	P1055-L1057 VanDerWaalsContact C-N 3.33Å; P1055-L1057 PolarHBondContact O-N 3.2Å; L1057-R1059 PolarHBondContact O-N 3.35Å; L1057-Q1060 PolarHBondContact O-N 3.02Å; L1057-Q1060 VanDerWaalsContact O-N 3.13Å
1058	G	31.1	Very low	31	Very low	54 Å²	54	126.3 Å²	126.3	56%	0.557	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-60.5	-8.1	-170.7	0	0	0	0	0	117.7	K1056	K1056-G1058 VanDerWaalsContact C-N 3.3Å; K1056-G1058 PolarHBondContact O-N 3.34Å
1059	R	32.8	Very low	31.1	Very low	205 Å²	205	121.7 Å²	121.7	77%	0.774	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-80.5	-35.8	173	-74.7	-174	173.4	-178.5	-2.8	113.3	L1057 L1061 Q1062	L1057-R1059 PolarHBondContact O-N 3.35Å; R1059-L1061 VanDerWaalsContact C-N 3.26Å; R1059-L1061 PolarHBondContact O-N 2.87Å; R1059-Q1062 PolarHBondContact O-N 3.09Å; R1059-Q1062 VanDerWaalsContact O-N 3.1Å
1060	Q	34.6	Very low	31.2	Very low	121 Å²	121	121.3 Å²	121.3	57%	0.565	64%	0.639	S	S	*	*	H	α-helix	trans	-69.4	-23.1	-174.6	-71.4	-176.9	-22.1	0	0	113.4	L1057 Q1062 V1064	L1057-Q1060 PolarHBondContact O-N 3.02Å; L1057-Q1060 VanDerWaalsContact O-N 3.13Å; Q1060-Q1062 VanDerWaalsContact C-N 3.32Å; Q1060-V1064 WeakPolarHBondContact O-CG2 3.44Å; Q1060-V1064 PolarHBondContact O-N 3.03Å
1061	L	32.6	Very low	31.2	Very low	109 Å²	109	124 Å²	124	57%	0.571	64%	0.637	S	S	*	*	H	α-helix	trans	-74	-21.1	174.3	-74.8	165.7	0	0	0	113.2	R1059 T1065	R1059-L1061 VanDerWaalsContact C-N 3.26Å; R1059-L1061 PolarHBondContact O-N 2.87Å; L1061-T1065 WeakPolarHBondContact O-CB 3.11Å; L1061-T1065 PolarHBondContact O-N 2.75Å; L1061-T1065 PolarHBondContact O-OG1 3.14Å
1062	Q	31.1	Very low	31.3	Very low	118 Å²	118	124.1 Å²	124.1	55%	0.551	65%	0.645	S	S	*	*	H	α-helix	trans	-75.9	-49.2	173.3	-59.7	-171.7	-94.7	0	0	110.2	R1059 Q1060 V1064 T1065 E1066	R1059-Q1062 PolarHBondContact O-N 3.09Å; R1059-Q1062 VanDerWaalsContact O-N 3.1Å; Q1060-Q1062 VanDerWaalsContact C-N 3.32Å; Q1062-V1064 PolarHBondContact O-N 2.81Å; Q1062-T1065 PolarHBondContact O-N 3.49Å; Q1062-E1066 PolarHBondContact O-N 3.37Å
1063	D	32.8	Very low	31.2	Very low	92 Å²	92	127.6 Å²	127.6	49%	0.492	65%	0.647	S	S	.	*	H	α-helix	trans	-53.4	-27.3	173.4	-69.2	15.9	0	0	0	114.2	V1067	D1063-V1067 WeakPolarHBondContact O-CG2 3.2Å
1064	V	35.9	Very low	31.2	Very low	59 Å²	59	130.8 Å²	130.8	36%	0.358	65%	0.65	S	S	.	*	H	α-helix	trans	-88.4	-22.7	177.2	174.1	0	0	0	0	112	K420 Q1060 Q1062 V1068	K420-V1064 HydrophobicContact CD-CG2 4.41Å; Q1060-V1064 WeakPolarHBondContact O-CG2 3.44Å; Q1060-V1064 PolarHBondContact O-N 3.03Å; Q1062-V1064 PolarHBondContact O-N 2.81Å; V1064-V1068 WeakPolarHBondContact O-CG2 3.48Å
1065	T	34	Very low	31.1	Very low	37 Å²	37	132.6 Å²	132.6	23%	0.227	65%	0.65	C	S	.	*	H	α-helix	trans	-87.4	-44.7	-177.7	-64.5	0	0	0	0	112.5	R361 L1061 Q1062 V1067 V1068	R361-T1065 PolarHBondContact NH2-OG1 3.35Å; L1061-T1065 WeakPolarHBondContact O-CB 3.11Å; L1061-T1065 PolarHBondContact O-N 2.75Å; L1061-T1065 PolarHBondContact O-OG1 3.14Å; Q1062-T1065 PolarHBondContact O-N 3.49Å; T1065-V1067 PolarHBondContact O-N 3.49Å; T1065-V1067 VanDerWaalsContact O-N 3.17Å; T1065-V1068 WeakPolarHBondContact O-CB 3.42Å; T1065-V1068 PolarHBondContact O-N 3.02Å
1066	E	30.6	Very low	30.7	Very low	131 Å²	131	134.8 Å²	134.8	61%	0.612	66%	0.656	S	S	*	*	H	α-helix	trans	-60.4	-31	-179	-68.1	-177	165.5	0	0	112.3	Q1062 V1068	Q1062-E1066 PolarHBondContact O-N 3.37Å; E1066-V1068 PolarHBondContact O-N 3.33Å
1067	V	33.1	Very low	30.7	Very low	82 Å²	82	134.6 Å²	134.6	50%	0.497	66%	0.659	S	S	.	*	H	α-helix	trans	-84	20	177.5	-153.1	0	0	0	0	112.8	K417 D1063 T1065	K417-V1067 PolarHBondContact NZ-O 2.88Å; D1063-V1067 WeakPolarHBondContact O-CG2 3.2Å; T1065-V1067 PolarHBondContact O-N 3.49Å; T1065-V1067 VanDerWaalsContact O-N 3.17Å
1068	V	33.8	Very low	30.4	Very low	96 Å²	96	134 Å²	134	58%	0.582	66%	0.664	S	S	*	*	H	α-helix	trans	-114.6	-28.9	170.7	177.8	0	0	0	0	111.6	V1064 T1065 E1066	V1064-V1068 WeakPolarHBondContact O-CG2 3.48Å; T1065-V1068 WeakPolarHBondContact O-CB 3.42Å; T1065-V1068 PolarHBondContact O-N 3.02Å; E1066-V1068 PolarHBondContact O-N 3.33Å
1069	E	28.7	Very low	30.4	Very low	141 Å²	141	139.3 Å²	139.3	66%	0.659	68%	0.678	S	S	*	*	H	α-helix	trans	-85.4	-5.9	-173.9	-69.3	174.3	172.3	0	0	114.2	R1071	E1069-R1071 PolarHBondContact O-N 3.24Å
1070	V	29.5	Very low	30	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	41.8	174.7	-160.2	0	0	0	0	112.2
1071	R	27	Very low	29.8	Very low	226 Å²	226	136.9 Å²	136.9	85%	0.853	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	33.9	-179.8	-91.7	-163	171.1	-163.7	-5.7	114.6	E1069	E1069-R1071 PolarHBondContact O-N 3.24Å
1072	Q	26.4	Very low	29.7	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	69%	0.689	S	S	*	*			trans	-153.3	85.9	165.1	-112	168.5	-9	0	0	109.9
1073	K	26.3	Very low	29.7	Very low	199 Å²	199	142.5 Å²	142.5	87%	0.865	70%	0.697	S	S	*	*			trans	-160.2	39.5	174.1	-131.5	179.2	-174.3	-173	0	115.3
1074	Y	27.4	Very low	29.6	Very low	231 Å²	231	142.8 Å²	142.8	91%	0.906	71%	0.706	S	S	*	*	S	Bend	trans	-150.3	76.9	164.9	-84.6	-67.2	0	0	0	108.5
1075	D	26.5	Very low	29.6	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	72%	0.723	S	S	*	*			trans	-162.6	155.1	167.1	-95.6	-42.9	0	0	0	107.5
1076	N	26.8	Very low	29.3	Very low	142 Å²	142	148.2 Å²	148.2	76%	0.759	75%	0.745	S	S	*	*			trans	67.1	77	-175.1	-55.2	-32.4	0	0	0	116.5
1077	E	30.6	Very low	29.4	Very low	205 Å²	205	148.1 Å²	148.1	96%	0.958	75%	0.749	S	S	*	*				-92.1	138.6	123.1	-73.1	-167.7	144.4	0	0	107.8
1078	S	27	Very low	29.1	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	76%	0.761	S	S	*	*			trans	-130	127.4	-169.6	-58.1	0	0	0	0	111.8
1079	L	30.3	Very low	29.1	Very low	164 Å²	164	154.7 Å²	154.7	86%	0.859	78%	0.777	S	S	*	*			trans	-161.2	79.4	164.4	-94.9	173.5	0	0	0	107
1080	E	25.8	Very low	29	Very low	168 Å²	168	152 Å²	152	79%	0.785	77%	0.774	S	S	*	*				84.1	153.8	73.3	-154.3	-166.2	-111.1	0	0	113.7
1081	I	30.4	Very low	29.1	Very low	107 Å²	107	151.8 Å²	151.8	55%	0.549	77%	0.768	S	S	.	*			trans	92.2	96.9	161.7	-53.2	-178.6	0	0	0	119.2
1082	R	29.2	Very low	29.2	Very low	212 Å²	212	147.6 Å²	147.6	80%	0.8	76%	0.763	S	S	*	*			trans	71.2	151.5	144.3	-59.6	170.9	-166.9	162.8	6	120.2
1083	N	31	Very low	29.4	Very low	133 Å²	133	148 Å²	148	71%	0.711	77%	0.765	S	S	*	*			cis	-162.8	131	-19.9	-104.1	0.4	0	0	0	111.5
1084	S	31.8	Very low	29.4	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	76%	0.764	S	S	*	*			trans	13.9	163.3	137.5	66.9	0	0	0	0	124.1
1085	P	35.4	Very low	29.6	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	76%	0.761	S	S	*	*			cis	-147.8	-158.9	-48.1	44.7	-25.2	0	0	0	114.2
1086	S	28.7	Very low	29.6	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	76%	0.758	S	S	*	*			trans	89.4	152	146.8	59.5	0	0	0	0	123.9
1087	D	31	Very low	29.6	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	76%	0.76	S	S	*	*			trans	72.1	118.7	169.1	-57.6	-55.6	0	0	0	119
1088	N	27.1	Very low	29.7	Very low	138 Å²	138	136.4 Å²	136.4	74%	0.738	75%	0.753	S	S	*	*			cis	101.1	106.4	34.8	-81	-41.7	0	0	0	112
1089	L	33.4	Very low	29.6	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	76%	0.76	S	S	*	*				-179.5	171.8	128	-98.5	161.7	0	0	0	111.8
1090	S	27.8	Very low	29.6	Very low	84 Å²	84	135 Å²	135	59%	0.587	76%	0.757	S	S	*	*			trans	-110.6	158.9	-166.9	46.8	0	0	0	0	113.8
1091	D	31.3	Very low	29.7	Very low	122 Å²	122	131.3 Å²	131.3	65%	0.652	76%	0.755	S	S	*	*				148.9	118.5	114.4	-85	-62.8	0	0	0	115.7
1092	N	29	Very low	29.7	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	77%	0.768	S	S	*	*			trans	66.8	157.5	139	-56.5	-42.4	0	0	0	124.4
1093	E	31.1	Very low	29.6	Very low	195 Å²	195	128.6 Å²	128.6	91%	0.911	77%	0.769	S	S	*	*			trans	78.5	142.3	169	-52.6	-153.6	142.9	0	0	119.2
1094	C	25.9	Very low	29.4	Very low	125 Å²	125	126.6 Å²	126.6	85%	0.845	77%	0.771	S	S	*	*			trans	-103.3	150.3	-161.5	-57	0	0	0	0	112.6
1095	I	31.6	Very low	29.3	Very low	164 Å²	164	128.3 Å²	128.3	84%	0.841	77%	0.772	S	S	*	*			trans	-154.3	152.8	142.3	-96.3	137.5	0	0	0	108.1
1096	D	26.1	Very low	29	Very low	147 Å²	147	129.1 Å²	129.1	79%	0.786	77%	0.769	S	S	*	*			trans	-59.1	136.4	-165.2	-55.9	-87.2	0	0	0	116.6
1097	T	28	Very low	28.9	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	76%	0.755	S	S	*	*			trans	-170.3	123.5	143.8	8.3	0	0	0	0	112.4	S1099	T1097-S1099 PolarHBondContact O-N 2.91Å
1098	P	31	Very low	28.8	Very low	123 Å²	123	126.8 Å²	126.8	80%	0.799	75%	0.753	S	S	*	*			trans	-90.5	92.3	172.9	33.3	-31.8	0	0	0	111.8	S1100	P1098-S1100 PolarHBondContact O-N 2.68Å; P1098-S1100 VanDerWaalsContact O-N 3.17Å
1099	S	26	Very low	28.8	Very low	120 Å²	120	124.3 Å²	124.3	84%	0.839	74%	0.739	S	S	*	*			trans	-82	85.2	174.6	59.9	0	0	0	0	112.2	T1097	T1097-S1099 PolarHBondContact O-N 2.91Å
1100	S	29.9	Very low	28.8	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	71%	0.706	S	S	*	*			trans	-87.9	106	170.2	48.6	0	0	0	0	111.6	P1098	P1098-S1100 PolarHBondContact O-N 2.68Å; P1098-S1100 VanDerWaalsContact O-N 3.17Å
1101	A	27.5	Very low	29	Very low	90 Å²	90	116.5 Å²	116.5	74%	0.744	69%	0.692	S	S	*	*			trans	-67.2	131.1	171.8	0	0	0	0	0	110.6	V1103	A1101-V1103 PolarHBondContact O-N 2.99Å
1102	P	30.2	Very low	29.2	Very low	127 Å²	127	113.5 Å²	113.5	83%	0.825	67%	0.674	S	S	*	*			trans	-78.6	115.2	178.1	30.5	-32.6	0	0	0	110.8
1103	V	27	Very low	29.5	Very low	136 Å²	136	109 Å²	109	82%	0.824	65%	0.65	S	S	*	*			trans	-74.3	133.9	162.1	179.3	0	0	0	0	107.8	A1101 D1105	A1101-V1103 PolarHBondContact O-N 2.99Å; V1103-D1105 PolarHBondContact O-N 3.4Å
1104	A	27.3	Very low	29.5	Very low	90 Å²	90	102.4 Å²	102.4	74%	0.744	63%	0.626	S	S	*	*			trans	-80	101.5	-164.5	0	0	0	0	0	113.8
1105	D	29	Very low	29.8	Very low	136 Å²	136	99.9 Å²	99.9	73%	0.727	60%	0.603	S	S	*	*			trans	-76.1	123.3	168.6	-79.2	-53.3	0	0	0	112.2	V1103 E1107	V1103-D1105 PolarHBondContact O-N 3.4Å; D1105-E1107 VanDerWaalsContact C-N 3.35Å; D1105-E1107 PolarHBondContact O-N 2.86Å
1106	I	29.1	Very low	29.9	Very low	128 Å²	128	93.8 Å²	93.8	66%	0.656	58%	0.577	S	S	*	*			trans	-86.3	73.6	-176.8	-51	179.7	0	0	0	110.1
1107	E	26.8	Very low	30.2	Very low	81 Å²	81	91.7 Å²	91.7	38%	0.379	56%	0.563	S	S	.	*			trans	-59.4	173.6	160.9	-86.2	-157.1	139.6	0	0	110.6	R713 D1105 I1109 K1236	R713-E1107 IonicContact CZ-OE1 2.94Å; R713-E1107 IonicContact CZ-OE2 3.33Å; R713-E1107 IonicContact NH1-OE1 2.78Å; R713-E1107 PolarHBondContact NH1-OE1 3.49Å; R713-E1107 IonicContact NH1-OE2 3.19Å; R713-E1107 IonicContact NH2-OE1 3.68Å; R713-E1107 PolarHBondContact NH2-OE1 3.25Å; R713-E1107 IonicContact NH2-OE2 3.63Å; R713-E1107 PolarHBondContact NH2-OE2 2.86Å; D1105-E1107 VanDerWaalsContact C-N 3.35Å; D1105-E1107 PolarHBondContact O-N 2.86Å; E1107-I1109 VanDerWaalsContact C-N 3.26Å; E1107-I1109 PolarHBondContact O-N 3.2Å; E1107-K1236 PolarHBondContact O-NZ 2.87Å
1108	C	28.9	Very low	30.5	Very low	98 Å²	98	87.7 Å²	87.7	66%	0.662	54%	0.54	S	S	*	.			trans	-77.9	75.7	174.8	-75.6	0	0	0	0	111.8	T1110	C1108-T1110 PolarHBondContact O-N 3.49Å
1109	I	28.4	Very low	30.6	Very low	85 Å²	85	86.3 Å²	86.3	44%	0.436	53%	0.526	S	S	.	.			trans	-45.8	125.6	164.6	-57	173.6	0	0	0	108.6	E1107 D1113	E1107-I1109 VanDerWaalsContact C-N 3.26Å; E1107-I1109 PolarHBondContact O-N 3.2Å; I1109-D1113 HydrophobicContact CG2-CB 4.14Å
1110	T	33.2	Very low	30.9	Very low	39 Å²	39	88.4 Å²	88.4	24%	0.239	52%	0.515	C	S	.	.			trans	-67.6	149.4	176.1	75.9	0	0	0	0	109.7	I665 C1108 E1112 D1113 S1114	I665-T1110 HydrophobicContact CD1-CG2 4.24Å; C1108-T1110 PolarHBondContact O-N 3.49Å; T1110-E1112 PolarHBondContact O-N 3.02Å; T1110-E1112 VanDerWaalsContact O-N 3.13Å; T1110-D1113 PolarHBondContact O-N 2.87Å; T1110-D1113 VanDerWaalsContact O-N 3.12Å; T1110-D1113 PolarHBondContact OG1-N 2.95Å; T1110-D1113 PolarHBondContact OG1-OD2 2.74Å; T1110-S1114 PolarHBondContact O-N 2.56Å
1111	I	31.6	Very low	31.1	Very low	59 Å²	59	89.1 Å²	89.1	30%	0.303	51%	0.506	S	S	.	.	H	α-helix	trans	-59.8	-28.8	-178.2	-64.4	174	0	0	0	111.2	I1115 M1235 I1238	I1111-I1115 HydrophobicContact CG2-CD1 4.07Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.5Å; I1111-I1115 PolarHBondContact O-N 3.33Å; I1111-M1235 WeakPolarHBondContact CD1-O 3.47Å; I1111-I1238 HydrophobicContact CG2-CB 4.45Å; I1111-I1238 HydrophobicContact CG2-CD1 3.51Å; I1111-I1238 HydrophobicContact CG2-CG1 3.75Å
1112	E	36.4	Very low	31.5	Very low	59 Å²	59	90.9 Å²	90.9	28%	0.276	50%	0.502	S	S	.	.	H	α-helix	trans	-71.7	-40.2	176.8	-56.5	-158	130.4	0	0	113	K578 T1110 A1116	K578-E1112 IonicContact NZ-OE1 2.84Å; K578-E1112 PolarHBondContact NZ-OE1 3.05Å; T1110-E1112 PolarHBondContact O-N 3.02Å; T1110-E1112 VanDerWaalsContact O-N 3.13Å; E1112-A1116 WeakPolarHBondContact O-CB 3.48Å; E1112-A1116 PolarHBondContact O-N 3.48Å; E1112-A1116 VanDerWaalsContact O-N 3.08Å
1113	D	35.1	Very low	31.7	Very low	44 Å²	44	89.3 Å²	89.3	24%	0.235	49%	0.494	C	S	.	.	H	α-helix	trans	-72.4	-37.4	176.6	-65.3	-57.8	0	0	0	111.6	R706 I1109 T1110 I1115 A1116 Q1117	R706-D1113 IonicContact NE-OD1 2.81Å; R706-D1113 IonicContact NH2-OD1 3.27Å; I1109-D1113 HydrophobicContact CG2-CB 4.14Å; T1110-D1113 PolarHBondContact O-N 2.87Å; T1110-D1113 VanDerWaalsContact O-N 3.12Å; T1110-D1113 PolarHBondContact OG1-N 2.95Å; T1110-D1113 PolarHBondContact OG1-OD2 2.74Å; D1113-I1115 VanDerWaalsContact C-N 3.3Å; D1113-I1115 PolarHBondContact O-N 3.24Å; D1113-A1116 PolarHBondContact O-N 3.33Å; D1113-Q1117 WeakPolarHBondContact O-CB 3.38Å; D1113-Q1117 PolarHBondContact O-N 3.18Å
1114	S	30.2	Very low	31.8	Very low	56 Å²	56	89.6 Å²	89.6	39%	0.392	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-37.4	176.3	-171.5	0	0	0	0	112.3	T1110 S1118	T1110-S1114 PolarHBondContact O-N 2.56Å; S1114-S1118 WeakPolarHBondContact O-CB 3.42Å; S1114-S1118 PolarHBondContact O-N 3.31Å; S1114-S1118 VanDerWaalsContact O-N 3.07Å; S1114-S1118 PolarHBondContact O-OG 2.7Å
1115	I	33.2	Very low	31.9	Very low	72 Å²	72	91 Å²	91	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-71.2	-43.2	175.2	-70.9	170.2	0	0	0	110.4	I1111 D1113 Q1117 L1119 I1238	I1111-I1115 HydrophobicContact CG2-CD1 4.07Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.5Å; I1111-I1115 PolarHBondContact O-N 3.33Å; D1113-I1115 VanDerWaalsContact C-N 3.3Å; D1113-I1115 PolarHBondContact O-N 3.24Å; I1115-Q1117 VanDerWaalsContact C-N 3.25Å; I1115-Q1117 PolarHBondContact O-N 2.94Å; I1115-L1119 HydrophobicContact CG2-CD1 3.67Å; I1115-L1119 HydrophobicContact CG2-CG 4.32Å; I1115-L1119 WeakPolarHBondContact O-CB 3.43Å; I1115-L1119 VanDerWaalsContact O-CG 3.29Å; I1115-L1119 WeakPolarHBondContact O-CG 3.39Å; I1115-L1119 PolarHBondContact O-N 3.17Å; I1115-I1238 HydrophobicContact CD1-CB 4.28Å; I1115-I1238 HydrophobicContact CD1-CD1 3.96Å; I1115-I1238 HydrophobicContact CD1-CG2 4.45Å
1116	A	33.2	Very low	31.8	Very low	37 Å²	37	94.2 Å²	94.2	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-28.9	177.3	0	0	0	0	0	113.4	E1112 D1113 R1120	E1112-A1116 WeakPolarHBondContact O-CB 3.48Å; E1112-A1116 PolarHBondContact O-N 3.48Å; E1112-A1116 VanDerWaalsContact O-N 3.08Å; D1113-A1116 PolarHBondContact O-N 3.33Å; A1116-R1120 VanDerWaalsContact O-CD 3.29Å; A1116-R1120 WeakPolarHBondContact O-CD 3.22Å; A1116-R1120 WeakPolarHBondContact O-CG 3.32Å; A1116-R1120 PolarHBondContact O-N 3.5Å
1117	Q	33.1	Very low	31.8	Very low	103 Å²	103	97.9 Å²	97.9	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-83.3	-47	179	-160.8	159.5	-3.1	0	0	111.7	D1113 I1115 L1119 R1120 E1121	D1113-Q1117 WeakPolarHBondContact O-CB 3.38Å; D1113-Q1117 PolarHBondContact O-N 3.18Å; I1115-Q1117 VanDerWaalsContact C-N 3.25Å; I1115-Q1117 PolarHBondContact O-N 2.94Å; Q1117-L1119 VanDerWaalsContact C-N 3.33Å; Q1117-L1119 PolarHBondContact O-N 3.26Å; Q1117-R1120 PolarHBondContact O-N 3.42Å; Q1117-R1120 VanDerWaalsContact O-N 3.07Å; Q1117-E1121 PolarHBondContact O-N 3.06Å
1118	S	33	Very low	31.8	Very low	46 Å²	46	100 Å²	100	32%	0.322	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-36.7	174.3	-61.3	0	0	0	0	113.1	S1114 R1120 E1121 I1122	S1114-S1118 WeakPolarHBondContact O-CB 3.42Å; S1114-S1118 PolarHBondContact O-N 3.31Å; S1114-S1118 VanDerWaalsContact O-N 3.07Å; S1114-S1118 PolarHBondContact O-OG 2.7Å; S1118-R1120 VanDerWaalsContact C-N 3.32Å; S1118-R1120 PolarHBondContact O-N 3.04Å; S1118-E1121 PolarHBondContact O-N 3.01Å; S1118-I1122 WeakPolarHBondContact O-CB 3.11Å; S1118-I1122 WeakPolarHBondContact O-CD1 3.2Å; S1118-I1122 VanDerWaalsContact O-CG1 3.27Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.3Å; S1118-I1122 PolarHBondContact O-N 3.47Å
1119	L	34	Very low	31.8	Very low	95 Å²	95	101.6 Å²	101.6	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-71.3	-24.7	175.1	-69.8	174.1	0	0	0	113.3	I1115 Q1117 S1123	I1115-L1119 HydrophobicContact CG2-CD1 3.67Å; I1115-L1119 HydrophobicContact CG2-CG 4.32Å; I1115-L1119 WeakPolarHBondContact O-CB 3.43Å; I1115-L1119 VanDerWaalsContact O-CG 3.29Å; I1115-L1119 WeakPolarHBondContact O-CG 3.39Å; I1115-L1119 PolarHBondContact O-N 3.17Å; Q1117-L1119 VanDerWaalsContact C-N 3.33Å; Q1117-L1119 PolarHBondContact O-N 3.26Å; L1119-S1123 WeakPolarHBondContact O-CB 3.47Å; L1119-S1123 PolarHBondContact O-N 2.85Å; L1119-S1123 PolarHBondContact O-OG 3.48Å
1120	R	32	Very low	31.8	Very low	163 Å²	163	102.7 Å²	102.7	62%	0.615	55%	0.554	S	S	*	*	H	α-helix	trans	-77.3	-37.8	172.6	-77.1	171.6	-172.2	173.3	5	112.2	A1116 Q1117 S1118 S1123 I1124	A1116-R1120 VanDerWaalsContact O-CD 3.29Å; A1116-R1120 WeakPolarHBondContact O-CD 3.22Å; A1116-R1120 WeakPolarHBondContact O-CG 3.32Å; A1116-R1120 PolarHBondContact O-N 3.5Å; Q1117-R1120 PolarHBondContact O-N 3.42Å; Q1117-R1120 VanDerWaalsContact O-N 3.07Å; S1118-R1120 VanDerWaalsContact C-N 3.32Å; S1118-R1120 PolarHBondContact O-N 3.04Å; R1120-S1123 PolarHBondContact O-N 3.36Å; R1120-I1124 WeakPolarHBondContact O-CG1 3.43Å
1121	E	34.2	Very low	31.6	Very low	128 Å²	128	111.3 Å²	111.3	60%	0.598	58%	0.582	S	S	*	*	H	α-helix	trans	-73.7	-28	178.1	-72.5	166.5	-170.4	0	0	112.2	Q1117 S1118	Q1117-E1121 PolarHBondContact O-N 3.06Å; S1118-E1121 PolarHBondContact O-N 3.01Å
1122	I	36.4	Very low	31.5	Very low	126 Å²	126	113.5 Å²	113.5	65%	0.646	60%	0.602	S	S	*	*	H	α-helix	trans	-76.4	-23.5	172.1	-69.4	167.9	0	0	0	112.7	S1118	S1118-I1122 WeakPolarHBondContact O-CB 3.11Å; S1118-I1122 WeakPolarHBondContact O-CD1 3.2Å; S1118-I1122 VanDerWaalsContact O-CG1 3.27Å; S1118-I1122 WeakPolarHBondContact O-CG1 3.3Å; S1118-I1122 PolarHBondContact O-N 3.47Å
1123	S	33.7	Very low	31.3	Very low	95 Å²	95	118.6 Å²	118.6	66%	0.664	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	6.2	-175.7	-58.8	0	0	0	0	115	L1119 R1120	L1119-S1123 WeakPolarHBondContact O-CB 3.47Å; L1119-S1123 PolarHBondContact O-N 2.85Å; L1119-S1123 PolarHBondContact O-OG 3.48Å; R1120-S1123 PolarHBondContact O-N 3.36Å
1124	I	30	Very low	31	Very low	142 Å²	142	123.4 Å²	123.4	73%	0.728	65%	0.651	S	S	*	*	S	Bend	trans	-126.1	42.2	-175.1	-50.8	169.5	0	0	0	112.2	R1120	R1120-I1124 WeakPolarHBondContact O-CG1 3.43Å
1125	T	28.6	Very low	31	Very low	118 Å²	118	128 Å²	128	72%	0.724	67%	0.672	S	S	*	*			trans	-143.5	28.4	175.3	1.3	0	0	0	0	116
1126	Q	27.5	Very low	30.9	Very low	204 Å²	204	131.2 Å²	131.2	95%	0.953	69%	0.685	S	S	*	*			trans	-112.8	79.1	162.4	-70.7	-162.9	1.2	0	0	111.8
1127	K	29.2	Very low	30.7	Very low	205 Å²	205	136.8 Å²	136.8	89%	0.891	70%	0.702	S	S	*	*			trans	-93	131	157.1	-90.7	-173.4	174.3	179.1	0	109.3
1128	T	26.2	Very low	30.5	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	71%	0.712	S	S	*	*			trans	-61	125.2	-179.5	39.5	0	0	0	0	112.9	S1130	T1128-S1130 PolarHBondContact O-N 2.58Å; T1128-S1130 VanDerWaalsContact O-N 3.17Å
1129	P	29.5	Very low	30.3	Very low	131 Å²	131	139.7 Å²	139.7	85%	0.851	73%	0.725	S	S	*	*			trans	-84.3	79.8	167.2	33.4	-32.2	0	0	0	110	R1131	P1129-R1131 PolarHBondContact O-N 2.9Å
1130	S	27.8	Very low	30.1	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	74%	0.735	S	S	*	*			trans	-80.6	95.2	175.5	59.3	0	0	0	0	111.4	T1128	T1128-S1130 PolarHBondContact O-N 2.58Å; T1128-S1130 VanDerWaalsContact O-N 3.17Å
1131	R	29	Very low	30	Very low	220 Å²	220	142.5 Å²	142.5	83%	0.83	74%	0.74	S	S	*	*			trans	-149	98.1	165.3	-130.4	177.2	-172.9	174.4	2.2	111.8	P1129	P1129-R1131 PolarHBondContact O-N 2.9Å
1132	S	29	Very low	29.9	Very low	104 Å²	104	140 Å²	140	73%	0.727	74%	0.737	S	S	*	*			trans	-72.7	143.6	161.7	43.6	0	0	0	0	109.9
1133	H	32.6	Very low	29.5	Very low	167 Å²	167	140.5 Å²	140.5	77%	0.773	74%	0.741	S	S	*	*			trans	-146.3	81	166.1	-106.1	-68.2	0	0	0	108
1134	D	29.6	Very low	29.3	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	75%	0.748	S	S	*	*			trans	-76.7	120.1	167.2	-66.9	-64	0	0	0	109.2
1135	N	29.5	Very low	29.2	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	75%	0.747	S	S	*	*			trans	-164.2	128.1	142.2	-109.2	-24.7	0	0	0	113
1136	E	30	Very low	29.2	Very low	138 Å²	138	146.9 Å²	146.9	65%	0.645	75%	0.753	S	S	*	*			trans	69.4	113.8	149.3	-56.2	-131.6	118.6	0	0	121.8
1137	K	30.7	Very low	29.3	Very low	154 Å²	154	143.5 Å²	143.5	67%	0.67	75%	0.747	S	S	*	*				82.7	98.1	126	-69.1	172.2	-174.9	150.7	0	121.3
1138	S	27.7	Very low	29.5	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	74%	0.736	S	S	*	*				85.9	132.8	110.6	69.7	0	0	0	0	122.4
1139	D	29	Very low	29.8	Very low	113 Å²	113	140 Å²	140	60%	0.604	74%	0.738	S	S	*	*			trans	83.3	110.9	137.6	-76.5	22.5	0	0	0	122.7
1140	K	30.6	Very low	29.9	Very low	159 Å²	159	140.5 Å²	140.5	69%	0.691	73%	0.729	S	S	*	*			trans	73.8	161.9	130.6	-60.8	174.1	176.3	134.7	0	118.6
1141	E	29.8	Very low	30.1	Very low	157 Å²	157	141.7 Å²	141.7	73%	0.734	72%	0.722	S	S	*	*			cis	-167.9	158.4	-25	-101.3	-177.9	-103.8	0	0	107
1142	S	30.7	Very low	30	Very low	77 Å²	77	141.3 Å²	141.3	54%	0.538	73%	0.726	S	S	.	*			cis	-165.1	169.5	-17.1	69.8	0	0	0	0	111.1
1143	N	28	Very low	29.9	Very low	135 Å²	135	146.5 Å²	146.5	72%	0.722	73%	0.73	S	S	*	*			trans	51.1	132	148.1	-60.2	-47.4	0	0	0	123.1
1144	I	31.2	Very low	29.8	Very low	158 Å²	158	144.7 Å²	144.7	81%	0.81	73%	0.731	S	S	*	*				161.5	104	118.4	-81.7	157.3	0	0	0	108.7
1145	L	26.6	Very low	29.7	Very low	136 Å²	136	141.9 Å²	141.9	71%	0.712	72%	0.723	S	S	*	*				70.1	93.6	77.5	-92.2	165.8	0	0	0	117.2
1146	K	30.3	Very low	29.8	Very low	196 Å²	196	142.7 Å²	142.7	85%	0.852	73%	0.726	S	S	*	*				168.5	143.5	109.3	-88.6	157.7	-173.5	174.9	0	115.3
1147	T	27.8	Very low	29.6	Very low	133 Å²	133	143.4 Å²	143.4	82%	0.816	73%	0.734	S	S	*	*			trans	-102.7	-170.2	163.8	51.3	0	0	0	0	108.4
1148	P	34.9	Very low	29.6	Very low	104 Å²	104	142 Å²	142	68%	0.675	74%	0.744	S	S	*	*			cis	-147.4	-151.6	16.8	36.4	-8.6	0	0	0	116.1
1149	L	31.5	Very low	29.5	Very low	154 Å²	154	148.7 Å²	148.7	81%	0.806	75%	0.754	S	S	*	*			trans	87.4	142.4	165.4	-58.3	174.7	0	0	0	117.4
1150	H	32.1	Very low	29.5	Very low	141 Å²	141	148.7 Å²	148.7	65%	0.653	76%	0.763	S	S	*	*			cis	-165.1	136.7	-16.7	-170.4	-113.1	0	0	0	112.4
1151	H	31	Very low	29.3	Very low	134 Å²	134	145.6 Å²	145.6	62%	0.62	76%	0.762	S	S	*	*			trans	53.1	123.8	157.3	-80.4	-148.6	0	0	0	122.8
1152	F	28.1	Very low	29.3	Very low	211 Å²	211	147.4 Å²	147.4	93%	0.925	77%	0.767	S	S	*	*				-152	154.5	99.5	-119.4	-85.1	0	0	0	110.3
1153	R	25.7	Very low	29.2	Very low	213 Å²	213	148.1 Å²	148.1	80%	0.804	78%	0.778	S	S	*	*			trans	-161.2	126.1	-161.7	-175.6	-171.7	-170.2	-176.9	4.4	115.8
1154	T	31.1	Very low	29.5	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	78%	0.777	S	S	*	*			trans	-161.2	111.4	157.9	21.7	0	0	0	0	106.7
1155	S	28.4	Very low	29.3	Very low	86 Å²	86	148 Å²	148	60%	0.601	78%	0.777	S	S	*	*				60.1	128.3	64.1	77.3	0	0	0	0	113
1156	L	30.8	Very low	29.5	Very low	171 Å²	171	147.7 Å²	147.7	90%	0.895	78%	0.775	S	S	*	*			cis	-135.2	166.8	41.2	-78.6	159.3	0	0	0	115.6
1157	N	26.1	Very low	29.3	Very low	152 Å²	152	142.6 Å²	142.6	81%	0.813	77%	0.765	S	S	*	*			trans	-109.6	157.6	176.2	-65.8	-72.5	0	0	0	111.8
1158	S	30	Very low	29.4	Very low	126 Å²	126	142.5 Å²	142.5	88%	0.881	76%	0.759	S	S	*	*			trans	-149.4	137.9	135.1	57.1	0	0	0	0	111
1159	R	25.7	Very low	29.1	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	76%	0.758	S	S	*	*			trans	-125.2	136.3	-179.6	-76	173.3	163.1	-177.9	-6.1	109.8
1160	S	29.2	Very low	29.1	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	75%	0.753	S	S	*	*			trans	174.8	128.7	137.6	47.2	0	0	0	0	109.3
1161	S	25.6	Very low	28.8	Very low	95 Å²	95	149.3 Å²	149.3	66%	0.664	76%	0.761	S	S	*	*			cis	95.4	130.6	27.8	76.4	0	0	0	0	115
1162	F	30.1	Very low	28.8	Very low	194 Å²	194	148.2 Å²	148.2	85%	0.851	77%	0.768	S	S	*	*			trans	105.8	92.5	167.3	-69.2	-76.9	0	0	0	120.1
1163	A	28.7	Very low	28.7	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	76%	0.763	S	S	*	*				61.8	152.5	115.1	0	0	0	0	0	122.6
1164	P	34.8	Very low	29.3	Very low	106 Å²	106	139.5 Å²	139.5	69%	0.688	76%	0.758	S	S	*	*			trans	-120.2	171.8	-163.1	42.8	-30.2	0	0	0	115.7
1165	F	27.6	Very low	29.3	Very low	184 Å²	184	141.1 Å²	141.1	81%	0.807	76%	0.761	S	S	*	*				173.6	156.9	122.1	-106.7	-75	0	0	0	114.4
1166	N	29.1	Very low	29.2	Very low	129 Å²	129	142.1 Å²	142.1	69%	0.69	77%	0.767	S	S	*	*			trans	63.2	95.5	149.2	-75	-18.5	0	0	0	123.4
1167	S	27.5	Very low	29.3	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	77%	0.765	S	S	*	*				76.9	140	107.2	78.9	0	0	0	0	123.4
1168	N	28.4	Very low	29.4	Very low	132 Å²	132	143.5 Å²	143.5	71%	0.706	77%	0.768	S	S	*	*			trans	102.6	123.6	134.5	-75.8	-20	0	0	0	123.3
1169	F	29.1	Very low	29.5	Very low	148 Å²	148	147.1 Å²	147.1	65%	0.649	77%	0.768	S	S	*	*			trans	98.4	122.6	136.5	-80.8	-50.6	0	0	0	123.7
1170	Y	31.9	Very low	29.6	Very low	181 Å²	181	139.9 Å²	139.9	71%	0.71	75%	0.754	S	S	*	*			trans	69.1	146.7	141.7	-70.8	-39.8	0	0	0	120
1171	R	26.6	Very low	29.7	Very low	213 Å²	213	140.5 Å²	140.5	80%	0.804	75%	0.753	S	S	*	*			cis	-165.7	172.7	-17.9	-158.9	174.6	-174.2	-171	2.5	109.3
1172	S	30.5	Very low	29.9	Very low	111 Å²	111	145.2 Å²	145.2	78%	0.776	76%	0.762	S	S	*	*			trans	102.2	134.4	149.3	77.7	0	0	0	0	119.7
1173	T	25.7	Very low	29.8	Very low	135 Å²	135	143.6 Å²	143.6	83%	0.828	76%	0.76	S	S	*	*			trans	-142.1	-168.2	178.9	49.6	0	0	0	0	106.2
1174	P	37.7	Very low	30	Very low	105 Å²	105	145 Å²	145	68%	0.682	76%	0.761	S	S	*	*				-119.4	-170.1	-69.1	38.2	-23.1	0	0	0	111.2
1175	L	31.1	Very low	30	Very low	164 Å²	164	145 Å²	145	86%	0.859	76%	0.761	S	S	*	*			trans	166.9	128.7	132.9	-91.3	159	0	0	0	116.4
1176	S	27.4	Very low	30	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	76%	0.761	S	S	*	*			trans	34.8	129.5	135.1	-164.8	0	0	0	0	123.2
1177	S	32.2	Very low	30.1	Very low	122 Å²	122	146.1 Å²	146.1	85%	0.853	76%	0.762	S	S	*	*				-172.6	167.6	105	57	0	0	0	0	115.2
1178	R	28.9	Very low	30.1	Very low	230 Å²	230	148.9 Å²	148.9	87%	0.868	77%	0.765	S	S	*	*			trans	-96.6	158	-160.8	-57.7	159.9	163.3	168.2	-8.7	115.5
1179	K	32.2	Very low	30.2	Very low	202 Å²	202	150.2 Å²	150.2	88%	0.878	77%	0.765	S	S	*	*				149.5	156.8	129.5	-84.2	165.1	-176.3	179.9	0	111.8
1180	S	27.6	Very low	30	Very low	87 Å²	87	150.1 Å²	150.1	61%	0.608	77%	0.766	S	S	*	*			cis	-178.6	159.2	-31.5	54.2	0	0	0	0	110.5
1181	T	30.3	Very low	29.8	Very low	125 Å²	125	149.5 Å²	149.5	77%	0.767	77%	0.77	S	S	*	*			trans	70.3	152.9	167.9	67.5	0	0	0	0	117.1
1182	K	30.8	Very low	29.8	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	77%	0.772	S	S	*	*			cis	-154.3	172.8	2.4	-131.7	165.2	-172.7	-177.7	0	111.9
1183	I	27.6	Very low	29.5	Very low	160 Å²	160	143.7 Å²	143.7	82%	0.821	77%	0.773	S	S	*	*			trans	-140.5	128.1	-174.5	-56	161.7	0	0	0	110.2
1184	P	33.3	Very low	29.6	Very low	122 Å²	122	145 Å²	145	79%	0.792	77%	0.77	S	S	*	*				-141.9	-178.4	121.6	34.3	-16.1	0	0	0	114.1
1185	P	34.2	Very low	29.2	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	77%	0.769	S	S	*	*			trans	-135.7	-174.3	-154.8	46.2	-31.5	0	0	0	118.1
1186	K	27.4	Very low	29.1	Very low	182 Å²	182	145.4 Å²	145.4	79%	0.791	76%	0.762	S	S	*	*			trans	70.9	162.5	151	-76.3	-170.3	167.2	-167.2	0	121.1
1187	E	31	Very low	29.1	Very low	155 Å²	155	146.2 Å²	146.2	72%	0.724	76%	0.758	S	S	*	*			trans	99.7	100.5	150.8	-49.2	-150	165.3	0	0	121
1188	H	28.4	Very low	29	Very low	147 Å²	147	147.9 Å²	147.9	68%	0.681	75%	0.752	S	S	*	*				83.8	147	124.1	-88.2	-82	0	0	0	124.6
1189	F	29.6	Very low	29.2	Very low	161 Å²	161	143 Å²	143	71%	0.706	74%	0.743	S	S	*	*			trans	55.3	96.2	160.6	-67.9	-67.1	0	0	0	120.8
1190	E	25.5	Very low	29.2	Very low	145 Å²	145	141.3 Å²	141.3	68%	0.678	74%	0.743	S	S	*	*				33.6	113.9	96	-151.3	-165.7	-94.4	0	0	117.2
1191	Q	28.9	Very low	29.4	Very low	169 Å²	169	141 Å²	141	79%	0.79	75%	0.753	S	S	*	*				173.3	175.2	113.1	-89.3	177.4	22.1	0	0	112.8
1192	C	25.6	Very low	29.4	Very low	123 Å²	123	141.9 Å²	141.9	83%	0.831	75%	0.753	S	S	*	*			trans	-53.3	153.7	-163.2	-58.8	0	0	0	0	117.5
1193	G	23.7	Very low	29.5	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	76%	0.756	S	S	*	*			trans	-105.4	130.1	164	0	0	0	0	0	112.8
1194	Q	29	Very low	29.6	Very low	164 Å²	164	140.8 Å²	140.8	77%	0.766	76%	0.755	S	S	*	*			trans	-147.1	144.6	160.5	-79	175.4	-83.3	0	0	104.5
1195	E	29.3	Very low	29.5	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.664	76%	0.757	S	S	*	*			cis	-155.1	154.6	4.1	-118.9	158.6	-155.2	0	0	110.9
1196	L	28.1	Very low	29.5	Very low	135 Å²	135	141 Å²	141	71%	0.707	76%	0.759	S	S	*	*			trans	30.7	125.9	146	-61.6	166.5	0	0	0	122.4
1197	N	27.8	Very low	29.7	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	76%	0.762	S	S	*	*			trans	69.2	156.2	132.2	-58.2	16.2	0	0	0	118.6
1198	E	31	Very low	29.5	Very low	158 Å²	158	138.6 Å²	138.6	74%	0.738	77%	0.765	S	S	*	*			cis	-151.5	-170.4	6.7	-139	142.5	-122.4	0	0	112
1199	D	32.3	Very low	29.6	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	78%	0.776	S	S	*	*			trans	77	94.8	160.1	-70.5	-9.9	0	0	0	124.1
1200	L	32.5	Very low	29.6	Very low	166 Å²	166	139 Å²	139	87%	0.869	77%	0.77	S	S	*	*				65.7	127	115.4	-67.3	164.4	0	0	0	122.9
1201	G	31.4	Very low	29.8	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	77%	0.774	S	S	*	*			trans	161.2	88.6	157.1	0	0	0	0	0	117.6
1202	D	30.1	Very low	30.1	Very low	144 Å²	144	132.9 Å²	132.9	77%	0.77	76%	0.763	S	S	*	*			trans	-66.9	143	176.9	-80.8	-73.9	0	0	0	116
1203	V	32.6	Very low	30.3	Very low	149 Å²	149	135.2 Å²	135.2	90%	0.903	76%	0.762	S	S	*	*				-149.6	144.6	129.5	179.5	0	0	0	0	109.8
1204	K	30.3	Very low	30.5	Very low	181 Å²	181	138.5 Å²	138.5	79%	0.787	76%	0.761	S	S	*	*			trans	-104	150.4	-168.8	-54.9	170.7	-178.2	177.2	0	114.8
1205	S	32.1	Very low	30.5	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	77%	0.767	S	S	*	*			trans	-163.8	159.8	142.1	56.8	0	0	0	0	111.4
1206	P	32.9	Very low	30.4	Very low	112 Å²	112	140.6 Å²	140.6	73%	0.727	77%	0.765	S	S	*	*			trans	-123.1	169	-145.6	42.7	-33	0	0	0	117.2
1207	T	32.1	Very low	30.4	Very low	139 Å²	139	142.5 Å²	142.5	85%	0.853	77%	0.77	S	S	*	*				-175.3	149	121.4	28.8	0	0	0	0	111.3
1208	D	27.4	Very low	30.4	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	76%	0.758	S	S	*	*			trans	-90.5	143.3	-173.4	-45	-92.2	0	0	0	114.1
1209	F	28.9	Very low	30.3	Very low	210 Å²	210	139.6 Å²	139.6	92%	0.921	76%	0.758	S	S	*	*			trans	-165.6	98.3	148.1	-109.5	-69.5	0	0	0	110.1
1210	D	30.1	Very low	30.3	Very low	105 Å²	105	135.4 Å²	135.4	56%	0.561	74%	0.735	S	S	*	*			trans	-94	120.1	173.8	178.6	10.9	0	0	0	110.9	A1212	D1210-A1212 VanDerWaalsContact C-N 3.34Å; D1210-A1212 WeakPolarHBondContact OD1-CB 3.5Å; D1210-A1212 PolarHBondContact OD1-N 2.84Å
1211	P	30.5	Very low	30	Very low	119 Å²	119	131.1 Å²	131.1	77%	0.773	72%	0.719	S	S	*	*			trans	-77	-9.8	176.4	-14.3	30.7	0	0	0	115.3	Q1213	P1211-Q1213 PolarHBondContact O-N 2.98Å
1212	A	33.7	Very low	30.1	Very low	67 Å²	67	132.3 Å²	132.3	55%	0.554	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-14.9	-158.6	0	0	0	0	0	116.8	D1210	D1210-A1212 VanDerWaalsContact C-N 3.34Å; D1210-A1212 WeakPolarHBondContact OD1-CB 3.5Å; D1210-A1212 PolarHBondContact OD1-N 2.84Å
1213	Q	30.5	Very low	30.4	Very low	173 Å²	173	132.5 Å²	132.5	81%	0.808	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	7.2	-163.3	-63.2	-164.7	-1.1	0	0	117.2	P1211	P1211-Q1213 PolarHBondContact O-N 2.98Å
1214	N	28.2	Very low	30.6	Very low	147 Å²	147	129.7 Å²	129.7	79%	0.786	69%	0.685	S	S	*	*			trans	-106.7	23	-171.8	-99.9	-34	0	0	0	116.6	I1216	N1214-I1216 PolarHBondContact O-N 3.09Å
1215	Y	29	Very low	31	Very low	229 Å²	229	124.3 Å²	124.3	90%	0.898	66%	0.664	S	S	*	*			trans	-83.9	90.8	173.5	-81.7	-79.6	0	0	0	112.5	H1217	Y1215-H1217 PolarHBondContact O-N 3.32Å
1216	I	27.5	Very low	31.4	Very low	121 Å²	121	122.4 Å²	122.4	62%	0.621	64%	0.642	S	S	*	*			trans	-71.8	116.8	172.7	-57.4	177.8	0	0	0	109.8	N1214 M1218	N1214-I1216 PolarHBondContact O-N 3.09Å; I1216-M1218 HydrophobicContact CG2-CG 4.11Å; I1216-M1218 PolarHBondContact O-N 2.99Å
1217	H	27.7	Very low	31.7	Very low	175 Å²	175	120.5 Å²	120.5	81%	0.81	63%	0.626	S	S	*	*			trans	-72.2	94.8	179.1	-168.3	-68.1	0	0	0	111.4	Y1215	Y1215-H1217 PolarHBondContact O-N 3.32Å
1218	M	27.7	Very low	31.9	Very low	80 Å²	80	118.3 Å²	118.3	39%	0.394	61%	0.609	S	S	.	*			trans	-96.6	112.4	-179.1	-72.1	172	-73.1	0	0	111.5	M562 I1216 I1220	M562-M1218 HydrophobicContact CB-CE 4.5Å; M562-M1218 HydrophobicContact CB-SD 4.08Å; M562-M1218 HydrophobicContact CE-CE 3.86Å; M562-M1218 HydrophobicContact CE-SD 3.87Å; M562-M1218 HydrophobicContact CG-CE 4Å; M562-M1218 HydrophobicContact CG-SD 4.1Å; I1216-M1218 HydrophobicContact CG2-CG 4.11Å; I1216-M1218 PolarHBondContact O-N 2.99Å; M1218-I1220 HydrophobicContact CB-CD1 4.16Å
1219	D	28.6	Very low	32.3	Very low	139 Å²	139	113.2 Å²	113.2	74%	0.743	58%	0.582	S	S	*	*			trans	-73.3	135.5	171.1	-175.3	22.7	0	0	0	110.9
1220	I	32.5	Very low	32.6	Very low	38 Å²	38	105.1 Å²	105.1	20%	0.195	55%	0.553	C	S	.	*			trans	-144.4	103	-154.4	-91.8	171.5	0	0	0	107.9	Q563 R823 M1218	Q563-I1220 HydrophobicContact CB-CD1 4.37Å; Q563-I1220 HydrophobicContact CB-CG1 4.1Å; Q563-I1220 VanDerWaalsContact CD-CG2 3.49Å; Q563-I1220 HydrophobicContact CG-CD1 3.93Å; Q563-I1220 HydrophobicContact CG-CG1 3.81Å; Q563-I1220 HydrophobicContact CG-CG2 4.25Å; R823-I1220 PolarHBondContact NE-O 3.09Å; R823-I1220 PolarHBondContact NH2-O 3.4Å; M1218-I1220 HydrophobicContact CB-CD1 4.16Å
1221	S	26.5	Very low	32.7	Very low	77 Å²	77	103.3 Å²	103.3	54%	0.538	54%	0.544	S	S	.	.			trans	-125.1	70.7	-168.8	53.9	0	0	0	0	113.8
1222	M	34.1	Very low	32.9	Very low	105 Å²	105	99.9 Å²	99.9	52%	0.517	52%	0.521	S	S	.	.			trans	-128	118.2	163.9	-74.3	-170.2	61	0	0	111.2	I1224	M1222-I1224 PolarHBondContact O-N 3.15Å; M1222-I1224 VanDerWaalsContact O-N 3.16Å
1223	D	36.1	Very low	33.1	Very low	147 Å²	147	100.9 Å²	100.9	79%	0.786	52%	0.52	S	S	*	.			trans	-75.4	99.4	173.1	-56.5	-44.1	0	0	0	109.1	N1225	D1223-N1225 PolarHBondContact O-N 3Å
1224	I	37.1	Very low	33.3	Very low	91 Å²	91	98.8 Å²	98.8	47%	0.467	51%	0.514	S	S	.	.			trans	-73.2	99.6	172.9	-57.4	179.2	0	0	0	107.9	P569 M1222 E1226 L1229	P569-I1224 HydrophobicContact CG-CD1 4.18Å; M1222-I1224 PolarHBondContact O-N 3.15Å; M1222-I1224 VanDerWaalsContact O-N 3.16Å; I1224-E1226 PolarHBondContact O-N 2.67Å; I1224-L1229 HydrophobicContact CG2-CD1 4.36Å
1225	N	37	Very low	33.4	Very low	68 Å²	68	95.1 Å²	95.1	36%	0.364	49%	0.493	S	S	.	.			trans	-57.2	121.8	176.8	179.1	22.4	0	0	0	111.2	D1223 D1227 D1228 L1229	D1223-N1225 PolarHBondContact O-N 3Å; N1225-D1227 PolarHBondContact O-N 3.03Å; N1225-D1227 PolarHBondContact OD1-N 3.44Å; N1225-D1228 HydrophobicContact CB-CB 4.36Å; N1225-D1228 WeakPolarHBondContact CB-OD2 3.26Å; N1225-D1228 PolarHBondContact ND2-OD2 3.03Å; N1225-D1228 PolarHBondContact O-N 3.34Å; N1225-L1229 PolarHBondContact O-N 2.88Å
1226	E	41.4	Very low	33.6	Very low	80 Å²	80	89.3 Å²	89.3	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-28.2	178	-78.3	-153.1	115.4	0	0	112.6	K798 I1224 D1228 L1229 A1230	K798-E1226 WeakPolarHBondContact CE-OE1 3.45Å; K798-E1226 IonicContact NZ-OE1 3.71Å; K798-E1226 PolarHBondContact NZ-OE1 2.76Å; K798-E1226 IonicContact NZ-OE2 3.87Å; I1224-E1226 PolarHBondContact O-N 2.67Å; E1226-D1228 VanDerWaalsContact C-N 3.3Å; E1226-D1228 PolarHBondContact O-N 2.9Å; E1226-L1229 WeakPolarHBondContact O-CB 3.24Å; E1226-L1229 PolarHBondContact O-N 2.72Å; E1226-A1230 WeakPolarHBondContact O-CB 3.42Å; E1226-A1230 PolarHBondContact O-N 3.12Å
1227	D	38.7	Very low	34.1	Very low	71 Å²	71	85 Å²	85	38%	0.38	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-37.5	172.6	-75.1	-48.1	0	0	0	111	N1225 N1231	N1225-D1227 PolarHBondContact O-N 3.03Å; N1225-D1227 PolarHBondContact OD1-N 3.44Å; D1227-N1231 WeakPolarHBondContact O-CB 3.34Å; D1227-N1231 PolarHBondContact O-N 3.45Å; D1227-N1231 PolarHBondContact O-ND2 3.03Å
1228	D	35.9	Very low	34.6	Very low	93 Å²	93	79.7 Å²	79.7	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-71.2	-34.2	176.3	-68.7	-49.9	0	0	0	111.5	N1225 E1226 T1232	N1225-D1228 HydrophobicContact CB-CB 4.36Å; N1225-D1228 WeakPolarHBondContact CB-OD2 3.26Å; N1225-D1228 PolarHBondContact ND2-OD2 3.03Å; N1225-D1228 PolarHBondContact O-N 3.34Å; E1226-D1228 VanDerWaalsContact C-N 3.3Å; E1226-D1228 PolarHBondContact O-N 2.9Å; D1228-T1232 WeakPolarHBondContact O-CB 3.37Å; D1228-T1232 PolarHBondContact O-N 3.13Å; D1228-T1232 PolarHBondContact O-OG1 2.85Å
1229	L	37.3	Very low	34.9	Very low	43 Å²	43	82.4 Å²	82.4	23%	0.225	44%	0.441	C	S	.	.	H	α-helix	trans	-62.5	-51.6	172.1	-152	85.3	0	0	0	111	L570 I1224 N1225 E1226 V1233	L570-L1229 HydrophobicContact CD1-CD1 4.28Å; L570-L1229 HydrophobicContact CD2-CD1 3.56Å; L570-L1229 HydrophobicContact CD2-CG 4.11Å; L570-L1229 HydrophobicContact CG-CD1 4Å; I1224-L1229 HydrophobicContact CG2-CD1 4.36Å; N1225-L1229 PolarHBondContact O-N 2.88Å; E1226-L1229 WeakPolarHBondContact O-CB 3.24Å; E1226-L1229 PolarHBondContact O-N 2.72Å; L1229-V1233 WeakPolarHBondContact O-CG2 3.34Å; L1229-V1233 PolarHBondContact O-N 3.3Å
1230	A	34.1	Very low	35.6	Very low	39 Å²	39	81.1 Å²	81.1	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-71.6	-36.5	-177.1	0	0	0	0	0	113	E1226 N1234	E1226-A1230 WeakPolarHBondContact O-CB 3.42Å; E1226-A1230 PolarHBondContact O-N 3.12Å; A1230-N1234 PolarHBondContact O-ND2 2.87Å
1231	N	33.8	Very low	35.9	Very low	68 Å²	68	82.4 Å²	82.4	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-73.2	-39.5	175.4	-68.7	-47.7	0	0	0	111	D1227 V1233 N1234 M1235	D1227-N1231 WeakPolarHBondContact O-CB 3.34Å; D1227-N1231 PolarHBondContact O-N 3.45Å; D1227-N1231 PolarHBondContact O-ND2 3.03Å; N1231-V1233 VanDerWaalsContact C-N 3.35Å; N1231-V1233 PolarHBondContact O-N 3.3Å; N1231-N1234 CarbonylContact O-C 3.55Å; N1231-N1234 VanDerWaalsContact O-C 3.3Å; N1231-N1234 WeakPolarHBondContact O-CA 3.45Å; N1231-N1234 PolarHBondContact O-N 3Å; N1231-M1235 VanDerWaalsContact O-CG 3.28Å; N1231-M1235 WeakPolarHBondContact O-CG 3.5Å; N1231-M1235 PolarHBondContact O-N 3.43Å
1232	T	33.4	Very low	36.4	Very low	47 Å²	47	81.6 Å²	81.6	29%	0.288	43%	0.43	S	S	.	.	H	α-helix	trans	-65	-37	178.9	-57	0	0	0	0	112.2	L570 D1228 N1234 M1235 V1241	L570-T1232 HydrophobicContact CD1-CG2 3.69Å; D1228-T1232 WeakPolarHBondContact O-CB 3.37Å; D1228-T1232 PolarHBondContact O-N 3.13Å; D1228-T1232 PolarHBondContact O-OG1 2.85Å; T1232-N1234 PolarHBondContact O-N 3.02Å; T1232-M1235 PolarHBondContact O-N 3.18Å; T1232-M1235 VanDerWaalsContact O-N 3.12Å; T1232-V1241 HydrophobicContact CG2-CG2 4.33Å
1233	V	38.1	Very low	36.7	Very low	88 Å²	88	80 Å²	80	53%	0.533	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	171	172.3	0	0	0	0	112.6	L1229 N1231	L1229-V1233 WeakPolarHBondContact O-CG2 3.34Å; L1229-V1233 PolarHBondContact O-N 3.3Å; N1231-V1233 VanDerWaalsContact C-N 3.35Å; N1231-V1233 PolarHBondContact O-N 3.3Å
1234	N	35	Very low	36.9	Very low	129 Å²	129	82.1 Å²	82.1	69%	0.69	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.7	174.4	-74.5	-85	0	0	0	114.1	A1230 N1231 T1232 K1236	A1230-N1234 PolarHBondContact O-ND2 2.87Å; N1231-N1234 CarbonylContact O-C 3.55Å; N1231-N1234 VanDerWaalsContact O-C 3.3Å; N1231-N1234 WeakPolarHBondContact O-CA 3.45Å; N1231-N1234 PolarHBondContact O-N 3Å; T1232-N1234 PolarHBondContact O-N 3.02Å; N1234-K1236 PolarHBondContact O-N 3.2Å
1235	M	29.5	Very low	37.4	Very low	69 Å²	69	79.2 Å²	79.2	34%	0.34	42%	0.423	S	S	.	.			trans	-76.5	110.8	-172.7	-87.4	-84.6	-78.9	0	0	112	I1111 N1231 T1232 S1237 Q1240	I1111-M1235 WeakPolarHBondContact CD1-O 3.47Å; N1231-M1235 VanDerWaalsContact O-CG 3.28Å; N1231-M1235 WeakPolarHBondContact O-CG 3.5Å; N1231-M1235 PolarHBondContact O-N 3.43Å; T1232-M1235 PolarHBondContact O-N 3.18Å; T1232-M1235 VanDerWaalsContact O-N 3.12Å; M1235-S1237 PolarHBondContact O-N 2.95Å; M1235-Q1240 HydrophobicContact CE-CB 4.37Å
1236	K	34.3	Very low	37.2	Very low	108 Å²	108	78.7 Å²	78.7	47%	0.47	43%	0.434	S	S	.	.	S	Bend	trans	-70.3	65.6	169.7	-70.9	-170.3	172.2	-171.7	0	112.2	E1107 N1234	E1107-K1236 PolarHBondContact O-NZ 2.87Å; N1234-K1236 PolarHBondContact O-N 3.2Å
1237	S	37.6	Very low	37.2	Very low	29 Å²	29	79.6 Å²	79.6	20%	0.203	44%	0.44	C	S	.	.			trans	170.7	113.3	148.4	41.9	0	0	0	0	111.4	M1235 Q1239 Q1240	M1235-S1237 PolarHBondContact O-N 2.95Å; S1237-Q1239 PolarHBondContact O-N 2.76Å; S1237-Q1240 PolarHBondContact O-N 3.15Å; S1237-Q1240 VanDerWaalsContact OG-CG 3.28Å; S1237-Q1240 WeakPolarHBondContact OG-CG 3.47Å
1238	I	38.2	Very low	36.8	Very low	64 Å²	64	81.1 Å²	81.1	33%	0.328	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-29.5	168.1	-89.8	178.7	0	0	0	111.2	I1111 I1115 Q1240 V1241 L1242	I1111-I1238 HydrophobicContact CG2-CB 4.45Å; I1111-I1238 HydrophobicContact CG2-CD1 3.51Å; I1111-I1238 HydrophobicContact CG2-CG1 3.75Å; I1115-I1238 HydrophobicContact CD1-CB 4.28Å; I1115-I1238 HydrophobicContact CD1-CD1 3.96Å; I1115-I1238 HydrophobicContact CD1-CG2 4.45Å; I1238-Q1240 VanDerWaalsContact C-N 3.32Å; I1238-Q1240 PolarHBondContact O-N 3.15Å; I1238-V1241 PolarHBondContact O-N 3.24Å; I1238-L1242 HydrophobicContact CG2-CD1 3.58Å; I1238-L1242 HydrophobicContact CG2-CG 3.87Å; I1238-L1242 WeakPolarHBondContact O-CG 3.37Å; I1238-L1242 PolarHBondContact O-N 3.05Å
1239	Q	34.9	Very low	36.3	Very low	138 Å²	138	84 Å²	84	65%	0.645	46%	0.463	S	S	*	.	H	α-helix	trans	-53.9	-40.9	173.6	-70.7	171.5	-29.4	0	0	113.6	S1237 V1241 L1242 A1243	S1237-Q1239 PolarHBondContact O-N 2.76Å; Q1239-V1241 VanDerWaalsContact C-N 3.31Å; Q1239-V1241 PolarHBondContact O-N 3.21Å; Q1239-L1242 PolarHBondContact O-N 3.39Å; Q1239-A1243 VanDerWaalsContact O-CB 3.32Å; Q1239-A1243 WeakPolarHBondContact O-CB 3.44Å; Q1239-A1243 PolarHBondContact O-N 3.22Å
1240	Q	41.9	Very low	36	Very low	112 Å²	112	87.5 Å²	87.5	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-70.8	-27.8	178.3	-74	-175.4	4.9	0	0	112.8	M1235 S1237 I1238 K1244	M1235-Q1240 HydrophobicContact CE-CB 4.37Å; S1237-Q1240 PolarHBondContact O-N 3.15Å; S1237-Q1240 VanDerWaalsContact OG-CG 3.28Å; S1237-Q1240 WeakPolarHBondContact OG-CG 3.47Å; I1238-Q1240 VanDerWaalsContact C-N 3.32Å; I1238-Q1240 PolarHBondContact O-N 3.15Å; Q1240-K1244 WeakPolarHBondContact O-CB 3.48Å; Q1240-K1244 WeakPolarHBondContact O-CG 3.48Å; Q1240-K1244 PolarHBondContact O-N 3.26Å
1241	V	38.4	Very low	35.6	Very low	64 Å²	64	91.5 Å²	91.5	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-76.7	-41.4	174.2	-175.8	0	0	0	0	110.5	T1232 I1238 Q1239 K1244 S1245	T1232-V1241 HydrophobicContact CG2-CG2 4.33Å; I1238-V1241 PolarHBondContact O-N 3.24Å; Q1239-V1241 VanDerWaalsContact C-N 3.31Å; Q1239-V1241 PolarHBondContact O-N 3.21Å; V1241-K1244 PolarHBondContact O-N 3.05Å; V1241-S1245 WeakPolarHBondContact O-CB 3.48Å; V1241-S1245 PolarHBondContact O-N 3.03Å; V1241-S1245 PolarHBondContact O-OG 3.03Å
1242	L	37.4	Very low	35.4	Very low	61 Å²	61	95.7 Å²	95.7	32%	0.319	53%	0.529	S	S	.	.	H	α-helix	trans	-65.8	-38.3	175.8	-69.4	175	0	0	0	113.1	I1238 Q1239 K1244 S1245 L1248	I1238-L1242 HydrophobicContact CG2-CD1 3.58Å; I1238-L1242 HydrophobicContact CG2-CG 3.87Å; I1238-L1242 WeakPolarHBondContact O-CG 3.37Å; I1238-L1242 PolarHBondContact O-N 3.05Å; Q1239-L1242 PolarHBondContact O-N 3.39Å; L1242-K1244 VanDerWaalsContact C-N 3.34Å; L1242-S1245 WeakPolarHBondContact CA-OG 3.47Å; L1242-S1245 PolarHBondContact O-N 3.15Å; L1242-S1245 PolarHBondContact O-OG 3.36Å; L1242-S1245 VanDerWaalsContact O-OG 3.12Å; L1242-L1248 HydrophobicContact CB-CD1 3.96Å; L1242-L1248 HydrophobicContact CD1-CD1 4.37Å
1243	A	40.3	Very low	35	Very low	72 Å²	72	98 Å²	98	60%	0.595	55%	0.547	S	S	*	.	H	α-helix	trans	-64.2	-39.4	173.1	0	0	0	0	0	111.5	Q1239	Q1239-A1243 VanDerWaalsContact O-CB 3.32Å; Q1239-A1243 WeakPolarHBondContact O-CB 3.44Å; Q1239-A1243 PolarHBondContact O-N 3.22Å
1244	K	41.7	Very low	34.6	Very low	190 Å²	190	101.3 Å²	101.3	83%	0.826	56%	0.562	S	S	*	*	H	α-helix	trans	-77.7	-20.5	177	-76.3	-175.3	175.1	-176.1	0	114.6	Q1240 V1241 L1242 G1246	Q1240-K1244 WeakPolarHBondContact O-CB 3.48Å; Q1240-K1244 WeakPolarHBondContact O-CG 3.48Å; Q1240-K1244 PolarHBondContact O-N 3.26Å; V1241-K1244 PolarHBondContact O-N 3.05Å; L1242-K1244 VanDerWaalsContact C-N 3.34Å; K1244-G1246 VanDerWaalsContact C-N 3.35Å
1245	S	45.7	Very low	34.2	Very low	31 Å²	31	101.9 Å²	101.9	22%	0.217	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-5.3	178.7	68.5	0	0	0	0	114.1	R567 V1241 L1242 I1247	R567-S1245 PolarHBondContact NE-O 3.42Å; R567-S1245 PolarHBondContact NH2-O 3.15Å; V1241-S1245 WeakPolarHBondContact O-CB 3.48Å; V1241-S1245 PolarHBondContact O-N 3.03Å; V1241-S1245 PolarHBondContact O-OG 3.03Å; L1242-S1245 WeakPolarHBondContact CA-OG 3.47Å; L1242-S1245 PolarHBondContact O-N 3.15Å; L1242-S1245 PolarHBondContact O-OG 3.36Å; L1242-S1245 VanDerWaalsContact O-OG 3.12Å; S1245-I1247 WeakPolarHBondContact OG-CD1 3.34Å; S1245-I1247 WeakPolarHBondContact OG-CG1 3.45Å
1246	G	33.4	Very low	34.3	Very low	56 Å²	56	106.2 Å²	106.2	58%	0.577	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	36	178.9	0	0	0	0	0	113.2	K1244	K1244-G1246 VanDerWaalsContact C-N 3.35Å
1247	I	41.5	Very low	34	Very low	100 Å²	100	106.7 Å²	106.7	51%	0.513	60%	0.595	S	S	.	*			trans	-103.6	-14.4	-177.3	-65	177.8	0	0	0	112.1	R567 S1245	R567-I1247 VanDerWaalsContact NH2-CG1 3.35Å; S1245-I1247 WeakPolarHBondContact OG-CD1 3.34Å; S1245-I1247 WeakPolarHBondContact OG-CG1 3.45Å
1248	L	29.6	Very low	33.6	Very low	103 Å²	103	112.3 Å²	112.3	54%	0.539	62%	0.618	S	S	.	*			trans	-111.1	94.3	176.9	-77.9	169.5	0	0	0	111.8	L1242 V1250	L1242-L1248 HydrophobicContact CB-CD1 3.96Å; L1242-L1248 HydrophobicContact CD1-CD1 4.37Å; L1248-V1250 HydrophobicContact CB-CG2 4.41Å; L1248-V1250 PolarHBondContact O-N 3.22Å
1249	N	26.5	Very low	33.2	Very low	153 Å²	153	115.3 Å²	115.3	82%	0.818	64%	0.64	S	S	*	*			trans	-77.5	88.1	157.7	-80.8	-5.9	0	0	0	108.6	T1251	N1249-T1251 VanDerWaalsContact C-N 3.34Å; N1249-T1251 PolarHBondContact O-N 3.12Å
1250	V	30.1	Very low	33	Very low	116 Å²	116	117.4 Å²	117.4	70%	0.703	65%	0.65	S	S	*	*			trans	-87.1	83	165.2	-176.3	0	0	0	0	107.9	L1248	L1248-V1250 HydrophobicContact CB-CG2 4.41Å; L1248-V1250 PolarHBondContact O-N 3.22Å
1251	T	26.2	Very low	32.3	Very low	124 Å²	124	121.6 Å²	121.6	76%	0.761	67%	0.669	S	S	*	*			trans	-85.7	99.6	162.6	49.8	0	0	0	0	108.4	N1249	N1249-T1251 VanDerWaalsContact C-N 3.34Å; N1249-T1251 PolarHBondContact O-N 3.12Å
1252	D	30	Very low	31.9	Very low	156 Å²	156	122.2 Å²	122.2	83%	0.834	69%	0.689	S	S	*	*			trans	-134.1	137.5	157.1	-101.5	-44.8	0	0	0	109.1
1253	S	25.6	Very low	31.5	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	72%	0.717	S	S	*	*			trans	-96.5	149.6	-169.2	53.9	0	0	0	0	112.3
1254	N	29.8	Very low	31.1	Very low	159 Å²	159	130.4 Å²	130.4	85%	0.85	72%	0.723	S	S	*	*				-160.4	157.3	122.8	-96.6	-35.5	0	0	0	112.3
1255	N	26	Very low	30.5	Very low	141 Å²	141	129.6 Å²	129.6	75%	0.754	72%	0.724	S	S	*	*			trans	-85.6	156.8	-175.1	-61.7	-38.8	0	0	0	112.8
1256	I	31.4	Very low	29.6	Very low	159 Å²	159	132.2 Å²	132.2	82%	0.815	74%	0.742	S	S	*	*			trans	178.7	108.6	135.6	-92.6	151.3	0	0	0	103.8
1257	N	27.4	Very low	29.4	Very low	118 Å²	118	137.6 Å²	137.6	63%	0.631	76%	0.758	S	S	*	*				59.2	133.2	89.5	-69.1	38.2	0	0	0	111.5
1258	E	29.8	Very low	28.6	Very low	147 Å²	147	137.5 Å²	137.5	69%	0.687	77%	0.766	S	S	*	*			cis	-164	159.1	17.5	-123.8	153.8	-125.7	0	0	110.4
1259	T	29.8	Very low	28.6	Very low	127 Å²	127	141 Å²	141	78%	0.779	78%	0.783	S	S	*	*			trans	61.7	156.1	163	57.9	0	0	0	0	118.2
1260	E	30.3	Very low	28.5	Very low	183 Å²	183	141.7 Å²	141.7	86%	0.855	78%	0.781	S	S	*	*			cis	-144.7	161.1	4.8	-142.5	164	-140.4	0	0	110.4
1261	E	27.1	Very low	28.6	Very low	199 Å²	199	143 Å²	143	93%	0.93	78%	0.783	S	S	*	*			trans	-97.1	159.5	-169.9	-63	-179.7	135.6	0	0	114.4
1262	G	29.7	Very low	28.6	Very low	78 Å²	78	144.7 Å²	144.7	80%	0.804	78%	0.782	S	S	*	*			trans	-168	99.6	174.1	0	0	0	0	0	112.6
1263	E	28.9	Very low	28.6	Very low	194 Å²	194	146.9 Å²	146.9	91%	0.907	78%	0.784	S	S	*	*			trans	-81	161	-169.8	-84	-163.1	123	0	0	116
1264	P	33.6	Very low	28.5	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	79%	0.788	S	S	*	*			trans	-99.5	165.6	-179.1	39.7	-35.5	0	0	0	114.7
1265	M	27.9	Very low	28.7	Very low	174 Å²	174	144.4 Å²	144.4	86%	0.857	78%	0.777	S	S	*	*			trans	-124.2	112	156.1	-68.8	-80.7	-67.6	0	0	106
1266	S	27.1	Very low	28.6	Very low	85 Å²	85	144.1 Å²	144.1	59%	0.594	78%	0.776	S	S	*	*				66.7	102.9	65.8	82.3	0	0	0	0	113.5
1267	D	28.7	Very low	28.5	Very low	170 Å²	170	143.6 Å²	143.6	91%	0.909	77%	0.769	S	S	*	*			trans	-148.2	145.3	138.5	-132.3	-21.3	0	0	0	109.2
1268	S	25.5	Very low	28.4	Very low	97 Å²	97	145.5 Å²	145.5	68%	0.678	78%	0.775	S	S	*	*			trans	-123.6	159.4	-167.4	-63.2	0	0	0	0	112.5
1269	I	29.8	Very low	28.4	Very low	176 Å²	176	146.4 Å²	146.4	90%	0.903	78%	0.779	S	S	*	*			trans	-158.2	135.7	144.4	-100.6	144.2	0	0	0	108
1270	E	24.9	Very low	28.4	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	77%	0.774	S	S	*	*			trans	-105.8	-150.1	-170.2	-50.7	176.8	103.1	0	0	112.5
1271	I	31	Very low	28.3	Very low	143 Å²	143	144.4 Å²	144.4	73%	0.733	77%	0.768	S	S	*	*			trans	96.9	77.5	156.1	-44.9	-175.5	0	0	0	116.6
1272	H	27	Very low	28.4	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.745	76%	0.758	S	S	*	*				34.3	115.9	114.6	-77.6	-72.6	0	0	0	120.1
1273	K	30.2	Very low	28.4	Very low	201 Å²	201	142.1 Å²	142.1	87%	0.874	76%	0.757	S	S	*	*				164.3	145.3	110.6	-93.6	152.5	-173.5	175.7	0	115.2
1274	S	23.1	Very low	28.3	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	75%	0.745	S	S	*	*			trans	-105.2	-178.5	148.4	60.1	0	0	0	0	108.1
1275	P	33.7	Very low	28	Very low	96 Å²	96	140.1 Å²	140.1	62%	0.623	75%	0.748	S	S	*	*			cis	-138.8	-174.9	0.3	44.3	-27.1	0	0	0	115.7
1276	N	24.6	Very low	28.1	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	75%	0.753	S	S	*	*			trans	64.5	169.1	147	-71	1.9	0	0	0	122.7
1277	H	29.2	Very low	28.2	Very low	147 Å²	147	143.9 Å²	143.9	68%	0.681	76%	0.759	S	S	*	*			trans	79.5	113.7	173.1	-62.1	-77.9	0	0	0	114.7
1278	Q	25.6	Very low	28.1	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	75%	0.749	S	S	*	*				62.2	116.3	91.3	-71.9	179.1	-52.4	0	0	110.2
1279	E	28.3	Very low	28.2	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	76%	0.76	S	S	*	*				-176.1	167.1	66.3	-116.7	167	-146.9	0	0	107.5
1280	L	30.3	Very low	28.2	Very low	130 Å²	130	141.4 Å²	141.4	68%	0.681	75%	0.745	S	S	*	*			cis	-146.8	159.1	14.4	-83.5	111.4	0	0	0	111.1
1281	N	29.3	Very low	28.3	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	75%	0.752	S	S	*	*				22	148.4	129.4	-54.3	-5.1	0	0	0	120.6
1282	S	27.7	Very low	28.1	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	75%	0.75	S	S	*	*			cis	-175.4	-174.2	2.6	40.1	0	0	0	0	109.9
1283	V	30.4	Very low	28.1	Very low	127 Å²	127	141.1 Å²	141.1	77%	0.77	75%	0.753	S	S	*	*			trans	74	102.1	177.2	-167.9	0	0	0	0	112.1
1284	S	26.1	Very low	28	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	74%	0.742	S	S	*	*			cis	75.4	120.6	24.7	90.9	0	0	0	0	116.3
1285	E	28.2	Very low	28.1	Very low	167 Å²	167	138.1 Å²	138.1	78%	0.78	75%	0.746	S	S	*	*			trans	69.6	89.9	169.9	-53	-167.2	146.5	0	0	118
1286	E	29.8	Very low	27.8	Very low	203 Å²	203	137.9 Å²	137.9	95%	0.949	75%	0.746	S	S	*	*				-117	119.2	128.2	-86.4	-164.3	142.3	0	0	108.9
1287	N	28.3	Very low	28	Very low	135 Å²	135	140.4 Å²	140.4	72%	0.722	75%	0.754	S	S	*	*			trans	-95.7	163.2	173.1	-87.8	-66.2	0	0	0	110
1288	A	28.2	Very low	27.9	Very low	86 Å²	86	139.4 Å²	139.4	71%	0.711	76%	0.758	S	S	*	*			trans	60.6	90.7	160.7	0	0	0	0	0	117.4
1289	F	27.9	Very low	28	Very low	209 Å²	209	136 Å²	136	92%	0.917	76%	0.757	S	S	*	*				-113	134.5	121.7	-134.2	-91.7	0	0	0	111.1
1290	T	29.5	Very low	28.1	Very low	95 Å²	95	135.3 Å²	135.3	58%	0.583	76%	0.764	S	S	*	*			trans	-82	129.5	-162.8	45.2	0	0	0	0	113.5	S1292	T1290-S1292 PolarHBondContact O-N 2.79Å
1291	K	25.9	Very low	27.9	Very low	211 Å²	211	134.3 Å²	134.3	92%	0.917	76%	0.759	S	S	*	*				37.6	58.2	114.6	-160.6	-167.4	177.5	-177.9	0	117.1
1292	S	26.7	Very low	27.9	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	76%	0.762	S	S	*	*			trans	-166.2	102.6	158.7	55.8	0	0	0	0	111.8	T1290	T1290-S1292 PolarHBondContact O-N 2.79Å
1293	L	27.5	Very low	27.8	Very low	155 Å²	155	139 Å²	139	81%	0.812	77%	0.77	S	S	*	*			trans	171.3	48.5	147.1	-94.2	164.3	0	0	0	110.8
1294	S	27.3	Very low	27.8	Very low	91 Å²	91	139.9 Å²	139.9	64%	0.636	77%	0.769	S	S	*	*			trans	-72.1	166.2	133.6	54	0	0	0	0	108.2
1295	D	26	Very low	27.9	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	77%	0.77	S	S	*	*			trans	78.6	44.6	166.2	-40.6	-42.2	0	0	0	117.3
1296	S	28	Very low	27.9	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	77%	0.77	S	S	*	*	S	Bend	trans	-165.1	125.1	146	59.7	0	0	0	0	109.5
1297	E	27.7	Very low	27.9	Very low	187 Å²	187	139.6 Å²	139.6	87%	0.874	77%	0.767	S	S	*	*	S	Bend	cis	-118.9	114.2	10.9	-62.5	171.2	124.6	0	0	111.8
1298	V	27.5	Very low	27.8	Very low	126 Å²	126	138.1 Å²	138.1	76%	0.764	77%	0.768	S	S	*	*			trans	-121.2	87.6	158.2	176.8	0	0	0	0	105.6
1299	A	27.5	Very low	27.9	Very low	87 Å²	87	140 Å²	140	72%	0.719	77%	0.77	S	S	*	*			trans	-158	22.9	-169.9	0	0	0	0	0	115.2
1300	V	31.4	Very low	28	Very low	153 Å²	153	136.6 Å²	136.6	93%	0.927	76%	0.757	S	S	*	*			trans	-133.9	56.3	163.8	-165.3	0	0	0	0	109.3
1301	D	26	Very low	27.9	Very low	108 Å²	108	139.5 Å²	139.5	58%	0.578	76%	0.762	S	S	*	*			trans	-79.7	146.9	173.8	-80.3	-58.9	0	0	0	112.4	Y1303	D1301-Y1303 PolarHBondContact O-N 3.37Å; D1301-Y1303 VanDerWaalsContact O-N 3.08Å
1302	S	28.5	Very low	28.1	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	76%	0.756	S	S	*	*			trans	33.4	60.1	148	70.3	0	0	0	0	119.3
1303	Y	26.6	Very low	28.2	Very low	224 Å²	224	138.2 Å²	138.2	88%	0.878	76%	0.756	S	S	*	*			trans	-140.9	123.9	156.6	-85.6	-87.7	0	0	0	107.3	D1301	D1301-Y1303 PolarHBondContact O-N 3.37Å; D1301-Y1303 VanDerWaalsContact O-N 3.08Å
1304	I	29.8	Very low	28.5	Very low	147 Å²	147	138.6 Å²	138.6	75%	0.754	76%	0.757	S	S	*	*			cis	-132.4	131	12.3	-66.2	161.8	0	0	0	110.1
1305	S	27.2	Very low	28.6	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	76%	0.76	S	S	*	*			trans	-115.5	151	153.6	54.8	0	0	0	0	108.8
1306	H	27.8	Very low	29	Very low	166 Å²	166	140.6 Å²	140.6	77%	0.769	76%	0.761	S	S	*	*			trans	62.8	85.4	-177.2	-58.2	-94	0	0	0	116.2
1307	Q	30.2	Very low	29	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	76%	0.764	S	S	*	*			trans	-142.7	95.7	131.2	-119.8	175.1	19.7	0	0	110.7
1308	S	27	Very low	29.2	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	76%	0.758	S	S	*	*			trans	-78.9	-174.2	162.8	-54.8	0	0	0	0	109.9
1309	V	30.4	Very low	29.4	Very low	126 Å²	126	140.2 Å²	140.2	76%	0.764	76%	0.756	S	S	*	*			trans	93	88.8	166.3	-170	0	0	0	0	115.8
1310	E	29.1	Very low	29.6	Very low	137 Å²	137	142.1 Å²	142.1	64%	0.64	75%	0.753	S	S	*	*			trans	83.2	125.5	131.9	-68.2	-168.3	154.2	0	0	124
1311	K	28	Very low	29.5	Very low	156 Å²	156	142.7 Å²	142.7	68%	0.678	75%	0.746	S	S	*	*			trans	70.7	144.3	134.5	-64.4	166.7	-168.1	155	0	117.5
1312	T	30.2	Very low	29.8	Very low	129 Å²	129	142.5 Å²	142.5	79%	0.791	75%	0.753	S	S	*	*			cis	-148.7	167.7	9.8	-16.2	0	0	0	0	111.3
1313	H	28.6	Very low	29.9	Very low	156 Å²	156	142 Å²	142	72%	0.722	75%	0.749	S	S	*	*			trans	-51.4	149.4	159.9	-81.2	-106.5	0	0	0	111.7	D1315	H1313-D1315 IonicContact ND1-OD2 2.73Å
1314	I	33.8	Very low	30.2	Very low	163 Å²	163	144.9 Å²	144.9	84%	0.836	77%	0.767	S	S	*	*				-151.9	119.1	122.2	-96.6	146.7	0	0	0	105.8
1315	D	29.7	Very low	30.2	Very low	128 Å²	128	144.8 Å²	144.8	68%	0.684	77%	0.767	S	S	*	*			trans	-72.6	140.2	158.4	-63.2	-87.1	0	0	0	107.3	H1313	H1313-D1315 IonicContact ND1-OD2 2.73Å
1316	D	34.2	Very low	30.3	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	77%	0.771	S	S	*	*			trans	-155.7	149.6	133.9	-111.6	-28.9	0	0	0	112.3
1317	T	28.8	Very low	30.5	Very low	116 Å²	116	146.1 Å²	146.1	71%	0.712	77%	0.771	S	S	*	*			trans	-81.9	174.6	-172.4	40.8	0	0	0	0	114
1318	D	29.9	Very low	30.5	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	76%	0.764	S	S	*	*			trans	89.9	152.2	135.7	-99.7	-7	0	0	0	120.7
1319	I	32.8	Very low	30.7	Very low	143 Å²	143	145.8 Å²	145.8	73%	0.733	77%	0.766	S	S	*	*			trans	68.8	135.2	154.6	-70.1	158.5	0	0	0	117.5
1320	I	31.6	Very low	30.7	Very low	128 Å²	128	147.1 Å²	147.1	66%	0.656	77%	0.766	S	S	*	*			cis	-172	169	-26.5	-129.7	167.9	0	0	0	106.8
1321	E	30	Very low	30.8	Very low	165 Å²	165	147.9 Å²	147.9	77%	0.771	78%	0.775	S	S	*	*			trans	53.6	111.1	158.8	-79.9	161.8	-158.1	0	0	122.6
1322	S	30.7	Very low	31.1	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	78%	0.783	S	S	*	*				110.9	132.7	107.3	73.3	0	0	0	0	121
1323	S	31.4	Very low	31.1	Very low	102 Å²	102	148.8 Å²	148.8	71%	0.713	78%	0.782	S	S	*	*			trans	51.3	94.6	153	49.5	0	0	0	0	119.5
1324	F	31.9	Very low	31.4	Very low	285 Å²	285	148.1 Å²	148.1	100%	1.25	79%	0.787	S	S	*	*				-147.5	0	106.3	-120.6	-77.3	0	0	0	111.5

Retrieved 1,324 of 1,324 residues in 1796.9 ms (Link to these results)

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