A0A077ZHA7_TRITR Loading...

PTSIIA gutA and HTH DeoR and EII-GUT and adh shor t and EIIBC-GUT N and DeoRC and EIIBC-GUT C domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZHA7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,048 aa.

						>A0A077ZHA7_TRITR|A0A077ZHA7
MIETITHGAEWFIGLFQKGGEVFTGMVTGILPLLISLLVIMNALINFIGQHRIERFAQRCAGNPVSRYLLLPCIGTFVFCNPMTLSLGRFMPEKYKPSYYAAASYSCHSMNGLFPHINPGELFVYLGIASGLTTLNLPLGPLAVSYLLVGLVTNFFRGWVTDLTTAIFEKKMGIQLEQKAIDGFKEGEPAEAEIGVAVIDCGGTLRCGIYPKRRIPTINIHSTGKSGPLAQYIVEDIYVSGVKEENITVVGDATPQPSSVGRDYDTSKKITEQSDGLLAKVGMGMGSAVAVLFQSGRDTIDTVLKTILPFMAFVSALIGIIMASGLGDWIAHGLAPLASHPLGLVMLALICSFPLLSPFLGPGAVIAQVIGVLIGVQIGLGNIPPHLALPALFAINAQAACDFIPVGLSLAEARQDTVRVGVPSVLTTITRIGASAIDALSDQMLITFREGAPADLEEYCFIHCHGELKGALHPGLQFSLGQHRYPVTAVGSVAEDNLRELGHVTLRFDGLNEAEFPGTVHVAGPVPDDIAPGSVAVVIGGGQTLGAFLCHGLAAEGYRVAVVDIQSDKAANVAQEINAEYGESMAYGFGADATSEQSVLALSRGVDEIFGRVDLLVYSAGIAKAAFISDFQLGDFDRSLQVNLVGYFLCAREFSRLMIRDGIQGRIIQINSKSGKVGSKHNSGYSAAKFGGVGLTQSLALDLAEYGITVHSLMLGNLLKSPMFQSLLPQYATKLGIKPDQVEQYYIDKVPLKRGCDYQDVLNMLLFYASPKASYCTGQSINVTGGQVITPMKPRQRQAAILEYLQKQGKCSVEELAQYFDTTGTTIRKDLVILEHAGTVIRTYGGVVLNKEESDPPIDHKTLINTHKKELIAEAAVSFIHDGDSIILDAGSTVLQMVPLLSRFNNITVMTNSLHIVNALSELDNEQTILMPGGTFRKKSASFHGQLAENAFEHFTFDKLFMGTDGIDLNAGVTTFNEVYTVSKAMCNAAREVILMADSSKFGRKSPNVVCSLESVDKLITDAGIDPAFRQALEEKGIDVIITGESNE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.5	Low	79.5	Confident	184 Å²	184	113.3 Å²	113.3	91%	0.906	59%	0.589	S	S	*	*				0	-60.9	0	-160.5	173.8	-171.4	0	0	112	E3 T4 I5	M1-E3 PolarHBondContact O-N 3.14Å; M1-T4 PolarHBondContact O-N 3.41Å; M1-I5 HydrophobicContact CG-CD1 4.14Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.13Å
2	I	75.5	Confident	79.7	Confident	139 Å²	139	113.8 Å²	113.8	71%	0.713	58%	0.584	S	S	*	*	H	α-helix	trans	-58	-48.4	177.2	-65.4	175	0	0	0	111.6	T4 I5 T6	I2-T4 VanDerWaalsContact C-N 3.31Å; I2-T4 PolarHBondContact O-N 3.25Å; I2-I5 PolarHBondContact O-N 3.06Å; I2-T6 PolarHBondContact O-N 2.87Å; I2-T6 PolarHBondContact O-OG1 3.08Å
3	E	73	Confident	80.2	Confident	167 Å²	167	112.2 Å²	112.2	78%	0.78	58%	0.575	S	S	*	*	H	α-helix	trans	-57.8	-41.4	176.4	-75.2	178.9	161.1	0	0	113	M1 T6 H7	M1-E3 PolarHBondContact O-N 3.14Å; E3-T6 PolarHBondContact O-N 3.48Å; E3-H7 VanDerWaalsContact O-CB 3.31Å; E3-H7 WeakPolarHBondContact O-CB 3.41Å; E3-H7 PolarHBondContact O-N 3.01Å
4	T	75.9	Confident	80.4	Confident	105 Å²	105	105.6 Å²	105.6	64%	0.644	55%	0.55	S	S	*	.	H	α-helix	trans	-64.1	-41.6	177.6	-39.4	0	0	0	0	111.9	M1 I2 G8	M1-T4 PolarHBondContact O-N 3.41Å; I2-T4 VanDerWaalsContact C-N 3.31Å; I2-T4 PolarHBondContact O-N 3.25Å; T4-G8 PolarHBondContact O-N 3.07Å
5	I	81.6	Confident	80.3	Confident	109 Å²	109	100.5 Å²	100.5	56%	0.559	52%	0.523	S	S	*	.	H	α-helix	trans	-68.1	-43.9	177	-67	169.5	0	0	0	110.5	M1 I2 H7 G8 A9	M1-I5 HydrophobicContact CG-CD1 4.14Å; M1-I5 WeakPolarHBondContact O-CG1 3.36Å; M1-I5 PolarHBondContact O-N 3.13Å; I2-I5 PolarHBondContact O-N 3.06Å; I5-H7 PolarHBondContact O-N 3.07Å; I5-G8 PolarHBondContact O-N 3.08Å; I5-A9 WeakPolarHBondContact O-CB 3.16Å; I5-A9 PolarHBondContact O-N 3.14Å
6	T	85.7	Confident	80.5	Confident	65 Å²	65	102.4 Å²	102.4	40%	0.399	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-45.6	176.3	-56	0	0	0	0	110.8	I2 E3 G8 A9 E10	I2-T6 PolarHBondContact O-N 2.87Å; I2-T6 PolarHBondContact O-OG1 3.08Å; E3-T6 PolarHBondContact O-N 3.48Å; T6-G8 VanDerWaalsContact C-N 3.34Å; T6-G8 PolarHBondContact O-N 2.99Å; T6-A9 PolarHBondContact O-N 3.46Å; T6-E10 HydrophobicContact CG2-CG 4.4Å; T6-E10 WeakPolarHBondContact O-CB 2.96Å; T6-E10 WeakPolarHBondContact O-CG 3.36Å; T6-E10 PolarHBondContact O-N 3.15Å
7	H	82.4	Confident	81	Confident	135 Å²	135	103.8 Å²	103.8	63%	0.625	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-40.6	177.5	-159.5	70.7	0	0	0	111.9	E3 I5 W11	E3-H7 VanDerWaalsContact O-CB 3.31Å; E3-H7 WeakPolarHBondContact O-CB 3.41Å; E3-H7 PolarHBondContact O-N 3.01Å; I5-H7 PolarHBondContact O-N 3.07Å; H7-W11 VanDerWaalsContact O-CB 3.23Å; H7-W11 WeakPolarHBondContact O-CB 3.4Å; H7-W11 PolarHBondContact O-N 3.13Å
8	G	83.2	Confident	81	Confident	36 Å²	36	102.2 Å²	102.2	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-39.7	173.5	0	0	0	0	0	113.4	T4 I5 T6 F12	T4-G8 PolarHBondContact O-N 3.07Å; I5-G8 PolarHBondContact O-N 3.08Å; T6-G8 VanDerWaalsContact C-N 3.34Å; T6-G8 PolarHBondContact O-N 2.99Å; G8-F12 WeakPolarHBondContact O-CB 3.37Å; G8-F12 PolarHBondContact O-N 3.4Å
9	A	84.6	Confident	81.1	Confident	48 Å²	48	97.3 Å²	97.3	40%	0.397	50%	0.497	S	S	.	.	H	α-helix	trans	-71.2	-42.2	177.8	0	0	0	0	0	112.7	I5 T6 F12 I13	I5-A9 WeakPolarHBondContact O-CB 3.16Å; I5-A9 PolarHBondContact O-N 3.14Å; T6-A9 PolarHBondContact O-N 3.46Å; A9-F12 PolarHBondContact O-N 3.43Å; A9-I13 WeakPolarHBondContact O-CG1 3.43Å; A9-I13 PolarHBondContact O-N 3.16Å
10	E	85.6	Confident	81.4	Confident	124 Å²	124	94.2 Å²	94.2	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-61.1	-44.8	173.9	-75.4	177.7	171.9	0	0	111.1	T6 I13 G14	T6-E10 HydrophobicContact CG2-CG 4.4Å; T6-E10 WeakPolarHBondContact O-CB 2.96Å; T6-E10 WeakPolarHBondContact O-CG 3.36Å; T6-E10 PolarHBondContact O-N 3.15Å; E10-I13 PolarHBondContact O-N 3.37Å; E10-G14 PolarHBondContact O-N 2.99Å
11	W	83.8	Confident	81.6	Confident	134 Å²	134	95 Å²	95	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-59.7	-46.3	174.7	-179.9	84.2	0	0	0	111.9	H7 I13 G14 L15 A323	H7-W11 VanDerWaalsContact O-CB 3.23Å; H7-W11 WeakPolarHBondContact O-CB 3.4Å; H7-W11 PolarHBondContact O-N 3.13Å; W11-I13 PolarHBondContact O-N 2.9Å; W11-G14 PolarHBondContact O-N 3.43Å; W11-L15 HydrophobicContact CH2-CD1 4.44Å; W11-L15 PolarHBondContact O-N 2.96Å; W11-A323 PolarHBondContact NE1-O 2.95Å
12	F	82.2	Confident	82.3	Confident	119 Å²	119	87.9 Å²	87.9	52%	0.522	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-42.4	178.7	-178	-103.6	0	0	0	112.8	G8 A9 L15 F16	G8-F12 WeakPolarHBondContact O-CB 3.37Å; G8-F12 PolarHBondContact O-N 3.4Å; A9-F12 PolarHBondContact O-N 3.43Å; F12-L15 WeakPolarHBondContact O-CB 3.45Å; F12-L15 PolarHBondContact O-N 3.22Å; F12-F16 HydrophobicContact CD1-CE2 4.18Å; F12-F16 HydrophobicContact CD2-CE2 4.44Å; F12-F16 HydrophobicContact CE1-CD2 4.43Å; F12-F16 AromaticContact CE1-CE2 3.64Å; F12-F16 HydrophobicContact CE1-CE2 3.64Å; F12-F16 HydrophobicContact CE1-CZ 4.46Å; F12-F16 AromaticContact CE2-CE2 3.93Å; F12-F16 HydrophobicContact CE2-CE2 3.93Å; F12-F16 HydrophobicContact CE2-CZ 4.49Å; F12-F16 AromaticContact CZ-CE2 3.51Å; F12-F16 HydrophobicContact CZ-CE2 3.51Å; F12-F16 HydrophobicContact CZ-CZ 4.02Å; F12-F16 WeakPolarHBondContact O-CD2 3.15Å
13	I	85	Confident	82.8	Confident	93 Å²	93	84.3 Å²	84.3	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-67.3	-39.1	176.8	-69.4	170.9	0	0	0	111.1	A9 E10 W11 L15 F16 Q17	A9-I13 WeakPolarHBondContact O-CG1 3.43Å; A9-I13 PolarHBondContact O-N 3.16Å; E10-I13 PolarHBondContact O-N 3.37Å; W11-I13 PolarHBondContact O-N 2.9Å; I13-L15 PolarHBondContact O-N 3.5Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-Q17 HydrophobicContact CG2-CG 4.31Å; I13-Q17 PolarHBondContact O-N 3.31Å; I13-Q17 VanDerWaalsContact O-N 3.16Å
14	G	83.4	Confident	83.5	Confident	21 Å²	21	80.3 Å²	80.3	22%	0.216	42%	0.424	C	S	.	.	H	α-helix	trans	-56.9	-32.1	177.9	0	0	0	0	0	113.3	E10 W11 Q17 K18	E10-G14 PolarHBondContact O-N 2.99Å; W11-G14 PolarHBondContact O-N 3.43Å; G14-Q17 PolarHBondContact O-N 3.07Å; G14-K18 WeakPolarHBondContact O-CG 3.44Å; G14-K18 PolarHBondContact O-N 3.25Å
15	L	79.3	Confident	83.7	Confident	28 Å²	28	77.3 Å²	77.3	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-62.6	-44.6	177	-170.9	143.9	0	0	0	112.9	W11 F12 I13 G19 I320 A323	W11-L15 HydrophobicContact CH2-CD1 4.44Å; W11-L15 PolarHBondContact O-N 2.96Å; F12-L15 WeakPolarHBondContact O-CB 3.45Å; F12-L15 PolarHBondContact O-N 3.22Å; I13-L15 PolarHBondContact O-N 3.5Å; L15-G19 PolarHBondContact O-N 3.24Å; L15-I320 HydrophobicContact CD1-CB 4.29Å; L15-I320 HydrophobicContact CD1-CG1 3.98Å; L15-I320 HydrophobicContact CD1-CG2 4.29Å; L15-I320 HydrophobicContact CD2-CG1 3.66Å; L15-I320 HydrophobicContact CG-CB 4.47Å; L15-I320 HydrophobicContact CG-CG1 3.96Å; L15-A323 HydrophobicContact CB-CB 3.92Å; L15-A323 HydrophobicContact CD1-CB 4.49Å; L15-A323 HydrophobicContact CG-CB 4.18Å
16	F	83.8	Confident	83.5	Confident	132 Å²	132	73.8 Å²	73.8	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-71.4	-36.3	176.2	-67.7	-83.5	0	0	0	112.4	F12 I13 G19 G20	F12-F16 HydrophobicContact CD1-CE2 4.18Å; F12-F16 HydrophobicContact CD2-CE2 4.44Å; F12-F16 HydrophobicContact CE1-CD2 4.43Å; F12-F16 AromaticContact CE1-CE2 3.64Å; F12-F16 HydrophobicContact CE1-CE2 3.64Å; F12-F16 HydrophobicContact CE1-CZ 4.46Å; F12-F16 AromaticContact CE2-CE2 3.93Å; F12-F16 HydrophobicContact CE2-CE2 3.93Å; F12-F16 HydrophobicContact CE2-CZ 4.49Å; F12-F16 AromaticContact CZ-CE2 3.51Å; F12-F16 HydrophobicContact CZ-CE2 3.51Å; F12-F16 HydrophobicContact CZ-CZ 4.02Å; F12-F16 WeakPolarHBondContact O-CD2 3.15Å; I13-F16 PolarHBondContact O-N 2.92Å; F16-G19 PolarHBondContact O-N 3.46Å; F16-G20 PolarHBondContact O-N 3.28Å
17	Q	87.8	Confident	83.5	Confident	125 Å²	125	73 Å²	73	58%	0.584	39%	0.391	S	S	*	.	H	α-helix	trans	-61.4	-44.6	177.2	-71.4	179	-11.4	0	0	111.3	I13 G14 G20 E21	I13-Q17 HydrophobicContact CG2-CG 4.31Å; I13-Q17 PolarHBondContact O-N 3.31Å; I13-Q17 VanDerWaalsContact O-N 3.16Å; G14-Q17 PolarHBondContact O-N 3.07Å; Q17-G20 PolarHBondContact O-N 3Å; Q17-E21 WeakPolarHBondContact O-CG 3.01Å; Q17-E21 PolarHBondContact O-N 3.11Å
18	K	82.3	Confident	83.7	Confident	75 Å²	75	71.5 Å²	71.5	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-43.1	177.1	-73.5	-72.4	157	-149.8	0	112.7	G14 G20 E21 V22 M322 A323	G14-K18 WeakPolarHBondContact O-CG 3.44Å; G14-K18 PolarHBondContact O-N 3.25Å; K18-G20 VanDerWaalsContact C-N 3.33Å; K18-G20 PolarHBondContact O-N 3.33Å; K18-E21 IonicContact NZ-OE1 2.82Å; K18-E21 IonicContact NZ-OE2 3.48Å; K18-E21 PolarHBondContact NZ-OE2 3.21Å; K18-E21 PolarHBondContact O-N 3.14Å; K18-V22 WeakPolarHBondContact O-CG2 3.47Å; K18-V22 PolarHBondContact O-N 2.77Å; K18-M322 HydrophobicContact CD-CE 4.32Å; K18-A323 HydrophobicContact CG-CB 4.39Å
19	G	83.2	Confident	83.5	Confident	10 Å²	10	72.3 Å²	72.3	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-40.6	174.4	0	0	0	0	0	113	L15 F16 V22 F23 S315	L15-G19 PolarHBondContact O-N 3.24Å; F16-G19 PolarHBondContact O-N 3.46Å; G19-V22 PolarHBondContact O-N 2.94Å; G19-F23 PolarHBondContact O-N 3.33Å; G19-F23 VanDerWaalsContact O-N 3.09Å; G19-S315 WeakPolarHBondContact CA-O 3.36Å; G19-S315 WeakPolarHBondContact O-CB 3.46Å
20	G	87	Confident	82.9	Confident	35 Å²	35	71.5 Å²	71.5	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-39.2	177.4	0	0	0	0	0	114.2	F16 Q17 K18 T24	F16-G20 PolarHBondContact O-N 3.28Å; Q17-G20 PolarHBondContact O-N 3Å; K18-G20 VanDerWaalsContact C-N 3.33Å; K18-G20 PolarHBondContact O-N 3.33Å; G20-T24 WeakPolarHBondContact O-CB 3.17Å; G20-T24 PolarHBondContact O-N 3.31Å; G20-T24 PolarHBondContact O-OG1 2.98Å
21	E	84.9	Confident	82.7	Confident	112 Å²	112	66.2 Å²	66.2	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-48.1	175.2	-74	173.8	177.9	0	0	111.5	Q17 K18 T24 G25	Q17-E21 WeakPolarHBondContact O-CG 3.01Å; Q17-E21 PolarHBondContact O-N 3.11Å; K18-E21 IonicContact NZ-OE1 2.82Å; K18-E21 IonicContact NZ-OE2 3.48Å; K18-E21 PolarHBondContact NZ-OE2 3.21Å; K18-E21 PolarHBondContact O-N 3.14Å; E21-T24 PolarHBondContact O-N 2.75Å; E21-G25 PolarHBondContact O-N 2.94Å
22	V	78.8	Confident	82.8	Confident	33 Å²	33	63 Å²	63	20%	0.2	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-45.7	179.9	174.5	0	0	0	0	111	K18 G19 T24 G25 M26 I318 M322	K18-V22 WeakPolarHBondContact O-CG2 3.47Å; K18-V22 PolarHBondContact O-N 2.77Å; G19-V22 PolarHBondContact O-N 2.94Å; V22-T24 PolarHBondContact O-N 2.79Å; V22-G25 PolarHBondContact O-N 3.04Å; V22-M26 HydrophobicContact CG1-CE 4.17Å; V22-M26 PolarHBondContact O-N 3.25Å; V22-M26 VanDerWaalsContact O-N 3.15Å; V22-I318 HydrophobicContact CG1-CB 4.34Å; V22-I318 HydrophobicContact CG1-CD1 4.18Å; V22-I318 HydrophobicContact CG1-CG2 4.21Å; V22-I318 HydrophobicContact CG2-CG2 3.84Å; V22-M322 HydrophobicContact CG2-SD 4.15Å
23	F	85	Confident	82.6	Confident	65 Å²	65	61.3 Å²	61.3	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-46.8	178.5	-175.6	-105.3	0	0	0	111.9	G19 G25 M26 V27 L308 M311 A312 S315	G19-F23 PolarHBondContact O-N 3.33Å; G19-F23 VanDerWaalsContact O-N 3.09Å; F23-G25 VanDerWaalsContact C-N 3.3Å; F23-G25 PolarHBondContact O-N 3.48Å; F23-M26 PolarHBondContact O-N 2.92Å; F23-V27 HydrophobicContact CD1-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 3.82Å; F23-V27 HydrophobicContact CE2-CG2 4.27Å; F23-V27 HydrophobicContact CZ-CG2 3.87Å; F23-V27 WeakPolarHBondContact O-CG2 3.45Å; F23-V27 PolarHBondContact O-N 3.12Å; F23-L308 HydrophobicContact CZ-CD2 4.16Å; F23-M311 HydrophobicContact CD2-CB 4.15Å; F23-M311 HydrophobicContact CE2-CB 3.93Å; F23-A312 HydrophobicContact CD2-CB 4.2Å; F23-A312 HydrophobicContact CE2-CB 3.86Å; F23-S315 WeakPolarHBondContact CA-OG 3.21Å; F23-S315 WeakPolarHBondContact CB-OG 3.24Å; F23-S315 PolarHBondContact N-OG 2.79Å
24	T	88.2	Confident	82.1	Confident	82 Å²	82	56.9 Å²	56.9	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-38.9	179.9	-54.9	0	0	0	0	111.6	G20 E21 V22 V27 T28	G20-T24 WeakPolarHBondContact O-CB 3.17Å; G20-T24 PolarHBondContact O-N 3.31Å; G20-T24 PolarHBondContact O-OG1 2.98Å; E21-T24 PolarHBondContact O-N 2.75Å; V22-T24 PolarHBondContact O-N 2.79Å; T24-V27 PolarHBondContact O-N 3.18Å; T24-T28 HydrophobicContact CG2-CG2 4.44Å; T24-T28 WeakPolarHBondContact O-CG2 3.48Å; T24-T28 PolarHBondContact O-N 2.83Å; T24-T28 PolarHBondContact O-OG1 3.16Å
25	G	80.8	Confident	82.1	Confident	42 Å²	42	58.2 Å²	58.2	43%	0.433	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-42.7	175.1	0	0	0	0	0	113	E21 V22 F23 T28 G29	E21-G25 PolarHBondContact O-N 2.94Å; V22-G25 PolarHBondContact O-N 3.04Å; F23-G25 VanDerWaalsContact C-N 3.3Å; F23-G25 PolarHBondContact O-N 3.48Å; G25-T28 PolarHBondContact O-OG1 3.13Å; G25-G29 PolarHBondContact O-N 2.79Å
26	M	77.1	Confident	82.3	Confident	35 Å²	35	60.2 Å²	60.2	17%	0.172	35%	0.352	C	S	.	.	H	α-helix	trans	-67.8	-41.5	177.5	-71	-168.1	-71.1	0	0	112.5	V22 F23 T28 I30 L31 M311 S315	V22-M26 HydrophobicContact CG1-CE 4.17Å; V22-M26 PolarHBondContact O-N 3.25Å; V22-M26 VanDerWaalsContact O-N 3.15Å; F23-M26 PolarHBondContact O-N 2.92Å; M26-T28 VanDerWaalsContact C-N 3.34Å; M26-T28 PolarHBondContact O-N 2.77Å; M26-I30 HydrophobicContact CB-CG2 4.49Å; M26-I30 WeakPolarHBondContact O-CG2 3.45Å; M26-I30 PolarHBondContact O-N 3.2Å; M26-L31 PolarHBondContact O-N 3.39Å; M26-M311 HydrophobicContact CB-CE 4.25Å; M26-M311 HydrophobicContact CB-CG 4.46Å; M26-M311 HydrophobicContact CB-SD 4.03Å; M26-M311 HydrophobicContact CE-CB 3.89Å; M26-M311 HydrophobicContact CE-CG 4.14Å; M26-M311 VanDerWaalsContact CE-O 3.32Å; M26-M311 WeakPolarHBondContact CE-O 3.24Å; M26-M311 HydrophobicContact SD-CG 4.13Å; M26-S315 WeakPolarHBondContact CE-OG 3.46Å
27	V	86	Confident	81.9	Confident	50 Å²	50	56.3 Å²	56.3	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-37.2	178.5	172.5	0	0	0	0	111.9	F23 T24 L31 L308	F23-V27 HydrophobicContact CD1-CG2 4.2Å; F23-V27 HydrophobicContact CE1-CG2 3.82Å; F23-V27 HydrophobicContact CE2-CG2 4.27Å; F23-V27 HydrophobicContact CZ-CG2 3.87Å; F23-V27 WeakPolarHBondContact O-CG2 3.45Å; F23-V27 PolarHBondContact O-N 3.12Å; T24-V27 PolarHBondContact O-N 3.18Å; V27-L31 HydrophobicContact CG1-CD2 4.25Å; V27-L31 HydrophobicContact CG2-CD2 4.41Å; V27-L308 HydrophobicContact CG2-CD2 4.11Å
28	T	86.3	Confident	81.4	Confident	103 Å²	103	51.5 Å²	51.5	63%	0.632	31%	0.314	S	S	*	.	H	α-helix	trans	-88.6	-22.4	-179	56.5	0	0	0	0	114.2	T24 G25 M26	T24-T28 HydrophobicContact CG2-CG2 4.44Å; T24-T28 WeakPolarHBondContact O-CG2 3.48Å; T24-T28 PolarHBondContact O-N 2.83Å; T24-T28 PolarHBondContact O-OG1 3.16Å; G25-T28 PolarHBondContact O-OG1 3.13Å; M26-T28 VanDerWaalsContact C-N 3.34Å; M26-T28 PolarHBondContact O-N 2.77Å
29	G	78.2	Confident	81.4	Confident	52 Å²	52	49.6 Å²	49.6	54%	0.536	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-76.6	-177.7	0	0	0	0	0	114	G25	G25-G29 PolarHBondContact O-N 2.79Å
30	I	73	Confident	81.4	Confident	31 Å²	31	53.6 Å²	53.6	16%	0.159	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-33.8	-168.5	-162	176.8	0	0	0	112.5	M26 L33 L34 P119 L122 M311	M26-I30 HydrophobicContact CB-CG2 4.49Å; M26-I30 WeakPolarHBondContact O-CG2 3.45Å; M26-I30 PolarHBondContact O-N 3.2Å; I30-L33 WeakPolarHBondContact O-CB 3.29Å; I30-L33 PolarHBondContact O-N 2.84Å; I30-L33 VanDerWaalsContact O-N 3.17Å; I30-L34 HydrophobicContact CD1-CD1 4.39Å; I30-L34 HydrophobicContact CG1-CD1 4.03Å; I30-L34 HydrophobicContact CG1-CD2 4.49Å; I30-L34 HydrophobicContact CG1-CG 4.11Å; I30-L34 HydrophobicContact CG2-CD1 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 2.87Å; I30-L34 VanDerWaalsContact O-N 3.15Å; I30-P119 HydrophobicContact CD1-CB 3.91Å; I30-L122 HydrophobicContact CD1-CB 3.96Å; I30-L122 HydrophobicContact CD1-CD2 3.45Å; I30-L122 VanDerWaalsContact CD1-CD2 3.45Å; I30-L122 HydrophobicContact CD1-CG 4.35Å; I30-L122 HydrophobicContact CG1-CD2 4.28Å; I30-M311 HydrophobicContact CG2-CE 3.76Å
31	L	81.5	Confident	80.9	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-42.8	-172.1	-174	63.5	0	0	0	114.4	M26 V27 L33 L34 I35 V303 I307 L308 M311	M26-L31 PolarHBondContact O-N 3.39Å; V27-L31 HydrophobicContact CG1-CD2 4.25Å; V27-L31 HydrophobicContact CG2-CD2 4.41Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.26Å; L31-L34 PolarHBondContact O-N 2.88Å; L31-I35 HydrophobicContact CG-CD1 4.11Å; L31-I35 WeakPolarHBondContact O-CG1 3.14Å; L31-I35 PolarHBondContact O-N 3.13Å; L31-V303 HydrophobicContact CD1-CG1 3.91Å; L31-V303 HydrophobicContact CD1-CG2 4.44Å; L31-I307 HydrophobicContact CD1-CG2 4Å; L31-L308 HydrophobicContact CD2-CD2 3.86Å; L31-M311 HydrophobicContact CB-CE 4.28Å; L31-M311 HydrophobicContact CD1-CE 4.13Å; L31-M311 HydrophobicContact CD1-SD 4.42Å
32	P	84.7	Confident	80.4	Confident	66 Å²	66	49 Å²	49	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-36.9	178.1	-23.7	35.4	0	0	0	113.7	L34 S36	P32-L34 VanDerWaalsContact C-N 3.34Å; P32-S36 PolarHBondContact O-N 2.98Å; P32-S36 VanDerWaalsContact O-N 3.15Å; P32-S36 PolarHBondContact O-OG 2.82Å
33	L	78.7	Confident	80.4	Confident	85 Å²	85	47.6 Å²	47.6	45%	0.445	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-42.5	175.5	177.8	64.3	0	0	0	110.5	I30 L31 S36 L37	I30-L33 WeakPolarHBondContact O-CB 3.29Å; I30-L33 PolarHBondContact O-N 2.84Å; I30-L33 VanDerWaalsContact O-N 3.17Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.26Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.36Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 WeakPolarHBondContact O-CG 3.06Å; L33-L37 PolarHBondContact O-N 3.27Å
34	L	75.3	Confident	79.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-43.1	179.3	-61.5	169.9	0	0	0	112.7	I30 L31 P32 S36 L37 L38 H116 P119 M311	I30-L34 HydrophobicContact CD1-CD1 4.39Å; I30-L34 HydrophobicContact CG1-CD1 4.03Å; I30-L34 HydrophobicContact CG1-CD2 4.49Å; I30-L34 HydrophobicContact CG1-CG 4.11Å; I30-L34 HydrophobicContact CG2-CD1 4.25Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 2.87Å; I30-L34 VanDerWaalsContact O-N 3.15Å; L31-L34 PolarHBondContact O-N 2.88Å; P32-L34 VanDerWaalsContact C-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.26Å; L34-S36 PolarHBondContact O-N 3.01Å; L34-L37 PolarHBondContact O-N 2.85Å; L34-L38 VanDerWaalsContact O-CB 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.29Å; L34-L38 PolarHBondContact O-N 3.08Å; L34-H116 HydrophobicContact CD2-CB 4.35Å; L34-P119 HydrophobicContact CD1-CB 3.17Å; L34-P119 HydrophobicContact CD1-CG 3.7Å; L34-P119 HydrophobicContact CD2-CB 3.48Å; L34-P119 VanDerWaalsContact CD2-CB 3.48Å; L34-P119 HydrophobicContact CD2-CG 3.84Å; L34-P119 HydrophobicContact CG-CB 3.88Å; L34-P119 HydrophobicContact CG-CG 4.36Å; L34-M311 HydrophobicContact CD1-CE 4.33Å
35	I	83.1	Confident	79.1	Confident	49 Å²	49	45.5 Å²	45.5	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-56.1	-47.5	174.3	-68.8	166.5	0	0	0	109.4	L31 L37 V39 T299 I300 V303	L31-I35 HydrophobicContact CG-CD1 4.11Å; L31-I35 WeakPolarHBondContact O-CG1 3.14Å; L31-I35 PolarHBondContact O-N 3.13Å; I35-L37 PolarHBondContact O-N 2.97Å; I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.45Å; I35-V39 PolarHBondContact O-N 3.5Å; I35-T299 HydrophobicContact CG2-CG2 4.34Å; I35-I300 HydrophobicContact CG2-CD1 4.47Å; I35-V303 HydrophobicContact CG1-CG2 3.88Å
36	S	82.4	Confident	78.6	Confident	70 Å²	70	47.2 Å²	47.2	49%	0.49	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-42.8	-179.8	-56.5	0	0	0	0	112.5	P32 L33 L34 I40	P32-S36 PolarHBondContact O-N 2.98Å; P32-S36 VanDerWaalsContact O-N 3.15Å; P32-S36 PolarHBondContact O-OG 2.82Å; L33-S36 PolarHBondContact O-N 3.45Å; L34-S36 VanDerWaalsContact C-N 3.26Å; L34-S36 PolarHBondContact O-N 3.01Å; S36-I40 WeakPolarHBondContact O-CD1 3.41Å; S36-I40 WeakPolarHBondContact O-CG1 3.36Å; S36-I40 PolarHBondContact O-N 3.03Å
37	L	76.8	Confident	78.4	Confident	50 Å²	50	51.4 Å²	51.4	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-72.1	-43	-179.5	-70.1	168.6	0	0	0	112.5	L33 L34 I35 V39 I40 M41 H116	L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4.36Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 WeakPolarHBondContact O-CG 3.06Å; L33-L37 PolarHBondContact O-N 3.27Å; L34-L37 PolarHBondContact O-N 2.85Å; I35-L37 PolarHBondContact O-N 2.97Å; L37-V39 PolarHBondContact O-N 3.35Å; L37-I40 PolarHBondContact O-N 2.85Å; L37-M41 WeakPolarHBondContact O-CG 3.29Å; L37-M41 PolarHBondContact O-N 3.22Å; L37-H116 HydrophobicContact CB-CB 3.68Å; L37-H116 HydrophobicContact CD1-CB 3.63Å; L37-H116 HydrophobicContact CG-CB 4.22Å
38	L	76.5	Confident	77.7	Confident	23 Å²	23	52.7 Å²	52.7	12%	0.12	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-36.9	178.3	-73.7	170.6	0	0	0	112.3	L34 I40 M41 N42 T299 I307	L34-L38 VanDerWaalsContact O-CB 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.29Å; L34-L38 PolarHBondContact O-N 3.08Å; L38-I40 VanDerWaalsContact C-N 3.32Å; L38-I40 PolarHBondContact O-N 2.99Å; L38-M41 PolarHBondContact O-N 2.94Å; L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 2.89Å; L38-N42 PolarHBondContact O-ND2 3Å; L38-T299 HydrophobicContact CB-CG2 3.44Å; L38-T299 VanDerWaalsContact CB-CG2 3.44Å; L38-T299 HydrophobicContact CD1-CG2 4.15Å; L38-T299 HydrophobicContact CG-CG2 4.46Å; L38-T299 PolarHBondContact O-OG1 2.98Å; L38-I307 HydrophobicContact CD1-CD1 3.74Å
39	V	82.5	Confident	76.7	Confident	36 Å²	36	49 Å²	49	22%	0.218	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-45.9	173.8	170.6	0	0	0	0	110.7	I35 L37 M41 A43 T299	I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.45Å; I35-V39 PolarHBondContact O-N 3.5Å; L37-V39 PolarHBondContact O-N 3.35Å; V39-M41 VanDerWaalsContact C-N 3.33Å; V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 2.79Å; V39-A43 VanDerWaalsContact O-N 3.09Å; V39-T299 WeakPolarHBondContact CA-OG1 3.1Å; V39-T299 HydrophobicContact CG2-CG2 3.98Å; V39-T299 PolarHBondContact N-OG1 3.23Å
40	I	82.9	Confident	76.1	Confident	94 Å²	94	52.6 Å²	52.6	48%	0.482	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-41.6	178.3	-66.3	167.6	0	0	0	110.1	S36 L37 L38 A43 L44	S36-I40 WeakPolarHBondContact O-CD1 3.41Å; S36-I40 WeakPolarHBondContact O-CG1 3.36Å; S36-I40 PolarHBondContact O-N 3.03Å; L37-I40 PolarHBondContact O-N 2.85Å; L38-I40 VanDerWaalsContact C-N 3.32Å; L38-I40 PolarHBondContact O-N 2.99Å; I40-A43 WeakPolarHBondContact O-CB 3.48Å; I40-A43 PolarHBondContact O-N 2.88Å; I40-L44 HydrophobicContact CG2-CD1 4.07Å; I40-L44 WeakPolarHBondContact O-CG 3.38Å; I40-L44 PolarHBondContact O-N 3.37Å
41	M	77.1	Confident	75.6	Confident	15 Å²	15	56.3 Å²	56.3	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-44.8	-178.1	-72.4	-47.1	-40.7	0	0	113.4	L37 L38 V39 A43 L44 I45 V78	L37-M41 WeakPolarHBondContact O-CG 3.29Å; L37-M41 PolarHBondContact O-N 3.22Å; L38-M41 PolarHBondContact O-N 2.94Å; V39-M41 VanDerWaalsContact C-N 3.33Å; M41-A43 PolarHBondContact O-N 3.15Å; M41-L44 HydrophobicContact CE-CB 4.11Å; M41-L44 HydrophobicContact CE-CD1 3.79Å; M41-L44 WeakPolarHBondContact O-CB 3.15Å; M41-L44 PolarHBondContact O-N 3.27Å; M41-L44 VanDerWaalsContact O-N 3.09Å; M41-L44 HydrophobicContact SD-CD1 3.73Å; M41-I45 WeakPolarHBondContact O-CG1 3.2Å; M41-I45 PolarHBondContact O-N 3.47Å; M41-V78 HydrophobicContact CE-CB 4.42Å; M41-V78 HydrophobicContact CE-CG1 4.26Å; M41-V78 HydrophobicContact CE-CG2 4.37Å
42	N	73.5	Confident	75	Confident	34 Å²	34	64.1 Å²	64.1	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-59.9	-37.2	173.9	-76.6	-25.4	0	0	0	110.8	L38 I45 N46 S295 T299	L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 2.89Å; L38-N42 PolarHBondContact O-ND2 3Å; N42-I45 PolarHBondContact O-N 3.4Å; N42-N46 WeakPolarHBondContact O-CB 3.47Å; N42-N46 VanDerWaalsContact O-CG 3.27Å; N42-N46 PolarHBondContact O-N 2.78Å; N42-N46 PolarHBondContact O-ND2 2.71Å; N42-S295 VanDerWaalsContact C-OG 3.28Å; N42-T299 PolarHBondContact ND2-OG1 2.78Å
43	A	78.1	Confident	74.2	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-44.1	173.9	0	0	0	0	0	111.6	V39 I40 M41 N46 F47 V291 L292 S295	V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 2.79Å; V39-A43 VanDerWaalsContact O-N 3.09Å; I40-A43 WeakPolarHBondContact O-CB 3.48Å; I40-A43 PolarHBondContact O-N 2.88Å; M41-A43 PolarHBondContact O-N 3.15Å; A43-N46 PolarHBondContact O-N 2.87Å; A43-F47 HydrophobicContact CB-CD2 4.45Å; A43-F47 HydrophobicContact CB-CE2 4.3Å; A43-F47 WeakPolarHBondContact O-CB 3.46Å; A43-F47 WeakPolarHBondContact O-CD2 3.48Å; A43-F47 WeakPolarHBondContact O-CG 3.44Å; A43-F47 PolarHBondContact O-N 3.02Å; A43-V291 HydrophobicContact CB-CG1 4.32Å; A43-L292 HydrophobicContact CB-CD2 3.82Å; A43-S295 WeakPolarHBondContact CA-OG 3.49Å; A43-S295 PolarHBondContact N-OG 3.23Å; A43-S295 VanDerWaalsContact N-OG 3.08Å
44	L	76.5	Confident	73.7	Confident	76 Å²	76	60.6 Å²	60.6	40%	0.398	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.5	-76.8	168	0	0	0	112.5	I40 M41 N46 F47 I48	I40-L44 HydrophobicContact CG2-CD1 4.07Å; I40-L44 WeakPolarHBondContact O-CG 3.38Å; I40-L44 PolarHBondContact O-N 3.37Å; M41-L44 HydrophobicContact CE-CB 4.11Å; M41-L44 HydrophobicContact CE-CD1 3.79Å; M41-L44 WeakPolarHBondContact O-CB 3.15Å; M41-L44 PolarHBondContact O-N 3.27Å; M41-L44 VanDerWaalsContact O-N 3.09Å; M41-L44 HydrophobicContact SD-CD1 3.73Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.18Å; L44-F47 PolarHBondContact O-N 3.03Å; L44-I48 WeakPolarHBondContact O-CB 3.43Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.25Å; L44-I48 PolarHBondContact O-N 3.03Å
45	I	71.2	Confident	73.5	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.138	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.9	-68.4	167.4	0	0	0	110.2	M41 N42 F47 I48 G49 I53 V78 F79	M41-I45 WeakPolarHBondContact O-CG1 3.2Å; M41-I45 PolarHBondContact O-N 3.47Å; N42-I45 PolarHBondContact O-N 3.4Å; I45-F47 VanDerWaalsContact C-N 3.35Å; I45-F47 PolarHBondContact O-N 3.15Å; I45-I48 PolarHBondContact O-N 3.22Å; I45-G49 PolarHBondContact O-N 3.37Å; I45-I53 HydrophobicContact CG1-CD1 4.5Å; I45-I53 HydrophobicContact CG2-CD1 3.97Å; I45-V78 HydrophobicContact CD1-CG1 3.81Å; I45-V78 HydrophobicContact CG1-CG1 3.61Å; I45-F79 HydrophobicContact CD1-CD1 4.15Å; I45-F79 HydrophobicContact CD1-CE1 4.07Å
46	N	70.5	Confident	73.1	Confident	79 Å²	79	67.9 Å²	67.9	42%	0.422	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-37.7	176.6	-76.2	-34.7	0	0	0	112.4	N42 A43 L44 V291 S295	N42-N46 WeakPolarHBondContact O-CB 3.47Å; N42-N46 VanDerWaalsContact O-CG 3.27Å; N42-N46 PolarHBondContact O-N 2.78Å; N42-N46 PolarHBondContact O-ND2 2.71Å; A43-N46 PolarHBondContact O-N 2.87Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.18Å; N46-V291 HydrophobicContact CB-CG1 3.76Å; N46-S295 PolarHBondContact ND2-OG 3.49Å
47	F	72.5	Confident	72.6	Confident	122 Å²	122	64.6 Å²	64.6	54%	0.535	31%	0.308	S	S	.	.	H	α-helix	trans	-70.2	-37.3	175.2	-78.5	-57.5	0	0	0	113.5	A43 L44 I45 A288 V291	A43-F47 HydrophobicContact CB-CD2 4.45Å; A43-F47 HydrophobicContact CB-CE2 4.3Å; A43-F47 WeakPolarHBondContact O-CB 3.46Å; A43-F47 WeakPolarHBondContact O-CD2 3.48Å; A43-F47 WeakPolarHBondContact O-CG 3.44Å; A43-F47 PolarHBondContact O-N 3.02Å; L44-F47 PolarHBondContact O-N 3.03Å; I45-F47 VanDerWaalsContact C-N 3.35Å; I45-F47 PolarHBondContact O-N 3.15Å; F47-A288 HydrophobicContact CZ-CB 4.48Å; F47-V291 HydrophobicContact CD2-CG1 4.46Å; F47-V291 HydrophobicContact CE2-CG1 4.13Å; F47-V291 HydrophobicContact CZ-CB 4.47Å; F47-V291 HydrophobicContact CZ-CG1 4.16Å
48	I	70.9	Confident	72.4	Confident	78 Å²	78	67.6 Å²	67.6	40%	0.4	32%	0.321	S	S	.	.	H	α-helix	trans	-72.1	-35.4	178.3	-67.8	165.9	0	0	0	110.7	L44 I45 R52 I53	L44-I48 WeakPolarHBondContact O-CB 3.43Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.25Å; L44-I48 PolarHBondContact O-N 3.03Å; I45-I48 PolarHBondContact O-N 3.22Å; I48-R52 HydrophobicContact CG2-CB 4.29Å; I48-R52 WeakPolarHBondContact O-CD 3.16Å; I48-I53 HydrophobicContact CG2-CD1 4.3Å; I48-I53 HydrophobicContact CG2-CG1 3.84Å
49	G	65.5	Low	72.3	Confident	26 Å²	26	76 Å²	76	27%	0.268	35%	0.351	S	S	.	.			trans	83.5	126.7	-177.1	0	0	0	0	0	112.2	I45 H51 R52	I45-G49 PolarHBondContact O-N 3.37Å; G49-H51 VanDerWaalsContact C-N 3.33Å; G49-H51 PolarHBondContact O-N 3.43Å; G49-R52 PolarHBondContact O-N 3.2Å
50	Q	64.6	Low	72	Confident	126 Å²	126	74.5 Å²	74.5	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-53.1	-44.1	-173.3	-172	178.1	-20.8	0	0	113.4	R52 I53 E54	Q50-R52 PolarHBondContact O-N 3Å; Q50-R52 VanDerWaalsContact O-N 3.15Å; Q50-I53 WeakPolarHBondContact O-CB 3.18Å; Q50-I53 PolarHBondContact O-N 3.17Å; Q50-E54 HydrophobicContact CG-CG 4.37Å; Q50-E54 PolarHBondContact NE2-OE1 2.96Å; Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 2.93Å
51	H	62.4	Low	71.5	Confident	109 Å²	109	70.6 Å²	70.6	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-56.7	-34.8	179.7	-174.3	-11.7	0	0	0	113	G49 R55	G49-H51 VanDerWaalsContact C-N 3.33Å; G49-H51 PolarHBondContact O-N 3.43Å; H51-R55 VanDerWaalsContact CE1-CZ 3.49Å; H51-R55 PolarHBondContact CE1-NE 2.75Å; H51-R55 PolarHBondContact CE1-NH2 2.81Å; H51-R55 PolarHBondContact ND1-NE 2.79Å; H51-R55 VanDerWaalsContact ND1-NE 3.15Å; H51-R55 PolarHBondContact NE2-NH2 3.16Å; H51-R55 PolarHBondContact O-N 3.31Å
52	R	69.5	Low	71.2	Confident	178 Å²	178	73.2 Å²	73.2	67%	0.672	36%	0.355	S	S	*	.	H	α-helix	trans	-69.7	-37.6	178.4	-68.4	-168.9	-176.4	167.9	-1.1	111.4	I48 G49 Q50 F56	I48-R52 HydrophobicContact CG2-CB 4.29Å; I48-R52 WeakPolarHBondContact O-CD 3.16Å; G49-R52 PolarHBondContact O-N 3.2Å; Q50-R52 PolarHBondContact O-N 3Å; Q50-R52 VanDerWaalsContact O-N 3.15Å; R52-F56 WeakPolarHBondContact O-CB 3.39Å; R52-F56 PolarHBondContact O-N 3.17Å
53	I	68.3	Low	71.4	Confident	24 Å²	24	75.5 Å²	75.5	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-67.4	-41.7	177.9	-54.8	170.4	0	0	0	110.2	I45 I48 Q50 F56 A57 F79	I45-I53 HydrophobicContact CG1-CD1 4.5Å; I45-I53 HydrophobicContact CG2-CD1 3.97Å; I48-I53 HydrophobicContact CG2-CD1 4.3Å; I48-I53 HydrophobicContact CG2-CG1 3.84Å; Q50-I53 WeakPolarHBondContact O-CB 3.18Å; Q50-I53 PolarHBondContact O-N 3.17Å; I53-F56 WeakPolarHBondContact O-CB 3.26Å; I53-F56 PolarHBondContact O-N 2.99Å; I53-A57 PolarHBondContact O-N 2.9Å; I53-F79 HydrophobicContact CB-CZ 4.5Å; I53-F79 HydrophobicContact CD1-CZ 4.08Å; I53-F79 HydrophobicContact CG2-CE2 3.66Å; I53-F79 HydrophobicContact CG2-CZ 3.57Å
54	E	67.5	Low	71.6	Confident	53 Å²	53	77.5 Å²	77.5	25%	0.248	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-44.4	176.7	-63.2	175.9	166	0	0	112.1	Q50 F56 A57 Q58 R89 F90	Q50-E54 HydrophobicContact CG-CG 4.37Å; Q50-E54 PolarHBondContact NE2-OE1 2.96Å; Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 2.93Å; E54-F56 VanDerWaalsContact C-N 3.27Å; E54-F56 PolarHBondContact O-N 3.33Å; E54-A57 PolarHBondContact O-N 2.88Å; E54-Q58 WeakPolarHBondContact O-CG 3.26Å; E54-Q58 PolarHBondContact O-N 3.29Å; E54-R89 IonicContact OE1-NH2 3.45Å; E54-F90 HydrophobicContact CB-CE1 4.22Å; E54-F90 HydrophobicContact CB-CZ 3.98Å; E54-F90 HydrophobicContact CG-CE1 4.23Å; E54-F90 HydrophobicContact CG-CE2 4.22Å; E54-F90 HydrophobicContact CG-CZ 3.58Å
55	R	71.6	Confident	72.1	Confident	126 Å²	126	77.1 Å²	77.1	48%	0.475	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-37.3	173.2	-89.6	-168.9	-111.5	-171.1	-16.1	112.3	H51 R59	H51-R55 VanDerWaalsContact CE1-CZ 3.49Å; H51-R55 PolarHBondContact CE1-NE 2.75Å; H51-R55 PolarHBondContact CE1-NH2 2.81Å; H51-R55 PolarHBondContact ND1-NE 2.79Å; H51-R55 VanDerWaalsContact ND1-NE 3.15Å; H51-R55 PolarHBondContact NE2-NH2 3.16Å; H51-R55 PolarHBondContact O-N 3.31Å; R55-R59 WeakPolarHBondContact O-CG 3.4Å; R55-R59 PolarHBondContact O-N 3.28Å
56	F	74.9	Confident	72.9	Confident	76 Å²	76	76.6 Å²	76.6	33%	0.333	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-48.3	176.2	175.7	-103.4	0	0	0	111	R52 I53 E54 Q58 R59 C60 L71 I74	R52-F56 WeakPolarHBondContact O-CB 3.39Å; R52-F56 PolarHBondContact O-N 3.17Å; I53-F56 WeakPolarHBondContact O-CB 3.26Å; I53-F56 PolarHBondContact O-N 2.99Å; E54-F56 VanDerWaalsContact C-N 3.27Å; E54-F56 PolarHBondContact O-N 3.33Å; F56-Q58 PolarHBondContact O-N 3.5Å; F56-R59 PolarHBondContact O-N 3.37Å; F56-R59 VanDerWaalsContact O-N 3.16Å; F56-C60 WeakPolarHBondContact CZ-SG 3.43Å; F56-C60 PolarHBondContact O-N 3Å; F56-C60 PolarHBondContact O-SG 3.17Å; F56-C60 VanDerWaalsContact O-SG 3.35Å; F56-L71 HydrophobicContact CD1-CD1 4.28Å; F56-L71 HydrophobicContact CE1-CD1 4.13Å; F56-I74 HydrophobicContact CE1-CB 4.42Å; F56-I74 HydrophobicContact CE1-CD1 3.96Å; F56-I74 HydrophobicContact CE1-CG2 4.26Å; F56-I74 HydrophobicContact CZ-CD1 3.6Å
57	A	72	Confident	73.8	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-45.8	177.6	0	0	0	0	0	112.5	I53 E54 R59 C60 A61 L71 L87 F90	I53-A57 PolarHBondContact O-N 2.9Å; E54-A57 PolarHBondContact O-N 2.88Å; A57-R59 PolarHBondContact O-N 2.96Å; A57-C60 PolarHBondContact O-N 2.72Å; A57-A61 PolarHBondContact O-N 3.2Å; A57-L71 HydrophobicContact CB-CD1 3.99Å; A57-L87 HydrophobicContact CB-CD2 4.38Å; A57-F90 HydrophobicContact CB-CB 4.28Å; A57-F90 HydrophobicContact CB-CD2 3.76Å; A57-F90 HydrophobicContact CB-CE2 4.45Å; A57-F90 HydrophobicContact CB-CG 4.2Å
58	Q	71.3	Confident	74.6	Confident	113 Å²	113	67.7 Å²	67.7	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-40	176.3	-72.2	174.2	-9.2	0	0	112.8	E54 F56 C60 A61 F90	E54-Q58 WeakPolarHBondContact O-CG 3.26Å; E54-Q58 PolarHBondContact O-N 3.29Å; F56-Q58 PolarHBondContact O-N 3.5Å; Q58-C60 VanDerWaalsContact C-N 3.32Å; Q58-C60 PolarHBondContact O-N 2.99Å; Q58-A61 WeakPolarHBondContact O-CB 3.25Å; Q58-A61 PolarHBondContact O-N 3.41Å; Q58-F90 HydrophobicContact CG-CB 4.17Å; Q58-F90 HydrophobicContact CG-CD1 4.03Å; Q58-F90 HydrophobicContact CG-CG 4.35Å
59	R	74.8	Confident	75.6	Confident	200 Å²	200	66.4 Å²	66.4	76%	0.755	33%	0.33	S	S	*	.	H	α-helix	trans	-66.5	-36.2	175.7	-77	178.2	179	176.4	-1.3	112.2	R55 F56 A57 A61	R55-R59 WeakPolarHBondContact O-CG 3.4Å; R55-R59 PolarHBondContact O-N 3.28Å; F56-R59 PolarHBondContact O-N 3.37Å; F56-R59 VanDerWaalsContact O-N 3.16Å; A57-R59 PolarHBondContact O-N 2.96Å; R59-A61 PolarHBondContact O-N 3.03Å
60	C	77.4	Confident	76.7	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.034	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-20	178.1	-69.3	0	0	0	0	113.1	F56 A57 Q58 G62 S66 R67 L71	F56-C60 WeakPolarHBondContact CZ-SG 3.43Å; F56-C60 PolarHBondContact O-N 3Å; F56-C60 PolarHBondContact O-SG 3.17Å; F56-C60 VanDerWaalsContact O-SG 3.35Å; A57-C60 PolarHBondContact O-N 2.72Å; Q58-C60 VanDerWaalsContact C-N 3.32Å; Q58-C60 PolarHBondContact O-N 2.99Å; C60-G62 VanDerWaalsContact C-N 3.27Å; C60-G62 PolarHBondContact O-N 2.75Å; C60-S66 WeakPolarHBondContact CA-OG 3.37Å; C60-S66 CarbonylContact O-C 3.55Å; C60-S66 PolarHBondContact O-OG 3.35Å; C60-R67 PolarHBondContact O-N 2.99Å; C60-L71 HydrophobicContact CB-CB 3.81Å; C60-L71 HydrophobicContact CB-CD1 4.34Å; C60-L71 HydrophobicContact CB-CD2 4.07Å; C60-L71 HydrophobicContact CB-CG 4.31Å
61	A	71.6	Confident	78	Confident	12 Å²	12	63.3 Å²	63.3	10%	0.099	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.4	179.5	0	0	0	0	0	113.6	A57 Q58 R59 R67 M91	A57-A61 PolarHBondContact O-N 3.2Å; Q58-A61 WeakPolarHBondContact O-CB 3.25Å; Q58-A61 PolarHBondContact O-N 3.41Å; R59-A61 PolarHBondContact O-N 3.03Å; A61-R67 VanDerWaalsContact O-CZ 3.26Å; A61-R67 PolarHBondContact O-NE 3.27Å; A61-R67 PolarHBondContact O-NH2 3.37Å; A61-M91 VanDerWaalsContact CA-SD 3.57Å; A61-M91 HydrophobicContact CB-CE 3.95Å; A61-M91 HydrophobicContact CB-SD 3.39Å; A61-M91 WeakPolarHBondContact CB-SD 3.41Å
62	G	70	Confident	79.3	Confident	69 Å²	69	58.1 Å²	58.1	71%	0.711	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-22.6	-173.5	0	0	0	0	0	115.7	C60	C60-G62 VanDerWaalsContact C-N 3.27Å; C60-G62 PolarHBondContact O-N 2.75Å
63	N	78.5	Confident	80.3	Confident	82 Å²	82	50.6 Å²	50.6	44%	0.439	26%	0.261	S	S	.	.	S	Bend	trans	-125.4	133.1	-174.2	176.2	-38.3	0	0	0	111	V65 S66 R67	N63-V65 VanDerWaalsContact C-N 3.29Å; N63-V65 PolarHBondContact O-N 3.46Å; N63-V65 WeakPolarHBondContact OD1-CB 3.41Å; N63-V65 PolarHBondContact OD1-N 3.23Å; N63-S66 WeakPolarHBondContact CB-OG 3.35Å; N63-S66 PolarHBondContact O-N 3.17Å; N63-S66 VanDerWaalsContact O-N 3.13Å; N63-S66 PolarHBondContact O-OG 2.99Å; N63-R67 VanDerWaalsContact O-CB 3.27Å; N63-R67 WeakPolarHBondContact O-CB 3.13Å; N63-R67 PolarHBondContact O-N 2.9Å
64	P	83.1	Confident	81.3	Confident	47 Å²	47	53.2 Å²	53.2	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-35.2	-177.8	22.4	-33.5	0	0	0	113.8	R67 Y68	P64-R67 PolarHBondContact O-N 3.34Å; P64-Y68 HydrophobicContact CB-CD2 4.21Å; P64-Y68 HydrophobicContact CB-CE2 4.17Å; P64-Y68 WeakPolarHBondContact O-CD2 3.38Å; P64-Y68 PolarHBondContact O-N 3.35Å
65	V	86.4	Confident	82.2	Confident	67 Å²	67	50.8 Å²	50.8	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-65.9	-46.2	176	-179.4	0	0	0	0	110.5	N63 R67 L69 L70 F155	N63-V65 VanDerWaalsContact C-N 3.29Å; N63-V65 PolarHBondContact O-N 3.46Å; N63-V65 WeakPolarHBondContact OD1-CB 3.41Å; N63-V65 PolarHBondContact OD1-N 3.23Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.91Å; V65-L69 HydrophobicContact CG1-CD2 4.38Å; V65-L69 WeakPolarHBondContact O-CA 3.31Å; V65-L69 VanDerWaalsContact O-CB 3.23Å; V65-L69 WeakPolarHBondContact O-CB 3.32Å; V65-L69 PolarHBondContact O-N 2.87Å; V65-L70 PolarHBondContact O-N 3.02Å; V65-F155 HydrophobicContact CB-CE2 4.38Å; V65-F155 HydrophobicContact CG2-CE2 4.02Å; V65-F155 HydrophobicContact CG2-CZ 4.17Å
66	S	87.1	Confident	83	Confident	16 Å²	16	44.8 Å²	44.8	11%	0.112	24%	0.241	C	C	.	.	I	π-helix	trans	-68.8	-31	176.7	55.5	0	0	0	0	112.4	C60 N63 L71	C60-S66 WeakPolarHBondContact CA-OG 3.37Å; C60-S66 CarbonylContact O-C 3.55Å; C60-S66 PolarHBondContact O-OG 3.35Å; N63-S66 WeakPolarHBondContact CB-OG 3.35Å; N63-S66 PolarHBondContact O-N 3.17Å; N63-S66 VanDerWaalsContact O-N 3.13Å; N63-S66 PolarHBondContact O-OG 2.99Å; S66-L71 VanDerWaalsContact O-CB 3.23Å; S66-L71 WeakPolarHBondContact O-CB 3.17Å; S66-L71 PolarHBondContact O-N 3.48Å
67	R	89.3	Confident	83.6	Confident	13 Å²	13	44.6 Å²	44.6	5%	0.049	24%	0.24	C	C	.	.	I	π-helix	trans	-76.8	-39.6	-177.2	-165.4	-171.7	-58.6	155.1	-5.4	114	C60 A61 N63 P64 V65 P72 M91 Y95	C60-R67 PolarHBondContact O-N 2.99Å; A61-R67 VanDerWaalsContact O-CZ 3.26Å; A61-R67 PolarHBondContact O-NE 3.27Å; A61-R67 PolarHBondContact O-NH2 3.37Å; N63-R67 VanDerWaalsContact O-CB 3.27Å; N63-R67 WeakPolarHBondContact O-CB 3.13Å; N63-R67 PolarHBondContact O-N 2.9Å; P64-R67 PolarHBondContact O-N 3.34Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 2.91Å; R67-P72 WeakPolarHBondContact O-CD 3.42Å; R67-P72 VanDerWaalsContact O-CG 3.3Å; R67-P72 WeakPolarHBondContact O-CG 3.39Å; R67-M91 HydrophobicContact CG-CE 3.85Å; R67-M91 HydrophobicContact CG-SD 3.83Å; R67-Y95 VanDerWaalsContact CZ-CG 3.43Å; R67-Y95 VanDerWaalsContact NH2-CD2 3.31Å
68	Y	90.6	Very high	84	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.247	C	C	.	.	I	π-helix	trans	-108	-11.6	-174.3	-52.8	-43.9	0	0	0	114.2	P64 S98 A102 W159 D162	P64-Y68 HydrophobicContact CB-CD2 4.21Å; P64-Y68 HydrophobicContact CB-CE2 4.17Å; P64-Y68 WeakPolarHBondContact O-CD2 3.38Å; P64-Y68 PolarHBondContact O-N 3.35Å; Y68-S98 WeakPolarHBondContact CE1-OG 3.39Å; Y68-S98 PolarHBondContact OH-OG 2.85Å; Y68-A102 HydrophobicContact CD1-CB 4.28Å; Y68-W159 AromaticContact CD2-CD1 3.63Å; Y68-W159 AromaticContact CE2-CD1 3.84Å; Y68-D162 PolarHBondContact OH-OD1 3.41Å; Y68-D162 PolarHBondContact OH-OD2 3.48Å
69	L	90.8	Very high	84.4	Confident	52 Å²	52	42.7 Å²	42.7	27%	0.272	23%	0.232	S	C	.	.	I	π-helix	trans	-114.1	-65.7	175.3	-174.9	66.3	0	0	0	111.6	V65 C73 L151 F155	V65-L69 HydrophobicContact CG1-CD2 4.38Å; V65-L69 WeakPolarHBondContact O-CA 3.31Å; V65-L69 VanDerWaalsContact O-CB 3.23Å; V65-L69 WeakPolarHBondContact O-CB 3.32Å; V65-L69 PolarHBondContact O-N 2.87Å; L69-C73 VanDerWaalsContact O-CB 3.3Å; L69-C73 WeakPolarHBondContact O-CB 3.49Å; L69-C73 PolarHBondContact O-N 3.26Å; L69-C73 PolarHBondContact O-SG 2.86Å; L69-L151 HydrophobicContact CD1-CB 3.97Å; L69-L151 HydrophobicContact CD1-CD2 4.14Å; L69-L151 WeakPolarHBondContact CD1-O 3.49Å; L69-F155 HydrophobicContact CB-CD2 4.14Å
70	L	89.8	Confident	84.7	Confident	83 Å²	83	33.7 Å²	33.7	44%	0.435	20%	0.2	S	C	.	.	I	π-helix	trans	-67	-48.6	-171.1	-64.1	177.5	0	0	0	113.2	V65 C73 I74	V65-L70 PolarHBondContact O-N 3.02Å; L70-C73 PolarHBondContact O-N 3.27Å; L70-I74 WeakPolarHBondContact O-CB 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.49Å
71	L	90.1	Very high	84.8	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-68.7	-46.2	-175.7	-176.4	68	0	0	0	112.7	F56 A57 C60 S66 C73 G75 L87 M91 Y99	F56-L71 HydrophobicContact CD1-CD1 4.28Å; F56-L71 HydrophobicContact CE1-CD1 4.13Å; A57-L71 HydrophobicContact CB-CD1 3.99Å; C60-L71 HydrophobicContact CB-CB 3.81Å; C60-L71 HydrophobicContact CB-CD1 4.34Å; C60-L71 HydrophobicContact CB-CD2 4.07Å; C60-L71 HydrophobicContact CB-CG 4.31Å; S66-L71 VanDerWaalsContact O-CB 3.23Å; S66-L71 WeakPolarHBondContact O-CB 3.17Å; S66-L71 PolarHBondContact O-N 3.48Å; L71-C73 VanDerWaalsContact C-N 3.32Å; L71-C73 PolarHBondContact O-N 2.8Å; L71-G75 VanDerWaalsContact O-CA 3.29Å; L71-G75 WeakPolarHBondContact O-CA 3.4Å; L71-G75 PolarHBondContact O-N 2.78Å; L71-L87 HydrophobicContact CD1-CD1 4.05Å; L71-L87 HydrophobicContact CG-CD1 4.49Å; L71-M91 HydrophobicContact CD2-CE 3.1Å; L71-Y99 HydrophobicContact CB-CE2 4.43Å; L71-Y99 HydrophobicContact CD2-CD2 4.17Å; L71-Y99 HydrophobicContact CD2-CE2 3.66Å; L71-Y99 HydrophobicContact CG-CE2 3.83Å
72	P	91.1	Very high	84.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-44.2	173.2	-30.9	40.9	0	0	0	111.9	R67 T76 Y99 A102 A103	R67-P72 WeakPolarHBondContact O-CD 3.42Å; R67-P72 VanDerWaalsContact O-CG 3.3Å; R67-P72 WeakPolarHBondContact O-CG 3.39Å; P72-T76 WeakPolarHBondContact O-CB 3.34Å; P72-T76 PolarHBondContact O-N 2.82Å; P72-T76 PolarHBondContact O-OG1 3.29Å; P72-Y99 HydrophobicContact CG-CD2 4.33Å; P72-Y99 HydrophobicContact CG-CE2 4.03Å; P72-A102 HydrophobicContact CB-CB 4.39Å; P72-A102 HydrophobicContact CG-CB 3.88Å; P72-A103 HydrophobicContact CB-CB 4.39Å
73	C	90.6	Very high	84.8	Confident	21 Å²	21	38.1 Å²	38.1	14%	0.142	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-48.4	-176.5	-64.5	0	0	0	0	112.8	L69 L70 L71 F77 L151	L69-C73 VanDerWaalsContact O-CB 3.3Å; L69-C73 WeakPolarHBondContact O-CB 3.49Å; L69-C73 PolarHBondContact O-N 3.26Å; L69-C73 PolarHBondContact O-SG 2.86Å; L70-C73 PolarHBondContact O-N 3.27Å; L71-C73 VanDerWaalsContact C-N 3.32Å; L71-C73 PolarHBondContact O-N 2.8Å; C73-F77 VanDerWaalsContact O-CB 3.31Å; C73-F77 WeakPolarHBondContact O-CB 3.2Å; C73-F77 PolarHBondContact O-N 2.84Å; C73-L151 HydrophobicContact CB-CD2 4.31Å; C73-L151 WeakPolarHBondContact SG-CD2 3.16Å
74	I	88.2	Confident	85	Confident	79 Å²	79	34.2 Å²	34.2	41%	0.405	18%	0.184	S	C	.	.	H	α-helix	trans	-69.9	-43.4	179.4	-66	166	0	0	0	109.8	F56 L70 T76 F77 V78	F56-I74 HydrophobicContact CE1-CB 4.42Å; F56-I74 HydrophobicContact CE1-CD1 3.96Å; F56-I74 HydrophobicContact CE1-CG2 4.26Å; F56-I74 HydrophobicContact CZ-CD1 3.6Å; L70-I74 WeakPolarHBondContact O-CB 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.49Å; I74-T76 PolarHBondContact O-N 3.13Å; I74-F77 PolarHBondContact O-N 3.43Å; I74-V78 HydrophobicContact CG2-CG2 4.26Å; I74-V78 WeakPolarHBondContact O-CB 3.37Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.36Å
75	G	86.6	Confident	85	Confident	2 Å²	2	32.1 Å²	32.1	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-47.6	177.6	0	0	0	0	0	111.6	L71 V78 F79 T84	L71-G75 VanDerWaalsContact O-CA 3.29Å; L71-G75 WeakPolarHBondContact O-CA 3.4Å; L71-G75 PolarHBondContact O-N 2.78Å; G75-V78 PolarHBondContact O-N 2.88Å; G75-F79 WeakPolarHBondContact O-CB 3.41Å; G75-F79 WeakPolarHBondContact O-CD2 3.27Å; G75-F79 PolarHBondContact O-N 2.88Å; G75-T84 PolarHBondContact O-OG1 3.09Å
76	T	89.6	Confident	84.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-39.5	-179.7	-67.9	0	0	0	0	112.3	P72 I74 V78 C80 T84 A103 C107 M110 I117	P72-T76 WeakPolarHBondContact O-CB 3.34Å; P72-T76 PolarHBondContact O-N 2.82Å; P72-T76 PolarHBondContact O-OG1 3.29Å; I74-T76 PolarHBondContact O-N 3.13Å; T76-V78 VanDerWaalsContact C-N 3.31Å; T76-V78 PolarHBondContact O-N 2.88Å; T76-C80 WeakPolarHBondContact O-CA 3.31Å; T76-C80 PolarHBondContact O-N 2.93Å; T76-C80 VanDerWaalsContact O-N 3.11Å; T76-T84 WeakPolarHBondContact CA-OG1 3.45Å; T76-T84 PolarHBondContact N-OG1 3.2Å; T76-T84 WeakPolarHBondContact OG1-CG2 3.33Å; T76-T84 PolarHBondContact OG1-OG1 3.04Å; T76-A103 PolarHBondContact OG1-O 3.36Å; T76-C107 HydrophobicContact CG2-CB 4.32Å; T76-M110 HydrophobicContact CG2-SD 3.91Å; T76-I117 HydrophobicContact CG2-CD1 4.31Å; T76-I117 HydrophobicContact CG2-CG2 3.23Å
77	F	87.8	Confident	84.4	Confident	72 Å²	72	28.9 Å²	28.9	32%	0.316	15%	0.151	S	C	.	.	H	α-helix	trans	-62.9	-37.2	174.3	-178.5	-98.5	0	0	0	113.1	C73 I74 M110 F114 H116 I117	C73-F77 VanDerWaalsContact O-CB 3.31Å; C73-F77 WeakPolarHBondContact O-CB 3.2Å; C73-F77 PolarHBondContact O-N 2.84Å; I74-F77 PolarHBondContact O-N 3.43Å; F77-M110 HydrophobicContact CB-CE 3.97Å; F77-F114 HydrophobicContact CD2-CD1 4.17Å; F77-F114 HydrophobicContact CD2-CD2 4.11Å; F77-F114 HydrophobicContact CD2-CE1 4.33Å; F77-F114 HydrophobicContact CD2-CE2 4.27Å; F77-F114 HydrophobicContact CD2-CG 4.05Å; F77-F114 HydrophobicContact CD2-CZ 4.37Å; F77-F114 AromaticContact CE2-CD1 3.63Å; F77-F114 HydrophobicContact CE2-CD1 3.63Å; F77-F114 HydrophobicContact CE2-CD2 4.34Å; F77-F114 AromaticContact CE2-CE1 3.63Å; F77-F114 HydrophobicContact CE2-CE1 3.63Å; F77-F114 HydrophobicContact CE2-CE2 4.34Å; F77-F114 AromaticContact CE2-CG 3.99Å; F77-F114 HydrophobicContact CE2-CG 3.99Å; F77-F114 HydrophobicContact CE2-CZ 4Å; F77-H116 AromaticContact CE2-CE1 3.92Å; F77-H116 PolarHBondContact O-NE2 3.05Å; F77-H116 VanDerWaalsContact O-NE2 3.13Å; F77-I117 HydrophobicContact CB-CD1 4.45Å; F77-I117 HydrophobicContact CD2-CD1 4.29Å
78	V	80.5	Confident	84.1	Confident	22 Å²	22	28.3 Å²	28.3	13%	0.133	15%	0.149	C	C	.	.	H	α-helix	trans	-88.2	-46.6	-174.1	173.7	0	0	0	0	112.7	M41 I45 I74 G75 T76	M41-V78 HydrophobicContact CE-CB 4.42Å; M41-V78 HydrophobicContact CE-CG1 4.26Å; M41-V78 HydrophobicContact CE-CG2 4.37Å; I45-V78 HydrophobicContact CD1-CG1 3.81Å; I45-V78 HydrophobicContact CG1-CG1 3.61Å; I74-V78 HydrophobicContact CG2-CG2 4.26Å; I74-V78 WeakPolarHBondContact O-CB 3.37Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.36Å; G75-V78 PolarHBondContact O-N 2.88Å; T76-V78 VanDerWaalsContact C-N 3.31Å; T76-V78 PolarHBondContact O-N 2.88Å
79	F	78.6	Confident	83.5	Confident	50 Å²	50	32.4 Å²	32.4	22%	0.219	16%	0.164	C	C	.	.	H	α-helix	trans	-99.1	-13	-171.6	-65.7	-71.8	0	0	0	114.1	I45 I53 G75 M83 L87	I45-F79 HydrophobicContact CD1-CD1 4.15Å; I45-F79 HydrophobicContact CD1-CE1 4.07Å; I53-F79 HydrophobicContact CB-CZ 4.5Å; I53-F79 HydrophobicContact CD1-CZ 4.08Å; I53-F79 HydrophobicContact CG2-CE2 3.66Å; I53-F79 HydrophobicContact CG2-CZ 3.57Å; G75-F79 WeakPolarHBondContact O-CB 3.41Å; G75-F79 WeakPolarHBondContact O-CD2 3.27Å; G75-F79 PolarHBondContact O-N 2.88Å; F79-M83 HydrophobicContact CB-CB 4.16Å; F79-M83 WeakPolarHBondContact O-CB 3.39Å; F79-L87 HydrophobicContact CD2-CD1 3.83Å; F79-L87 HydrophobicContact CD2-CD2 4.26Å; F79-L87 HydrophobicContact CD2-CG 4.22Å; F79-L87 HydrophobicContact CE2-CD1 3.96Å; F79-L87 HydrophobicContact CE2-CD2 3.79Å; F79-L87 HydrophobicContact CE2-CG 4.24Å; F79-L87 HydrophobicContact CZ-CD2 4.36Å
80	C	81.5	Confident	83	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.074	16%	0.159	C	C	.	.			trans	60	174.7	-177.8	-52.5	0	0	0	0	113.7	T76 M83 T84 H116 I117	T76-C80 WeakPolarHBondContact O-CA 3.31Å; T76-C80 PolarHBondContact O-N 2.93Å; T76-C80 VanDerWaalsContact O-N 3.11Å; C80-M83 PolarHBondContact O-N 3.13Å; C80-M83 VanDerWaalsContact O-N 3.16Å; C80-T84 WeakPolarHBondContact O-CB 3.25Å; C80-T84 WeakPolarHBondContact O-CG2 3.38Å; C80-T84 PolarHBondContact O-N 2.91Å; C80-H116 PolarHBondContact SG-O 3.4Å; C80-I117 WeakPolarHBondContact CA-O 3.23Å; C80-I117 WeakPolarHBondContact CB-O 3.49Å
81	N	78.3	Confident	82.6	Confident	38 Å²	38	28.3 Å²	28.3	20%	0.203	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	138.9	172	-166.2	31.8	0	0	0	110.5	C107 I117 N118	N81-C107 HydrophobicContact CB-CB 4.08Å; N81-I117 PolarHBondContact N-O 2.89Å; N81-N118 HydrophobicContact CB-CB 4.27Å; N81-N118 PolarHBondContact ND2-OD1 3.02Å
82	P	66.9	Low	82	Confident	42 Å²	42	31.5 Å²	31.5	27%	0.273	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.9	2.3	-9.6	37	-35.2	0	0	0	114.1	T84 L85 L410	P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.11Å; P82-L85 HydrophobicContact CB-CD1 4Å; P82-L85 WeakPolarHBondContact O-CB 2.99Å; P82-L85 VanDerWaalsContact O-CG 3.23Å; P82-L85 WeakPolarHBondContact O-CG 3.34Å; P82-L85 PolarHBondContact O-N 3.23Å; P82-L410 HydrophobicContact CB-CD1 3.9Å; P82-L410 HydrophobicContact CG-CD1 4.19Å
83	M	74.6	Confident	81.6	Confident	99 Å²	99	33.2 Å²	33.2	49%	0.488	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-64.2	-27.7	-171.5	-73.2	-58.7	-61.1	0	0	114.1	F79 C80 L85 S86	F79-M83 HydrophobicContact CB-CB 4.16Å; F79-M83 WeakPolarHBondContact O-CB 3.39Å; C80-M83 PolarHBondContact O-N 3.13Å; C80-M83 VanDerWaalsContact O-N 3.16Å; M83-L85 PolarHBondContact O-N 3.12Å; M83-L85 VanDerWaalsContact O-N 3.16Å; M83-S86 WeakPolarHBondContact O-CB 3.48Å; M83-S86 PolarHBondContact O-N 2.82Å; M83-S86 PolarHBondContact O-OG 2.97Å
84	T	84.2	Confident	81.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.4	171.7	-173.3	0	0	0	0	113.1	G75 T76 C80 P82 S86 L87 Y99	G75-T84 PolarHBondContact O-OG1 3.09Å; T76-T84 WeakPolarHBondContact CA-OG1 3.45Å; T76-T84 PolarHBondContact N-OG1 3.2Å; T76-T84 WeakPolarHBondContact OG1-CG2 3.33Å; T76-T84 PolarHBondContact OG1-OG1 3.04Å; C80-T84 WeakPolarHBondContact O-CB 3.25Å; C80-T84 WeakPolarHBondContact O-CG2 3.38Å; C80-T84 PolarHBondContact O-N 2.91Å; P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.11Å; T84-S86 PolarHBondContact O-N 2.54Å; T84-L87 WeakPolarHBondContact O-CB 3.23Å; T84-L87 PolarHBondContact O-N 2.87Å; T84-Y99 PolarHBondContact O-OH 2.92Å
85	L	83.1	Confident	81.2	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-67.1	-27.8	179.6	-52.4	174.5	0	0	0	111.5	P82 M83 L87 G88 Y100 A103	P82-L85 HydrophobicContact CB-CD1 4Å; P82-L85 WeakPolarHBondContact O-CB 2.99Å; P82-L85 VanDerWaalsContact O-CG 3.23Å; P82-L85 WeakPolarHBondContact O-CG 3.34Å; P82-L85 PolarHBondContact O-N 3.23Å; M83-L85 PolarHBondContact O-N 3.12Å; M83-L85 VanDerWaalsContact O-N 3.16Å; L85-L87 PolarHBondContact O-N 3.5Å; L85-G88 PolarHBondContact O-N 3.05Å; L85-Y100 HydrophobicContact CD1-CD2 4.22Å; L85-Y100 HydrophobicContact CD1-CE2 3.78Å; L85-Y100 HydrophobicContact CD2-CD2 3.91Å; L85-Y100 HydrophobicContact CD2-CE2 4.08Å; L85-Y100 HydrophobicContact CG-CD2 4.49Å; L85-Y100 HydrophobicContact CG-CE2 4.48Å; L85-A103 HydrophobicContact CD2-CB 3.89Å
86	S	77.9	Confident	81.3	Confident	11 Å²	11	36 Å²	36	8%	0.077	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.9	178.7	73	0	0	0	0	114.2	M83 T84 G88 R89 L410	M83-S86 WeakPolarHBondContact O-CB 3.48Å; M83-S86 PolarHBondContact O-N 2.82Å; M83-S86 PolarHBondContact O-OG 2.97Å; T84-S86 PolarHBondContact O-N 2.54Å; S86-G88 PolarHBondContact O-N 3.31Å; S86-G88 VanDerWaalsContact O-N 3.11Å; S86-R89 VanDerWaalsContact O-CG 3.24Å; S86-R89 WeakPolarHBondContact O-CG 3.4Å; S86-R89 PolarHBondContact O-N 2.62Å; S86-R89 VanDerWaalsContact O-N 3.12Å; S86-L410 WeakPolarHBondContact CA-O 2.86Å
87	L	82.6	Confident	81.2	Confident	5 Å²	5	36 Å²	36	3%	0.026	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63.5	-16.3	173.9	-63.2	175.8	0	0	0	112.4	A57 L71 F79 T84 L85 R89 F90 Y99	A57-L87 HydrophobicContact CB-CD2 4.38Å; L71-L87 HydrophobicContact CD1-CD1 4.05Å; L71-L87 HydrophobicContact CG-CD1 4.49Å; F79-L87 HydrophobicContact CD2-CD1 3.83Å; F79-L87 HydrophobicContact CD2-CD2 4.26Å; F79-L87 HydrophobicContact CD2-CG 4.22Å; F79-L87 HydrophobicContact CE2-CD1 3.96Å; F79-L87 HydrophobicContact CE2-CD2 3.79Å; F79-L87 HydrophobicContact CE2-CG 4.24Å; F79-L87 HydrophobicContact CZ-CD2 4.36Å; T84-L87 WeakPolarHBondContact O-CB 3.23Å; T84-L87 PolarHBondContact O-N 2.87Å; L85-L87 PolarHBondContact O-N 3.5Å; L87-R89 PolarHBondContact O-N 2.82Å; L87-F90 HydrophobicContact CD2-CD2 4.41Å; L87-F90 HydrophobicContact CD2-CE2 4.27Å; L87-F90 WeakPolarHBondContact O-CD2 3.46Å; L87-F90 PolarHBondContact O-N 3.44Å; L87-Y99 HydrophobicContact CB-CE1 4.13Å; L87-Y99 WeakPolarHBondContact CB-OH 3.49Å
88	G	82.6	Confident	81.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.6	-21.7	172.8	0	0	0	0	0	113.7	L85 S86 F90 M91 Y99	L85-G88 PolarHBondContact O-N 3.05Å; S86-G88 PolarHBondContact O-N 3.31Å; S86-G88 VanDerWaalsContact O-N 3.11Å; G88-F90 PolarHBondContact O-N 3.08Å; G88-F90 VanDerWaalsContact O-N 3.11Å; G88-M91 VanDerWaalsContact O-CB 3.26Å; G88-M91 WeakPolarHBondContact O-CB 3.24Å; G88-M91 PolarHBondContact O-N 2.81Å; G88-Y99 VanDerWaalsContact CA-CD1 3.46Å; G88-Y99 VanDerWaalsContact N-CE1 3.32Å
89	R	78.3	Confident	81.7	Confident	88 Å²	88	31.6 Å²	31.6	33%	0.332	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-60.7	-21.9	175.1	76.9	-171	174.6	-164.4	-2.6	113.9	E54 S86 L87 M91 A411 E412	E54-R89 IonicContact OE1-NH2 3.45Å; S86-R89 VanDerWaalsContact O-CG 3.24Å; S86-R89 WeakPolarHBondContact O-CG 3.4Å; S86-R89 PolarHBondContact O-N 2.62Å; S86-R89 VanDerWaalsContact O-N 3.12Å; L87-R89 PolarHBondContact O-N 2.82Å; R89-M91 VanDerWaalsContact C-N 3.28Å; R89-A411 WeakPolarHBondContact CA-O 3.19Å; R89-A411 PolarHBondContact N-O 2.87Å; R89-E412 HydrophobicContact CB-CB 4.17Å; R89-E412 HydrophobicContact CB-CG 4.15Å; R89-E412 WeakPolarHBondContact CD-OE1 3.26Å
90	F	80.7	Confident	82.2	Confident	39 Å²	39	29.4 Å²	29.4	17%	0.171	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-87	1.2	176.7	-57.5	-65.7	0	0	0	113	E54 A57 Q58 L87 G88	E54-F90 HydrophobicContact CB-CE1 4.22Å; E54-F90 HydrophobicContact CB-CZ 3.98Å; E54-F90 HydrophobicContact CG-CE1 4.23Å; E54-F90 HydrophobicContact CG-CE2 4.22Å; E54-F90 HydrophobicContact CG-CZ 3.58Å; A57-F90 HydrophobicContact CB-CB 4.28Å; A57-F90 HydrophobicContact CB-CD2 3.76Å; A57-F90 HydrophobicContact CB-CE2 4.45Å; A57-F90 HydrophobicContact CB-CG 4.2Å; Q58-F90 HydrophobicContact CG-CB 4.17Å; Q58-F90 HydrophobicContact CG-CD1 4.03Å; Q58-F90 HydrophobicContact CG-CG 4.35Å; L87-F90 HydrophobicContact CD2-CD2 4.41Å; L87-F90 HydrophobicContact CD2-CE2 4.27Å; L87-F90 WeakPolarHBondContact O-CD2 3.46Å; L87-F90 PolarHBondContact O-N 3.44Å; G88-F90 PolarHBondContact O-N 3.08Å; G88-F90 VanDerWaalsContact O-N 3.11Å
91	M	80.1	Confident	82.3	Confident	9 Å²	9	28.9 Å²	28.9	4%	0.044	14%	0.14	C	C	.	.	S	Bend	trans	-97.2	147.3	177.6	-60.9	-66.7	163.3	0	0	111.3	A61 R67 L71 G88 R89 K96 Y99	A61-M91 VanDerWaalsContact CA-SD 3.57Å; A61-M91 HydrophobicContact CB-CE 3.95Å; A61-M91 HydrophobicContact CB-SD 3.39Å; A61-M91 WeakPolarHBondContact CB-SD 3.41Å; R67-M91 HydrophobicContact CG-CE 3.85Å; R67-M91 HydrophobicContact CG-SD 3.83Å; L71-M91 HydrophobicContact CD2-CE 3.1Å; G88-M91 VanDerWaalsContact O-CB 3.26Å; G88-M91 WeakPolarHBondContact O-CB 3.24Å; G88-M91 PolarHBondContact O-N 2.81Å; R89-M91 VanDerWaalsContact C-N 3.28Å; M91-K96 HydrophobicContact CB-CG 4.14Å; M91-K96 WeakPolarHBondContact O-CE 3.39Å; M91-Y99 HydrophobicContact CE-CD2 4.18Å; M91-Y99 HydrophobicContact CG-CG 4.39Å
92	P	78.7	Confident	82.8	Confident	70 Å²	70	27.1 Å²	27.1	46%	0.455	13%	0.131	S	C	.	.			trans	-54.7	147.8	162.2	-22	32.7	0	0	0	111.1	K94 Y95 K96	P92-K94 PolarHBondContact O-N 2.9Å; P92-K94 VanDerWaalsContact O-N 3.13Å; P92-Y95 HydrophobicContact CB-CD2 4.02Å; P92-Y95 HydrophobicContact CG-CD2 3.92Å; P92-Y95 HydrophobicContact CG-CE2 4.43Å; P92-Y95 PolarHBondContact O-N 3.19Å; P92-K96 PolarHBondContact O-N 3.46Å
93	E	82.5	Confident	83.9	Confident	36 Å²	36	25.1 Å²	25.1	17%	0.168	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-49.7	-43.3	-177.8	-68.5	-55.1	146.7	0	0	112.6	Y95 K96 P97 L176 R414 T417	E93-Y95 PolarHBondContact O-N 2.9Å; E93-K96 VanDerWaalsContact CD-NZ 3.31Å; E93-K96 PolarHBondContact O-N 2.76Å; E93-K96 IonicContact OE1-NZ 2.77Å; E93-K96 PolarHBondContact OE1-NZ 3.47Å; E93-K96 WeakPolarHBondContact OE2-CD 3.22Å; E93-K96 IonicContact OE2-NZ 2.75Å; E93-K96 PolarHBondContact OE2-NZ 3.41Å; E93-P97 WeakPolarHBondContact O-CD 3.35Å; E93-L176 HydrophobicContact CB-CB 4.3Å; E93-R414 HydrophobicContact CG-CG 4.42Å; E93-R414 PolarHBondContact OE2-N 2.82Å; E93-R414 VanDerWaalsContact OE2-N 3.17Å; E93-T417 HydrophobicContact CB-CG2 4.26Å; E93-T417 WeakPolarHBondContact CB-OG1 3.49Å; E93-T417 VanDerWaalsContact O-CG2 3.23Å; E93-T417 WeakPolarHBondContact O-CG2 3.33Å; E93-T417 WeakPolarHBondContact OE2-CB 3.4Å; E93-T417 WeakPolarHBondContact OE2-CG2 3.18Å; E93-T417 PolarHBondContact OE2-OG1 2.81Å
94	K	82.2	Confident	84.4	Confident	86 Å²	86	20.5 Å²	20.5	37%	0.374	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-51.9	-30.9	177.1	-177.4	171.7	-176.6	167.7	0	114.6	P92	P92-K94 PolarHBondContact O-N 2.9Å; P92-K94 VanDerWaalsContact O-N 3.13Å
95	Y	88.1	Confident	84.5	Confident	66 Å²	66	21.2 Å²	21.2	26%	0.259	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-108.3	0.7	-172.3	-57.6	-53.5	0	0	0	113.8	R67 P92 E93 S98 Y99 D162	R67-Y95 VanDerWaalsContact CZ-CG 3.43Å; R67-Y95 VanDerWaalsContact NH2-CD2 3.31Å; P92-Y95 HydrophobicContact CB-CD2 4.02Å; P92-Y95 HydrophobicContact CG-CD2 3.92Å; P92-Y95 HydrophobicContact CG-CE2 4.43Å; P92-Y95 PolarHBondContact O-N 3.19Å; E93-Y95 PolarHBondContact O-N 2.9Å; Y95-S98 PolarHBondContact O-OG 3.4Å; Y95-S98 VanDerWaalsContact O-OG 3.11Å; Y95-Y99 WeakPolarHBondContact O-CB 3.37Å; Y95-Y99 PolarHBondContact O-N 3.42Å; Y95-D162 WeakPolarHBondContact CD1-OD1 3.49Å
96	K	89.1	Confident	84.8	Confident	9 Å²	9	21.1 Å²	21.1	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-43.2	174.4	-67.9	-176	-179.6	173.7	0	112.3	M91 P92 E93 S98 Y99 Y100 L408 A411 E412 A413 T417	M91-K96 HydrophobicContact CB-CG 4.14Å; M91-K96 WeakPolarHBondContact O-CE 3.39Å; P92-K96 PolarHBondContact O-N 3.46Å; E93-K96 VanDerWaalsContact CD-NZ 3.31Å; E93-K96 PolarHBondContact O-N 2.76Å; E93-K96 IonicContact OE1-NZ 2.77Å; E93-K96 PolarHBondContact OE1-NZ 3.47Å; E93-K96 WeakPolarHBondContact OE2-CD 3.22Å; E93-K96 IonicContact OE2-NZ 2.75Å; E93-K96 PolarHBondContact OE2-NZ 3.41Å; K96-S98 PolarHBondContact O-N 2.77Å; K96-Y99 PolarHBondContact O-N 2.98Å; K96-Y100 WeakPolarHBondContact O-CB 3.48Å; K96-Y100 PolarHBondContact O-N 3.23Å; K96-L408 HydrophobicContact CB-CD2 4.24Å; K96-A411 HydrophobicContact CD-CB 4.46Å; K96-A411 WeakPolarHBondContact CE-O 3.21Å; K96-A411 PolarHBondContact NZ-O 2.98Å; K96-E412 PolarHBondContact NZ-O 3.33Å; K96-A413 HydrophobicContact CD-CB 3.82Å; K96-T417 HydrophobicContact CB-CG2 4.19Å
97	P	87.2	Confident	85.3	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-43.9	177.3	-24.8	35.9	0	0	0	113.6	E93 Y100 A101 T161 T165 T417 V425	E93-P97 WeakPolarHBondContact O-CD 3.35Å; P97-Y100 WeakPolarHBondContact O-CB 3.18Å; P97-Y100 PolarHBondContact O-N 3.36Å; P97-A101 PolarHBondContact O-N 3.49Å; P97-T161 HydrophobicContact CB-CG2 3.99Å; P97-T165 HydrophobicContact CG-CG2 4.24Å; P97-T417 HydrophobicContact CG-CG2 4.32Å; P97-V425 HydrophobicContact CB-CG2 4.39Å
98	S	88.6	Confident	85.5	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-72.4	-36.3	-179.8	48.1	0	0	0	0	113.2	Y68 Y95 K96 A101 A102 G158 D162	Y68-S98 WeakPolarHBondContact CE1-OG 3.39Å; Y68-S98 PolarHBondContact OH-OG 2.85Å; Y95-S98 PolarHBondContact O-OG 3.4Å; Y95-S98 VanDerWaalsContact O-OG 3.11Å; K96-S98 PolarHBondContact O-N 2.77Å; S98-A101 PolarHBondContact O-N 3.34Å; S98-A102 PolarHBondContact O-N 3.48Å; S98-A102 VanDerWaalsContact O-N 3.17Å; S98-G158 WeakPolarHBondContact CB-O 3.39Å; S98-D162 WeakPolarHBondContact CB-OD1 3.43Å; S98-D162 PolarHBondContact OG-OD1 3.1Å
99	Y	90.1	Very high	85.9	Confident	1 Å²	1	20.7 Å²	20.7	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-47.6	169.8	176.1	-100.7	0	0	0	111.3	L71 P72 T84 L87 G88 M91 Y95 K96 A101 A102 A103	L71-Y99 HydrophobicContact CB-CE2 4.43Å; L71-Y99 HydrophobicContact CD2-CD2 4.17Å; L71-Y99 HydrophobicContact CD2-CE2 3.66Å; L71-Y99 HydrophobicContact CG-CE2 3.83Å; P72-Y99 HydrophobicContact CG-CD2 4.33Å; P72-Y99 HydrophobicContact CG-CE2 4.03Å; T84-Y99 PolarHBondContact O-OH 2.92Å; L87-Y99 HydrophobicContact CB-CE1 4.13Å; L87-Y99 WeakPolarHBondContact CB-OH 3.49Å; G88-Y99 VanDerWaalsContact CA-CD1 3.46Å; G88-Y99 VanDerWaalsContact N-CE1 3.32Å; M91-Y99 HydrophobicContact CE-CD2 4.18Å; M91-Y99 HydrophobicContact CG-CG 4.39Å; Y95-Y99 WeakPolarHBondContact O-CB 3.37Å; Y95-Y99 PolarHBondContact O-N 3.42Å; K96-Y99 PolarHBondContact O-N 2.98Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.44Å; Y99-A102 PolarHBondContact O-N 2.84Å; Y99-A103 HydrophobicContact CD1-CB 4.48Å; Y99-A103 HydrophobicContact CE1-CB 3.94Å; Y99-A103 HydrophobicContact CE2-CB 4.19Å; Y99-A103 VanDerWaalsContact O-CB 3.3Å; Y99-A103 WeakPolarHBondContact O-CB 3.11Å; Y99-A103 PolarHBondContact O-N 3.33Å
100	Y	88.2	Confident	86.5	Confident	5 Å²	5	17 Å²	17	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-53.6	-51.1	176	171.6	-86.2	0	0	0	110.9	L85 K96 P97 A102 A103 S104 A400 F403 I404 V425	L85-Y100 HydrophobicContact CD1-CD2 4.22Å; L85-Y100 HydrophobicContact CD1-CE2 3.78Å; L85-Y100 HydrophobicContact CD2-CD2 3.91Å; L85-Y100 HydrophobicContact CD2-CE2 4.08Å; L85-Y100 HydrophobicContact CG-CD2 4.49Å; L85-Y100 HydrophobicContact CG-CE2 4.48Å; K96-Y100 WeakPolarHBondContact O-CB 3.48Å; K96-Y100 PolarHBondContact O-N 3.23Å; P97-Y100 WeakPolarHBondContact O-CB 3.18Å; P97-Y100 PolarHBondContact O-N 3.36Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 3.43Å; Y100-A103 PolarHBondContact O-N 3.19Å; Y100-S104 VanDerWaalsContact O-CB 3.29Å; Y100-S104 WeakPolarHBondContact O-CB 3.3Å; Y100-S104 PolarHBondContact O-N 3.09Å; Y100-S104 PolarHBondContact O-OG 3.26Å; Y100-S104 VanDerWaalsContact O-OG 3.06Å; Y100-A400 PolarHBondContact OH-O 3.45Å; Y100-F403 WeakPolarHBondContact OH-CB 3.03Å; Y100-F403 PolarHBondContact OH-O 3.5Å; Y100-I404 HydrophobicContact CD1-CG1 4.22Å; Y100-I404 HydrophobicContact CD1-CG2 4.33Å; Y100-I404 HydrophobicContact CE1-CB 4.02Å; Y100-I404 HydrophobicContact CE1-CG1 3.38Å; Y100-I404 HydrophobicContact CE1-CG2 4.22Å; Y100-I404 VanDerWaalsContact CZ-CA 3.46Å; Y100-I404 WeakPolarHBondContact OH-CA 3.48Å; Y100-I404 PolarHBondContact OH-N 2.95Å; Y100-I404 VanDerWaalsContact OH-N 3.09Å; Y100-V425 HydrophobicContact CD1-CG2 4.49Å; Y100-V425 HydrophobicContact CE1-CG1 4.47Å
101	A	84.7	Confident	86.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.2	-35.8	-177.1	0	0	0	0	0	113.2	P97 S98 Y99 R157 T161	P97-A101 PolarHBondContact O-N 3.49Å; S98-A101 PolarHBondContact O-N 3.34Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.44Å; A101-R157 HydrophobicContact CB-CG 4.15Å; A101-R157 WeakPolarHBondContact O-CD 3.29Å; A101-T161 HydrophobicContact CB-CG2 4.25Å; A101-T161 WeakPolarHBondContact CB-OG1 3.25Å
102	A	89.2	Confident	87.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-77.5	-41.9	176.6	0	0	0	0	0	112.7	Y68 P72 S98 Y99 Y100 S106	Y68-A102 HydrophobicContact CD1-CB 4.28Å; P72-A102 HydrophobicContact CB-CB 4.39Å; P72-A102 HydrophobicContact CG-CB 3.88Å; S98-A102 PolarHBondContact O-N 3.48Å; S98-A102 VanDerWaalsContact O-N 3.17Å; Y99-A102 PolarHBondContact O-N 2.84Å; Y100-A102 VanDerWaalsContact C-N 3.28Å; Y100-A102 PolarHBondContact O-N 3.43Å; A102-S106 WeakPolarHBondContact O-CB 3.36Å; A102-S106 PolarHBondContact O-N 3.23Å; A102-S106 PolarHBondContact O-OG 2.97Å
103	A	89.2	Confident	87.7	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.3	-42.4	-177.7	0	0	0	0	0	112.6	P72 T76 L85 Y99 Y100 S106 C107	P72-A103 HydrophobicContact CB-CB 4.39Å; T76-A103 PolarHBondContact OG1-O 3.36Å; L85-A103 HydrophobicContact CD2-CB 3.89Å; Y99-A103 HydrophobicContact CD1-CB 4.48Å; Y99-A103 HydrophobicContact CE1-CB 3.94Å; Y99-A103 HydrophobicContact CE2-CB 4.19Å; Y99-A103 VanDerWaalsContact O-CB 3.3Å; Y99-A103 WeakPolarHBondContact O-CB 3.11Å; Y99-A103 PolarHBondContact O-N 3.33Å; Y100-A103 PolarHBondContact O-N 3.19Å; A103-S106 WeakPolarHBondContact O-CB 3.21Å; A103-S106 PolarHBondContact O-N 3.02Å; A103-C107 PolarHBondContact O-N 3.48Å; A103-C107 PolarHBondContact O-SG 2.93Å
104	S	85.7	Confident	88	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-45.5	-179.2	70.7	0	0	0	0	111.9	Y100 S106 C107 H108 A400	Y100-S104 VanDerWaalsContact O-CB 3.29Å; Y100-S104 WeakPolarHBondContact O-CB 3.3Å; Y100-S104 PolarHBondContact O-N 3.09Å; Y100-S104 PolarHBondContact O-OG 3.26Å; Y100-S104 VanDerWaalsContact O-OG 3.06Å; S104-S106 VanDerWaalsContact C-N 3.3Å; S104-S106 PolarHBondContact O-N 3.19Å; S104-C107 WeakPolarHBondContact O-CB 3.32Å; S104-C107 PolarHBondContact O-N 2.91Å; S104-C107 VanDerWaalsContact O-N 3.11Å; S104-H108 PolarHBondContact O-CD2 3.17Å; S104-A400 VanDerWaalsContact CB-CB 3.42Å
105	Y	85.7	Confident	88	Confident	15 Å²	15	14.2 Å²	14.2	6%	0.059	7%	0.072	C	C	.	.	H	α-helix	trans	-67.7	-31.4	177.2	-157.4	-91.8	0	0	0	113.2	C107 H108 S109 N154 F393 N396	Y105-C107 PolarHBondContact O-N 2.81Å; Y105-H108 PolarHBondContact O-N 2.72Å; Y105-S109 PolarHBondContact O-N 2.94Å; Y105-N154 WeakPolarHBondContact CD1-OD1 3.46Å; Y105-F393 HydrophobicContact CE1-CD1 4.24Å; Y105-F393 AromaticContact CE1-CE1 3.91Å; Y105-F393 HydrophobicContact CE1-CE1 3.91Å; Y105-F393 WeakPolarHBondContact OH-CD1 3.3Å; Y105-N396 WeakPolarHBondContact CE2-ND2 3.41Å; Y105-N396 WeakPolarHBondContact CE2-O 3.27Å
106	S	89.9	Confident	87.6	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-58.3	-31.4	173.7	-61	0	0	0	0	111.7	A102 A103 S104 H108 M110 N154	A102-S106 WeakPolarHBondContact O-CB 3.36Å; A102-S106 PolarHBondContact O-N 3.23Å; A102-S106 PolarHBondContact O-OG 2.97Å; A103-S106 WeakPolarHBondContact O-CB 3.21Å; A103-S106 PolarHBondContact O-N 3.02Å; S104-S106 VanDerWaalsContact C-N 3.3Å; S104-S106 PolarHBondContact O-N 3.19Å; S106-H108 PolarHBondContact O-N 3.25Å; S106-M110 VanDerWaalsContact O-CB 3.3Å; S106-M110 WeakPolarHBondContact O-CB 3.49Å; S106-M110 WeakPolarHBondContact O-CG 3.36Å; S106-M110 PolarHBondContact O-N 3.13Å; S106-N154 VanDerWaalsContact CA-ND2 3.29Å; S106-N154 WeakPolarHBondContact CA-ND2 3.3Å; S106-N154 PolarHBondContact N-ND2 3.27Å; S106-N154 PolarHBondContact OG-ND2 3.45Å
107	C	87.8	Confident	87.4	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-28.2	176.3	-62.4	0	0	0	0	112.7	T76 N81 A103 S104 Y105 N111 I117 N118	T76-C107 HydrophobicContact CG2-CB 4.32Å; N81-C107 HydrophobicContact CB-CB 4.08Å; A103-C107 PolarHBondContact O-N 3.48Å; A103-C107 PolarHBondContact O-SG 2.93Å; S104-C107 WeakPolarHBondContact O-CB 3.32Å; S104-C107 PolarHBondContact O-N 2.91Å; S104-C107 VanDerWaalsContact O-N 3.11Å; Y105-C107 PolarHBondContact O-N 2.81Å; C107-N111 WeakPolarHBondContact O-CB 3.43Å; C107-I117 HydrophobicContact CB-CG2 4.35Å; C107-N118 HydrophobicContact CB-CB 4.21Å; C107-N118 VanDerWaalsContact O-CB 3.28Å; C107-N118 WeakPolarHBondContact O-CB 3.34Å
108	H	87.9	Confident	87.2	Confident	5 Å²	5	11.5 Å²	11.5	2%	0.023	6%	0.062	C	C	.	.	H	α-helix	trans	-93.4	-50.4	-177.6	-62.7	-87.5	0	0	0	112.6	S104 Y105 S106 M110 N111 E121 Y146 N396 A399	S104-H108 PolarHBondContact O-CD2 3.17Å; Y105-H108 PolarHBondContact O-N 2.72Å; S106-H108 PolarHBondContact O-N 3.25Å; H108-M110 PolarHBondContact O-N 3.36Å; H108-M110 VanDerWaalsContact O-N 3.14Å; H108-N111 VanDerWaalsContact O-CB 3.27Å; H108-N111 WeakPolarHBondContact O-CB 3.3Å; H108-N111 PolarHBondContact O-N 3.37Å; H108-E121 IonicContact CE1-OE1 3.4Å; H108-E121 IonicContact CE1-OE2 3.14Å; H108-E121 PolarHBondContact CE1-OE2 3.18Å; H108-E121 IonicContact ND1-OE2 2.76Å; H108-E121 IonicContact NE2-OE2 2.68Å; H108-E121 PolarHBondContact NE2-OE2 3.31Å; H108-Y146 WeakPolarHBondContact O-CE1 3.32Å; H108-N396 WeakPolarHBondContact CB-ND2 3.13Å; H108-N396 VanDerWaalsContact CB-OD1 3.22Å; H108-N396 WeakPolarHBondContact CB-OD1 3.41Å; H108-N396 PolarHBondContact ND1-OD1 2.89Å; H108-A399 WeakPolarHBondContact CE1-CB 3.36Å; H108-A399 WeakPolarHBondContact NE2-CB 3.4Å
109	S	90.1	Very high	86.2	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-23.4	-177.1	60.8	0	0	0	0	113.1	Y105 Y146 L147 N154	Y105-S109 PolarHBondContact O-N 2.94Å; S109-Y146 CarbonylContact O-C 3.41Å; S109-L147 WeakPolarHBondContact O-CA 3.06Å; S109-L147 PolarHBondContact O-N 2.95Å; S109-N154 PolarHBondContact OG-ND2 2.9Å
110	M	91.4	Very high	85.2	Confident	11 Å²	11	13.7 Å²	13.7	5%	0.054	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-17.5	176.3	-58.5	179.9	69.4	0	0	113.3	T76 F77 S106 H108 G112 L113 F114 I117 L147	T76-M110 HydrophobicContact CG2-SD 3.91Å; F77-M110 HydrophobicContact CB-CE 3.97Å; S106-M110 VanDerWaalsContact O-CB 3.3Å; S106-M110 WeakPolarHBondContact O-CB 3.49Å; S106-M110 WeakPolarHBondContact O-CG 3.36Å; S106-M110 PolarHBondContact O-N 3.13Å; H108-M110 PolarHBondContact O-N 3.36Å; H108-M110 VanDerWaalsContact O-N 3.14Å; M110-G112 VanDerWaalsContact C-N 3.31Å; M110-G112 PolarHBondContact O-N 3.04Å; M110-L113 PolarHBondContact O-N 3.39Å; M110-F114 HydrophobicContact CB-CD2 4.38Å; M110-F114 HydrophobicContact CE-CD2 4.23Å; M110-F114 HydrophobicContact CE-CE2 4.48Å; M110-F114 PolarHBondContact O-N 3.19Å; M110-I117 HydrophobicContact CB-CD1 3.61Å; M110-I117 HydrophobicContact CE-CD1 3.79Å; M110-I117 HydrophobicContact CG-CD1 4.5Å; M110-I117 HydrophobicContact SD-CD1 4.21Å; M110-L147 HydrophobicContact CB-CD1 4.39Å; M110-L147 HydrophobicContact CG-CD1 3.69Å
111	N	88.4	Confident	84.7	Confident	3 Å²	3	14 Å²	14	2%	0.016	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32	-166.9	-153.6	21.2	0	0	0	113.4	C107 H108 L113 F114 P115 N118 L122	C107-N111 WeakPolarHBondContact O-CB 3.43Å; H108-N111 VanDerWaalsContact O-CB 3.27Å; H108-N111 WeakPolarHBondContact O-CB 3.3Å; H108-N111 PolarHBondContact O-N 3.37Å; N111-L113 VanDerWaalsContact C-N 3.28Å; N111-L113 PolarHBondContact O-N 3.38Å; N111-F114 CarbonylContact O-C 3.18Å; N111-F114 PolarHBondContact O-N 3.02Å; N111-P115 WeakPolarHBondContact O-CA 3.49Å; N111-N118 PolarHBondContact ND2-O 3.37Å; N111-N118 PolarHBondContact OD1-N 3.34Å; N111-N118 PolarHBondContact OD1-O 3.2Å; N111-L122 VanDerWaalsContact ND2-CA 3.33Å; N111-L122 WeakPolarHBondContact ND2-CA 3.31Å; N111-L122 PolarHBondContact ND2-N 3.08Å
112	G	87	Confident	84.4	Confident	14 Å²	14	14.9 Å²	14.9	14%	0.144	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.3	179.4	0	0	0	0	0	113.7	M110	M110-G112 VanDerWaalsContact C-N 3.31Å; M110-G112 PolarHBondContact O-N 3.04Å
113	L	88.1	Confident	83.7	Confident	74 Å²	74	16.6 Å²	16.6	39%	0.387	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-29	175.9	-169.4	63.5	0	0	0	112.3	M110 N111 A143 L147	M110-L113 PolarHBondContact O-N 3.39Å; N111-L113 VanDerWaalsContact C-N 3.28Å; N111-L113 PolarHBondContact O-N 3.38Å; L113-A143 HydrophobicContact CB-CB 4.32Å; L113-A143 HydrophobicContact CD1-CB 4.46Å; L113-L147 HydrophobicContact CD2-CD2 3.94Å
114	F	89.3	Confident	83.3	Confident	59 Å²	59	16.9 Å²	16.9	26%	0.259	10%	0.095	S	C	.	.			trans	-129	77.5	-174.5	-58.8	-59.2	0	0	0	111.5	F77 M110 N111 H116 I117 L147	F77-F114 HydrophobicContact CD2-CD1 4.17Å; F77-F114 HydrophobicContact CD2-CD2 4.11Å; F77-F114 HydrophobicContact CD2-CE1 4.33Å; F77-F114 HydrophobicContact CD2-CE2 4.27Å; F77-F114 HydrophobicContact CD2-CG 4.05Å; F77-F114 HydrophobicContact CD2-CZ 4.37Å; F77-F114 AromaticContact CE2-CD1 3.63Å; F77-F114 HydrophobicContact CE2-CD1 3.63Å; F77-F114 HydrophobicContact CE2-CD2 4.34Å; F77-F114 AromaticContact CE2-CE1 3.63Å; F77-F114 HydrophobicContact CE2-CE1 3.63Å; F77-F114 HydrophobicContact CE2-CE2 4.34Å; F77-F114 AromaticContact CE2-CG 3.99Å; F77-F114 HydrophobicContact CE2-CG 3.99Å; F77-F114 HydrophobicContact CE2-CZ 4Å; M110-F114 HydrophobicContact CB-CD2 4.38Å; M110-F114 HydrophobicContact CE-CD2 4.23Å; M110-F114 HydrophobicContact CE-CE2 4.48Å; M110-F114 PolarHBondContact O-N 3.19Å; N111-F114 CarbonylContact O-C 3.18Å; N111-F114 PolarHBondContact O-N 3.02Å; F114-H116 PolarHBondContact O-N 3.11Å; F114-H116 VanDerWaalsContact O-N 3.08Å; F114-I117 HydrophobicContact CB-CD1 3.42Å; F114-I117 VanDerWaalsContact CB-CD1 3.42Å; F114-I117 HydrophobicContact CB-CG1 3.81Å; F114-I117 HydrophobicContact CD2-CD1 4.11Å; F114-I117 HydrophobicContact CG-CD1 4.11Å; F114-I117 WeakPolarHBondContact O-CB 3.37Å; F114-I117 WeakPolarHBondContact O-CG1 3.33Å; F114-I117 PolarHBondContact O-N 3.2Å; F114-I117 VanDerWaalsContact O-N 3.08Å; F114-L147 HydrophobicContact CE2-CD2 4.48Å
115	P	81.4	Confident	83.5	Confident	32 Å²	32	17.4 Å²	17.4	21%	0.208	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	-173.5	-26.1	36.2	0	0	0	115.6	N111 I117 L122	N111-P115 WeakPolarHBondContact O-CA 3.49Å; P115-I117 PolarHBondContact O-N 3.3Å; P115-L122 HydrophobicContact CB-CD1 3.9Å; P115-L122 HydrophobicContact CB-CD2 3.85Å; P115-L122 HydrophobicContact CB-CG 4.49Å; P115-L122 HydrophobicContact CG-CD1 4.23Å; P115-L122 HydrophobicContact CG-CD2 4.49Å
116	H	80.8	Confident	83.4	Confident	12 Å²	12	20.8 Å²	20.8	6%	0.056	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.3	176.5	65.1	-70.1	0	0	0	113.6	L34 L37 F77 C80 F114	L34-H116 HydrophobicContact CD2-CB 4.35Å; L37-H116 HydrophobicContact CB-CB 3.68Å; L37-H116 HydrophobicContact CD1-CB 3.63Å; L37-H116 HydrophobicContact CG-CB 4.22Å; F77-H116 AromaticContact CE2-CE1 3.92Å; F77-H116 PolarHBondContact O-NE2 3.05Å; F77-H116 VanDerWaalsContact O-NE2 3.13Å; C80-H116 PolarHBondContact SG-O 3.4Å; F114-H116 PolarHBondContact O-N 3.11Å; F114-H116 VanDerWaalsContact O-N 3.08Å
117	I	85.4	Confident	83.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-66.7	-45.2	-177.3	-69.1	-178.8	0	0	0	110.4	T76 F77 C80 N81 C107 M110 F114 P115	T76-I117 HydrophobicContact CG2-CD1 4.31Å; T76-I117 HydrophobicContact CG2-CG2 3.23Å; F77-I117 HydrophobicContact CB-CD1 4.45Å; F77-I117 HydrophobicContact CD2-CD1 4.29Å; C80-I117 WeakPolarHBondContact CA-O 3.23Å; C80-I117 WeakPolarHBondContact CB-O 3.49Å; N81-I117 PolarHBondContact N-O 2.89Å; C107-I117 HydrophobicContact CB-CG2 4.35Å; M110-I117 HydrophobicContact CB-CD1 3.61Å; M110-I117 HydrophobicContact CE-CD1 3.79Å; M110-I117 HydrophobicContact CG-CD1 4.5Å; M110-I117 HydrophobicContact SD-CD1 4.21Å; F114-I117 HydrophobicContact CB-CD1 3.42Å; F114-I117 VanDerWaalsContact CB-CD1 3.42Å; F114-I117 HydrophobicContact CB-CG1 3.81Å; F114-I117 HydrophobicContact CD2-CD1 4.11Å; F114-I117 HydrophobicContact CG-CD1 4.11Å; F114-I117 WeakPolarHBondContact O-CB 3.37Å; F114-I117 WeakPolarHBondContact O-CG1 3.33Å; F114-I117 PolarHBondContact O-N 3.2Å; F114-I117 VanDerWaalsContact O-N 3.08Å; P115-I117 PolarHBondContact O-N 3.3Å
118	N	81.8	Confident	83.2	Confident	6 Å²	6	21 Å²	21	3%	0.032	12%	0.117	C	C	.	.			trans	-144.1	66.8	-176.4	-166.3	9.2	0	0	0	111.9	N81 C107 N111 G120 E121 L122	N81-N118 HydrophobicContact CB-CB 4.27Å; N81-N118 PolarHBondContact ND2-OD1 3.02Å; C107-N118 HydrophobicContact CB-CB 4.21Å; C107-N118 VanDerWaalsContact O-CB 3.28Å; C107-N118 WeakPolarHBondContact O-CB 3.34Å; N111-N118 PolarHBondContact ND2-O 3.37Å; N111-N118 PolarHBondContact OD1-N 3.34Å; N111-N118 PolarHBondContact OD1-O 3.2Å; N118-G120 VanDerWaalsContact C-N 3.27Å; N118-G120 PolarHBondContact O-N 2.63Å; N118-E121 PolarHBondContact ND2-OE2 2.59Å; N118-E121 PolarHBondContact O-N 2.86Å; N118-E121 PolarHBondContact OD1-OE2 3.47Å; N118-L122 PolarHBondContact O-N 3.22Å
119	P	68.6	Low	83.4	Confident	28 Å²	28	20.8 Å²	20.8	18%	0.182	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-60.2	-37.2	-175.3	19.1	-31.1	0	0	0	114.3	I30 L34 E121 L122	I30-P119 HydrophobicContact CD1-CB 3.91Å; L34-P119 HydrophobicContact CD1-CB 3.17Å; L34-P119 HydrophobicContact CD1-CG 3.7Å; L34-P119 HydrophobicContact CD2-CB 3.48Å; L34-P119 VanDerWaalsContact CD2-CB 3.48Å; L34-P119 HydrophobicContact CD2-CG 3.84Å; L34-P119 HydrophobicContact CG-CB 3.88Å; L34-P119 HydrophobicContact CG-CG 4.36Å; P119-E121 PolarHBondContact O-N 3.22Å; P119-E121 VanDerWaalsContact O-N 3.09Å; P119-L122 PolarHBondContact O-N 3.07Å
120	G	69.5	Low	83.1	Confident	19 Å²	19	23 Å²	23	20%	0.196	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.6	-17	-177.7	0	0	0	0	0	113.4	N118 F123	N118-G120 VanDerWaalsContact C-N 3.27Å; N118-G120 PolarHBondContact O-N 2.63Å; G120-F123 WeakPolarHBondContact O-CE1 3.45Å; G120-F123 WeakPolarHBondContact O-CZ 3.47Å
121	E	76	Confident	83	Confident	11 Å²	11	22.4 Å²	22.4	5%	0.051	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-129.2	16.5	-177.5	-61.1	178.9	126.3	0	0	112	H108 N118 P119 F123 V124	H108-E121 IonicContact CE1-OE1 3.4Å; H108-E121 IonicContact CE1-OE2 3.14Å; H108-E121 PolarHBondContact CE1-OE2 3.18Å; H108-E121 IonicContact ND1-OE2 2.76Å; H108-E121 IonicContact NE2-OE2 2.68Å; H108-E121 PolarHBondContact NE2-OE2 3.31Å; N118-E121 PolarHBondContact ND2-OE2 2.59Å; N118-E121 PolarHBondContact O-N 2.86Å; N118-E121 PolarHBondContact OD1-OE2 3.47Å; P119-E121 PolarHBondContact O-N 3.22Å; P119-E121 VanDerWaalsContact O-N 3.09Å; E121-F123 PolarHBondContact O-N 3.41Å; E121-V124 HydrophobicContact CB-CG2 4.45Å; E121-V124 WeakPolarHBondContact O-CB 3.42Å; E121-V124 PolarHBondContact O-N 3.47Å; E121-V124 VanDerWaalsContact O-N 3.14Å
122	L	79	Confident	83.1	Confident	18 Å²	18	22.8 Å²	22.8	9%	0.094	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-29.6	177.3	-175.4	66.5	0	0	0	112.4	I30 N111 P115 N118 P119 V124 Y125 L126	I30-L122 HydrophobicContact CD1-CB 3.96Å; I30-L122 HydrophobicContact CD1-CD2 3.45Å; I30-L122 VanDerWaalsContact CD1-CD2 3.45Å; I30-L122 HydrophobicContact CD1-CG 4.35Å; I30-L122 HydrophobicContact CG1-CD2 4.28Å; N111-L122 VanDerWaalsContact ND2-CA 3.33Å; N111-L122 WeakPolarHBondContact ND2-CA 3.31Å; N111-L122 PolarHBondContact ND2-N 3.08Å; P115-L122 HydrophobicContact CB-CD1 3.9Å; P115-L122 HydrophobicContact CB-CD2 3.85Å; P115-L122 HydrophobicContact CB-CG 4.49Å; P115-L122 HydrophobicContact CG-CD1 4.23Å; P115-L122 HydrophobicContact CG-CD2 4.49Å; N118-L122 PolarHBondContact O-N 3.22Å; P119-L122 PolarHBondContact O-N 3.07Å; L122-V124 PolarHBondContact O-N 3.11Å; L122-Y125 PolarHBondContact O-N 3.4Å; L122-Y125 VanDerWaalsContact O-N 3.11Å; L122-L126 HydrophobicContact CD2-CD1 3.86Å; L122-L126 HydrophobicContact CD2-CG 4.45Å; L122-L126 HydrophobicContact CG-CD1 3.86Å; L122-L126 HydrophobicContact CG-CG 4.05Å; L122-L126 PolarHBondContact O-N 3.49Å
123	F	75.5	Confident	83.2	Confident	37 Å²	37	25.7 Å²	25.7	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-24.8	177.9	54.4	-107.4	0	0	0	113.5	G120 E121 Y125 L126 G127 A364 Q368	G120-F123 WeakPolarHBondContact O-CE1 3.45Å; G120-F123 WeakPolarHBondContact O-CZ 3.47Å; E121-F123 PolarHBondContact O-N 3.41Å; F123-Y125 VanDerWaalsContact C-N 3.29Å; F123-Y125 PolarHBondContact O-N 3.4Å; F123-L126 PolarHBondContact O-N 2.99Å; F123-G127 PolarHBondContact O-N 2.96Å; F123-A364 HydrophobicContact CE2-CB 4.24Å; F123-A364 WeakPolarHBondContact CE2-O 3.32Å; F123-A364 HydrophobicContact CZ-CB 3.97Å; F123-Q368 HydrophobicContact CB-CG 4.36Å; F123-Q368 HydrophobicContact CD2-CB 3.48Å; F123-Q368 VanDerWaalsContact CD2-CB 3.48Å; F123-Q368 HydrophobicContact CD2-CG 3.52Å; F123-Q368 HydrophobicContact CE2-CB 3.64Å; F123-Q368 HydrophobicContact CE2-CG 4.11Å; F123-Q368 HydrophobicContact CG-CB 4.5Å; F123-Q368 HydrophobicContact CG-CG 4.1Å
124	V	80.8	Confident	83.2	Confident	6 Å²	6	26.7 Å²	26.7	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-42.6	176.3	178.9	0	0	0	0	109.6	E121 L122 A367 I395	E121-V124 HydrophobicContact CB-CG2 4.45Å; E121-V124 WeakPolarHBondContact O-CB 3.42Å; E121-V124 PolarHBondContact O-N 3.47Å; E121-V124 VanDerWaalsContact O-N 3.14Å; L122-V124 PolarHBondContact O-N 3.11Å; V124-A367 HydrophobicContact CG1-CB 4.04Å; V124-A367 HydrophobicContact CG2-CB 3.93Å; V124-I395 HydrophobicContact CG1-CD1 3.57Å; V124-I395 HydrophobicContact CG1-CG1 3.87Å
125	Y	88.4	Confident	83.2	Confident	13 Å²	13	26.8 Å²	26.8	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-48.6	173.8	172.9	-98.9	0	0	0	112	L122 F123 G127 I128 A129 L142 Y146 L392	L122-Y125 PolarHBondContact O-N 3.4Å; L122-Y125 VanDerWaalsContact O-N 3.11Å; F123-Y125 VanDerWaalsContact C-N 3.29Å; F123-Y125 PolarHBondContact O-N 3.4Å; Y125-G127 VanDerWaalsContact C-N 3.29Å; Y125-G127 PolarHBondContact O-N 2.88Å; Y125-I128 PolarHBondContact O-N 3.25Å; Y125-A129 HydrophobicContact CD1-CB 4.38Å; Y125-A129 HydrophobicContact CE1-CB 4Å; Y125-A129 VanDerWaalsContact O-CB 3.28Å; Y125-A129 WeakPolarHBondContact O-CB 3.19Å; Y125-A129 PolarHBondContact O-N 3.47Å; Y125-L142 HydrophobicContact CE2-CD2 3.97Å; Y125-L142 HydrophobicContact CE2-CG 4.12Å; Y125-Y146 HydrophobicContact CD2-CD1 4.25Å; Y125-L392 HydrophobicContact CD2-CD1 4.03Å; Y125-L392 HydrophobicContact CD2-CD2 4.09Å; Y125-L392 HydrophobicContact CE2-CD1 4.31Å
126	L	84.1	Confident	83.5	Confident	86 Å²	86	32.5 Å²	32.5	45%	0.45	19%	0.187	S	C	.	.	H	α-helix	trans	-64.6	-32.3	-176.7	-67.9	175.1	0	0	0	113.1	L122 F123 I128 A129 S130	L122-L126 HydrophobicContact CD2-CD1 3.86Å; L122-L126 HydrophobicContact CD2-CG 4.45Å; L122-L126 HydrophobicContact CG-CD1 3.86Å; L122-L126 HydrophobicContact CG-CG 4.05Å; L122-L126 PolarHBondContact O-N 3.49Å; F123-L126 PolarHBondContact O-N 2.99Å; L126-I128 PolarHBondContact O-N 3.21Å; L126-A129 PolarHBondContact O-N 2.81Å; L126-S130 WeakPolarHBondContact O-CB 3.2Å; L126-S130 PolarHBondContact O-N 3.01Å
127	G	84.5	Confident	84.1	Confident	5 Å²	5	35.3 Å²	35.3	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-54.3	-52.6	177.3	0	0	0	0	0	111.2	F123 Y125 S130 G371 G375	F123-G127 PolarHBondContact O-N 2.96Å; Y125-G127 VanDerWaalsContact C-N 3.29Å; Y125-G127 PolarHBondContact O-N 2.88Å; G127-S130 PolarHBondContact O-OG 3.16Å; G127-G371 CarbonylContact C-O 3.42Å; G127-G375 WeakPolarHBondContact O-CA 3.47Å
128	I	89.8	Confident	84.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-73.1	-43.4	177.4	-65.2	175.8	0	0	0	111.1	Y125 L126 S130 G131 G371 I374 I378 A388 A391 L392 I395	Y125-I128 PolarHBondContact O-N 3.25Å; L126-I128 PolarHBondContact O-N 3.21Å; I128-S130 PolarHBondContact O-N 3.44Å; I128-G131 PolarHBondContact O-N 3.33Å; I128-G131 VanDerWaalsContact O-N 3.08Å; I128-G371 WeakPolarHBondContact CG1-O 3.44Å; I128-G371 PolarHBondContact N-O 2.88Å; I128-I374 HydrophobicContact CG1-CB 4.34Å; I128-I374 HydrophobicContact CG1-CG2 4.2Å; I128-I378 HydrophobicContact CG2-CD1 4.05Å; I128-A388 HydrophobicContact CG2-CB 3.65Å; I128-A391 HydrophobicContact CD1-CB 3.64Å; I128-L392 HydrophobicContact CB-CD2 4.34Å; I128-L392 HydrophobicContact CD1-CB 4.46Å; I128-L392 HydrophobicContact CD1-CD2 3.83Å; I128-L392 HydrophobicContact CD1-CG 3.89Å; I128-I395 HydrophobicContact CD1-CD1 3.53Å; I128-I395 HydrophobicContact CD1-CG1 4.36Å; I128-I395 HydrophobicContact CG1-CD1 4.24Å
129	A	90.8	Very high	84.7	Confident	1 Å²	1	42 Å²	42	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-30.1	-177.8	0	0	0	0	0	112.7	Y125 L126 G131 L132 T133 L139 L142	Y125-A129 HydrophobicContact CD1-CB 4.38Å; Y125-A129 HydrophobicContact CE1-CB 4Å; Y125-A129 VanDerWaalsContact O-CB 3.28Å; Y125-A129 WeakPolarHBondContact O-CB 3.19Å; Y125-A129 PolarHBondContact O-N 3.47Å; L126-A129 PolarHBondContact O-N 2.81Å; A129-G131 PolarHBondContact O-N 2.92Å; A129-L132 WeakPolarHBondContact O-CB 3.23Å; A129-L132 PolarHBondContact O-N 3.04Å; A129-L132 VanDerWaalsContact O-N 3.1Å; A129-T133 PolarHBondContact O-N 2.63Å; A129-T133 VanDerWaalsContact O-N 3.14Å; A129-T133 PolarHBondContact O-OG1 3.28Å; A129-L139 HydrophobicContact CB-CD1 4.42Å; A129-L139 HydrophobicContact CB-CD2 3.98Å; A129-L139 WeakPolarHBondContact O-CD2 3.35Å; A129-L142 HydrophobicContact CB-CD2 4.38Å
130	S	85.1	Confident	85.6	Confident	47 Å²	47	42.7 Å²	42.7	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-57	-33.2	175.7	74.9	0	0	0	0	113.2	L126 G127 I128 T133 T134	L126-S130 WeakPolarHBondContact O-CB 3.2Å; L126-S130 PolarHBondContact O-N 3.01Å; G127-S130 PolarHBondContact O-OG 3.16Å; I128-S130 PolarHBondContact O-N 3.44Å; S130-T133 WeakPolarHBondContact O-CB 3.41Å; S130-T133 PolarHBondContact O-N 3.26Å; S130-T134 PolarHBondContact O-N 3.47Å; S130-T134 PolarHBondContact O-OG1 2.97Å; S130-T134 VanDerWaalsContact O-OG1 3.05Å
131	G	88.4	Confident	86.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-40.4	175.9	0	0	0	0	0	113.1	I128 A129 T134 L135 G375	I128-G131 PolarHBondContact O-N 3.33Å; I128-G131 VanDerWaalsContact O-N 3.08Å; A129-G131 PolarHBondContact O-N 2.92Å; G131-T134 PolarHBondContact O-N 3.44Å; G131-L135 PolarHBondContact O-N 2.78Å; G131-G375 WeakPolarHBondContact CA-O 3.33Å
132	L	91.9	Very high	87.5	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-40.2	174.9	-62.1	-176.1	0	0	0	111.4	A129 T134 L135 N136 L137 L139 L142 I378 P385 A388	A129-L132 WeakPolarHBondContact O-CB 3.23Å; A129-L132 PolarHBondContact O-N 3.04Å; A129-L132 VanDerWaalsContact O-N 3.1Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 2.95Å; L132-L135 CarbonylContact O-C 3.46Å; L132-L135 PolarHBondContact O-N 2.91Å; L132-L135 VanDerWaalsContact O-N 3.13Å; L132-N136 PolarHBondContact O-N 2.84Å; L132-L137 HydrophobicContact CB-CB 4.18Å; L132-L137 HydrophobicContact CD2-CD1 3.91Å; L132-L137 PolarHBondContact O-N 3.39Å; L132-L139 HydrophobicContact CB-CD2 3.81Å; L132-L139 HydrophobicContact CD1-CD2 4.29Å; L132-L142 HydrophobicContact CD1-CB 4.05Å; L132-L142 HydrophobicContact CD1-CD2 3.63Å; L132-L142 HydrophobicContact CD1-CG 4.34Å; L132-I378 HydrophobicContact CD2-CG2 4.08Å; L132-P385 HydrophobicContact CD2-CB 3.62Å; L132-A388 HydrophobicContact CD1-CB 4.33Å
133	T	88.6	Confident	88.1	Confident	76 Å²	76	45 Å²	45	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.5	-53.5	0	0	0	0	111.5	A129 S130 L135 N136	A129-T133 PolarHBondContact O-N 2.63Å; A129-T133 VanDerWaalsContact O-N 3.14Å; A129-T133 PolarHBondContact O-OG1 3.28Å; S130-T133 WeakPolarHBondContact O-CB 3.41Å; S130-T133 PolarHBondContact O-N 3.26Å; T133-L135 PolarHBondContact O-N 3.27Å; T133-N136 WeakPolarHBondContact O-CA 3.32Å; T133-N136 PolarHBondContact O-N 2.99Å
134	T	87.5	Confident	89	Confident	94 Å²	94	46.2 Å²	46.2	58%	0.577	28%	0.278	S	S	*	.	H	α-helix	trans	-59.1	-34.3	175.4	-59.6	0	0	0	0	112.1	S130 G131 L132 N136	S130-T134 PolarHBondContact O-N 3.47Å; S130-T134 PolarHBondContact O-OG1 2.97Å; S130-T134 VanDerWaalsContact O-OG1 3.05Å; G131-T134 PolarHBondContact O-N 3.44Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 2.95Å; T134-N136 VanDerWaalsContact C-N 3.27Å; T134-N136 PolarHBondContact O-N 3.41Å
135	L	90	Very high	89.5	Confident	62 Å²	62	48.2 Å²	48.2	33%	0.325	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	7.6	174.8	-62.8	178.9	0	0	0	113.9	G131 L132 T133 L137 I378 G379 P385	G131-L135 PolarHBondContact O-N 2.78Å; L132-L135 CarbonylContact O-C 3.46Å; L132-L135 PolarHBondContact O-N 2.91Å; L132-L135 VanDerWaalsContact O-N 3.13Å; T133-L135 PolarHBondContact O-N 3.27Å; L135-L137 HydrophobicContact CB-CD1 4.06Å; L135-L137 HydrophobicContact CB-CG 4.01Å; L135-L137 HydrophobicContact CD1-CD1 4.19Å; L135-L137 PolarHBondContact O-N 3.49Å; L135-I378 HydrophobicContact CD1-CG2 4.04Å; L135-I378 WeakPolarHBondContact CD1-O 3.28Å; L135-G379 WeakPolarHBondContact CD2-O 3.39Å; L135-P385 HydrophobicContact CD1-CG 3.52Å
136	N	88.3	Confident	89.8	Confident	152 Å²	152	47.8 Å²	47.8	81%	0.813	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.8	-173.5	-63.8	-58.6	0	0	0	114.1	L132 T133 T134	L132-N136 PolarHBondContact O-N 2.84Å; T133-N136 WeakPolarHBondContact O-CA 3.32Å; T133-N136 PolarHBondContact O-N 2.99Å; T134-N136 VanDerWaalsContact C-N 3.27Å; T134-N136 PolarHBondContact O-N 3.41Å
137	L	92.4	Very high	90.2	Very high	70 Å²	70	45 Å²	45	37%	0.366	28%	0.276	S	S	.	.			trans	-89.7	144.2	177.3	-65.7	174.6	0	0	0	111.4	L132 L135 P385	L132-L137 HydrophobicContact CB-CB 4.18Å; L132-L137 HydrophobicContact CD2-CD1 3.91Å; L132-L137 PolarHBondContact O-N 3.39Å; L135-L137 HydrophobicContact CB-CD1 4.06Å; L135-L137 HydrophobicContact CB-CG 4.01Å; L135-L137 HydrophobicContact CD1-CD1 4.19Å; L135-L137 PolarHBondContact O-N 3.49Å; L137-P385 HydrophobicContact CD1-CB 3.63Å; L137-P385 HydrophobicContact CD1-CG 3.74Å
138	P	89.2	Confident	90.7	Very high	90 Å²	90	49.5 Å²	49.5	58%	0.584	30%	0.299	S	S	*	.			trans	-69.3	137	178.4	28.5	-34.2	0	0	0	111.4	P141	P138-P141 HydrophobicContact CG-CG 4.38Å; P138-P141 WeakPolarHBondContact O-CD 3.49Å
139	L	89.9	Confident	90.7	Very high	57 Å²	57	52.4 Å²	52.4	30%	0.298	32%	0.316	S	S	.	.	S	Bend	trans	-80.1	-21	179.2	-58.8	-176.5	0	0	0	113.8	A129 L132 L142 A143	A129-L139 HydrophobicContact CB-CD1 4.42Å; A129-L139 HydrophobicContact CB-CD2 3.98Å; A129-L139 WeakPolarHBondContact O-CD2 3.35Å; L132-L139 HydrophobicContact CB-CD2 3.81Å; L132-L139 HydrophobicContact CD1-CD2 4.29Å; L139-L142 WeakPolarHBondContact O-CB 3.17Å; L139-L142 PolarHBondContact O-N 3.1Å; L139-L142 VanDerWaalsContact O-N 3.12Å; L139-A143 PolarHBondContact O-N 3.42Å; L139-A143 VanDerWaalsContact O-N 3.09Å
140	G	88.5	Confident	90.7	Very high	42 Å²	42	52.3 Å²	52.3	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-53.2	-49.4	-176.6	0	0	0	0	0	114.3	L142 A143 V144	G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.13Å; G140-A143 PolarHBondContact O-N 3.38Å; G140-V144 WeakPolarHBondContact O-CG2 3.4Å; G140-V144 PolarHBondContact O-N 2.94Å
141	P	91.4	Very high	90.9	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-37.7	177.1	-27.3	36	0	0	0	114	P138 S145	P138-P141 HydrophobicContact CG-CG 4.38Å; P138-P141 WeakPolarHBondContact O-CD 3.49Å; P141-S145 VanDerWaalsContact O-CB 3.27Å; P141-S145 WeakPolarHBondContact O-CB 3.47Å; P141-S145 PolarHBondContact O-N 3.24Å; P141-S145 PolarHBondContact O-OG 2.71Å
142	L	93.1	Very high	91	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-50	177.5	-180	65.5	0	0	0	110.7	Y125 A129 L132 L139 G140 V144 S145 Y146 A388 L389 L392	Y125-L142 HydrophobicContact CE2-CD2 3.97Å; Y125-L142 HydrophobicContact CE2-CG 4.12Å; A129-L142 HydrophobicContact CB-CD2 4.38Å; L132-L142 HydrophobicContact CD1-CB 4.05Å; L132-L142 HydrophobicContact CD1-CD2 3.63Å; L132-L142 HydrophobicContact CD1-CG 4.34Å; L139-L142 WeakPolarHBondContact O-CB 3.17Å; L139-L142 PolarHBondContact O-N 3.1Å; L139-L142 VanDerWaalsContact O-N 3.12Å; G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.13Å; L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 3.45Å; L142-S145 PolarHBondContact O-N 3.23Å; L142-Y146 WeakPolarHBondContact O-CB 3.34Å; L142-Y146 PolarHBondContact O-N 3.28Å; L142-A388 HydrophobicContact CD1-CB 3.89Å; L142-A388 HydrophobicContact CD2-CB 4.22Å; L142-L389 HydrophobicContact CD1-CB 3.99Å; L142-L389 HydrophobicContact CD1-CD1 4.47Å; L142-L392 HydrophobicContact CD1-CD1 3.82Å; L142-L392 HydrophobicContact CD2-CD1 4.15Å; L142-L392 HydrophobicContact CG-CD1 4.04Å
143	A	92.4	Very high	90.7	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-44.8	179.1	0	0	0	0	0	112.2	L113 L139 G140 Y146 L147	L113-A143 HydrophobicContact CB-CB 4.32Å; L113-A143 HydrophobicContact CD1-CB 4.46Å; L139-A143 PolarHBondContact O-N 3.42Å; L139-A143 VanDerWaalsContact O-N 3.09Å; G140-A143 PolarHBondContact O-N 3.38Å; A143-Y146 PolarHBondContact O-N 3.02Å; A143-L147 PolarHBondContact O-N 2.88Å; A143-L147 VanDerWaalsContact O-N 3.1Å
144	V	93.6	Very high	90.5	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-42.4	178.9	173.9	0	0	0	0	111.3	G140 L142 Y146 L147 L148	G140-V144 WeakPolarHBondContact O-CG2 3.4Å; G140-V144 PolarHBondContact O-N 2.94Å; L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 3.45Å; V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 PolarHBondContact O-N 3.17Å; V144-L147 PolarHBondContact O-N 3.38Å; V144-L148 HydrophobicContact CG1-CD1 3.88Å; V144-L148 HydrophobicContact CG1-CG 4.26Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.04Å
145	S	92.6	Very high	90.5	Very high	47 Å²	47	52.2 Å²	52.2	33%	0.329	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-39	178	-56.5	0	0	0	0	111.6	P141 L142 L147 L148 V149	P141-S145 VanDerWaalsContact O-CB 3.27Å; P141-S145 WeakPolarHBondContact O-CB 3.47Å; P141-S145 PolarHBondContact O-N 3.24Å; P141-S145 PolarHBondContact O-OG 2.71Å; L142-S145 PolarHBondContact O-N 3.23Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 3.01Å; S145-L148 PolarHBondContact O-N 3.11Å; S145-V149 WeakPolarHBondContact O-CB 3.45Å; S145-V149 WeakPolarHBondContact O-CG2 3.27Å; S145-V149 PolarHBondContact O-N 3.17Å
146	Y	93.7	Very high	90.3	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-42	177.6	-169	-148.8	0	0	0	111.7	H108 S109 Y125 L142 A143 V144 G150 L389 L392 F393 N396	H108-Y146 WeakPolarHBondContact O-CE1 3.32Å; S109-Y146 CarbonylContact O-C 3.41Å; Y125-Y146 HydrophobicContact CD2-CD1 4.25Å; L142-Y146 WeakPolarHBondContact O-CB 3.34Å; L142-Y146 PolarHBondContact O-N 3.28Å; A143-Y146 PolarHBondContact O-N 3.02Å; V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 PolarHBondContact O-N 3.17Å; Y146-G150 PolarHBondContact O-N 3.06Å; Y146-L389 HydrophobicContact CD2-CD1 4.22Å; Y146-L392 HydrophobicContact CD1-CD1 4Å; Y146-L392 HydrophobicContact CD2-CB 4.22Å; Y146-L392 HydrophobicContact CD2-CD1 4.27Å; Y146-L392 HydrophobicContact CE1-CD1 4.33Å; Y146-L392 HydrophobicContact CE1-CD2 4.44Å; Y146-L392 HydrophobicContact CE2-CB 3.92Å; Y146-L392 HydrophobicContact CG-CD1 3.96Å; Y146-F393 HydrophobicContact CD2-CD2 4.25Å; Y146-F393 AromaticContact CD2-CE2 3.63Å; Y146-F393 HydrophobicContact CD2-CE2 3.63Å; Y146-F393 AromaticContact CD2-CZ 3.75Å; Y146-F393 HydrophobicContact CD2-CZ 3.75Å; Y146-F393 HydrophobicContact CE2-CD2 4.3Å; Y146-F393 HydrophobicContact CE2-CE1 4.31Å; Y146-F393 HydrophobicContact CE2-CE2 4Å; Y146-F393 AromaticContact CE2-CZ 3.96Å; Y146-F393 HydrophobicContact CE2-CZ 3.96Å; Y146-N396 PolarHBondContact OH-ND2 2.9Å
147	L	93.6	Very high	89.9	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-57.2	171.3	174.2	64.1	0	0	0	111.6	S109 M110 L113 F114 A143 V144 S145 V149 G150 L151	S109-L147 WeakPolarHBondContact O-CA 3.06Å; S109-L147 PolarHBondContact O-N 2.95Å; M110-L147 HydrophobicContact CB-CD1 4.39Å; M110-L147 HydrophobicContact CG-CD1 3.69Å; L113-L147 HydrophobicContact CD2-CD2 3.94Å; F114-L147 HydrophobicContact CE2-CD2 4.48Å; A143-L147 PolarHBondContact O-N 2.88Å; A143-L147 VanDerWaalsContact O-N 3.1Å; V144-L147 PolarHBondContact O-N 3.38Å; S145-L147 VanDerWaalsContact C-N 3.34Å; S145-L147 PolarHBondContact O-N 3.01Å; L147-V149 PolarHBondContact O-N 2.83Å; L147-G150 WeakPolarHBondContact O-CA 3.06Å; L147-G150 PolarHBondContact O-N 3.47Å; L147-G150 VanDerWaalsContact O-N 3.15Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 4.25Å; L147-L151 HydrophobicContact CG-CD1 4.49Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.28Å
148	L	93	Very high	89.5	Confident	101 Å²	101	47.5 Å²	47.5	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-43.5	-172.3	-70.7	176.9	0	0	0	113	V144 S145 G150 L151	V144-L148 HydrophobicContact CG1-CD1 3.88Å; V144-L148 HydrophobicContact CG1-CG 4.26Å; V144-L148 WeakPolarHBondContact O-CG 3.45Å; V144-L148 PolarHBondContact O-N 3.04Å; S145-L148 PolarHBondContact O-N 3.11Å; L148-G150 VanDerWaalsContact C-N 3.34Å; L148-L151 HydrophobicContact CD2-CD1 4.44Å
149	V	91.4	Very high	89.2	Confident	60 Å²	60	49.5 Å²	49.5	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-67.2	-41.2	175.6	178.3	0	0	0	0	109.8	S145 L147 L151 V152 T153 L389 F393	S145-V149 WeakPolarHBondContact O-CB 3.45Å; S145-V149 WeakPolarHBondContact O-CG2 3.27Å; S145-V149 PolarHBondContact O-N 3.17Å; L147-V149 PolarHBondContact O-N 2.83Å; V149-L151 PolarHBondContact O-N 2.87Å; V149-V152 PolarHBondContact O-N 3.49Å; V149-V152 VanDerWaalsContact O-N 3.13Å; V149-T153 HydrophobicContact CG1-CG2 4.11Å; V149-T153 WeakPolarHBondContact O-CG2 3.47Å; V149-T153 PolarHBondContact O-N 3.28Å; V149-T153 PolarHBondContact O-OG1 2.82Å; V149-L389 HydrophobicContact CG2-CD2 4.25Å; V149-F393 HydrophobicContact CB-CE2 3.86Å; V149-F393 HydrophobicContact CB-CZ 3.63Å; V149-F393 HydrophobicContact CG1-CE1 4.03Å; V149-F393 HydrophobicContact CG1-CE2 3.63Å; V149-F393 HydrophobicContact CG1-CZ 3.36Å
150	G	89.7	Confident	88.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.7	-45.4	176	0	0	0	0	0	113.6	Y146 L147 L148 V152 T153 N154	Y146-G150 PolarHBondContact O-N 3.06Å; L147-G150 WeakPolarHBondContact O-CA 3.06Å; L147-G150 PolarHBondContact O-N 3.47Å; L147-G150 VanDerWaalsContact O-N 3.15Å; L148-G150 VanDerWaalsContact C-N 3.34Å; G150-V152 VanDerWaalsContact C-N 3.26Å; G150-V152 PolarHBondContact O-N 3.36Å; G150-T153 VanDerWaalsContact CA-OG1 3.28Å; G150-T153 WeakPolarHBondContact CA-OG1 3.48Å; G150-T153 PolarHBondContact O-N 3.38Å; G150-T153 PolarHBondContact O-OG1 3.42Å; G150-N154 VanDerWaalsContact O-CB 3.26Å; G150-N154 WeakPolarHBondContact O-CB 3.33Å; G150-N154 PolarHBondContact O-N 3.36Å; G150-N154 PolarHBondContact O-ND2 2.87Å; G150-N154 PolarHBondContact O-OD1 3.39Å; G150-N154 VanDerWaalsContact O-OD1 3.04Å
151	L	90.6	Very high	88.3	Confident	45 Å²	45	49.3 Å²	49.3	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-53.7	-44	176.1	-69.1	178.8	0	0	0	112.1	L69 C73 L147 L148 V149 F155	L69-L151 HydrophobicContact CD1-CB 3.97Å; L69-L151 HydrophobicContact CD1-CD2 4.14Å; L69-L151 WeakPolarHBondContact CD1-O 3.49Å; C73-L151 HydrophobicContact CB-CD2 4.31Å; C73-L151 WeakPolarHBondContact SG-CD2 3.16Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 4.25Å; L147-L151 HydrophobicContact CG-CD1 4.49Å; L147-L151 WeakPolarHBondContact O-CG 3.48Å; L147-L151 PolarHBondContact O-N 3.28Å; L148-L151 HydrophobicContact CD2-CD1 4.44Å; V149-L151 PolarHBondContact O-N 2.87Å; L151-F155 PolarHBondContact O-N 3.13Å
152	V	89.7	Confident	87.9	Confident	85 Å²	85	47 Å²	47	52%	0.515	24%	0.244	S	C	.	.	H	α-helix	trans	-72.4	-47.1	-179.3	178.6	0	0	0	0	110.7	V149 G150 N154 F155 F156	V149-V152 PolarHBondContact O-N 3.49Å; V149-V152 VanDerWaalsContact O-N 3.13Å; G150-V152 VanDerWaalsContact C-N 3.26Å; G150-V152 PolarHBondContact O-N 3.36Å; V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 3.25Å; V152-F155 PolarHBondContact O-N 3.25Å; V152-F156 HydrophobicContact CG1-CD2 4.01Å; V152-F156 HydrophobicContact CG1-CE2 3.85Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.36Å; V152-F156 PolarHBondContact O-N 2.98Å
153	T	85.2	Confident	87.1	Confident	51 Å²	51	51.7 Å²	51.7	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-37.5	-179.5	53	0	0	0	0	112	V149 G150 F156 R157 F393	V149-T153 HydrophobicContact CG1-CG2 4.11Å; V149-T153 WeakPolarHBondContact O-CG2 3.47Å; V149-T153 PolarHBondContact O-N 3.28Å; V149-T153 PolarHBondContact O-OG1 2.82Å; G150-T153 VanDerWaalsContact CA-OG1 3.28Å; G150-T153 WeakPolarHBondContact CA-OG1 3.48Å; G150-T153 PolarHBondContact O-N 3.38Å; G150-T153 PolarHBondContact O-OG1 3.42Å; T153-F156 PolarHBondContact O-N 3.29Å; T153-R157 WeakPolarHBondContact O-CB 3.12Å; T153-R157 PolarHBondContact O-N 3.27Å; T153-F393 HydrophobicContact CG2-CE1 4.21Å
154	N	84.4	Confident	86.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-39.3	-178.2	-63.7	-3.3	0	0	0	111.6	Y105 S106 S109 G150 V152 F156 R157 G158	Y105-N154 WeakPolarHBondContact CD1-OD1 3.46Å; S106-N154 VanDerWaalsContact CA-ND2 3.29Å; S106-N154 WeakPolarHBondContact CA-ND2 3.3Å; S106-N154 PolarHBondContact N-ND2 3.27Å; S106-N154 PolarHBondContact OG-ND2 3.45Å; S109-N154 PolarHBondContact OG-ND2 2.9Å; G150-N154 VanDerWaalsContact O-CB 3.26Å; G150-N154 WeakPolarHBondContact O-CB 3.33Å; G150-N154 PolarHBondContact O-N 3.36Å; G150-N154 PolarHBondContact O-ND2 2.87Å; G150-N154 PolarHBondContact O-OD1 3.39Å; G150-N154 VanDerWaalsContact O-OD1 3.04Å; V152-N154 VanDerWaalsContact C-N 3.3Å; V152-N154 PolarHBondContact O-N 3.25Å; N154-F156 PolarHBondContact O-N 2.94Å; N154-R157 PolarHBondContact O-N 3.13Å; N154-G158 PolarHBondContact O-N 2.98Å; N154-G158 VanDerWaalsContact O-N 3.1Å
155	F	88.6	Confident	85.4	Confident	43 Å²	43	50 Å²	50	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-47.2	174.7	175.7	-106	0	0	0	111.7	V65 L69 L151 V152 W159	V65-F155 HydrophobicContact CB-CE2 4.38Å; V65-F155 HydrophobicContact CG2-CE2 4.02Å; V65-F155 HydrophobicContact CG2-CZ 4.17Å; L69-F155 HydrophobicContact CB-CD2 4.14Å; L151-F155 PolarHBondContact O-N 3.13Å; V152-F155 PolarHBondContact O-N 3.25Å; F155-W159 AromaticContact CZ-NE1 3.81Å; F155-W159 PolarHBondContact O-N 3.21Å
156	F	84.9	Confident	84.5	Confident	123 Å²	123	49.7 Å²	49.7	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-35.4	176.6	-76.3	-68.2	0	0	0	112.8	V152 T153 N154 G158 W159 V160	V152-F156 HydrophobicContact CG1-CD2 4.01Å; V152-F156 HydrophobicContact CG1-CE2 3.85Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.36Å; V152-F156 PolarHBondContact O-N 2.98Å; T153-F156 PolarHBondContact O-N 3.29Å; N154-F156 PolarHBondContact O-N 2.94Å; F156-G158 VanDerWaalsContact C-N 3.33Å; F156-G158 PolarHBondContact O-N 2.99Å; F156-W159 WeakPolarHBondContact O-CB 3.42Å; F156-W159 PolarHBondContact O-N 3.44Å; F156-W159 VanDerWaalsContact O-N 3.13Å; F156-V160 WeakPolarHBondContact O-CG2 3.33Å; F156-V160 PolarHBondContact O-N 2.97Å
157	R	80.5	Confident	83.3	Confident	62 Å²	62	53.5 Å²	53.5	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-44.7	177.4	-168.5	172.4	-175.3	157.8	0.9	111.4	A101 T153 N154 W159 V160 T161	A101-R157 HydrophobicContact CB-CG 4.15Å; A101-R157 WeakPolarHBondContact O-CD 3.29Å; T153-R157 WeakPolarHBondContact O-CB 3.12Å; T153-R157 PolarHBondContact O-N 3.27Å; N154-R157 PolarHBondContact O-N 3.13Å; R157-W159 VanDerWaalsContact C-N 3.32Å; R157-W159 PolarHBondContact O-N 3.42Å; R157-V160 PolarHBondContact O-N 3.37Å; R157-T161 PolarHBondContact O-N 3.4Å; R157-T161 PolarHBondContact O-OG1 2.89Å
158	G	83.5	Confident	82.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-42.4	174.2	0	0	0	0	0	113.1	S98 N154 F156 T161 D162	S98-G158 WeakPolarHBondContact CB-O 3.39Å; N154-G158 PolarHBondContact O-N 2.98Å; N154-G158 VanDerWaalsContact O-N 3.1Å; F156-G158 VanDerWaalsContact C-N 3.33Å; F156-G158 PolarHBondContact O-N 2.99Å; G158-T161 PolarHBondContact O-N 3.15Å; G158-D162 PolarHBondContact O-N 2.93Å
159	W	82.5	Confident	81.3	Confident	132 Å²	132	49.8 Å²	49.8	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-46.5	175	-96.2	65.7	0	0	0	113.2	Y68 F155 F156 R157 T161 D162 L163	Y68-W159 AromaticContact CD2-CD1 3.63Å; Y68-W159 AromaticContact CE2-CD1 3.84Å; F155-W159 AromaticContact CZ-NE1 3.81Å; F155-W159 PolarHBondContact O-N 3.21Å; F156-W159 WeakPolarHBondContact O-CB 3.42Å; F156-W159 PolarHBondContact O-N 3.44Å; F156-W159 VanDerWaalsContact O-N 3.13Å; R157-W159 VanDerWaalsContact C-N 3.32Å; R157-W159 PolarHBondContact O-N 3.42Å; W159-T161 VanDerWaalsContact C-N 3.26Å; W159-T161 PolarHBondContact O-N 2.93Å; W159-D162 WeakPolarHBondContact O-CB 3.49Å; W159-D162 PolarHBondContact O-N 3.5Å; W159-L163 PolarHBondContact O-N 3Å
160	V	78.5	Confident	80.2	Confident	86 Å²	86	55.7 Å²	55.7	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-39.6	178.7	173.3	0	0	0	0	110.1	F156 R157 D162 L163 T164	F156-V160 WeakPolarHBondContact O-CG2 3.33Å; F156-V160 PolarHBondContact O-N 2.97Å; R157-V160 PolarHBondContact O-N 3.37Å; V160-D162 PolarHBondContact O-N 3.37Å; V160-L163 WeakPolarHBondContact O-CB 3.49Å; V160-L163 PolarHBondContact O-N 3.41Å; V160-T164 PolarHBondContact O-N 2.69Å; V160-T164 PolarHBondContact O-OG1 2.97Å
161	T	81.3	Confident	78.7	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-67.8	-31.3	177.3	-55.9	0	0	0	0	113.3	P97 A101 R157 G158 W159 L163 T164 T165 V425	P97-T161 HydrophobicContact CB-CG2 3.99Å; A101-T161 HydrophobicContact CB-CG2 4.25Å; A101-T161 WeakPolarHBondContact CB-OG1 3.25Å; R157-T161 PolarHBondContact O-N 3.4Å; R157-T161 PolarHBondContact O-OG1 2.89Å; G158-T161 PolarHBondContact O-N 3.15Å; W159-T161 VanDerWaalsContact C-N 3.26Å; W159-T161 PolarHBondContact O-N 2.93Å; T161-L163 VanDerWaalsContact C-N 3.3Å; T161-L163 PolarHBondContact O-N 3.47Å; T161-T164 WeakPolarHBondContact CA-OG1 3.38Å; T161-T164 PolarHBondContact O-N 3.28Å; T161-T164 PolarHBondContact O-OG1 3.32Å; T161-T164 VanDerWaalsContact O-OG1 3.05Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.47Å; T161-T165 PolarHBondContact O-N 3.27Å; T161-T165 PolarHBondContact O-OG1 3.03Å; T161-V425 HydrophobicContact CG2-CG2 3.92Å
162	D	82.6	Confident	77.5	Confident	31 Å²	31	64.4 Å²	64.4	17%	0.166	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-40.8	171.2	-79.8	-16.3	0	0	0	111.5	Y68 Y95 S98 G158 W159 V160 A166	Y68-D162 PolarHBondContact OH-OD1 3.41Å; Y68-D162 PolarHBondContact OH-OD2 3.48Å; Y95-D162 WeakPolarHBondContact CD1-OD1 3.49Å; S98-D162 WeakPolarHBondContact CB-OD1 3.43Å; S98-D162 PolarHBondContact OG-OD1 3.1Å; G158-D162 PolarHBondContact O-N 2.93Å; W159-D162 WeakPolarHBondContact O-CB 3.49Å; W159-D162 PolarHBondContact O-N 3.5Å; V160-D162 PolarHBondContact O-N 3.37Å; D162-A166 PolarHBondContact O-N 3.1Å; D162-A166 VanDerWaalsContact O-N 3.08Å
163	L	76	Confident	76.3	Confident	112 Å²	112	63.8 Å²	63.8	59%	0.586	33%	0.327	S	S	*	.	H	α-helix	trans	-67.5	-45	178.6	-63.9	173.7	0	0	0	111.3	W159 V160 T161 T165 A166 I167	W159-L163 PolarHBondContact O-N 3Å; V160-L163 WeakPolarHBondContact O-CB 3.49Å; V160-L163 PolarHBondContact O-N 3.41Å; T161-L163 VanDerWaalsContact C-N 3.3Å; T161-L163 PolarHBondContact O-N 3.47Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-A166 PolarHBondContact O-N 3.09Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.34Å; L163-I167 VanDerWaalsContact O-N 3.15Å
164	T	74	Confident	75.6	Confident	30 Å²	30	62.7 Å²	62.7	18%	0.184	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.5	58.1	0	0	0	0	111.1	V160 T161 A166 I167 F168 S424	V160-T164 PolarHBondContact O-N 2.69Å; V160-T164 PolarHBondContact O-OG1 2.97Å; T161-T164 WeakPolarHBondContact CA-OG1 3.38Å; T161-T164 PolarHBondContact O-N 3.28Å; T161-T164 PolarHBondContact O-OG1 3.32Å; T161-T164 VanDerWaalsContact O-OG1 3.05Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 2.88Å; T164-I167 WeakPolarHBondContact O-CA 3.46Å; T164-I167 WeakPolarHBondContact O-CB 3.01Å; T164-I167 PolarHBondContact O-N 2.95Å; T164-F168 WeakPolarHBondContact O-CD2 3.45Å; T164-F168 PolarHBondContact O-N 3.34Å; T164-S424 WeakPolarHBondContact CB-O 3.33Å; T164-S424 PolarHBondContact OG1-O 3.34Å
165	T	77.6	Confident	74.8	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	36%	0.356	C	S	.	.	H	α-helix	trans	-55.4	-47.7	174.7	-56.4	0	0	0	0	111.7	P97 T161 L163 I167 F168 E169 L176 V420 S424	P97-T165 HydrophobicContact CG-CG2 4.24Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.47Å; T161-T165 PolarHBondContact O-N 3.27Å; T161-T165 PolarHBondContact O-OG1 3.03Å; L163-T165 VanDerWaalsContact C-N 3.34Å; T165-I167 VanDerWaalsContact C-N 3.27Å; T165-I167 PolarHBondContact O-N 3.49Å; T165-F168 PolarHBondContact O-N 2.86Å; T165-F168 VanDerWaalsContact O-N 3.14Å; T165-E169 HydrophobicContact CG2-CG 4.47Å; T165-E169 WeakPolarHBondContact O-CG 3.41Å; T165-E169 PolarHBondContact O-N 2.8Å; T165-L176 HydrophobicContact CG2-CD1 4.33Å; T165-V420 HydrophobicContact CG2-CG1 3.85Å; T165-S424 VanDerWaalsContact CA-OG 3.24Å; T165-S424 WeakPolarHBondContact CA-OG 3.45Å
166	A	74.2	Confident	74	Confident	42 Å²	42	69.5 Å²	69.5	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-33.7	176.4	0	0	0	0	0	113.2	D162 L163 T164 K170	D162-A166 PolarHBondContact O-N 3.1Å; D162-A166 VanDerWaalsContact O-N 3.08Å; L163-A166 PolarHBondContact O-N 3.09Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 2.88Å; A166-K170 PolarHBondContact O-N 3.33Å
167	I	68.8	Low	72.6	Confident	84 Å²	84	70.6 Å²	70.6	43%	0.431	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-42.6	174.9	-66.9	164.9	0	0	0	110.5	L163 T164 T165 K170 K171	L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.34Å; L163-I167 VanDerWaalsContact O-N 3.15Å; T164-I167 WeakPolarHBondContact O-CA 3.46Å; T164-I167 WeakPolarHBondContact O-CB 3.01Å; T164-I167 PolarHBondContact O-N 2.95Å; T165-I167 VanDerWaalsContact C-N 3.27Å; T165-I167 PolarHBondContact O-N 3.49Å; I167-K170 PolarHBondContact O-N 2.74Å; I167-K171 HydrophobicContact CG2-CD 3.96Å; I167-K171 HydrophobicContact CG2-CG 4.34Å; I167-K171 WeakPolarHBondContact O-CB 3.37Å; I167-K171 VanDerWaalsContact O-CG 3.32Å; I167-K171 WeakPolarHBondContact O-CG 3.46Å; I167-K171 PolarHBondContact O-N 2.89Å
168	F	72.5	Confident	71.1	Confident	22 Å²	22	76.4 Å²	76.4	10%	0.096	39%	0.389	C	S	.	.	H	α-helix	trans	-74.9	-35.6	178.6	-76.6	-77.1	0	0	0	113.7	T164 T165 K170 K171 M172 V420 P423 S424 T427	T164-F168 WeakPolarHBondContact O-CD2 3.45Å; T164-F168 PolarHBondContact O-N 3.34Å; T165-F168 PolarHBondContact O-N 2.86Å; T165-F168 VanDerWaalsContact O-N 3.14Å; F168-K170 PolarHBondContact O-N 2.84Å; F168-K171 PolarHBondContact O-N 3.35Å; F168-M172 HydrophobicContact CB-SD 4.43Å; F168-M172 HydrophobicContact CD1-CE 3.98Å; F168-M172 VanDerWaalsContact O-CB 3.23Å; F168-M172 WeakPolarHBondContact O-CB 3.35Å; F168-M172 VanDerWaalsContact O-CG 3.3Å; F168-M172 WeakPolarHBondContact O-CG 3.47Å; F168-M172 PolarHBondContact O-N 3.44Å; F168-V420 HydrophobicContact CB-CG1 3.71Å; F168-P423 HydrophobicContact CD1-CB 4.08Å; F168-P423 HydrophobicContact CD1-CG 4.03Å; F168-P423 HydrophobicContact CE1-CB 3.71Å; F168-P423 HydrophobicContact CE1-CG 4.17Å; F168-P423 HydrophobicContact CE2-CB 4.46Å; F168-P423 WeakPolarHBondContact CE2-O 3.47Å; F168-P423 HydrophobicContact CG-CG 4.38Å; F168-P423 HydrophobicContact CZ-CB 3.92Å; F168-S424 VanDerWaalsContact CD2-OG 3.24Å; F168-S424 WeakPolarHBondContact CD2-OG 3.25Å; F168-T427 HydrophobicContact CE2-CG2 4.02Å; F168-T427 WeakPolarHBondContact CE2-OG1 3.31Å; F168-T427 HydrophobicContact CZ-CG2 3.52Å; F168-T427 WeakPolarHBondContact CZ-OG1 3.3Å
169	E	70.1	Confident	69.5	Low	28 Å²	28	83.1 Å²	83.1	13%	0.131	42%	0.418	C	S	.	.	H	α-helix	trans	-50.9	-49.7	168.4	-76.8	-174.1	119.4	0	0	109.9	T165 G173 I174 L176 V420	T165-E169 HydrophobicContact CG2-CG 4.47Å; T165-E169 WeakPolarHBondContact O-CG 3.41Å; T165-E169 PolarHBondContact O-N 2.8Å; E169-G173 PolarHBondContact O-N 2.84Å; E169-G173 VanDerWaalsContact O-N 3.1Å; E169-I174 CarbonylContact C-O 3.59Å; E169-I174 WeakPolarHBondContact CA-O 3.27Å; E169-I174 WeakPolarHBondContact CB-O 3.16Å; E169-I174 PolarHBondContact O-N 2.96Å; E169-I174 VanDerWaalsContact O-O 3.11Å; E169-L176 HydrophobicContact CG-CD1 4.16Å; E169-L176 HydrophobicContact CG-CG 4.12Å; E169-L176 WeakPolarHBondContact OE1-CB 3.41Å; E169-L176 WeakPolarHBondContact OE1-CD1 3.29Å; E169-L176 WeakPolarHBondContact OE1-CG 3.35Å; E169-L176 PolarHBondContact OE1-N 3.14Å; E169-V420 HydrophobicContact CG-CG1 4.08Å
170	K	68.8	Low	68.1	Low	184 Å²	184	81.5 Å²	81.5	80%	0.8	43%	0.433	S	S	*	.	H	α-helix	trans	-67.7	-44.1	178.3	-169.4	179.3	179.6	-174.9	0	113.1	A166 I167 F168 G173	A166-K170 PolarHBondContact O-N 3.33Å; I167-K170 PolarHBondContact O-N 2.74Å; F168-K170 PolarHBondContact O-N 2.84Å; K170-G173 PolarHBondContact O-N 3.25Å
171	K	58.8	Low	67.2	Low	150 Å²	150	81.2 Å²	81.2	65%	0.652	43%	0.427	S	S	*	.	H	α-helix	trans	-67	-35.5	-178.6	-78.9	-178.6	177.2	-176.1	0	112.9	I167 F168	I167-K171 HydrophobicContact CG2-CD 3.96Å; I167-K171 HydrophobicContact CG2-CG 4.34Å; I167-K171 WeakPolarHBondContact O-CB 3.37Å; I167-K171 VanDerWaalsContact O-CG 3.32Å; I167-K171 WeakPolarHBondContact O-CG 3.46Å; I167-K171 PolarHBondContact O-N 2.89Å; F168-K171 PolarHBondContact O-N 3.35Å
172	M	65.9	Low	66.2	Low	78 Å²	78	84.1 Å²	84.1	38%	0.384	44%	0.442	S	S	.	.	H	α-helix	trans	-92	-3.9	-177.7	-62.1	-179.5	161.1	0	0	112.8	F168 I174 R419 V420 P423	F168-M172 HydrophobicContact CB-SD 4.43Å; F168-M172 HydrophobicContact CD1-CE 3.98Å; F168-M172 VanDerWaalsContact O-CB 3.23Å; F168-M172 WeakPolarHBondContact O-CB 3.35Å; F168-M172 VanDerWaalsContact O-CG 3.3Å; F168-M172 WeakPolarHBondContact O-CG 3.47Å; F168-M172 PolarHBondContact O-N 3.44Å; M172-I174 HydrophobicContact CB-CB 4.36Å; M172-I174 HydrophobicContact CB-CD1 3.85Å; M172-I174 HydrophobicContact CB-CG1 3.96Å; M172-I174 PolarHBondContact O-N 3.22Å; M172-I174 HydrophobicContact SD-CD1 4.28Å; M172-R419 WeakPolarHBondContact CE-O 3.19Å; M172-V420 HydrophobicContact SD-CB 4.48Å; M172-V420 HydrophobicContact SD-CG2 3.91Å; M172-P423 HydrophobicContact CE-CG 3.54Å
173	G	63.7	Low	65.4	Low	71 Å²	71	84.2 Å²	84.2	73%	0.732	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	15.5	-174.2	0	0	0	0	0	113.5	E169 K170	E169-G173 PolarHBondContact O-N 2.84Å; E169-G173 VanDerWaalsContact O-N 3.1Å; K170-G173 PolarHBondContact O-N 3.25Å
174	I	70.1	Confident	64.5	Low	28 Å²	28	86.3 Å²	86.3	14%	0.144	46%	0.456	C	S	.	.			trans	-93.6	115.4	-179.1	-66.4	171.9	0	0	0	107.4	E169 M172 L176 D416 V420	E169-I174 CarbonylContact C-O 3.59Å; E169-I174 WeakPolarHBondContact CA-O 3.27Å; E169-I174 WeakPolarHBondContact CB-O 3.16Å; E169-I174 PolarHBondContact O-N 2.96Å; E169-I174 VanDerWaalsContact O-O 3.11Å; M172-I174 HydrophobicContact CB-CB 4.36Å; M172-I174 HydrophobicContact CB-CD1 3.85Å; M172-I174 HydrophobicContact CB-CG1 3.96Å; M172-I174 PolarHBondContact O-N 3.22Å; M172-I174 HydrophobicContact SD-CD1 4.28Å; I174-L176 HydrophobicContact CG2-CD2 3.9Å; I174-L176 HydrophobicContact CG2-CG 4.49Å; I174-D416 HydrophobicContact CD1-CB 4.45Å; I174-D416 HydrophobicContact CG2-CB 3.81Å; I174-V420 HydrophobicContact CB-CG2 3.85Å; I174-V420 HydrophobicContact CD1-CG2 3.79Å; I174-V420 HydrophobicContact CG1-CG2 4.4Å; I174-V420 HydrophobicContact CG2-CG2 3.78Å
175	Q	67.5	Low	63.8	Low	169 Å²	169	93.4 Å²	93.4	79%	0.79	48%	0.484	S	S	*	.			trans	-97.4	112.7	168.9	-165.6	174.8	3.3	0	0	107.9	E177	Q175-E177 PolarHBondContact O-N 2.55Å
176	L	72.6	Confident	63	Low	19 Å²	19	98.5 Å²	98.5	10%	0.099	51%	0.508	C	S	.	.			trans	-67.8	104.8	176.2	-60	175.5	0	0	0	108.2	E93 T165 E169 I174 D416 T417	E93-L176 HydrophobicContact CB-CB 4.3Å; T165-L176 HydrophobicContact CG2-CD1 4.33Å; E169-L176 HydrophobicContact CG-CD1 4.16Å; E169-L176 HydrophobicContact CG-CG 4.12Å; E169-L176 WeakPolarHBondContact OE1-CB 3.41Å; E169-L176 WeakPolarHBondContact OE1-CD1 3.29Å; E169-L176 WeakPolarHBondContact OE1-CG 3.35Å; E169-L176 PolarHBondContact OE1-N 3.14Å; I174-L176 HydrophobicContact CG2-CD2 3.9Å; I174-L176 HydrophobicContact CG2-CG 4.49Å; L176-D416 HydrophobicContact CD2-CB 4.34Å; L176-T417 HydrophobicContact CD1-CG2 4.44Å; L176-T417 WeakPolarHBondContact CD2-OG1 3.26Å
177	E	56	Low	62.1	Low	145 Å²	145	98.3 Å²	98.3	68%	0.678	51%	0.51	S	S	*	.			trans	-44.3	149.2	-169.1	-98.6	-173.9	154.8	0	0	116.1	Q175 R414	Q175-E177 PolarHBondContact O-N 2.55Å; E177-R414 IonicContact OE2-CZ 3.51Å; E177-R414 IonicContact OE2-NH1 3.59Å; E177-R414 PolarHBondContact OE2-NH1 3.31Å
178	Q	48.1	Very low	62.1	Low	185 Å²	185	97.8 Å²	97.8	86%	0.864	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-99.8	127.4	164.7	-64.1	-173.4	-9.7	0	0	110.1
179	K	49.8	Very low	62	Low	141 Å²	141	98.5 Å²	98.5	61%	0.613	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-60.1	136.6	-168.1	-172.1	-171.4	174.7	-153.4	0	113.9	E186	K179-E186 IonicContact NZ-OE1 3.54Å; K179-E186 PolarHBondContact NZ-OE1 2.9Å; K179-E186 IonicContact NZ-OE2 2.71Å; K179-E186 PolarHBondContact NZ-OE2 3.34Å
180	A	52.5	Low	62.3	Low	98 Å²	98	100 Å²	100	81%	0.81	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-70.4	129	163	0	0	0	0	0	110.9
181	I	59.5	Low	62.4	Low	80 Å²	80	96.2 Å²	96.2	41%	0.41	52%	0.515	S	S	.	.			trans	-112.6	120.9	-171.5	-61.3	172.3	0	0	0	109.8	G183 E186 P189	I181-G183 PolarHBondContact O-N 2.84Å; I181-E186 HydrophobicContact CG2-CB 3.83Å; I181-P189 HydrophobicContact CB-CG 4.37Å; I181-P189 HydrophobicContact CD1-CG 3.61Å; I181-P189 HydrophobicContact CG2-CG 4.22Å
182	D	62.3	Low	63.1	Low	68 Å²	68	94.1 Å²	94.1	36%	0.364	53%	0.525	S	S	.	.			trans	-71.7	92.4	167.7	-179.9	-15.5	0	0	0	108.5	F184 K185 E186	D182-F184 PolarHBondContact O-N 2.95Å; D182-F184 WeakPolarHBondContact OD1-CA 3.47Å; D182-F184 WeakPolarHBondContact OD1-CB 3.48Å; D182-F184 PolarHBondContact OD1-N 2.93Å; D182-K185 HydrophobicContact CB-CB 4.4Å; D182-K185 PolarHBondContact O-N 2.77Å; D182-K185 VanDerWaalsContact O-N 3.08Å; D182-K185 PolarHBondContact OD1-N 3.35Å; D182-K185 VanDerWaalsContact OD2-CD 3.26Å; D182-K185 WeakPolarHBondContact OD2-CD 3.28Å; D182-K185 WeakPolarHBondContact OD2-CE 3.36Å; D182-K185 WeakPolarHBondContact OD2-CG 3.39Å; D182-K185 IonicContact OD2-NZ 3.26Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 3.23Å
183	G	64.9	Low	63.4	Low	34 Å²	34	97.6 Å²	97.6	35%	0.351	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.9	-178.8	0	0	0	0	0	114.4	I181 G187	I181-G183 PolarHBondContact O-N 2.84Å; G183-G187 CarbonylContact O-C 3.44Å; G183-G187 WeakPolarHBondContact O-CA 3.28Å; G183-G187 PolarHBondContact O-N 3.24Å
184	F	56	Low	64.2	Low	156 Å²	156	95.6 Å²	95.6	68%	0.684	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-38.8	175.3	-124.7	-100.7	0	0	0	113	D182	D182-F184 PolarHBondContact O-N 2.95Å; D182-F184 WeakPolarHBondContact OD1-CA 3.47Å; D182-F184 WeakPolarHBondContact OD1-CB 3.48Å; D182-F184 PolarHBondContact OD1-N 2.93Å
185	K	59.6	Low	64.8	Low	179 Å²	179	97.5 Å²	97.5	78%	0.778	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-39.3	179.3	-69.6	-179.4	-171.3	162.6	0	112.8	D182	D182-K185 HydrophobicContact CB-CB 4.4Å; D182-K185 PolarHBondContact O-N 2.77Å; D182-K185 VanDerWaalsContact O-N 3.08Å; D182-K185 PolarHBondContact OD1-N 3.35Å; D182-K185 VanDerWaalsContact OD2-CD 3.26Å; D182-K185 WeakPolarHBondContact OD2-CD 3.28Å; D182-K185 WeakPolarHBondContact OD2-CE 3.36Å; D182-K185 WeakPolarHBondContact OD2-CG 3.39Å; D182-K185 IonicContact OD2-NZ 3.26Å
186	E	61.2	Low	65.9	Low	107 Å²	107	93.1 Å²	93.1	50%	0.5	52%	0.524	S	S	.	.	S	Bend	trans	-98.8	-9.8	-170.5	-58	-168	-172.7	0	0	112.8	K179 I181 D182	K179-E186 IonicContact NZ-OE1 3.54Å; K179-E186 PolarHBondContact NZ-OE1 2.9Å; K179-E186 IonicContact NZ-OE2 2.71Å; K179-E186 PolarHBondContact NZ-OE2 3.34Å; I181-E186 HydrophobicContact CG2-CB 3.83Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 3.23Å
187	G	55.3	Low	66.7	Low	38 Å²	38	92.7 Å²	92.7	39%	0.392	52%	0.523	S	S	.	.			trans	81.5	158	-171	0	0	0	0	0	112.2	G183	G183-G187 CarbonylContact O-C 3.44Å; G183-G187 WeakPolarHBondContact O-CA 3.28Å; G183-G187 PolarHBondContact O-N 3.24Å
188	E	68	Low	68.3	Low	74 Å²	74	90.5 Å²	90.5	35%	0.346	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-74.6	128.6	-179.2	-167.6	-177.3	-179.2	0	0	110.5	I194 Y210 R213	E188-I194 HydrophobicContact CG-CD1 3.71Å; E188-Y210 HydrophobicContact CG-CE1 4.48Å; E188-Y210 WeakPolarHBondContact OE1-CE1 3.32Å; E188-R213 IonicContact OE1-NH1 2.79Å; E188-R213 PolarHBondContact OE1-NH1 2.87Å; E188-R213 IonicContact OE2-CZ 3.88Å; E188-R213 IonicContact OE2-NH1 2.77Å; E188-R213 PolarHBondContact OE2-NH1 3.37Å
189	P	72	Confident	70.1	Confident	36 Å²	36	82 Å²	82	23%	0.234	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-59.8	174	171.9	-22.1	33.3	0	0	0	112.9	I181 E193 I194	I181-P189 HydrophobicContact CB-CG 4.37Å; I181-P189 HydrophobicContact CD1-CG 3.61Å; I181-P189 HydrophobicContact CG2-CG 4.22Å; P189-E193 HydrophobicContact CB-CB 4.26Å; P189-I194 HydrophobicContact CB-CG1 4.19Å; P189-I194 HydrophobicContact CG-CG1 4.45Å
190	A	74.9	Confident	71.6	Confident	59 Å²	59	80 Å²	80	49%	0.488	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-62.7	143.1	171.4	0	0	0	0	0	110.3	A192 E193	A190-A192 PolarHBondContact O-N 2.66Å; A190-E193 HydrophobicContact CB-CG 4.33Å; A190-E193 WeakPolarHBondContact O-CB 3.45Å; A190-E193 PolarHBondContact O-N 3.47Å
191	E	72.3	Confident	72.9	Confident	106 Å²	106	76.2 Å²	76.2	50%	0.495	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-51.6	-34.5	-175.4	177.2	172.7	161.1	0	0	113.7	E193 I194 R213 I215	E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 3.01Å; E191-I194 PolarHBondContact O-N 3.15Å; E191-R213 HydrophobicContact CG-CB 4.35Å; E191-R213 VanDerWaalsContact OE1-O 3.12Å; E191-I215 HydrophobicContact CG-CD1 4.18Å; E191-I215 HydrophobicContact CG-CG1 4.38Å
192	A	72.7	Confident	73.4	Confident	106 Å²	106	75.1 Å²	75.1	88%	0.876	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-71.7	-14.5	178.3	0	0	0	0	0	114.7	A190	A190-A192 PolarHBondContact O-N 2.66Å
193	E	72	Confident	73.9	Confident	150 Å²	150	73.6 Å²	73.6	70%	0.701	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-97.7	-5.7	-177.6	-60.1	179.7	152.3	0	0	112.4	P189 A190 E191	P189-E193 HydrophobicContact CB-CB 4.26Å; A190-E193 HydrophobicContact CB-CG 4.33Å; A190-E193 WeakPolarHBondContact O-CB 3.45Å; A190-E193 PolarHBondContact O-N 3.47Å; E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 3.01Å
194	I	81.9	Confident	74.3	Confident	30 Å²	30	74.4 Å²	74.4	15%	0.154	45%	0.45	C	S	.	.			trans	-94.5	104.8	-174.6	-54.5	173.6	0	0	0	109.8	E188 P189 E191 I215	E188-I194 HydrophobicContact CG-CD1 3.71Å; P189-I194 HydrophobicContact CB-CG1 4.19Å; P189-I194 HydrophobicContact CG-CG1 4.45Å; E191-I194 PolarHBondContact O-N 3.15Å; I194-I215 HydrophobicContact CB-CD1 4.43Å; I194-I215 HydrophobicContact CB-CG2 4.37Å; I194-I215 HydrophobicContact CD1-CD1 4.01Å; I194-I215 HydrophobicContact CG2-CG2 3.71Å
195	G	82.7	Confident	75.2	Confident	67 Å²	67	72.1 Å²	72.1	69%	0.691	44%	0.444	S	S	*	.	S	Bend	trans	-70.7	-42.5	176.1	0	0	0	0	0	113.9
196	V	89.3	Confident	76.3	Confident	78 Å²	78	67.5 Å²	67.5	47%	0.473	42%	0.422	S	S	.	.			trans	-155.5	140.4	176.1	64	0	0	0	0	109.7	P216 I218	V196-P216 HydrophobicContact CG2-CB 4.26Å; V196-I218 HydrophobicContact CG2-CD1 4.03Å; V196-I218 HydrophobicContact CG2-CG1 4.2Å
197	A	89.5	Confident	77.3	Confident	9 Å²	9	62.4 Å²	62.4	7%	0.074	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.1	174	0	0	0	0	0	110.2	Y210 I215 P216 T217 I218	A197-Y210 HydrophobicContact CB-CD1 3.68Å; A197-Y210 HydrophobicContact CB-CD2 4.23Å; A197-Y210 HydrophobicContact CB-CE1 4Å; A197-Y210 HydrophobicContact CB-CG 3.8Å; A197-I215 HydrophobicContact CB-CG2 4.09Å; A197-P216 PolarHBondContact N-O 3.32Å; A197-T217 WeakPolarHBondContact O-CA 3.48Å; A197-I218 PolarHBondContact O-N 3.04Å
198	V	89.8	Confident	78.6	Confident	100 Å²	100	60.6 Å²	60.6	61%	0.606	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.6	171.2	-174.8	0	0	0	0	108.4
199	I	86.7	Confident	79.5	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.036	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.5	-175.5	65.5	171.1	0	0	0	111.8	C201 R206 Y210 T217 I218 N219 I220	I199-C201 HydrophobicContact CD1-CB 4.25Å; I199-R206 HydrophobicContact CD1-CB 3.92Å; I199-Y210 HydrophobicContact CG2-CD2 3.87Å; I199-Y210 HydrophobicContact CG2-CE2 3.55Å; I199-T217 HydrophobicContact CD1-CG2 3.74Å; I199-T217 HydrophobicContact CG1-CG2 4.03Å; I199-I218 WeakPolarHBondContact CG1-O 3.49Å; I199-I218 PolarHBondContact N-O 3.18Å; I199-N219 HydrophobicContact CD1-CB 4.06Å; I199-N219 HydrophobicContact CG1-CB 3.78Å; I199-N219 WeakPolarHBondContact O-CA 3.12Å; I199-N219 PolarHBondContact O-OD1 3.18Å; I199-I220 PolarHBondContact O-N 3.29Å; I199-I220 VanDerWaalsContact O-N 3.12Å
200	D	81.7	Confident	80.3	Confident	99 Å²	99	59.9 Å²	59.9	53%	0.529	37%	0.372	S	S	.	.			trans	-107.7	82.5	167.2	-178.7	12.9	0	0	0	108.9	I220 H221	D200-I220 HydrophobicContact CB-CD1 3.69Å; D200-I220 HydrophobicContact CB-CG1 4.02Å; D200-H221 IonicContact OD1-CD2 2.96Å; D200-H221 PolarHBondContact OD1-CD2 3.08Å; D200-H221 IonicContact OD1-NE2 2.99Å; D200-H221 PolarHBondContact OD1-NE2 3.38Å
201	C	77.7	Confident	81	Confident	18 Å²	18	57.2 Å²	57.2	12%	0.122	35%	0.35	C	S	.	.			trans	-134.7	105.6	-176.7	-162.3	0	0	0	0	112.7	I199 G203 R206 N219 T223	I199-C201 HydrophobicContact CD1-CB 4.25Å; C201-G203 PolarHBondContact O-N 2.69Å; C201-R206 HydrophobicContact CB-CB 3.92Å; C201-R206 HydrophobicContact CB-CG 4.47Å; C201-N219 PolarHBondContact N-OD1 2.87Å; C201-N219 PolarHBondContact O-ND2 3.23Å; C201-N219 PolarHBondContact O-OD1 3.05Å; C201-T223 PolarHBondContact O-OG1 3.2Å
202	G	71.7	Confident	81.7	Confident	57 Å²	57	58 Å²	58	59%	0.588	35%	0.352	S	S	*	.	S	Bend	trans	-76.3	-5.1	166.8	0	0	0	0	0	114.7	H221	G202-H221 PolarHBondContact N-CD2 3.29Å
203	G	71.7	Confident	82.5	Confident	36 Å²	36	57.4 Å²	57.4	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	-95	178.1	175	0	0	0	0	0	113	C201 C207	C201-G203 PolarHBondContact O-N 2.69Å; G203-C207 PolarHBondContact O-SG 3.49Å
204	T	73.6	Confident	83.2	Confident	50 Å²	50	57 Å²	57	31%	0.307	32%	0.319	S	S	.	.	S	Bend	trans	-91	-12.4	-177.4	56.3	0	0	0	0	114.8	S226	T204-S226 WeakPolarHBondContact CB-O 3.39Å; T204-S226 WeakPolarHBondContact CG2-O 3.49Å; T204-S226 WeakPolarHBondContact CG2-OG 2.99Å
205	L	76.1	Confident	83.6	Confident	108 Å²	108	55.9 Å²	55.9	57%	0.565	31%	0.313	S	S	*	.	S	Bend	trans	-72.8	-56.7	-169.4	-164.2	79.7	0	0	0	113.1	C207 G208 I209	L205-C207 VanDerWaalsContact C-N 3.27Å; L205-C207 PolarHBondContact O-N 3.48Å; L205-G208 PolarHBondContact O-N 3Å; L205-G208 VanDerWaalsContact O-N 3.15Å; L205-I209 HydrophobicContact CD2-CD1 4.04Å; L205-I209 HydrophobicContact CG-CD1 3.8Å; L205-I209 WeakPolarHBondContact O-CG1 3.34Å; L205-I209 PolarHBondContact O-N 3.3Å; L205-I209 VanDerWaalsContact O-N 3.14Å
206	R	81	Confident	84.1	Confident	82 Å²	82	55.6 Å²	55.6	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-70.4	-26.8	-178.7	-63.6	-172.7	-162.1	162.7	15.6	112.7	I199 C201 G208 I209 Y210	I199-R206 HydrophobicContact CD1-CB 3.92Å; C201-R206 HydrophobicContact CB-CB 3.92Å; C201-R206 HydrophobicContact CB-CG 4.47Å; R206-G208 PolarHBondContact O-N 3.02Å; R206-G208 VanDerWaalsContact O-N 3.13Å; R206-I209 PolarHBondContact O-N 2.89Å; R206-Y210 HydrophobicContact CB-CE2 4.4Å
207	C	82.1	Confident	84.2	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-23.7	172.3	-56.3	0	0	0	0	112.5	G203 L205 P211 N219 I233 Y238	G203-C207 PolarHBondContact O-SG 3.49Å; L205-C207 VanDerWaalsContact C-N 3.27Å; L205-C207 PolarHBondContact O-N 3.48Å; C207-P211 WeakPolarHBondContact O-CD 3.44Å; C207-P211 VanDerWaalsContact O-CG 3.29Å; C207-P211 WeakPolarHBondContact O-CG 3.4Å; C207-N219 PolarHBondContact SG-ND2 3.26Å; C207-I233 HydrophobicContact CB-CD1 3.91Å; C207-I233 WeakPolarHBondContact O-CG1 3.36Å; C207-Y238 HydrophobicContact CB-CE2 4.14Å; C207-Y238 PolarHBondContact SG-OH 2.82Å
208	G	83	Confident	84.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-111.4	-22	178.4	0	0	0	0	0	116.1	L205 R206 K212	L205-G208 PolarHBondContact O-N 3Å; L205-G208 VanDerWaalsContact O-N 3.15Å; R206-G208 PolarHBondContact O-N 3.02Å; R206-G208 VanDerWaalsContact O-N 3.13Å; G208-K212 WeakPolarHBondContact O-CB 3.16Å; G208-K212 PolarHBondContact O-N 3.16Å
209	I	86.5	Confident	84.4	Confident	52 Å²	52	49.2 Å²	49.2	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-50.7	-176.4	-76	171.4	0	0	0	111.9	L205 R206 L229	L205-I209 HydrophobicContact CD2-CD1 4.04Å; L205-I209 HydrophobicContact CG-CD1 3.8Å; L205-I209 WeakPolarHBondContact O-CG1 3.34Å; L205-I209 PolarHBondContact O-N 3.3Å; L205-I209 VanDerWaalsContact O-N 3.14Å; R206-I209 PolarHBondContact O-N 2.89Å; I209-L229 HydrophobicContact CG1-CD1 4.05Å
210	Y	90.4	Very high	84.5	Confident	43 Å²	43	52.8 Å²	52.8	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-70	-43.4	-179.8	-60.1	-80.4	0	0	0	111.7	E188 A197 I199 R206 K212 R213 R214 I215 T217	E188-Y210 HydrophobicContact CG-CE1 4.48Å; E188-Y210 WeakPolarHBondContact OE1-CE1 3.32Å; A197-Y210 HydrophobicContact CB-CD1 3.68Å; A197-Y210 HydrophobicContact CB-CD2 4.23Å; A197-Y210 HydrophobicContact CB-CE1 4Å; A197-Y210 HydrophobicContact CB-CG 3.8Å; I199-Y210 HydrophobicContact CG2-CD2 3.87Å; I199-Y210 HydrophobicContact CG2-CE2 3.55Å; R206-Y210 HydrophobicContact CB-CE2 4.4Å; Y210-K212 VanDerWaalsContact C-N 3.32Å; Y210-K212 PolarHBondContact O-N 3.45Å; Y210-R213 CarbonylContact O-C 3.47Å; Y210-R213 WeakPolarHBondContact O-CA 3.19Å; Y210-R213 WeakPolarHBondContact O-CB 3.34Å; Y210-R213 PolarHBondContact O-N 2.92Å; Y210-R214 PolarHBondContact O-N 3.11Å; Y210-I215 HydrophobicContact CD1-CD1 4.1Å; Y210-I215 PolarHBondContact O-N 3.28Å; Y210-I215 VanDerWaalsContact O-N 3.11Å; Y210-T217 WeakPolarHBondContact CB-OG1 3.46Å
211	P	88.4	Confident	84.5	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-29.9	175.4	-29.3	40.7	0	0	0	114.8	C207 R213 R214 T217 Y232 I237 Y238	C207-P211 WeakPolarHBondContact O-CD 3.44Å; C207-P211 VanDerWaalsContact O-CG 3.29Å; C207-P211 WeakPolarHBondContact O-CG 3.4Å; P211-R213 PolarHBondContact O-N 3.06Å; P211-R214 PolarHBondContact O-N 3.37Å; P211-T217 WeakPolarHBondContact CD-OG1 3.27Å; P211-Y232 WeakPolarHBondContact CB-O 3.24Å; P211-I237 HydrophobicContact CB-CD1 3.75Å; P211-Y238 HydrophobicContact CG-CD2 3.95Å
212	K	87	Confident	84.8	Confident	122 Å²	122	56.4 Å²	56.4	53%	0.53	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-30.7	171.8	-179.4	-179.3	178.2	-174.3	0	112.1	G208 Y210 R214 Y232	G208-K212 WeakPolarHBondContact O-CB 3.16Å; G208-K212 PolarHBondContact O-N 3.16Å; Y210-K212 VanDerWaalsContact C-N 3.32Å; Y210-K212 PolarHBondContact O-N 3.45Å; K212-R214 VanDerWaalsContact C-N 3.33Å; K212-Y232 HydrophobicContact CB-CD1 4.24Å; K212-Y232 HydrophobicContact CB-CD2 3.96Å; K212-Y232 HydrophobicContact CB-CE2 4.36Å; K212-Y232 HydrophobicContact CB-CG 3.89Å; K212-Y232 HydrophobicContact CD-CD2 4.42Å; K212-Y232 HydrophobicContact CD-CE2 4.04Å; K212-Y232 HydrophobicContact CG-CD1 4.24Å; K212-Y232 HydrophobicContact CG-CD2 4.15Å; K212-Y232 HydrophobicContact CG-CE1 4.15Å; K212-Y232 HydrophobicContact CG-CE2 4.04Å; K212-Y232 HydrophobicContact CG-CG 4.24Å
213	R	88.9	Confident	85.1	Confident	95 Å²	95	54.4 Å²	54.4	36%	0.358	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.5	174.1	-65.5	179.3	-175.6	159.9	-1	113	E188 E191 Y210 P211 I215	E188-R213 IonicContact OE1-NH1 2.79Å; E188-R213 PolarHBondContact OE1-NH1 2.87Å; E188-R213 IonicContact OE2-CZ 3.88Å; E188-R213 IonicContact OE2-NH1 2.77Å; E188-R213 PolarHBondContact OE2-NH1 3.37Å; E191-R213 HydrophobicContact CG-CB 4.35Å; E191-R213 VanDerWaalsContact OE1-O 3.12Å; Y210-R213 CarbonylContact O-C 3.47Å; Y210-R213 WeakPolarHBondContact O-CA 3.19Å; Y210-R213 WeakPolarHBondContact O-CB 3.34Å; Y210-R213 PolarHBondContact O-N 2.92Å; P211-R213 PolarHBondContact O-N 3.06Å; R213-I215 HydrophobicContact CB-CD1 3.94Å; R213-I215 HydrophobicContact CB-CG1 3.98Å; R213-I215 PolarHBondContact O-N 3.39Å; R213-I215 VanDerWaalsContact O-N 3.13Å
214	R	88.5	Confident	85.1	Confident	142 Å²	142	55 Å²	55	54%	0.536	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	20.7	-175.3	-68.9	-69	-61.3	171.3	-2.1	114.9	Y210 P211 K212 D236	Y210-R214 PolarHBondContact O-N 3.11Å; P211-R214 PolarHBondContact O-N 3.37Å; K212-R214 VanDerWaalsContact C-N 3.33Å; R214-D236 IonicContact CZ-OD2 2.74Å; R214-D236 VanDerWaalsContact CZ-OD2 3.26Å; R214-D236 IonicContact NH1-OD1 2.81Å; R214-D236 PolarHBondContact NH1-OD1 3.24Å; R214-D236 IonicContact NH1-OD2 3.98Å; R214-D236 PolarHBondContact NH1-OD2 2.82Å; R214-D236 IonicContact NH2-OD2 3.67Å; R214-D236 PolarHBondContact NH2-OD2 2.71Å
215	I	90.1	Very high	85.4	Confident	6 Å²	6	59 Å²	59	3%	0.031	30%	0.295	C	S	.	.			trans	-79.7	128	176.4	-58.5	169.9	0	0	0	108.8	E191 I194 A197 Y210 R213 T217	E191-I215 HydrophobicContact CG-CD1 4.18Å; E191-I215 HydrophobicContact CG-CG1 4.38Å; I194-I215 HydrophobicContact CB-CD1 4.43Å; I194-I215 HydrophobicContact CB-CG2 4.37Å; I194-I215 HydrophobicContact CD1-CD1 4.01Å; I194-I215 HydrophobicContact CG2-CG2 3.71Å; A197-I215 HydrophobicContact CB-CG2 4.09Å; Y210-I215 HydrophobicContact CD1-CD1 4.1Å; Y210-I215 PolarHBondContact O-N 3.28Å; Y210-I215 VanDerWaalsContact O-N 3.11Å; R213-I215 HydrophobicContact CB-CD1 3.94Å; R213-I215 HydrophobicContact CB-CG1 3.98Å; R213-I215 PolarHBondContact O-N 3.39Å; R213-I215 VanDerWaalsContact O-N 3.13Å; I215-T217 PolarHBondContact O-N 3.43Å; I215-T217 PolarHBondContact O-OG1 2.84Å
216	P	92.6	Very high	85.3	Confident	60 Å²	60	56.3 Å²	56.3	39%	0.39	29%	0.285	S	S	.	.			trans	-54	126.2	171.8	-25	34.8	0	0	0	110.7	V196 A197 I237	V196-P216 HydrophobicContact CG2-CB 4.26Å; A197-P216 PolarHBondContact N-O 3.32Å; P216-I237 WeakPolarHBondContact CA-O 3.48Å
217	T	92.1	Very high	85.1	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.5	-170.2	-54.5	0	0	0	0	110.8	A197 I199 Y210 P211 I215 I237 Y238 V239	A197-T217 WeakPolarHBondContact O-CA 3.48Å; I199-T217 HydrophobicContact CD1-CG2 3.74Å; I199-T217 HydrophobicContact CG1-CG2 4.03Å; Y210-T217 WeakPolarHBondContact CB-OG1 3.46Å; P211-T217 WeakPolarHBondContact CD-OG1 3.27Å; I215-T217 PolarHBondContact O-N 3.43Å; I215-T217 PolarHBondContact O-OG1 2.84Å; T217-I237 PolarHBondContact N-O 2.94Å; T217-Y238 HydrophobicContact CG2-CD2 3.98Å; T217-Y238 HydrophobicContact CG2-CE2 4.17Å; T217-V239 PolarHBondContact O-N 3.26Å
218	I	92.4	Very high	84.9	Confident	51 Å²	51	59.1 Å²	59.1	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.5	174.1	-63.6	174.4	0	0	0	108	V196 A197 I199 V239 V242	V196-I218 HydrophobicContact CG2-CD1 4.03Å; V196-I218 HydrophobicContact CG2-CG1 4.2Å; A197-I218 PolarHBondContact O-N 3.04Å; I199-I218 WeakPolarHBondContact CG1-O 3.49Å; I199-I218 PolarHBondContact N-O 3.18Å; I218-V239 HydrophobicContact CB-CG1 4.38Å; I218-V239 HydrophobicContact CG1-CG1 3.92Å; I218-V239 HydrophobicContact CG2-CG1 4.45Å; I218-V242 HydrophobicContact CG2-CB 3.81Å; I218-V242 HydrophobicContact CG2-CG1 4.05Å; I218-V242 HydrophobicContact CG2-CG2 3.79Å
219	N	89.7	Confident	85	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.7	171.3	-167.9	0.7	0	0	0	111	I199 C201 C207 H221 Y238 V239 S240 G241 V242	I199-N219 HydrophobicContact CD1-CB 4.06Å; I199-N219 HydrophobicContact CG1-CB 3.78Å; I199-N219 WeakPolarHBondContact O-CA 3.12Å; I199-N219 PolarHBondContact O-OD1 3.18Å; C201-N219 PolarHBondContact N-OD1 2.87Å; C201-N219 PolarHBondContact O-ND2 3.23Å; C201-N219 PolarHBondContact O-OD1 3.05Å; C207-N219 PolarHBondContact SG-ND2 3.26Å; N219-H221 VanDerWaalsContact C-N 3.29Å; N219-H221 PolarHBondContact O-N 3.42Å; N219-H221 PolarHBondContact OD1-N 3.08Å; N219-H221 VanDerWaalsContact OD1-N 3.13Å; N219-Y238 HydrophobicContact CB-CE2 4.14Å; N219-Y238 PolarHBondContact ND2-OH 2.91Å; N219-V239 PolarHBondContact N-O 3.36Å; N219-S240 CarbonylContact O-C 3.56Å; N219-S240 VanDerWaalsContact O-CA 3.29Å; N219-S240 WeakPolarHBondContact O-CA 3.34Å; N219-G241 PolarHBondContact O-N 3.41Å; N219-V242 PolarHBondContact O-N 3.01Å
220	I	89.1	Confident	84.8	Confident	81 Å²	81	59 Å²	59	42%	0.415	32%	0.323	S	S	.	.	S	Bend	trans	-74.2	-22.1	177.5	65.8	174.3	0	0	0	112.5	I199 D200	I199-I220 PolarHBondContact O-N 3.29Å; I199-I220 VanDerWaalsContact O-N 3.12Å; D200-I220 HydrophobicContact CB-CD1 3.69Å; D200-I220 HydrophobicContact CB-CG1 4.02Å
221	H	81.9	Confident	84.5	Confident	89 Å²	89	62 Å²	62	41%	0.412	34%	0.339	S	S	.	.	S	Bend	trans	-85.8	141.4	172.1	-78.5	-70.7	0	0	0	111.9	D200 G202 N219 T223 S240 G241	D200-H221 IonicContact OD1-CD2 2.96Å; D200-H221 PolarHBondContact OD1-CD2 3.08Å; D200-H221 IonicContact OD1-NE2 2.99Å; D200-H221 PolarHBondContact OD1-NE2 3.38Å; G202-H221 PolarHBondContact N-CD2 3.29Å; N219-H221 VanDerWaalsContact C-N 3.29Å; N219-H221 PolarHBondContact O-N 3.42Å; N219-H221 PolarHBondContact OD1-N 3.08Å; N219-H221 VanDerWaalsContact OD1-N 3.13Å; H221-T223 VanDerWaalsContact C-N 3.28Å; H221-T223 PolarHBondContact O-N 3.28Å; H221-S240 WeakPolarHBondContact O-CB 3.33Å; H221-G241 PolarHBondContact O-N 2.74Å
222	S	83.3	Confident	84.6	Confident	104 Å²	104	66 Å²	66	73%	0.727	35%	0.354	S	S	*	.			trans	-72.4	78.8	172.5	-59.3	0	0	0	0	111.4	G241	S222-G241 WeakPolarHBondContact OG-CA 3.35Å
223	T	78.4	Confident	84.6	Confident	16 Å²	16	60.8 Å²	60.8	10%	0.098	33%	0.332	C	S	.	.			trans	-112.8	107.1	-178.6	-52.9	0	0	0	0	109.9	C201 H221 Y238 S240	C201-T223 PolarHBondContact O-OG1 3.2Å; H221-T223 VanDerWaalsContact C-N 3.28Å; H221-T223 PolarHBondContact O-N 3.28Å; T223-Y238 PolarHBondContact O-OH 3.15Å; T223-S240 PolarHBondContact O-OG 2.99Å
224	G	73	Confident	84.5	Confident	49 Å²	49	58.8 Å²	58.8	51%	0.505	33%	0.33	S	S	.	.			trans	-74	175.8	177.5	0	0	0	0	0	114.1	S226	G224-S226 PolarHBondContact O-N 3.15Å; G224-S226 PolarHBondContact O-OG 3.4Å; G224-S226 VanDerWaalsContact O-OG 3.06Å
225	K	79.8	Confident	84.3	Confident	133 Å²	133	61.4 Å²	61.4	58%	0.578	35%	0.348	S	S	*	.	S	Bend	trans	-60.9	92.5	-178.7	-171.3	169.4	-168.3	174	0	112	A230 I233	K225-A230 WeakPolarHBondContact CE-O 3.45Å; K225-A230 HydrophobicContact CG-CB 3.84Å; K225-A230 WeakPolarHBondContact CG-O 3.32Å; K225-I233 HydrophobicContact CG-CB 4.41Å
226	S	72.2	Confident	84.3	Confident	51 Å²	51	66.1 Å²	66.1	36%	0.357	37%	0.373	S	S	.	.			trans	-148.4	156.3	-175.3	59.7	0	0	0	0	112.1	T204 G224	T204-S226 WeakPolarHBondContact CB-O 3.39Å; T204-S226 WeakPolarHBondContact CG2-O 3.49Å; T204-S226 WeakPolarHBondContact CG2-OG 2.99Å; G224-S226 PolarHBondContact O-N 3.15Å; G224-S226 PolarHBondContact O-OG 3.4Å; G224-S226 VanDerWaalsContact O-OG 3.06Å
227	G	78.3	Confident	84.2	Confident	40 Å²	40	64 Å²	64	41%	0.412	36%	0.359	S	S	.	.	S	Bend	trans	87.9	178.2	-178.9	0	0	0	0	0	115.5	L229 A230	G227-L229 PolarHBondContact O-N 3.17Å; G227-L229 VanDerWaalsContact O-N 3.14Å; G227-A230 WeakPolarHBondContact O-CB 3.42Å; G227-A230 PolarHBondContact O-N 2.96Å; G227-A230 VanDerWaalsContact O-N 3.08Å
228	P	77.2	Confident	84.2	Confident	102 Å²	102	64.9 Å²	64.9	66%	0.662	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.3	-171.7	26.5	-34.3	0	0	0	114.7	Q231	P228-Q231 PolarHBondContact O-NE2 3.22Å; P228-Q231 PolarHBondContact O-OE1 3.14Å
229	L	84.6	Confident	84.2	Confident	32 Å²	32	66 Å²	66	17%	0.168	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	9.7	177.6	-59.9	179	0	0	0	112.5	I209 G227 Q231 Y232	I209-L229 HydrophobicContact CG1-CD1 4.05Å; G227-L229 PolarHBondContact O-N 3.17Å; G227-L229 VanDerWaalsContact O-N 3.14Å; L229-Q231 PolarHBondContact O-N 2.99Å; L229-Q231 VanDerWaalsContact O-N 3.13Å; L229-Y232 HydrophobicContact CB-CD2 4.16Å; L229-Y232 HydrophobicContact CD2-CD2 4.14Å; L229-Y232 HydrophobicContact CD2-CE2 3.96Å; L229-Y232 WeakPolarHBondContact O-CD2 3.2Å; L229-Y232 PolarHBondContact O-N 3.36Å; L229-Y232 VanDerWaalsContact O-N 3.08Å
230	A	82.5	Confident	84.2	Confident	16 Å²	16	68.1 Å²	68.1	13%	0.132	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-53	-37.8	-175.3	0	0	0	0	0	112.6	K225 G227 Y232 I233	K225-A230 WeakPolarHBondContact CE-O 3.45Å; K225-A230 HydrophobicContact CG-CB 3.84Å; K225-A230 WeakPolarHBondContact CG-O 3.32Å; G227-A230 WeakPolarHBondContact O-CB 3.42Å; G227-A230 PolarHBondContact O-N 2.96Å; G227-A230 VanDerWaalsContact O-N 3.08Å; A230-Y232 PolarHBondContact O-N 3.27Å; A230-Y232 VanDerWaalsContact O-N 3.07Å; A230-I233 WeakPolarHBondContact O-CB 3.24Å; A230-I233 PolarHBondContact O-N 3.27Å
231	Q	85.4	Confident	84	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-57.6	-23.9	-179.4	63.4	-83.1	2.6	0	0	114.9	P228 L229	P228-Q231 PolarHBondContact O-NE2 3.22Å; P228-Q231 PolarHBondContact O-OE1 3.14Å; L229-Q231 PolarHBondContact O-N 2.99Å; L229-Q231 VanDerWaalsContact O-N 3.13Å
232	Y	89	Confident	84.4	Confident	87 Å²	87	61.5 Å²	61.5	34%	0.341	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-87.4	-9.7	179.6	-55	-68.7	0	0	0	113.5	P211 K212 L229 A230 V234	P211-Y232 WeakPolarHBondContact CB-O 3.24Å; K212-Y232 HydrophobicContact CB-CD1 4.24Å; K212-Y232 HydrophobicContact CB-CD2 3.96Å; K212-Y232 HydrophobicContact CB-CE2 4.36Å; K212-Y232 HydrophobicContact CB-CG 3.89Å; K212-Y232 HydrophobicContact CD-CD2 4.42Å; K212-Y232 HydrophobicContact CD-CE2 4.04Å; K212-Y232 HydrophobicContact CG-CD1 4.24Å; K212-Y232 HydrophobicContact CG-CD2 4.15Å; K212-Y232 HydrophobicContact CG-CE1 4.15Å; K212-Y232 HydrophobicContact CG-CE2 4.04Å; K212-Y232 HydrophobicContact CG-CG 4.24Å; L229-Y232 HydrophobicContact CB-CD2 4.16Å; L229-Y232 HydrophobicContact CD2-CD2 4.14Å; L229-Y232 HydrophobicContact CD2-CE2 3.96Å; L229-Y232 WeakPolarHBondContact O-CD2 3.2Å; L229-Y232 PolarHBondContact O-N 3.36Å; L229-Y232 VanDerWaalsContact O-N 3.08Å; A230-Y232 PolarHBondContact O-N 3.27Å; A230-Y232 VanDerWaalsContact O-N 3.07Å; Y232-V234 PolarHBondContact O-N 2.88Å
233	I	87	Confident	84.5	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.067	35%	0.349	C	S	.	.			trans	-83.4	95.6	178	-51.4	-176.7	0	0	0	107.5	C207 K225 A230 Y238	C207-I233 HydrophobicContact CB-CD1 3.91Å; C207-I233 WeakPolarHBondContact O-CG1 3.36Å; K225-I233 HydrophobicContact CG-CB 4.41Å; A230-I233 WeakPolarHBondContact O-CB 3.24Å; A230-I233 PolarHBondContact O-N 3.27Å; I233-Y238 HydrophobicContact CG2-CD1 3.22Å; I233-Y238 HydrophobicContact CG2-CD2 4.29Å; I233-Y238 HydrophobicContact CG2-CE1 3.54Å; I233-Y238 HydrophobicContact CG2-CG 3.62Å
234	V	87.1	Confident	84.8	Confident	53 Å²	53	70 Å²	70	32%	0.321	38%	0.383	S	S	.	.			trans	-123.2	144.5	-178.2	-74.6	0	0	0	0	110.3	Y232 D236 I237 Y238	Y232-V234 PolarHBondContact O-N 2.88Å; V234-D236 WeakPolarHBondContact CB-OD1 3.45Å; V234-D236 WeakPolarHBondContact CG2-OD1 3.36Å; V234-D236 PolarHBondContact O-N 3.09Å; V234-D236 VanDerWaalsContact O-N 3.14Å; V234-I237 HydrophobicContact CG2-CD1 4.01Å; V234-I237 HydrophobicContact CG2-CG1 3.68Å; V234-I237 PolarHBondContact O-N 3.12Å; V234-Y238 PolarHBondContact O-N 3.19Å; V234-Y238 VanDerWaalsContact O-N 3.07Å
235	E	85.6	Confident	85	Confident	197 Å²	197	74.8 Å²	74.8	92%	0.921	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.5	-168.7	-66.7	178.3	173.2	0	0	114.3	I237	E235-I237 VanDerWaalsContact C-N 3.35Å
236	D	89.5	Confident	85.2	Confident	104 Å²	104	73 Å²	73	56%	0.556	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.7	-180	69.6	-43.4	0	0	0	113.7	R214 V234	R214-D236 IonicContact CZ-OD2 2.74Å; R214-D236 VanDerWaalsContact CZ-OD2 3.26Å; R214-D236 IonicContact NH1-OD1 2.81Å; R214-D236 PolarHBondContact NH1-OD1 3.24Å; R214-D236 IonicContact NH1-OD2 3.98Å; R214-D236 PolarHBondContact NH1-OD2 2.82Å; R214-D236 IonicContact NH2-OD2 3.67Å; R214-D236 PolarHBondContact NH2-OD2 2.71Å; V234-D236 WeakPolarHBondContact CB-OD1 3.45Å; V234-D236 WeakPolarHBondContact CG2-OD1 3.36Å; V234-D236 PolarHBondContact O-N 3.09Å; V234-D236 VanDerWaalsContact O-N 3.14Å
237	I	89.7	Confident	85.5	Confident	17 Å²	17	75.6 Å²	75.6	9%	0.087	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-6	-176.5	55.8	160.7	0	0	0	114.2	P211 P216 T217 V234 E235	P211-I237 HydrophobicContact CB-CD1 3.75Å; P216-I237 WeakPolarHBondContact CA-O 3.48Å; T217-I237 PolarHBondContact N-O 2.94Å; V234-I237 HydrophobicContact CG2-CD1 4.01Å; V234-I237 HydrophobicContact CG2-CG1 3.68Å; V234-I237 PolarHBondContact O-N 3.12Å; E235-I237 VanDerWaalsContact C-N 3.35Å
238	Y	92.2	Very high	85.2	Confident	21 Å²	21	79.6 Å²	79.6	8%	0.082	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.1	-177.6	-178.5	-91	0	0	0	111.8	C207 P211 T217 N219 T223 I233 V234	C207-Y238 HydrophobicContact CB-CE2 4.14Å; C207-Y238 PolarHBondContact SG-OH 2.82Å; P211-Y238 HydrophobicContact CG-CD2 3.95Å; T217-Y238 HydrophobicContact CG2-CD2 3.98Å; T217-Y238 HydrophobicContact CG2-CE2 4.17Å; N219-Y238 HydrophobicContact CB-CE2 4.14Å; N219-Y238 PolarHBondContact ND2-OH 2.91Å; T223-Y238 PolarHBondContact O-OH 3.15Å; I233-Y238 HydrophobicContact CG2-CD1 3.22Å; I233-Y238 HydrophobicContact CG2-CD2 4.29Å; I233-Y238 HydrophobicContact CG2-CE1 3.54Å; I233-Y238 HydrophobicContact CG2-CG 3.62Å; V234-Y238 PolarHBondContact O-N 3.19Å; V234-Y238 VanDerWaalsContact O-N 3.07Å
239	V	91.9	Very high	84.7	Confident	75 Å²	75	79 Å²	79	46%	0.455	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.1	170.8	65.1	0	0	0	0	109.4	T217 I218 N219 V242	T217-V239 PolarHBondContact O-N 3.26Å; I218-V239 HydrophobicContact CB-CG1 4.38Å; I218-V239 HydrophobicContact CG1-CG1 3.92Å; I218-V239 HydrophobicContact CG2-CG1 4.45Å; N219-V239 PolarHBondContact N-O 3.36Å; V239-V242 HydrophobicContact CB-CG2 4.25Å; V239-V242 HydrophobicContact CG1-CG2 3.66Å; V239-V242 HydrophobicContact CG2-CG2 3.73Å
240	S	90.7	Very high	83.4	Confident	44 Å²	44	84.6 Å²	84.6	31%	0.308	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157	-176.5	75.1	0	0	0	0	112.2	N219 H221 T223 V242	N219-S240 CarbonylContact O-C 3.56Å; N219-S240 VanDerWaalsContact O-CA 3.29Å; N219-S240 WeakPolarHBondContact O-CA 3.34Å; H221-S240 WeakPolarHBondContact O-CB 3.33Å; T223-S240 PolarHBondContact O-OG 2.99Å; S240-V242 VanDerWaalsContact C-N 3.26Å
241	G	84.6	Confident	81.6	Confident	12 Å²	12	87.1 Å²	87.1	12%	0.124	47%	0.471	C	S	.	.	S	Bend	trans	71.3	25.1	-174.7	0	0	0	0	0	112.8	N219 H221 S222 K243 N246	N219-G241 PolarHBondContact O-N 3.41Å; H221-G241 PolarHBondContact O-N 2.74Å; S222-G241 WeakPolarHBondContact OG-CA 3.35Å; G241-K243 PolarHBondContact O-N 3.18Å; G241-N246 PolarHBondContact O-OD1 2.75Å
242	V	89.7	Confident	79.2	Confident	18 Å²	18	88.7 Å²	88.7	11%	0.109	48%	0.483	C	S	.	.			trans	-71	115.5	-179.7	-180	0	0	0	0	109.2	I218 N219 V239 S240 N246 I247	I218-V242 HydrophobicContact CG2-CB 3.81Å; I218-V242 HydrophobicContact CG2-CG1 4.05Å; I218-V242 HydrophobicContact CG2-CG2 3.79Å; N219-V242 PolarHBondContact O-N 3.01Å; V239-V242 HydrophobicContact CB-CG2 4.25Å; V239-V242 HydrophobicContact CG1-CG2 3.66Å; V239-V242 HydrophobicContact CG2-CG2 3.73Å; S240-V242 VanDerWaalsContact C-N 3.26Å; V242-N246 HydrophobicContact CG1-CB 4.24Å; V242-I247 HydrophobicContact CG1-CD1 3.99Å; V242-I247 HydrophobicContact CG1-CG1 3.82Å
243	K	87	Confident	76.6	Confident	125 Å²	125	89.3 Å²	89.3	54%	0.543	51%	0.506	S	S	.	.			trans	-106.2	169.2	170.7	-67.1	173.6	-178.8	177.2	0	109.7	G241 E245 N246	G241-K243 PolarHBondContact O-N 3.18Å; K243-E245 HydrophobicContact CB-CG 3.97Å; K243-E245 PolarHBondContact O-N 3.45Å; K243-E245 VanDerWaalsContact O-N 3.17Å; K243-N246 PolarHBondContact N-OD1 3.21Å; K243-N246 WeakPolarHBondContact O-CB 3.35Å; K243-N246 PolarHBondContact O-N 2.96Å
244	E	83.2	Confident	73.9	Confident	174 Å²	174	95.3 Å²	95.3	81%	0.813	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-51.4	-39	176.1	-65.6	178.1	-175.8	0	0	112.4	N246 I247	E244-N246 PolarHBondContact O-N 2.61Å; E244-I247 PolarHBondContact O-N 3.3Å
245	E	78.5	Confident	71.3	Confident	149 Å²	149	98.8 Å²	98.8	70%	0.696	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-63.9	-18.3	177.2	66.1	-165.9	-170.1	0	0	114.8	K243	K243-E245 HydrophobicContact CB-CG 3.97Å; K243-E245 PolarHBondContact O-N 3.45Å; K243-E245 VanDerWaalsContact O-N 3.17Å
246	N	83	Confident	68.7	Low	96 Å²	96	98.7 Å²	98.7	51%	0.513	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-89.6	-7.8	175.4	-51.4	127.6	0	0	0	112.5	G241 V242 K243 E244	G241-N246 PolarHBondContact O-OD1 2.75Å; V242-N246 HydrophobicContact CG1-CB 4.24Å; K243-N246 PolarHBondContact N-OD1 3.21Å; K243-N246 WeakPolarHBondContact O-CB 3.35Å; K243-N246 PolarHBondContact O-N 2.96Å; E244-N246 PolarHBondContact O-N 2.61Å
247	I	79.8	Confident	65.9	Low	106 Å²	106	99.7 Å²	99.7	54%	0.544	58%	0.579	S	S	.	*			trans	-105.8	109.9	-176	-57.2	173.2	0	0	0	107.7	V242 E244	V242-I247 HydrophobicContact CG1-CD1 3.99Å; V242-I247 HydrophobicContact CG1-CG1 3.82Å; E244-I247 PolarHBondContact O-N 3.3Å
248	T	71.1	Confident	63	Low	124 Å²	124	105 Å²	105	76%	0.761	62%	0.618	S	S	*	*			trans	-98.7	118.9	170.4	-44.5	0	0	0	0	108.6	V250	T248-V250 PolarHBondContact O-N 2.82Å
249	V	66.5	Low	60	Low	90 Å²	90	109.5 Å²	109.5	55%	0.545	65%	0.652	S	S	.	*			trans	-66.6	124.4	172.6	-179.5	0	0	0	0	107.9	G251 D252	V249-G251 WeakPolarHBondContact CG1-O 3.2Å; V249-G251 PolarHBondContact O-N 3.29Å; V249-D252 WeakPolarHBondContact CG1-OD1 3.33Å
250	V	58.2	Low	57	Low	148 Å²	148	113.3 Å²	113.3	90%	0.897	68%	0.675	S	S	*	*	S	Bend	trans	-92.1	95.6	167.9	-175.9	0	0	0	0	106.8	T248	T248-V250 PolarHBondContact O-N 2.82Å
251	G	44.3	Very low	53.9	Low	69 Å²	69	114.6 Å²	114.6	71%	0.711	70%	0.696	S	S	*	*	S	Bend	trans	83.4	107.2	178.3	0	0	0	0	0	113.6	V249	V249-G251 WeakPolarHBondContact CG1-O 3.2Å; V249-G251 PolarHBondContact O-N 3.29Å
252	D	34.8	Very low	51.2	Low	141 Å²	141	126.1 Å²	126.1	75%	0.754	74%	0.735	S	S	*	*			trans	-80.4	139.2	-172.9	-73.8	-42.1	0	0	0	114.6	V249	V249-D252 WeakPolarHBondContact CG1-OD1 3.33Å
253	A	35	Very low	47.9	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	77%	0.774	S	S	*	*				-178.7	143	124.1	0	0	0	0	0	112.6
254	T	29.3	Very low	45.1	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	79%	0.792	S	S	*	*			trans	-117.6	140.2	-162.6	-12.8	0	0	0	0	113.1
255	P	33.1	Very low	42.5	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	79%	0.786	S	S	*	*			trans	-111.2	162.1	176	35.4	-25	0	0	0	115.5
256	Q	29.6	Very low	40.6	Very low	195 Å²	195	135.8 Å²	135.8	91%	0.911	79%	0.792	S	S	*	*			trans	-128	154.5	175.8	-92.5	-163	-10.4	0	0	114.4
257	P	32.6	Very low	38.2	Very low	125 Å²	125	136 Å²	136	81%	0.812	80%	0.801	S	S	*	*			trans	-112.5	163.3	-167.8	37.2	-23.2	0	0	0	115.8
258	S	28.2	Very low	35.9	Very low	129 Å²	129	140.3 Å²	140.3	90%	0.902	82%	0.816	S	S	*	*			trans	-139.5	144.5	175.9	53.8	0	0	0	0	114.4
259	S	28.9	Very low	33.9	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	82%	0.819	S	S	*	*			trans	-145.3	138.6	-178.4	59.6	0	0	0	0	110.8
260	V	28.5	Very low	32.7	Very low	155 Å²	155	147 Å²	147	94%	0.939	83%	0.833	S	S	*	*			trans	-148.2	132.3	164.5	-176.6	0	0	0	0	111.1
261	G	25.7	Very low	31.6	Very low	72 Å²	72	146.1 Å²	146.1	74%	0.742	83%	0.828	S	S	*	*			trans	-107.3	173.4	174.4	0	0	0	0	0	114.4
262	R	27.2	Very low	31.3	Very low	253 Å²	253	151.4 Å²	151.4	96%	0.955	83%	0.834	S	S	*	*			trans	-140.2	136.6	171.8	-95.3	-175.3	177.7	171	0.9	111.6
263	D	22	Very low	31.5	Very low	172 Å²	172	153.2 Å²	153.2	92%	0.92	84%	0.838	S	S	*	*			trans	-92.2	150.7	176.9	-78.3	-44.6	0	0	0	113.3
264	Y	27.3	Very low	31.4	Very low	235 Å²	235	152.8 Å²	152.8	92%	0.922	83%	0.829	S	S	*	*			trans	-142.9	140.6	168.2	-159.3	-95.8	0	0	0	111.8
265	D	29.3	Very low	31.7	Very low	127 Å²	127	154.6 Å²	154.6	68%	0.679	83%	0.834	S	S	*	*			trans	-101	152.9	-160.9	-168.8	2.4	0	0	0	114
266	T	38.7	Very low	31.9	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	81%	0.814	S	S	*	*			trans	-124.5	21.6	-154.3	41.3	0	0	0	0	117.2	K268	T266-K268 PolarHBondContact O-N 3.4Å
267	S	31.3	Very low	32.6	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	81%	0.807	S	S	*	*			trans	-102.2	81	-177.7	74.2	0	0	0	0	116.4
268	K	31.5	Very low	33.2	Very low	197 Å²	197	150 Å²	150	86%	0.857	81%	0.809	S	S	*	*			trans	73.1	142	142.4	-57.9	-178.8	177	-179.6	0	122.6	T266	T266-K268 PolarHBondContact O-N 3.4Å
269	K	30.4	Very low	34.1	Very low	192 Å²	192	145 Å²	145	84%	0.835	78%	0.775	S	S	*	*			trans	-147.7	154	147.1	-95.1	-170.6	-175.7	177.9	0	113.7	T271	K269-T271 PolarHBondContact O-N 3.09Å
270	I	40.1	Very low	34.9	Very low	163 Å²	163	147.1 Å²	147.1	84%	0.836	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	72.5	-163.9	-59.9	158.5	0	0	0	113.6
271	T	36	Very low	36	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.1	0.3	162.8	42.5	0	0	0	0	113.5	K269 Q273	K269-T271 PolarHBondContact O-N 3.09Å; T271-Q273 PolarHBondContact O-N 3.41Å
272	E	38.7	Very low	37.2	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	74%	0.735	S	S	*	*			trans	-74.2	20	177.5	-64.9	-175.8	150.4	0	0	114.4
273	Q	37.2	Very low	38.2	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	72%	0.719	S	S	*	*			trans	-133.1	74.7	-178.2	-66.8	-174.1	-10.3	0	0	111	T271	T271-Q273 PolarHBondContact O-N 3.41Å
274	S	33.5	Very low	39.8	Very low	90 Å²	90	130 Å²	130	63%	0.629	70%	0.695	S	S	*	*			trans	-166.8	107.7	148.6	40.5	0	0	0	0	111	A279	S274-A279 WeakPolarHBondContact O-CB 3.38Å
275	D	35.1	Very low	41.4	Very low	179 Å²	179	124.7 Å²	124.7	96%	0.957	68%	0.68	S	S	*	*			trans	-76.7	120	174.8	-83.6	-42.4	0	0	0	111
276	G	37.4	Very low	42.6	Very low	38 Å²	38	120.4 Å²	120.4	39%	0.392	67%	0.666	S	S	.	*	S	Bend	trans	-176	152.8	171	0	0	0	0	0	111.9	L278 A279 K280	G276-L278 PolarHBondContact O-N 2.56Å; G276-L278 VanDerWaalsContact O-N 3.16Å; G276-A279 CarbonylContact O-C 3.57Å; G276-A279 VanDerWaalsContact O-CA 3.29Å; G276-A279 WeakPolarHBondContact O-CA 3.48Å; G276-A279 VanDerWaalsContact O-CB 3.23Å; G276-A279 WeakPolarHBondContact O-CB 3.2Å; G276-A279 PolarHBondContact O-N 3.23Å; G276-K280 PolarHBondContact O-N 3.24Å
277	L	45.2	Very low	43.7	Very low	149 Å²	149	117.2 Å²	117.2	78%	0.78	65%	0.649	S	S	*	*	H	α-helix	trans	-54.9	-33.6	175.3	-159.3	99.5	0	0	0	111.5	A279 K280 V281	L277-A279 VanDerWaalsContact C-N 3.35Å; L277-K280 PolarHBondContact O-N 3.22Å; L277-V281 WeakPolarHBondContact O-CG2 3.23Å; L277-V281 PolarHBondContact O-N 2.84Å
278	L	44.6	Very low	45.5	Very low	161 Å²	161	114 Å²	114	84%	0.843	63%	0.629	S	S	*	*	H	α-helix	trans	-63.5	-33.7	169.4	-101.8	130.8	0	0	0	113.3	G276 G282	G276-L278 PolarHBondContact O-N 2.56Å; G276-L278 VanDerWaalsContact O-N 3.16Å; L278-G282 WeakPolarHBondContact O-CA 3.21Å; L278-G282 PolarHBondContact O-N 3.47Å
279	A	48.7	Very low	47.4	Very low	23 Å²	23	108.9 Å²	108.9	19%	0.19	61%	0.614	C	S	.	*	H	α-helix	trans	-73.7	-33.2	173.9	0	0	0	0	0	112.1	S274 G276 L277 M283	S274-A279 WeakPolarHBondContact O-CB 3.38Å; G276-A279 CarbonylContact O-C 3.57Å; G276-A279 VanDerWaalsContact O-CA 3.29Å; G276-A279 WeakPolarHBondContact O-CA 3.48Å; G276-A279 VanDerWaalsContact O-CB 3.23Å; G276-A279 WeakPolarHBondContact O-CB 3.2Å; G276-A279 PolarHBondContact O-N 3.23Å; L277-A279 VanDerWaalsContact C-N 3.35Å; A279-M283 HydrophobicContact CB-CE 4.09Å; A279-M283 WeakPolarHBondContact O-CA 3.41Å; A279-M283 WeakPolarHBondContact O-CB 3.48Å; A279-M283 VanDerWaalsContact O-CE 3.25Å; A279-M283 WeakPolarHBondContact O-CE 3.21Å; A279-M283 WeakPolarHBondContact O-CG 3.29Å; A279-M283 PolarHBondContact O-N 3.16Å
280	K	45.4	Very low	49.4	Very low	161 Å²	161	102.4 Å²	102.4	70%	0.7	60%	0.596	S	S	*	*	H	α-helix	trans	-70.9	-42.8	172.7	-79	-174.8	178.6	177.8	0	112.7	G276 L277 G282 M283 G284	G276-K280 PolarHBondContact O-N 3.24Å; L277-K280 PolarHBondContact O-N 3.22Å; K280-G282 VanDerWaalsContact C-N 3.34Å; K280-M283 HydrophobicContact CG-CE 4.34Å; K280-G284 PolarHBondContact O-N 3.45Å
281	V	50.8	Low	51	Low	85 Å²	85	96.1 Å²	96.1	52%	0.515	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-41.5	172	176.5	0	0	0	0	109.9	L277 G284 M285	L277-V281 WeakPolarHBondContact O-CG2 3.23Å; L277-V281 PolarHBondContact O-N 2.84Å; V281-G284 PolarHBondContact O-N 2.68Å; V281-M285 HydrophobicContact CG1-CG 4.23Å; V281-M285 HydrophobicContact CG1-SD 3.81Å; V281-M285 VanDerWaalsContact O-CB 3.25Å; V281-M285 WeakPolarHBondContact O-CB 3.49Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.32Å; V281-M285 PolarHBondContact O-N 2.88Å
282	G	51	Low	53	Low	42 Å²	42	94.1 Å²	94.1	43%	0.433	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-36.6	175.5	0	0	0	0	0	114.4	L278 K280 G286	L278-G282 WeakPolarHBondContact O-CA 3.21Å; L278-G282 PolarHBondContact O-N 3.47Å; K280-G282 VanDerWaalsContact C-N 3.34Å; G282-G286 VanDerWaalsContact O-CA 3.31Å; G282-G286 WeakPolarHBondContact O-CA 2.84Å; G282-G286 PolarHBondContact O-N 2.82Å
283	M	48.3	Very low	54.7	Low	123 Å²	123	91.5 Å²	91.5	61%	0.606	54%	0.535	S	S	*	.	H	α-helix	trans	-72.4	-39.9	173.3	-80.7	-177.3	-83.4	0	0	111.3	A279 K280 S287	A279-M283 HydrophobicContact CB-CE 4.09Å; A279-M283 WeakPolarHBondContact O-CA 3.41Å; A279-M283 WeakPolarHBondContact O-CB 3.48Å; A279-M283 VanDerWaalsContact O-CE 3.25Å; A279-M283 WeakPolarHBondContact O-CE 3.21Å; A279-M283 WeakPolarHBondContact O-CG 3.29Å; A279-M283 PolarHBondContact O-N 3.16Å; K280-M283 HydrophobicContact CG-CE 4.34Å; M283-S287 WeakPolarHBondContact O-CB 3.12Å; M283-S287 PolarHBondContact O-N 3.22Å
284	G	55.1	Low	56.5	Low	42 Å²	42	86.8 Å²	86.8	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-66.7	-46.3	175.3	0	0	0	0	0	112.4	K280 V281 A288	K280-G284 PolarHBondContact O-N 3.45Å; V281-G284 PolarHBondContact O-N 2.68Å; G284-A288 WeakPolarHBondContact O-CB 3.42Å; G284-A288 PolarHBondContact O-N 2.93Å
285	M	60.7	Low	58.5	Low	123 Å²	123	82.5 Å²	82.5	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-41.3	173	-71.4	-178.3	70.2	0	0	111.3	V281 A288 V289	V281-M285 HydrophobicContact CG1-CG 4.23Å; V281-M285 HydrophobicContact CG1-SD 3.81Å; V281-M285 VanDerWaalsContact O-CB 3.25Å; V281-M285 WeakPolarHBondContact O-CB 3.49Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.32Å; V281-M285 PolarHBondContact O-N 2.88Å; M285-A288 PolarHBondContact O-N 3.42Å; M285-V289 VanDerWaalsContact O-CB 3.32Å; M285-V289 WeakPolarHBondContact O-CB 3.27Å; M285-V289 WeakPolarHBondContact O-CG2 3.39Å; M285-V289 PolarHBondContact O-N 3.48Å
286	G	56.1	Low	60.5	Low	37 Å²	37	74.8 Å²	74.8	38%	0.381	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-40.4	177.2	0	0	0	0	0	112.7	G282 A290	G282-G286 VanDerWaalsContact O-CA 3.31Å; G282-G286 WeakPolarHBondContact O-CA 2.84Å; G282-G286 PolarHBondContact O-N 2.82Å; G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.21Å
287	S	61	Low	62.4	Low	69 Å²	69	80 Å²	80	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-62.5	-48.9	171	169.3	0	0	0	0	111.3	M283 V289 A290 V291	M283-S287 WeakPolarHBondContact O-CB 3.12Å; M283-S287 PolarHBondContact O-N 3.22Å; S287-V289 PolarHBondContact O-N 3.28Å; S287-A290 PolarHBondContact O-N 3.4Å; S287-V291 VanDerWaalsContact O-CG2 3.31Å; S287-V291 WeakPolarHBondContact O-CG2 3.33Å; S287-V291 PolarHBondContact O-N 3.43Å
288	A	68.3	Low	63.8	Low	32 Å²	32	75.7 Å²	75.7	26%	0.264	43%	0.432	S	S	.	.	H	α-helix	trans	-63.3	-41.9	179.2	0	0	0	0	0	111.7	F47 G284 M285 V291 L292	F47-A288 HydrophobicContact CZ-CB 4.48Å; G284-A288 WeakPolarHBondContact O-CB 3.42Å; G284-A288 PolarHBondContact O-N 2.93Å; M285-A288 PolarHBondContact O-N 3.42Å; A288-V291 PolarHBondContact O-N 2.8Å; A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 3.25Å
289	V	72.6	Confident	65.4	Low	90 Å²	90	68 Å²	68	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-66.1	-40.3	174.6	172	0	0	0	0	110.9	M285 S287 L292 F293	M285-V289 VanDerWaalsContact O-CB 3.32Å; M285-V289 WeakPolarHBondContact O-CB 3.27Å; M285-V289 WeakPolarHBondContact O-CG2 3.39Å; M285-V289 PolarHBondContact O-N 3.48Å; S287-V289 PolarHBondContact O-N 3.28Å; V289-L292 PolarHBondContact O-N 3.29Å; V289-F293 WeakPolarHBondContact O-CB 3.28Å; V289-F293 PolarHBondContact O-N 3.14Å
290	A	71.1	Confident	67.1	Low	56 Å²	56	70.8 Å²	70.8	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-41.8	175.7	0	0	0	0	0	111.7	G286 S287 F293 Q294	G286-A290 WeakPolarHBondContact O-CB 3.46Å; G286-A290 PolarHBondContact O-N 3.21Å; S287-A290 PolarHBondContact O-N 3.4Å; A290-F293 PolarHBondContact O-N 3.2Å; A290-Q294 WeakPolarHBondContact O-CB 3.1Å; A290-Q294 PolarHBondContact O-N 3.46Å
291	V	75.1	Confident	68.4	Low	31 Å²	31	66.6 Å²	66.6	19%	0.188	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-48.2	173.9	169.8	0	0	0	0	110.5	A43 N46 F47 S287 A288 F293 Q294 S295	A43-V291 HydrophobicContact CB-CG1 4.32Å; N46-V291 HydrophobicContact CB-CG1 3.76Å; F47-V291 HydrophobicContact CD2-CG1 4.46Å; F47-V291 HydrophobicContact CE2-CG1 4.13Å; F47-V291 HydrophobicContact CZ-CB 4.47Å; F47-V291 HydrophobicContact CZ-CG1 4.16Å; S287-V291 VanDerWaalsContact O-CG2 3.31Å; S287-V291 WeakPolarHBondContact O-CG2 3.33Å; S287-V291 PolarHBondContact O-N 3.43Å; A288-V291 PolarHBondContact O-N 2.8Å; V291-F293 VanDerWaalsContact C-N 3.34Å; V291-F293 PolarHBondContact O-N 3.28Å; V291-Q294 PolarHBondContact O-N 3.46Å; V291-S295 WeakPolarHBondContact O-CB 3.27Å; V291-S295 PolarHBondContact O-N 3.26Å; V291-S295 PolarHBondContact O-OG 3.49Å
292	L	76.6	Confident	69.3	Low	86 Å²	86	65.2 Å²	65.2	45%	0.45	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-39.9	177.2	-73.6	169.7	0	0	0	112.1	A43 A288 V289 G296	A43-L292 HydrophobicContact CB-CD2 3.82Å; A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 3.25Å; V289-L292 PolarHBondContact O-N 3.29Å; L292-G296 PolarHBondContact O-N 3.09Å
293	F	75.1	Confident	70.5	Confident	126 Å²	126	63.6 Å²	63.6	55%	0.553	36%	0.361	S	S	*	.	H	α-helix	trans	-69.2	-42.8	178.8	-166.8	-111.6	0	0	0	111.9	V289 A290 V291 G296 R297	V289-F293 WeakPolarHBondContact O-CB 3.28Å; V289-F293 PolarHBondContact O-N 3.14Å; A290-F293 PolarHBondContact O-N 3.2Å; V291-F293 VanDerWaalsContact C-N 3.34Å; V291-F293 PolarHBondContact O-N 3.28Å; F293-G296 CarbonylContact O-C 3.58Å; F293-G296 WeakPolarHBondContact O-CA 3.03Å; F293-G296 PolarHBondContact O-N 3.2Å; F293-R297 VanDerWaalsContact CE1-NH2 3.3Å; F293-R297 PolarHBondContact O-N 3.04Å
294	Q	74.5	Confident	71.8	Confident	79 Å²	79	62.6 Å²	62.6	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175	-171.4	58.4	44.8	0	0	110.6	A290 V291 G296 R297 D298	A290-Q294 WeakPolarHBondContact O-CB 3.1Å; A290-Q294 PolarHBondContact O-N 3.46Å; V291-Q294 PolarHBondContact O-N 3.46Å; Q294-G296 PolarHBondContact O-N 3.11Å; Q294-R297 WeakPolarHBondContact O-CA 3.34Å; Q294-R297 WeakPolarHBondContact O-CB 3.27Å; Q294-R297 PolarHBondContact O-N 3.21Å; Q294-D298 PolarHBondContact NE2-OD1 2.98Å; Q294-D298 PolarHBondContact O-N 3.39Å
295	S	75.7	Confident	72.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.8	-36.1	172.7	-56.8	0	0	0	0	111.6	N42 A43 N46 V291 T299	N42-S295 VanDerWaalsContact C-OG 3.28Å; A43-S295 WeakPolarHBondContact CA-OG 3.49Å; A43-S295 PolarHBondContact N-OG 3.23Å; A43-S295 VanDerWaalsContact N-OG 3.08Å; N46-S295 PolarHBondContact ND2-OG 3.49Å; V291-S295 WeakPolarHBondContact O-CB 3.27Å; V291-S295 PolarHBondContact O-N 3.26Å; V291-S295 PolarHBondContact O-OG 3.49Å; S295-T299 VanDerWaalsContact O-CB 3.25Å; S295-T299 WeakPolarHBondContact O-CB 3.3Å; S295-T299 PolarHBondContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 3.06Å
296	G	78.4	Confident	72.4	Confident	17 Å²	17	65.3 Å²	65.3	18%	0.175	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-53.1	168	0	0	0	0	0	112.9	L292 F293 Q294 T299 I300	L292-G296 PolarHBondContact O-N 3.09Å; F293-G296 CarbonylContact O-C 3.58Å; F293-G296 WeakPolarHBondContact O-CA 3.03Å; F293-G296 PolarHBondContact O-N 3.2Å; Q294-G296 PolarHBondContact O-N 3.11Å; G296-T299 WeakPolarHBondContact O-CB 3.23Å; G296-T299 PolarHBondContact O-N 3.27Å; G296-I300 WeakPolarHBondContact O-CG1 3.37Å; G296-I300 PolarHBondContact O-N 3.25Å
297	R	76.5	Confident	73.1	Confident	149 Å²	149	64.7 Å²	64.7	56%	0.562	35%	0.349	S	S	*	.	H	α-helix	trans	-60.8	-46.7	178.5	-67.2	-172.8	-162.9	-175.6	10.1	112.2	F293 Q294 T299 I300 D301	F293-R297 VanDerWaalsContact CE1-NH2 3.3Å; F293-R297 PolarHBondContact O-N 3.04Å; Q294-R297 WeakPolarHBondContact O-CA 3.34Å; Q294-R297 WeakPolarHBondContact O-CB 3.27Å; Q294-R297 PolarHBondContact O-N 3.21Å; R297-T299 VanDerWaalsContact C-N 3.28Å; R297-T299 PolarHBondContact O-N 3.1Å; R297-I300 PolarHBondContact O-N 3.05Å; R297-D301 WeakPolarHBondContact O-CB 3.5Å; R297-D301 PolarHBondContact O-N 3.49Å
298	D	75.1	Confident	74	Confident	58 Å²	58	63.6 Å²	63.6	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-37.9	-179.6	-58.7	-20.2	0	0	0	110.7	Q294 D301 T302	Q294-D298 PolarHBondContact NE2-OD1 2.98Å; Q294-D298 PolarHBondContact O-N 3.39Å; D298-D301 PolarHBondContact O-N 3.35Å; D298-T302 WeakPolarHBondContact O-CB 3.47Å; D298-T302 PolarHBondContact O-N 2.97Å; D298-T302 PolarHBondContact O-OG1 3.28Å
299	T	76.7	Confident	74.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-48.3	173.7	-59.9	0	0	0	0	111.5	I35 L38 V39 N42 S295 G296 R297 D301 T302 V303	I35-T299 HydrophobicContact CG2-CG2 4.34Å; L38-T299 HydrophobicContact CB-CG2 3.44Å; L38-T299 VanDerWaalsContact CB-CG2 3.44Å; L38-T299 HydrophobicContact CD1-CG2 4.15Å; L38-T299 HydrophobicContact CG-CG2 4.46Å; L38-T299 PolarHBondContact O-OG1 2.98Å; V39-T299 WeakPolarHBondContact CA-OG1 3.1Å; V39-T299 HydrophobicContact CG2-CG2 3.98Å; V39-T299 PolarHBondContact N-OG1 3.23Å; N42-T299 PolarHBondContact ND2-OG1 2.78Å; S295-T299 VanDerWaalsContact O-CB 3.25Å; S295-T299 WeakPolarHBondContact O-CB 3.3Å; S295-T299 PolarHBondContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 3.06Å; G296-T299 WeakPolarHBondContact O-CB 3.23Å; G296-T299 PolarHBondContact O-N 3.27Å; R297-T299 VanDerWaalsContact C-N 3.28Å; R297-T299 PolarHBondContact O-N 3.1Å; T299-D301 VanDerWaalsContact C-N 3.31Å; T299-D301 PolarHBondContact O-N 3.27Å; T299-T302 WeakPolarHBondContact O-CB 3.29Å; T299-T302 PolarHBondContact O-N 3.38Å; T299-V303 HydrophobicContact CG2-CG2 4.37Å; T299-V303 WeakPolarHBondContact O-CG2 3.48Å; T299-V303 PolarHBondContact O-N 2.99Å
300	I	84.2	Confident	74	Confident	81 Å²	81	64.8 Å²	64.8	42%	0.415	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-39.6	178.4	-66.3	-61	0	0	0	110.9	I35 G296 R297 V303 L304	I35-I300 HydrophobicContact CG2-CD1 4.47Å; G296-I300 WeakPolarHBondContact O-CG1 3.37Å; G296-I300 PolarHBondContact O-N 3.25Å; R297-I300 PolarHBondContact O-N 3.05Å; I300-V303 PolarHBondContact O-N 3.08Å; I300-L304 HydrophobicContact CG2-CD1 3.77Å; I300-L304 HydrophobicContact CG2-CG 4.32Å; I300-L304 WeakPolarHBondContact O-CB 3.39Å; I300-L304 VanDerWaalsContact O-CG 3.32Å; I300-L304 WeakPolarHBondContact O-CG 2.92Å; I300-L304 PolarHBondContact O-N 2.89Å
301	D	74.5	Confident	74.1	Confident	72 Å²	72	62.5 Å²	62.5	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176	-163.1	56.6	0	0	0	111.6	R297 D298 T299 V303 L304 K305	R297-D301 WeakPolarHBondContact O-CB 3.5Å; R297-D301 PolarHBondContact O-N 3.49Å; D298-D301 PolarHBondContact O-N 3.35Å; T299-D301 VanDerWaalsContact C-N 3.31Å; T299-D301 PolarHBondContact O-N 3.27Å; D301-V303 VanDerWaalsContact C-N 3.35Å; D301-V303 PolarHBondContact O-N 2.77Å; D301-L304 PolarHBondContact O-N 3.33Å; D301-K305 WeakPolarHBondContact O-CB 3.37Å; D301-K305 WeakPolarHBondContact O-CG 3.19Å; D301-K305 PolarHBondContact O-N 3.08Å; D301-K305 WeakPolarHBondContact OD1-CE 3.26Å; D301-K305 IonicContact OD1-NZ 3.39Å; D301-K305 PolarHBondContact OD1-NZ 2.84Å; D301-K305 WeakPolarHBondContact OD2-CE 3.28Å; D301-K305 IonicContact OD2-NZ 2.79Å; D301-K305 PolarHBondContact OD2-NZ 3.24Å
302	T	69.8	Low	74.3	Confident	57 Å²	57	63.2 Å²	63.2	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-44.3	174.4	-56.7	0	0	0	0	111.4	D298 T299 T306 I307	D298-T302 WeakPolarHBondContact O-CB 3.47Å; D298-T302 PolarHBondContact O-N 2.97Å; D298-T302 PolarHBondContact O-OG1 3.28Å; T299-T302 WeakPolarHBondContact O-CB 3.29Å; T299-T302 PolarHBondContact O-N 3.38Å; T302-T306 WeakPolarHBondContact O-CA 3.45Å; T302-T306 VanDerWaalsContact O-CB 3.24Å; T302-T306 WeakPolarHBondContact O-CB 3.22Å; T302-T306 PolarHBondContact O-N 2.77Å; T302-T306 PolarHBondContact O-OG1 3.08Å; T302-I307 HydrophobicContact CG2-CD1 4.48Å; T302-I307 PolarHBondContact O-N 3.42Å
303	V	75.8	Confident	74.1	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.042	33%	0.328	C	S	.	.	I	π-helix	trans	-61.2	-46.8	177.9	168.3	0	0	0	0	111.1	L31 I35 T299 I300 D301 I307 L308	L31-V303 HydrophobicContact CD1-CG1 3.91Å; L31-V303 HydrophobicContact CD1-CG2 4.44Å; I35-V303 HydrophobicContact CG1-CG2 3.88Å; T299-V303 HydrophobicContact CG2-CG2 4.37Å; T299-V303 WeakPolarHBondContact O-CG2 3.48Å; T299-V303 PolarHBondContact O-N 2.99Å; I300-V303 PolarHBondContact O-N 3.08Å; D301-V303 VanDerWaalsContact C-N 3.35Å; D301-V303 PolarHBondContact O-N 2.77Å; V303-I307 HydrophobicContact CG2-CD1 3.89Å; V303-I307 PolarHBondContact O-N 3.27Å; V303-L308 HydrophobicContact CG1-CD1 4.17Å; V303-L308 HydrophobicContact CG1-CG 4.07Å; V303-L308 WeakPolarHBondContact O-CB 3.23Å; V303-L308 PolarHBondContact O-N 3.18Å
304	L	75.8	Confident	73.5	Confident	102 Å²	102	59.6 Å²	59.6	53%	0.534	31%	0.307	S	S	.	.	I	π-helix	trans	-72.3	-40.7	-176.5	-72	170.7	0	0	0	113.1	I300 D301 L308 P309	I300-L304 HydrophobicContact CG2-CD1 3.77Å; I300-L304 HydrophobicContact CG2-CG 4.32Å; I300-L304 WeakPolarHBondContact O-CB 3.39Å; I300-L304 VanDerWaalsContact O-CG 3.32Å; I300-L304 WeakPolarHBondContact O-CG 2.92Å; I300-L304 PolarHBondContact O-N 2.89Å; D301-L304 PolarHBondContact O-N 3.33Å; L304-L308 HydrophobicContact CD2-CD1 3.81Å; L304-P309 VanDerWaalsContact O-CD 3.28Å; L304-P309 WeakPolarHBondContact O-CD 3.49Å
305	K	70.4	Confident	73.4	Confident	141 Å²	141	56 Å²	56	61%	0.613	29%	0.29	S	S	*	.	I	π-helix	trans	-86.5	-24.2	-175	-69.2	178.4	179	159.1	0	113.9	D301	D301-K305 WeakPolarHBondContact O-CB 3.37Å; D301-K305 WeakPolarHBondContact O-CG 3.19Å; D301-K305 PolarHBondContact O-N 3.08Å; D301-K305 WeakPolarHBondContact OD1-CE 3.26Å; D301-K305 IonicContact OD1-NZ 3.39Å; D301-K305 PolarHBondContact OD1-NZ 2.84Å; D301-K305 WeakPolarHBondContact OD2-CE 3.28Å; D301-K305 IonicContact OD2-NZ 2.79Å; D301-K305 PolarHBondContact OD2-NZ 3.24Å
306	T	56.8	Low	73.5	Confident	81 Å²	81	58.4 Å²	58.4	50%	0.497	31%	0.31	S	S	.	.	I	π-helix	trans	-124.8	-54.7	-169.8	-43.2	0	0	0	0	111.7	T302 F310	T302-T306 WeakPolarHBondContact O-CA 3.45Å; T302-T306 VanDerWaalsContact O-CB 3.24Å; T302-T306 WeakPolarHBondContact O-CB 3.22Å; T302-T306 PolarHBondContact O-N 2.77Å; T302-T306 PolarHBondContact O-OG1 3.08Å; T306-F310 WeakPolarHBondContact O-CB 2.98Å; T306-F310 PolarHBondContact O-N 3.27Å
307	I	70.8	Confident	72.9	Confident	25 Å²	25	59 Å²	59	13%	0.128	31%	0.309	C	S	.	.	I	π-helix	trans	-73.8	-48.3	-169.8	-55.7	-179.4	0	0	0	111.8	L31 L38 T302 V303 F310 M311	L31-I307 HydrophobicContact CD1-CG2 4Å; L38-I307 HydrophobicContact CD1-CD1 3.74Å; T302-I307 HydrophobicContact CG2-CD1 4.48Å; T302-I307 PolarHBondContact O-N 3.42Å; V303-I307 HydrophobicContact CG2-CD1 3.89Å; V303-I307 PolarHBondContact O-N 3.27Å; I307-F310 PolarHBondContact O-N 3.37Å; I307-M311 HydrophobicContact CG2-CE 3.69Å; I307-M311 HydrophobicContact CG2-CG 4.31Å; I307-M311 HydrophobicContact CG2-SD 4.03Å; I307-M311 WeakPolarHBondContact O-CB 3.45Å; I307-M311 VanDerWaalsContact O-CG 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.37Å; I307-M311 PolarHBondContact O-N 2.9Å
308	L	80.6	Confident	72.4	Confident	45 Å²	45	52.3 Å²	52.3	24%	0.236	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-46.1	-178.9	-78.1	175.3	0	0	0	113.1	F23 V27 L31 V303 L304 F310 M311 A312	F23-L308 HydrophobicContact CZ-CD2 4.16Å; V27-L308 HydrophobicContact CG2-CD2 4.11Å; L31-L308 HydrophobicContact CD2-CD2 3.86Å; V303-L308 HydrophobicContact CG1-CD1 4.17Å; V303-L308 HydrophobicContact CG1-CG 4.07Å; V303-L308 WeakPolarHBondContact O-CB 3.23Å; V303-L308 PolarHBondContact O-N 3.18Å; L304-L308 HydrophobicContact CD2-CD1 3.81Å; L308-F310 VanDerWaalsContact C-N 3.3Å; L308-F310 PolarHBondContact O-N 3.4Å; L308-M311 PolarHBondContact O-N 3.04Å; L308-A312 WeakPolarHBondContact O-CB 3.22Å; L308-A312 PolarHBondContact O-N 3.39Å
309	P	73.5	Confident	72.2	Confident	67 Å²	67	49.5 Å²	49.5	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-41.8	173.7	-26.5	36.3	0	0	0	112.5	L304 A312 F313	L304-P309 VanDerWaalsContact O-CD 3.28Å; L304-P309 WeakPolarHBondContact O-CD 3.49Å; P309-A312 PolarHBondContact O-N 3.29Å; P309-F313 PolarHBondContact O-N 2.93Å
310	F	68	Low	71.9	Confident	81 Å²	81	53.2 Å²	53.2	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-45.6	176.6	-176.8	-100.4	0	0	0	112.1	T306 I307 L308 A312 F313 V314	T306-F310 WeakPolarHBondContact O-CB 2.98Å; T306-F310 PolarHBondContact O-N 3.27Å; I307-F310 PolarHBondContact O-N 3.37Å; L308-F310 VanDerWaalsContact C-N 3.3Å; L308-F310 PolarHBondContact O-N 3.4Å; F310-A312 VanDerWaalsContact C-N 3.28Å; F310-A312 PolarHBondContact O-N 3.15Å; F310-F313 PolarHBondContact O-N 3.07Å; F310-V314 HydrophobicContact CD1-CG2 4.11Å; F310-V314 HydrophobicContact CD2-CG2 4.42Å; F310-V314 HydrophobicContact CE1-CG2 3.67Å; F310-V314 HydrophobicContact CE2-CG2 4.02Å; F310-V314 HydrophobicContact CG-CG2 4.46Å; F310-V314 HydrophobicContact CZ-CG2 3.63Å; F310-V314 WeakPolarHBondContact O-CG2 3.39Å; F310-V314 PolarHBondContact O-N 2.83Å
311	M	73.3	Confident	71.1	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-41.3	173.6	-77.7	-180	172.8	0	0	111.6	F23 M26 I30 L31 L34 I307 L308 S315	F23-M311 HydrophobicContact CD2-CB 4.15Å; F23-M311 HydrophobicContact CE2-CB 3.93Å; M26-M311 HydrophobicContact CB-CE 4.25Å; M26-M311 HydrophobicContact CB-CG 4.46Å; M26-M311 HydrophobicContact CB-SD 4.03Å; M26-M311 HydrophobicContact CE-CB 3.89Å; M26-M311 HydrophobicContact CE-CG 4.14Å; M26-M311 VanDerWaalsContact CE-O 3.32Å; M26-M311 WeakPolarHBondContact CE-O 3.24Å; M26-M311 HydrophobicContact SD-CG 4.13Å; I30-M311 HydrophobicContact CG2-CE 3.76Å; L31-M311 HydrophobicContact CB-CE 4.28Å; L31-M311 HydrophobicContact CD1-CE 4.13Å; L31-M311 HydrophobicContact CD1-SD 4.42Å; L34-M311 HydrophobicContact CD1-CE 4.33Å; I307-M311 HydrophobicContact CG2-CE 3.69Å; I307-M311 HydrophobicContact CG2-CG 4.31Å; I307-M311 HydrophobicContact CG2-SD 4.03Å; I307-M311 WeakPolarHBondContact O-CB 3.45Å; I307-M311 VanDerWaalsContact O-CG 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.37Å; I307-M311 PolarHBondContact O-N 2.9Å; L308-M311 PolarHBondContact O-N 3.04Å; M311-S315 VanDerWaalsContact O-CB 3.26Å; M311-S315 WeakPolarHBondContact O-CB 3.42Å; M311-S315 PolarHBondContact O-N 3.37Å; M311-S315 PolarHBondContact O-OG 3.17Å
312	A	77.6	Confident	70.8	Confident	45 Å²	45	51.7 Å²	51.7	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-45.8	177.8	0	0	0	0	0	111.7	F23 L308 P309 F310 S315 A316	F23-A312 HydrophobicContact CD2-CB 4.2Å; F23-A312 HydrophobicContact CE2-CB 3.86Å; L308-A312 WeakPolarHBondContact O-CB 3.22Å; L308-A312 PolarHBondContact O-N 3.39Å; P309-A312 PolarHBondContact O-N 3.29Å; F310-A312 VanDerWaalsContact C-N 3.28Å; F310-A312 PolarHBondContact O-N 3.15Å; A312-S315 PolarHBondContact O-N 3.33Å; A312-A316 PolarHBondContact O-N 2.93Å
313	F	73.7	Confident	70.9	Confident	119 Å²	119	50.2 Å²	50.2	52%	0.522	27%	0.273	S	S	.	.	H	α-helix	trans	-59.7	-50.5	176.3	175.4	-106.5	0	0	0	112.2	P309 F310 S315 A316 L317	P309-F313 PolarHBondContact O-N 2.93Å; F310-F313 PolarHBondContact O-N 3.07Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 3.48Å; F313-A316 PolarHBondContact O-N 2.9Å; F313-L317 HydrophobicContact CD1-CD1 4.18Å; F313-L317 HydrophobicContact CE1-CD1 3.55Å; F313-L317 HydrophobicContact CE1-CG 4.5Å; F313-L317 HydrophobicContact CE2-CD1 4.24Å; F313-L317 HydrophobicContact CE2-CG 4.48Å; F313-L317 HydrophobicContact CZ-CD1 3.59Å; F313-L317 HydrophobicContact CZ-CG 4.29Å; F313-L317 PolarHBondContact O-N 3.49Å; F313-L317 VanDerWaalsContact O-N 3.1Å
314	V	63.1	Low	70.8	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-40.2	178.3	172.4	0	0	0	0	111.2	F310 A316 L317 I318	F310-V314 HydrophobicContact CD1-CG2 4.11Å; F310-V314 HydrophobicContact CD2-CG2 4.42Å; F310-V314 HydrophobicContact CE1-CG2 3.67Å; F310-V314 HydrophobicContact CE2-CG2 4.02Å; F310-V314 HydrophobicContact CG-CG2 4.46Å; F310-V314 HydrophobicContact CZ-CG2 3.63Å; F310-V314 WeakPolarHBondContact O-CG2 3.39Å; F310-V314 PolarHBondContact O-N 2.83Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.46Å; V314-L317 PolarHBondContact O-N 2.8Å; V314-I318 HydrophobicContact CG1-CD1 3.59Å; V314-I318 HydrophobicContact CG1-CG1 4.25Å; V314-I318 WeakPolarHBondContact O-CB 3.16Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.37Å; V314-I318 PolarHBondContact O-N 2.95Å
315	S	72.2	Confident	70.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-38.6	176.5	-57.3	0	0	0	0	112.7	G19 F23 M26 M311 A312 F313 G319	G19-S315 WeakPolarHBondContact CA-O 3.36Å; G19-S315 WeakPolarHBondContact O-CB 3.46Å; F23-S315 WeakPolarHBondContact CA-OG 3.21Å; F23-S315 WeakPolarHBondContact CB-OG 3.24Å; F23-S315 PolarHBondContact N-OG 2.79Å; M26-S315 WeakPolarHBondContact CE-OG 3.46Å; M311-S315 VanDerWaalsContact O-CB 3.26Å; M311-S315 WeakPolarHBondContact O-CB 3.42Å; M311-S315 PolarHBondContact O-N 3.37Å; M311-S315 PolarHBondContact O-OG 3.17Å; A312-S315 PolarHBondContact O-N 3.33Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 3.48Å; S315-G319 PolarHBondContact O-N 3.36Å
316	A	76.2	Confident	70.4	Confident	51 Å²	51	45.4 Å²	45.4	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-45.8	176.8	0	0	0	0	0	111.1	A312 F313 V314 G319 I320	A312-A316 PolarHBondContact O-N 2.93Å; F313-A316 PolarHBondContact O-N 2.9Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.46Å; A316-G319 PolarHBondContact O-N 2.91Å; A316-I320 WeakPolarHBondContact O-CG1 3.49Å; A316-I320 PolarHBondContact O-N 3.25Å
317	L	65.9	Low	70.8	Confident	29 Å²	29	42 Å²	42	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-49.9	175.6	-71.6	177.9	0	0	0	111.8	F313 V314 G319 I320 I321	F313-L317 HydrophobicContact CD1-CD1 4.18Å; F313-L317 HydrophobicContact CE1-CD1 3.55Å; F313-L317 HydrophobicContact CE1-CG 4.5Å; F313-L317 HydrophobicContact CE2-CD1 4.24Å; F313-L317 HydrophobicContact CE2-CG 4.48Å; F313-L317 HydrophobicContact CZ-CD1 3.59Å; F313-L317 HydrophobicContact CZ-CG 4.29Å; F313-L317 PolarHBondContact O-N 3.49Å; F313-L317 VanDerWaalsContact O-N 3.1Å; V314-L317 PolarHBondContact O-N 2.8Å; L317-G319 VanDerWaalsContact C-N 3.28Å; L317-G319 PolarHBondContact O-N 3.35Å; L317-I320 PolarHBondContact O-N 3.42Å; L317-I321 WeakPolarHBondContact O-CB 3.36Å; L317-I321 WeakPolarHBondContact O-CD1 3.17Å; L317-I321 WeakPolarHBondContact O-CG1 3.5Å; L317-I321 PolarHBondContact O-N 3.39Å
318	I	65.7	Low	70.7	Confident	9 Å²	9	46 Å²	46	5%	0.046	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.3	-66	171.2	0	0	0	110.4	V22 V314 I321 M322 V365	V22-I318 HydrophobicContact CG1-CB 4.34Å; V22-I318 HydrophobicContact CG1-CD1 4.18Å; V22-I318 HydrophobicContact CG1-CG2 4.21Å; V22-I318 HydrophobicContact CG2-CG2 3.84Å; V314-I318 HydrophobicContact CG1-CD1 3.59Å; V314-I318 HydrophobicContact CG1-CG1 4.25Å; V314-I318 WeakPolarHBondContact O-CB 3.16Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.37Å; V314-I318 PolarHBondContact O-N 2.95Å; I318-I321 PolarHBondContact O-N 2.97Å; I318-M322 HydrophobicContact CG2-CG 4.11Å; I318-M322 HydrophobicContact CG2-SD 3.71Å; I318-M322 WeakPolarHBondContact O-CB 3.14Å; I318-M322 VanDerWaalsContact O-CG 3.27Å; I318-M322 WeakPolarHBondContact O-CG 3.22Å; I318-M322 PolarHBondContact O-N 3.3Å; I318-V365 HydrophobicContact CG1-CG2 4.35Å
319	G	72.6	Confident	70.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-48.1	176.5	0	0	0	0	0	113.2	S315 A316 L317 I321 M322 A323	S315-G319 PolarHBondContact O-N 3.36Å; A316-G319 PolarHBondContact O-N 2.91Å; L317-G319 VanDerWaalsContact C-N 3.28Å; L317-G319 PolarHBondContact O-N 3.35Å; G319-I321 VanDerWaalsContact C-N 3.33Å; G319-I321 PolarHBondContact O-N 3.31Å; G319-M322 PolarHBondContact O-N 2.84Å; G319-A323 VanDerWaalsContact O-CB 3.25Å; G319-A323 WeakPolarHBondContact O-CB 3.33Å; G319-A323 PolarHBondContact O-N 3.39Å
320	I	70.5	Confident	69.9	Low	77 Å²	77	51.6 Å²	51.6	40%	0.395	28%	0.279	S	S	.	.	H	α-helix	trans	-58.3	-46	174.1	-68.2	160.1	0	0	0	110.7	L15 A316 L317 A323 S324	L15-I320 HydrophobicContact CD1-CB 4.29Å; L15-I320 HydrophobicContact CD1-CG1 3.98Å; L15-I320 HydrophobicContact CD1-CG2 4.29Å; L15-I320 HydrophobicContact CD2-CG1 3.66Å; L15-I320 HydrophobicContact CG-CB 4.47Å; L15-I320 HydrophobicContact CG-CG1 3.96Å; A316-I320 WeakPolarHBondContact O-CG1 3.49Å; A316-I320 PolarHBondContact O-N 3.25Å; L317-I320 PolarHBondContact O-N 3.42Å; I320-A323 PolarHBondContact O-N 3.32Å; I320-S324 WeakPolarHBondContact O-CB 3.4Å; I320-S324 PolarHBondContact O-N 2.91Å; I320-S324 PolarHBondContact O-OG 3.43Å
321	I	65.4	Low	69.8	Low	20 Å²	20	48.3 Å²	48.3	10%	0.103	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-40.3	-175.7	-68.2	168.3	0	0	0	111.5	L317 I318 G319 S324 L326 G327 V365	L317-I321 WeakPolarHBondContact O-CB 3.36Å; L317-I321 WeakPolarHBondContact O-CD1 3.17Å; L317-I321 WeakPolarHBondContact O-CG1 3.5Å; L317-I321 PolarHBondContact O-N 3.39Å; I318-I321 PolarHBondContact O-N 2.97Å; G319-I321 VanDerWaalsContact C-N 3.33Å; G319-I321 PolarHBondContact O-N 3.31Å; I321-S324 PolarHBondContact O-OG 3.31Å; I321-L326 HydrophobicContact CG1-CD2 4.32Å; I321-L326 HydrophobicContact CG2-CB 4.47Å; I321-L326 PolarHBondContact O-N 2.89Å; I321-G327 PolarHBondContact O-N 3.35Å; I321-V365 HydrophobicContact CD1-CB 4.07Å; I321-V365 HydrophobicContact CD1-CG1 3.56Å; I321-V365 HydrophobicContact CD1-CG2 3.98Å; I321-V365 HydrophobicContact CG2-CG1 4.22Å
322	M	68.6	Low	69.7	Low	102 Å²	102	55 Å²	55	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-70.2	-39	176.1	-71.6	-179	72.2	0	0	112.3	K18 V22 I318 G319	K18-M322 HydrophobicContact CD-CE 4.32Å; V22-M322 HydrophobicContact CG2-SD 4.15Å; I318-M322 HydrophobicContact CG2-CG 4.11Å; I318-M322 HydrophobicContact CG2-SD 3.71Å; I318-M322 WeakPolarHBondContact O-CB 3.14Å; I318-M322 VanDerWaalsContact O-CG 3.27Å; I318-M322 WeakPolarHBondContact O-CG 3.22Å; I318-M322 PolarHBondContact O-N 3.3Å; G319-M322 PolarHBondContact O-N 2.84Å
323	A	72	Confident	69.5	Low	25 Å²	25	55.3 Å²	55.3	21%	0.207	31%	0.305	C	S	.	.	H	α-helix	trans	-79.1	-31.2	-177.9	0	0	0	0	0	113.7	W11 L15 K18 G319 I320 G325	W11-A323 PolarHBondContact NE1-O 2.95Å; L15-A323 HydrophobicContact CB-CB 3.92Å; L15-A323 HydrophobicContact CD1-CB 4.49Å; L15-A323 HydrophobicContact CG-CB 4.18Å; K18-A323 HydrophobicContact CG-CB 4.39Å; G319-A323 VanDerWaalsContact O-CB 3.25Å; G319-A323 WeakPolarHBondContact O-CB 3.33Å; G319-A323 PolarHBondContact O-N 3.39Å; I320-A323 PolarHBondContact O-N 3.32Å; A323-G325 VanDerWaalsContact C-N 3.26Å; A323-G325 PolarHBondContact O-N 3.45Å
324	S	74.4	Confident	69.5	Low	51 Å²	51	51.1 Å²	51.1	36%	0.357	29%	0.288	S	S	.	.	S	Bend	trans	-74.7	-14.1	177.5	56.8	0	0	0	0	113.7	I320 I321 L326	I320-S324 WeakPolarHBondContact O-CB 3.4Å; I320-S324 PolarHBondContact O-N 2.91Å; I320-S324 PolarHBondContact O-OG 3.43Å; I321-S324 PolarHBondContact O-OG 3.31Å; S324-L326 PolarHBondContact O-N 3.47Å; S324-L326 VanDerWaalsContact OG-CB 3.27Å; S324-L326 WeakPolarHBondContact OG-CB 3.12Å; S324-L326 PolarHBondContact OG-N 3.07Å
325	G	69.7	Low	69.9	Low	26 Å²	26	51.8 Å²	51.8	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	71.6	5.6	-168.4	0	0	0	0	0	113.3	A323 G327 D328 W329	A323-G325 VanDerWaalsContact C-N 3.26Å; A323-G325 PolarHBondContact O-N 3.45Å; G325-G327 VanDerWaalsContact C-N 3.26Å; G325-G327 PolarHBondContact O-N 3.18Å; G325-D328 PolarHBondContact O-N 3.43Å; G325-D328 VanDerWaalsContact O-N 3.11Å; G325-W329 PolarHBondContact O-N 3.21Å
326	L	67.3	Low	70.1	Confident	72 Å²	72	55.7 Å²	55.7	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-39.6	176.7	-178.7	65.9	0	0	0	111.1	I321 S324 D328 W329 I330	I321-L326 HydrophobicContact CG1-CD2 4.32Å; I321-L326 HydrophobicContact CG2-CB 4.47Å; I321-L326 PolarHBondContact O-N 2.89Å; S324-L326 PolarHBondContact O-N 3.47Å; S324-L326 VanDerWaalsContact OG-CB 3.27Å; S324-L326 WeakPolarHBondContact OG-CB 3.12Å; S324-L326 PolarHBondContact OG-N 3.07Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 3.38Å; L326-W329 HydrophobicContact CD1-CE3 3.84Å; L326-W329 HydrophobicContact CD1-CZ3 4.32Å; L326-W329 PolarHBondContact O-N 3.16Å; L326-I330 HydrophobicContact CD1-CD1 4.13Å; L326-I330 HydrophobicContact CD1-CG1 4.23Å; L326-I330 HydrophobicContact CD2-CD1 4.41Å; L326-I330 HydrophobicContact CG-CD1 3.87Å; L326-I330 HydrophobicContact CG-CG1 4.35Å; L326-I330 WeakPolarHBondContact O-CB 3.45Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 3.25Å
327	G	66.1	Low	70.2	Confident	11 Å²	11	55.7 Å²	55.7	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-44	174.7	0	0	0	0	0	112.2	I321 G325 A331	I321-G327 PolarHBondContact O-N 3.35Å; G325-G327 VanDerWaalsContact C-N 3.26Å; G325-G327 PolarHBondContact O-N 3.18Å; G327-A331 WeakPolarHBondContact O-CB 3.33Å; G327-A331 PolarHBondContact O-N 3.33Å
328	D	68.1	Low	70.5	Confident	107 Å²	107	54.4 Å²	54.4	57%	0.572	31%	0.307	S	S	*	.	H	α-helix	trans	-68.8	-39.9	177.2	-68.1	-35.2	0	0	0	111.7	G325 L326 A331 H332	G325-D328 PolarHBondContact O-N 3.43Å; G325-D328 VanDerWaalsContact O-N 3.11Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 3.38Å; D328-A331 WeakPolarHBondContact O-CB 3.5Å; D328-A331 PolarHBondContact O-N 3.48Å; D328-H332 PolarHBondContact O-N 3.14Å; D328-H332 PolarHBondContact O-ND1 2.65Å
329	W	70	Confident	70.8	Confident	188 Å²	188	57 Å²	57	71%	0.712	33%	0.325	S	S	*	.	H	α-helix	trans	-63.4	-48.1	177.5	179.4	77.5	0	0	0	112	G325 L326 A331 H332 G333	G325-W329 PolarHBondContact O-N 3.21Å; L326-W329 HydrophobicContact CD1-CE3 3.84Å; L326-W329 HydrophobicContact CD1-CZ3 4.32Å; L326-W329 PolarHBondContact O-N 3.16Å; W329-A331 VanDerWaalsContact C-N 3.29Å; W329-A331 PolarHBondContact O-N 3Å; W329-H332 PolarHBondContact O-N 3.21Å; W329-G333 PolarHBondContact O-N 2.93Å
330	I	66.8	Low	70.7	Confident	43 Å²	43	62.1 Å²	62.1	22%	0.221	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-43.7	173.7	-66	172.4	0	0	0	109.8	L326 H332 G333 L334	L326-I330 HydrophobicContact CD1-CD1 4.13Å; L326-I330 HydrophobicContact CD1-CG1 4.23Å; L326-I330 HydrophobicContact CD2-CD1 4.41Å; L326-I330 HydrophobicContact CG-CD1 3.87Å; L326-I330 HydrophobicContact CG-CG1 4.35Å; L326-I330 WeakPolarHBondContact O-CB 3.45Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 3.25Å; I330-H332 PolarHBondContact O-N 3.08Å; I330-G333 PolarHBondContact O-N 3.45Å; I330-L334 HydrophobicContact CG2-CD1 3.67Å; I330-L334 HydrophobicContact CG2-CG 4.31Å; I330-L334 WeakPolarHBondContact O-CB 3.03Å; I330-L334 WeakPolarHBondContact O-CG 3.36Å; I330-L334 PolarHBondContact O-N 3.22Å
331	A	66.6	Low	70.6	Confident	11 Å²	11	61.3 Å²	61.3	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-44.9	177.2	0	0	0	0	0	112.5	G327 D328 W329 G333 L334 A335 V369 L373	G327-A331 WeakPolarHBondContact O-CB 3.33Å; G327-A331 PolarHBondContact O-N 3.33Å; D328-A331 WeakPolarHBondContact O-CB 3.5Å; D328-A331 PolarHBondContact O-N 3.48Å; W329-A331 VanDerWaalsContact C-N 3.29Å; W329-A331 PolarHBondContact O-N 3Å; A331-G333 VanDerWaalsContact C-N 3.32Å; A331-G333 PolarHBondContact O-N 3.44Å; A331-L334 PolarHBondContact O-N 3.05Å; A331-A335 WeakPolarHBondContact O-CA 3.39Å; A331-A335 WeakPolarHBondContact O-CB 3.43Å; A331-A335 PolarHBondContact O-N 3.15Å; A331-V369 HydrophobicContact CB-CG1 4.31Å; A331-L373 HydrophobicContact CB-CD1 3.47Å; A331-L373 VanDerWaalsContact CB-CD1 3.47Å; A331-L373 HydrophobicContact CB-CD2 4.08Å; A331-L373 HydrophobicContact CB-CG 4.3Å
332	H	71.8	Confident	71.1	Confident	149 Å²	149	66.4 Å²	66.4	69%	0.69	38%	0.376	S	S	*	.	H	α-helix	trans	-62.3	-39.3	178.9	-81	85.6	0	0	0	112.1	D328 W329 I330 P336	D328-H332 PolarHBondContact O-N 3.14Å; D328-H332 PolarHBondContact O-ND1 2.65Å; W329-H332 PolarHBondContact O-N 3.21Å; I330-H332 PolarHBondContact O-N 3.08Å; H332-P336 WeakPolarHBondContact O-CD 3.41Å
333	G	73.6	Confident	71.5	Confident	52 Å²	52	62 Å²	62	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-38.6	177.2	0	0	0	0	0	113.4	W329 I330 A331	W329-G333 PolarHBondContact O-N 2.93Å; I330-G333 PolarHBondContact O-N 3.45Å; A331-G333 VanDerWaalsContact C-N 3.32Å; A331-G333 PolarHBondContact O-N 3.44Å
334	L	72.2	Confident	71.6	Confident	30 Å²	30	61.2 Å²	61.2	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-98.2	-20.9	-171.8	-61.6	-176.5	0	0	0	114.5	I330 A331 P336 L337 A338 L347 I350 I370	I330-L334 HydrophobicContact CG2-CD1 3.67Å; I330-L334 HydrophobicContact CG2-CG 4.31Å; I330-L334 WeakPolarHBondContact O-CB 3.03Å; I330-L334 WeakPolarHBondContact O-CG 3.36Å; I330-L334 PolarHBondContact O-N 3.22Å; A331-L334 PolarHBondContact O-N 3.05Å; L334-P336 VanDerWaalsContact C-CD 3.41Å; L334-P336 VanDerWaalsContact C-N 3.35Å; L334-L337 HydrophobicContact CD2-CD1 4.04Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.26Å; L334-A338 PolarHBondContact O-N 3.2Å; L334-L347 HydrophobicContact CB-CD2 4Å; L334-L347 HydrophobicContact CD1-CD2 4.3Å; L334-L347 HydrophobicContact CD2-CD2 4.09Å; L334-L347 HydrophobicContact CG-CD2 4.36Å; L334-I350 HydrophobicContact CD2-CD1 3.95Å; L334-I370 HydrophobicContact CD1-CD1 3.79Å; L334-I370 HydrophobicContact CD1-CG1 4.17Å
335	A	72.5	Confident	71.5	Confident	32 Å²	32	63 Å²	63	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-55.8	-38.1	179.9	0	0	0	0	0	114.2	A331 L337 A338	A331-A335 WeakPolarHBondContact O-CA 3.39Å; A331-A335 WeakPolarHBondContact O-CB 3.43Å; A331-A335 PolarHBondContact O-N 3.15Å; A335-L337 PolarHBondContact O-N 3.06Å; A335-A338 WeakPolarHBondContact O-CB 3.39Å; A335-A338 PolarHBondContact O-N 2.88Å; A335-A338 VanDerWaalsContact O-N 3.14Å
336	P	76.8	Confident	71.9	Confident	85 Å²	85	66.3 Å²	66.3	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-59	-36.5	174.7	-24.9	35.2	0	0	0	112.5	H332 L334 S339	H332-P336 WeakPolarHBondContact O-CD 3.41Å; L334-P336 VanDerWaalsContact C-CD 3.41Å; L334-P336 VanDerWaalsContact C-N 3.35Å; P336-S339 PolarHBondContact O-N 2.79Å; P336-S339 PolarHBondContact O-OG 3.39Å
337	L	78.2	Confident	72.1	Confident	51 Å²	51	62.9 Å²	62.9	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-71.1	-31.1	178.5	-55.3	177.9	0	0	0	111.9	L334 A335 S339 G343 L344 M346 L347 I350	L334-L337 HydrophobicContact CD2-CD1 4.04Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.26Å; A335-L337 PolarHBondContact O-N 3.06Å; L337-S339 PolarHBondContact O-N 3.26Å; L337-G343 CarbonylContact O-C 3.53Å; L337-G343 WeakPolarHBondContact O-CA 3.43Å; L337-L344 PolarHBondContact O-N 3.48Å; L337-M346 HydrophobicContact CD1-CB 4.44Å; L337-L347 HydrophobicContact CB-CD1 4.16Å; L337-L347 HydrophobicContact CB-CD2 4.04Å; L337-L347 HydrophobicContact CB-CG 3.84Å; L337-L347 HydrophobicContact CD1-CD2 4.07Å; L337-L347 HydrophobicContact CD1-CG 4.45Å; L337-I350 HydrophobicContact CD1-CD1 3.81Å
338	A	70.9	Confident	72.2	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-21.8	179.2	0	0	0	0	0	113.1	L334 A335 H340 L347 I374 I383	L334-A338 PolarHBondContact O-N 3.2Å; A335-A338 WeakPolarHBondContact O-CB 3.39Å; A335-A338 PolarHBondContact O-N 2.88Å; A335-A338 VanDerWaalsContact O-N 3.14Å; A338-H340 PolarHBondContact O-N 2.91Å; A338-L347 HydrophobicContact CB-CD1 4.12Å; A338-I374 HydrophobicContact CB-CG1 3.85Å; A338-I383 WeakPolarHBondContact O-CD1 3.25Å
339	S	72.5	Confident	72.2	Confident	62 Å²	62	63.5 Å²	63.5	43%	0.434	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.1	-169	69.5	0	0	0	0	116.4	P336 L337	P336-S339 PolarHBondContact O-N 2.79Å; P336-S339 PolarHBondContact O-OG 3.39Å; L337-S339 PolarHBondContact O-N 3.26Å
340	H	71.3	Confident	72.1	Confident	108 Å²	108	57.3 Å²	57.3	50%	0.5	33%	0.333	S	S	.	.	S	Bend	trans	-149	150.7	-174.7	-177.4	-87.4	0	0	0	112.1	A338 L342 G343 L344	A338-H340 PolarHBondContact O-N 2.91Å; H340-L342 VanDerWaalsContact C-N 3.34Å; H340-L342 PolarHBondContact ND1-N 3.31Å; H340-L342 PolarHBondContact O-N 3.43Å; H340-G343 WeakPolarHBondContact O-CA 3.24Å; H340-G343 PolarHBondContact O-N 3.16Å; H340-L344 PolarHBondContact O-N 2.96Å; H340-L344 VanDerWaalsContact O-N 3.1Å
341	P	68.8	Low	72	Confident	60 Å²	60	55.3 Å²	55.3	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	-47.6	-43.3	179.7	-33.3	34.9	0	0	0	116.8	G343 L344 V345 L387	P341-G343 VanDerWaalsContact C-N 3.28Å; P341-G343 PolarHBondContact O-N 3.49Å; P341-L344 WeakPolarHBondContact O-CB 3.47Å; P341-L344 PolarHBondContact O-N 3.25Å; P341-V345 PolarHBondContact O-N 2.71Å; P341-V345 VanDerWaalsContact O-N 3.16Å; P341-L387 HydrophobicContact CG-CD1 3.93Å; P341-L387 HydrophobicContact CG-CD2 4.38Å
342	L	75.3	Confident	71.6	Confident	128 Å²	128	57 Å²	57	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-35.9	176.4	-76.4	171.8	0	0	0	112.6	H340 V345 M346	H340-L342 VanDerWaalsContact C-N 3.34Å; H340-L342 PolarHBondContact ND1-N 3.31Å; H340-L342 PolarHBondContact O-N 3.43Å; L342-V345 WeakPolarHBondContact O-CB 3.24Å; L342-V345 PolarHBondContact O-N 2.87Å; L342-M346 PolarHBondContact O-N 3.08Å; L342-M346 VanDerWaalsContact O-N 3.09Å
343	G	77.2	Confident	71.2	Confident	8 Å²	8	54.4 Å²	54.4	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-74	-29.6	176.3	0	0	0	0	0	112.2	L337 H340 P341 V345 M346 L347	L337-G343 CarbonylContact O-C 3.53Å; L337-G343 WeakPolarHBondContact O-CA 3.43Å; H340-G343 WeakPolarHBondContact O-CA 3.24Å; H340-G343 PolarHBondContact O-N 3.16Å; P341-G343 VanDerWaalsContact C-N 3.28Å; P341-G343 PolarHBondContact O-N 3.49Å; G343-V345 VanDerWaalsContact C-N 3.3Å; G343-V345 PolarHBondContact O-N 3.34Å; G343-M346 PolarHBondContact O-N 3.24Å; G343-L347 WeakPolarHBondContact O-CB 3.43Å; G343-L347 VanDerWaalsContact O-CG 3.26Å; G343-L347 WeakPolarHBondContact O-CG 3.2Å; G343-L347 PolarHBondContact O-N 3.2Å
344	L	72.8	Confident	70.1	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-36.1	168	-65.5	177.7	0	0	0	112.4	L337 H340 P341 L347 A348 I374 L387 A391	L337-L344 PolarHBondContact O-N 3.48Å; H340-L344 PolarHBondContact O-N 2.96Å; H340-L344 VanDerWaalsContact O-N 3.1Å; P341-L344 WeakPolarHBondContact O-CB 3.47Å; P341-L344 PolarHBondContact O-N 3.25Å; L344-L347 HydrophobicContact CD2-CD1 4.33Å; L344-L347 PolarHBondContact O-N 3.45Å; L344-A348 PolarHBondContact O-N 2.97Å; L344-I374 HydrophobicContact CD2-CD1 3.74Å; L344-I374 HydrophobicContact CD2-CG1 4.39Å; L344-L387 HydrophobicContact CD1-CB 4.27Å; L344-L387 HydrophobicContact CD1-CD1 4.45Å; L344-A391 HydrophobicContact CD2-CB 4.24Å
345	V	74.3	Confident	69.1	Low	88 Å²	88	53.9 Å²	53.9	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-45.5	173.3	176.1	0	0	0	0	110.9	P341 L342 G343 L347 A348 L349	P341-V345 PolarHBondContact O-N 2.71Å; P341-V345 VanDerWaalsContact O-N 3.16Å; L342-V345 WeakPolarHBondContact O-CB 3.24Å; L342-V345 PolarHBondContact O-N 2.87Å; G343-V345 VanDerWaalsContact C-N 3.3Å; G343-V345 PolarHBondContact O-N 3.34Å; V345-L347 VanDerWaalsContact C-N 3.32Å; V345-L347 PolarHBondContact O-N 3.41Å; V345-A348 WeakPolarHBondContact O-CB 3.31Å; V345-A348 PolarHBondContact O-N 3.3Å; V345-A348 VanDerWaalsContact O-N 3.15Å; V345-L349 PolarHBondContact O-N 3.1Å
346	M	77.2	Confident	67.9	Low	96 Å²	96	55.3 Å²	55.3	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.2	-70	-60.7	-66.2	0	0	112	L337 L342 G343 A348 L349 I350	L337-M346 HydrophobicContact CD1-CB 4.44Å; L342-M346 PolarHBondContact O-N 3.08Å; L342-M346 VanDerWaalsContact O-N 3.09Å; G343-M346 PolarHBondContact O-N 3.24Å; M346-A348 VanDerWaalsContact C-N 3.33Å; M346-A348 PolarHBondContact O-N 3.14Å; M346-L349 WeakPolarHBondContact O-CB 3.31Å; M346-L349 PolarHBondContact O-N 3.28Å; M346-L349 HydrophobicContact SD-CD1 4.17Å; M346-I350 VanDerWaalsContact O-CG1 3.29Å; M346-I350 WeakPolarHBondContact O-CG1 3.35Å; M346-I350 PolarHBondContact O-N 3.3Å
347	L	71.3	Confident	66.5	Low	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-40	173.4	-71.7	172.6	0	0	0	111.5	L334 L337 A338 G343 L344 V345 L349 I350 C351 I370	L334-L347 HydrophobicContact CB-CD2 4Å; L334-L347 HydrophobicContact CD1-CD2 4.3Å; L334-L347 HydrophobicContact CD2-CD2 4.09Å; L334-L347 HydrophobicContact CG-CD2 4.36Å; L337-L347 HydrophobicContact CB-CD1 4.16Å; L337-L347 HydrophobicContact CB-CD2 4.04Å; L337-L347 HydrophobicContact CB-CG 3.84Å; L337-L347 HydrophobicContact CD1-CD2 4.07Å; L337-L347 HydrophobicContact CD1-CG 4.45Å; A338-L347 HydrophobicContact CB-CD1 4.12Å; G343-L347 WeakPolarHBondContact O-CB 3.43Å; G343-L347 VanDerWaalsContact O-CG 3.26Å; G343-L347 WeakPolarHBondContact O-CG 3.2Å; G343-L347 PolarHBondContact O-N 3.2Å; L344-L347 HydrophobicContact CD2-CD1 4.33Å; L344-L347 PolarHBondContact O-N 3.45Å; V345-L347 VanDerWaalsContact C-N 3.32Å; V345-L347 PolarHBondContact O-N 3.41Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 PolarHBondContact O-N 3.39Å; L347-I350 PolarHBondContact O-N 3.13Å; L347-C351 WeakPolarHBondContact O-CB 3.29Å; L347-C351 PolarHBondContact O-N 2.92Å; L347-C351 PolarHBondContact O-SG 3.05Å; L347-I370 HydrophobicContact CD1-CG2 4.11Å; L347-I370 HydrophobicContact CD2-CD1 4.19Å
348	A	68.3	Low	64.7	Low	26 Å²	26	53.7 Å²	53.7	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-38	174	0	0	0	0	0	112	L344 V345 M346 C351 S352 A394	L344-A348 PolarHBondContact O-N 2.97Å; V345-A348 WeakPolarHBondContact O-CB 3.31Å; V345-A348 PolarHBondContact O-N 3.3Å; V345-A348 VanDerWaalsContact O-N 3.15Å; M346-A348 VanDerWaalsContact C-N 3.33Å; M346-A348 PolarHBondContact O-N 3.14Å; A348-C351 CarbonylContact O-C 2.99Å; A348-S352 WeakPolarHBondContact O-CB 3.35Å; A348-S352 PolarHBondContact O-N 2.94Å; A348-S352 PolarHBondContact O-OG 3.21Å; A348-A394 HydrophobicContact CB-CB 3.81Å
349	L	68.4	Low	63.4	Low	104 Å²	104	57.4 Å²	57.4	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-45	175.4	-67.6	172.5	0	0	0	111.8	V345 M346 L347 S352 F353	V345-L349 PolarHBondContact O-N 3.1Å; M346-L349 WeakPolarHBondContact O-CB 3.31Å; M346-L349 PolarHBondContact O-N 3.28Å; M346-L349 HydrophobicContact SD-CD1 4.17Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 PolarHBondContact O-N 3.39Å; L349-S352 WeakPolarHBondContact CA-OG 3.39Å; L349-S352 PolarHBondContact O-N 3.36Å; L349-S352 PolarHBondContact O-OG 2.88Å; L349-F353 PolarHBondContact O-N 3.34Å; L349-F353 VanDerWaalsContact O-N 3.16Å
350	I	67.7	Low	61.9	Low	58 Å²	58	59.7 Å²	59.7	30%	0.297	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-51.8	176.5	-66.1	164	0	0	0	110	L334 L337 M346 L347 S352 F353 L356 Q398	L334-I350 HydrophobicContact CD2-CD1 3.95Å; L337-I350 HydrophobicContact CD1-CD1 3.81Å; M346-I350 VanDerWaalsContact O-CG1 3.29Å; M346-I350 WeakPolarHBondContact O-CG1 3.35Å; M346-I350 PolarHBondContact O-N 3.3Å; L347-I350 PolarHBondContact O-N 3.13Å; I350-S352 PolarHBondContact O-N 2.69Å; I350-F353 WeakPolarHBondContact O-CB 3.39Å; I350-F353 PolarHBondContact O-N 2.8Å; I350-L356 WeakPolarHBondContact O-CD1 3.38Å; I350-Q398 PolarHBondContact O-NE2 3.47Å
351	C	63.7	Low	60.9	Low	1 Å²	1	55.9 Å²	55.9	1%	0.007	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	8.1	176.7	-59.9	0	0	0	0	113.9	L347 A348 I370 Q398	L347-C351 WeakPolarHBondContact O-CB 3.29Å; L347-C351 PolarHBondContact O-N 2.92Å; L347-C351 PolarHBondContact O-SG 3.05Å; A348-C351 CarbonylContact O-C 2.99Å; C351-I370 WeakPolarHBondContact SG-CD1 2.89Å; C351-Q398 WeakPolarHBondContact O-CB 3.3Å; C351-Q398 WeakPolarHBondContact O-CG 3.46Å; C351-Q398 PolarHBondContact O-N 3.41Å; C351-Q398 VanDerWaalsContact O-N 3.08Å; C351-Q398 PolarHBondContact O-NE2 3.25Å; C351-Q398 PolarHBondContact O-OE1 3.45Å
352	S	59.8	Low	60	Low	48 Å²	48	54.4 Å²	54.4	34%	0.336	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-3.9	166.9	56	0	0	0	0	112.1	A348 L349 I350 P354	A348-S352 WeakPolarHBondContact O-CB 3.35Å; A348-S352 PolarHBondContact O-N 2.94Å; A348-S352 PolarHBondContact O-OG 3.21Å; L349-S352 WeakPolarHBondContact CA-OG 3.39Å; L349-S352 PolarHBondContact O-N 3.36Å; L349-S352 PolarHBondContact O-OG 2.88Å; I350-S352 PolarHBondContact O-N 2.69Å; S352-P354 VanDerWaalsContact O-CD 3.25Å; S352-P354 WeakPolarHBondContact O-CD 3.49Å; S352-P354 VanDerWaalsContact O-N 3.16Å
353	F	62.2	Low	59.2	Low	93 Å²	93	48.9 Å²	48.9	41%	0.408	28%	0.281	S	S	.	.			trans	-60.8	116.7	-179.2	-168.5	-122.5	0	0	0	110.4	L349 I350 L355 L356 Q398	L349-F353 PolarHBondContact O-N 3.34Å; L349-F353 VanDerWaalsContact O-N 3.16Å; I350-F353 WeakPolarHBondContact O-CB 3.39Å; I350-F353 PolarHBondContact O-N 2.8Å; F353-L355 VanDerWaalsContact C-N 3.25Å; F353-L355 HydrophobicContact CD1-CB 3.75Å; F353-L355 HydrophobicContact CE1-CB 3.42Å; F353-L355 VanDerWaalsContact CE1-CB 3.42Å; F353-L355 HydrophobicContact CE1-CD1 3.73Å; F353-L355 HydrophobicContact CE1-CG 4.19Å; F353-L355 HydrophobicContact CZ-CB 4.1Å; F353-L355 HydrophobicContact CZ-CD1 3.73Å; F353-L355 HydrophobicContact CZ-CG 4.47Å; F353-L355 PolarHBondContact O-N 3.13Å; F353-L356 HydrophobicContact CB-CD1 4.37Å; F353-L356 HydrophobicContact CD1-CG 4.35Å; F353-L356 PolarHBondContact O-N 2.73Å; F353-Q398 PolarHBondContact O-NE2 3.3Å
354	P	49.9	Very low	58.4	Low	38 Å²	38	49.5 Å²	49.5	25%	0.247	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.7	-31	-171.4	-27.3	35.4	0	0	0	113.7	S352 L356 S357 P358	S352-P354 VanDerWaalsContact O-CD 3.25Å; S352-P354 WeakPolarHBondContact O-CD 3.49Å; S352-P354 VanDerWaalsContact O-N 3.16Å; P354-L356 PolarHBondContact O-N 3.39Å; P354-S357 PolarHBondContact O-N 3.22Å; P354-S357 PolarHBondContact O-OG 3.07Å; P354-P358 WeakPolarHBondContact O-CD 3.38Å
355	L	51.2	Low	57.8	Low	33 Å²	33	49.6 Å²	49.6	17%	0.173	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66.3	-17.5	-178.9	-96.8	167.6	0	0	0	114.7	F353 S357 F359 T430 R431	F353-L355 VanDerWaalsContact C-N 3.25Å; F353-L355 HydrophobicContact CD1-CB 3.75Å; F353-L355 HydrophobicContact CE1-CB 3.42Å; F353-L355 VanDerWaalsContact CE1-CB 3.42Å; F353-L355 HydrophobicContact CE1-CD1 3.73Å; F353-L355 HydrophobicContact CE1-CG 4.19Å; F353-L355 HydrophobicContact CZ-CB 4.1Å; F353-L355 HydrophobicContact CZ-CD1 3.73Å; F353-L355 HydrophobicContact CZ-CG 4.47Å; F353-L355 PolarHBondContact O-N 3.13Å; L355-S357 VanDerWaalsContact C-N 3.33Å; L355-F359 HydrophobicContact CD2-CE2 4.41Å; L355-T430 WeakPolarHBondContact CD1-OG1 3.46Å; L355-R431 HydrophobicContact CD1-CB 4.08Å; L355-R431 HydrophobicContact CD1-CG 4.43Å; L355-R431 HydrophobicContact CD2-CB 3.95Å; L355-R431 VanDerWaalsContact CD2-CD 3.4Å; L355-R431 HydrophobicContact CD2-CG 4.29Å
356	L	48	Very low	57.4	Low	62 Å²	62	46.4 Å²	46.4	33%	0.325	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-78.1	-17.5	173.2	-68.3	172.7	0	0	0	112.5	I350 F353 P354 I366	I350-L356 WeakPolarHBondContact O-CD1 3.38Å; F353-L356 HydrophobicContact CB-CD1 4.37Å; F353-L356 HydrophobicContact CD1-CG 4.35Å; F353-L356 PolarHBondContact O-N 2.73Å; P354-L356 PolarHBondContact O-N 3.39Å; L356-I366 HydrophobicContact CD1-CD1 4.4Å
357	S	46.7	Very low	57.1	Low	9 Å²	9	41.9 Å²	41.9	6%	0.063	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-36.3	-172.5	85.6	0	0	0	0	116	P354 L355	P354-S357 PolarHBondContact O-N 3.22Å; P354-S357 PolarHBondContact O-OG 3.07Å; L355-S357 VanDerWaalsContact C-N 3.33Å
358	P	41.2	Very low	57.1	Low	94 Å²	94	43.9 Å²	43.9	61%	0.61	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-27	178.5	-17.7	30.8	0	0	0	113.2	P354	P354-P358 WeakPolarHBondContact O-CD 3.38Å
359	F	42.8	Very low	57.2	Low	80 Å²	80	44.1 Å²	44.1	35%	0.351	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-41.7	-163.9	-99.3	-80.8	0	0	0	114	L355 E457	L355-F359 HydrophobicContact CD2-CE2 4.41Å; F359-E457 WeakPolarHBondContact CE1-OE2 3.43Å; F359-E457 WeakPolarHBondContact CE2-OE1 3.41Å; F359-E457 HydrophobicContact CZ-CG 4.43Å; F359-E457 WeakPolarHBondContact CZ-OE1 3.43Å; F359-E457 WeakPolarHBondContact CZ-OE2 3.46Å
360	L	42	Very low	57.5	Low	110 Å²	110	39.3 Å²	39.3	58%	0.576	23%	0.226	S	C	*	.			trans	-161.3	161.5	174.3	-65.5	102.3	0	0	0	108.7	P362	L360-P362 HydrophobicContact CB-CG 3.49Å; L360-P362 VanDerWaalsContact CB-CG 3.49Å; L360-P362 WeakPolarHBondContact O-CD 3.31Å; L360-P362 WeakPolarHBondContact O-CG 3.49Å
361	G	50.4	Low	58.2	Low	28 Å²	28	36.6 Å²	36.6	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	4.2	167.6	0	0	0	0	0	120.2	G363	G361-G363 VanDerWaalsContact C-N 3.31Å; G361-G363 PolarHBondContact O-N 2.96Å
362	P	50.3	Low	59	Low	29 Å²	29	39.6 Å²	39.6	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-47.4	-21.9	164	-7.7	-19.2	0	0	0	120.2	L360 A364 V365 I366	L360-P362 HydrophobicContact CB-CG 3.49Å; L360-P362 VanDerWaalsContact CB-CG 3.49Å; L360-P362 WeakPolarHBondContact O-CD 3.31Å; L360-P362 WeakPolarHBondContact O-CG 3.49Å; P362-A364 PolarHBondContact O-N 2.74Å; P362-V365 CarbonylContact O-C 3.56Å; P362-V365 PolarHBondContact O-N 2.9Å; P362-I366 HydrophobicContact CB-CD1 3.86Å; P362-I366 HydrophobicContact CB-CG1 4.03Å; P362-I366 WeakPolarHBondContact O-CA 3.38Å; P362-I366 WeakPolarHBondContact O-CB 3.35Å; P362-I366 WeakPolarHBondContact O-CG1 3.43Å; P362-I366 PolarHBondContact O-N 3.48Å
363	G	56.9	Low	59.8	Low	12 Å²	12	39.2 Å²	39.2	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-53.8	-47.4	176	0	0	0	0	0	111.4	G361 A367	G361-G363 VanDerWaalsContact C-N 3.31Å; G361-G363 PolarHBondContact O-N 2.96Å; G363-A367 WeakPolarHBondContact O-CB 3.42Å; G363-A367 PolarHBondContact O-N 3.17Å
364	A	61.1	Low	60.8	Low	20 Å²	20	34.8 Å²	34.8	17%	0.165	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-41.4	173.1	0	0	0	0	0	112.4	F123 P362 A367 Q368	F123-A364 HydrophobicContact CE2-CB 4.24Å; F123-A364 WeakPolarHBondContact CE2-O 3.32Å; F123-A364 HydrophobicContact CZ-CB 3.97Å; P362-A364 PolarHBondContact O-N 2.74Å; A364-A367 PolarHBondContact O-N 3.03Å; A364-Q368 VanDerWaalsContact O-CB 3.28Å; A364-Q368 WeakPolarHBondContact O-CB 3.46Å; A364-Q368 PolarHBondContact O-N 3.38Å
365	V	60.4	Low	62.5	Low	11 Å²	11	33 Å²	33	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-40.5	-178.5	-172.9	0	0	0	0	113.2	I318 I321 P362 Q368 V369	I318-V365 HydrophobicContact CG1-CG2 4.35Å; I321-V365 HydrophobicContact CD1-CB 4.07Å; I321-V365 HydrophobicContact CD1-CG1 3.56Å; I321-V365 HydrophobicContact CD1-CG2 3.98Å; I321-V365 HydrophobicContact CG2-CG1 4.22Å; P362-V365 CarbonylContact O-C 3.56Å; P362-V365 PolarHBondContact O-N 2.9Å; V365-Q368 WeakPolarHBondContact O-CB 3.44Å; V365-Q368 PolarHBondContact O-N 3.43Å; V365-V369 HydrophobicContact CG1-CG2 4.15Å; V365-V369 WeakPolarHBondContact O-CB 3.25Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.3Å; V365-V369 PolarHBondContact O-N 2.98Å
366	I	65.3	Low	64	Low	21 Å²	21	34.9 Å²	34.9	11%	0.108	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-48.9	173.7	-68.6	169.7	0	0	0	108.2	L356 P362 Q368 V369 I370	L356-I366 HydrophobicContact CD1-CD1 4.4Å; P362-I366 HydrophobicContact CB-CD1 3.86Å; P362-I366 HydrophobicContact CB-CG1 4.03Å; P362-I366 WeakPolarHBondContact O-CA 3.38Å; P362-I366 WeakPolarHBondContact O-CB 3.35Å; P362-I366 WeakPolarHBondContact O-CG1 3.43Å; P362-I366 PolarHBondContact O-N 3.48Å; I366-Q368 PolarHBondContact O-N 2.83Å; I366-V369 PolarHBondContact O-N 3.47Å; I366-I370 HydrophobicContact CG2-CD1 3.42Å; I366-I370 VanDerWaalsContact CG2-CD1 3.42Å; I366-I370 HydrophobicContact CG2-CG1 4.27Å; I366-I370 VanDerWaalsContact O-CB 3.27Å; I366-I370 WeakPolarHBondContact O-CB 3.46Å; I366-I370 VanDerWaalsContact O-CG1 3.25Å; I366-I370 WeakPolarHBondContact O-CG1 3.36Å; I366-I370 PolarHBondContact O-N 3.19Å
367	A	71.1	Confident	65.6	Low	2 Å²	2	34 Å²	34	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-37.2	174.6	0	0	0	0	0	111.8	V124 G363 A364 G371 I395	V124-A367 HydrophobicContact CG1-CB 4.04Å; V124-A367 HydrophobicContact CG2-CB 3.93Å; G363-A367 WeakPolarHBondContact O-CB 3.42Å; G363-A367 PolarHBondContact O-N 3.17Å; A364-A367 PolarHBondContact O-N 3.03Å; A367-G371 VanDerWaalsContact O-CA 3.31Å; A367-G371 WeakPolarHBondContact O-CA 3.15Å; A367-G371 PolarHBondContact O-N 2.78Å; A367-I395 HydrophobicContact CB-CB 4.17Å; A367-I395 HydrophobicContact CB-CG1 4.46Å; A367-I395 WeakPolarHBondContact O-CD1 3.31Å
368	Q	70.8	Confident	67.5	Low	42 Å²	42	33.6 Å²	33.6	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-55.3	174.8	-173.9	180	-10.7	0	0	112.3	F123 A364 V365 I366 I370 G371 V372	F123-Q368 HydrophobicContact CB-CG 4.36Å; F123-Q368 HydrophobicContact CD2-CB 3.48Å; F123-Q368 VanDerWaalsContact CD2-CB 3.48Å; F123-Q368 HydrophobicContact CD2-CG 3.52Å; F123-Q368 HydrophobicContact CE2-CB 3.64Å; F123-Q368 HydrophobicContact CE2-CG 4.11Å; F123-Q368 HydrophobicContact CG-CB 4.5Å; F123-Q368 HydrophobicContact CG-CG 4.1Å; A364-Q368 VanDerWaalsContact O-CB 3.28Å; A364-Q368 WeakPolarHBondContact O-CB 3.46Å; A364-Q368 PolarHBondContact O-N 3.38Å; V365-Q368 WeakPolarHBondContact O-CB 3.44Å; V365-Q368 PolarHBondContact O-N 3.43Å; I366-Q368 PolarHBondContact O-N 2.83Å; Q368-I370 PolarHBondContact O-N 3.1Å; Q368-G371 PolarHBondContact O-N 3.29Å; Q368-V372 WeakPolarHBondContact O-CB 2.86Å; Q368-V372 VanDerWaalsContact O-CG2 3.3Å; Q368-V372 WeakPolarHBondContact O-CG2 2.98Å; Q368-V372 PolarHBondContact O-N 3.03Å
369	V	70.2	Confident	69.5	Low	32 Å²	32	29.8 Å²	29.8	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-49.8	-177.5	169.7	0	0	0	0	109.3	A331 V365 I366 V372 L373	A331-V369 HydrophobicContact CB-CG1 4.31Å; V365-V369 HydrophobicContact CG1-CG2 4.15Å; V365-V369 WeakPolarHBondContact O-CB 3.25Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.3Å; V365-V369 PolarHBondContact O-N 2.98Å; I366-V369 PolarHBondContact O-N 3.47Å; V369-V372 PolarHBondContact O-N 3.37Å; V369-L373 HydrophobicContact CG1-CD1 4.01Å; V369-L373 VanDerWaalsContact O-CG 3.23Å; V369-L373 WeakPolarHBondContact O-CG 3.16Å; V369-L373 PolarHBondContact O-N 2.87Å
370	I	75.5	Confident	71.5	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-42.8	177.6	-63.2	170.8	0	0	0	110.8	L334 L347 C351 I366 Q368 V372 L373 I374 I395	L334-I370 HydrophobicContact CD1-CD1 3.79Å; L334-I370 HydrophobicContact CD1-CG1 4.17Å; L347-I370 HydrophobicContact CD1-CG2 4.11Å; L347-I370 HydrophobicContact CD2-CD1 4.19Å; C351-I370 WeakPolarHBondContact SG-CD1 2.89Å; I366-I370 HydrophobicContact CG2-CD1 3.42Å; I366-I370 VanDerWaalsContact CG2-CD1 3.42Å; I366-I370 HydrophobicContact CG2-CG1 4.27Å; I366-I370 VanDerWaalsContact O-CB 3.27Å; I366-I370 WeakPolarHBondContact O-CB 3.46Å; I366-I370 VanDerWaalsContact O-CG1 3.25Å; I366-I370 WeakPolarHBondContact O-CG1 3.36Å; I366-I370 PolarHBondContact O-N 3.19Å; Q368-I370 PolarHBondContact O-N 3.1Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 3.43Å; I370-L373 PolarHBondContact O-N 3.22Å; I370-I374 HydrophobicContact CG2-CD1 3.59Å; I370-I374 HydrophobicContact CG2-CG1 4.12Å; I370-I374 WeakPolarHBondContact O-CB 3.48Å; I370-I374 VanDerWaalsContact O-CG1 3.28Å; I370-I374 WeakPolarHBondContact O-CG1 3.4Å; I370-I374 PolarHBondContact O-N 3.19Å; I370-I395 HydrophobicContact CB-CG2 4.13Å; I370-I395 HydrophobicContact CG2-CG2 3.58Å
371	G	82.6	Confident	73.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-43.8	178	0	0	0	0	0	112.3	G127 I128 A367 Q368 G375	G127-G371 CarbonylContact C-O 3.42Å; I128-G371 WeakPolarHBondContact CG1-O 3.44Å; I128-G371 PolarHBondContact N-O 2.88Å; A367-G371 VanDerWaalsContact O-CA 3.31Å; A367-G371 WeakPolarHBondContact O-CA 3.15Å; A367-G371 PolarHBondContact O-N 2.78Å; Q368-G371 PolarHBondContact O-N 3.29Å; G371-G375 PolarHBondContact O-N 2.97Å
372	V	80.3	Confident	74.8	Confident	64 Å²	64	32 Å²	32	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-45.3	174.8	171.5	0	0	0	0	111.1	Q368 V369 I370 I374 G375 V376	Q368-V372 WeakPolarHBondContact O-CB 2.86Å; Q368-V372 VanDerWaalsContact O-CG2 3.3Å; Q368-V372 WeakPolarHBondContact O-CG2 2.98Å; Q368-V372 PolarHBondContact O-N 3.03Å; V369-V372 PolarHBondContact O-N 3.37Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 3.43Å; V372-I374 PolarHBondContact O-N 2.95Å; V372-G375 CarbonylContact O-C 3.53Å; V372-G375 WeakPolarHBondContact O-CA 3.45Å; V372-G375 PolarHBondContact O-N 3.09Å; V372-G375 VanDerWaalsContact O-N 3.17Å; V372-V376 HydrophobicContact CG1-CG2 4.37Å; V372-V376 WeakPolarHBondContact O-CG2 3.41Å; V372-V376 PolarHBondContact O-N 3.17Å
373	L	77.1	Confident	76.3	Confident	40 Å²	40	30.6 Å²	30.6	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-46.4	177.5	-70.6	167.9	0	0	0	111.7	A331 V369 I370 G375 V376 Q377	A331-L373 HydrophobicContact CB-CD1 3.47Å; A331-L373 VanDerWaalsContact CB-CD1 3.47Å; A331-L373 HydrophobicContact CB-CD2 4.08Å; A331-L373 HydrophobicContact CB-CG 4.3Å; V369-L373 HydrophobicContact CG1-CD1 4.01Å; V369-L373 VanDerWaalsContact O-CG 3.23Å; V369-L373 WeakPolarHBondContact O-CG 3.16Å; V369-L373 PolarHBondContact O-N 2.87Å; I370-L373 PolarHBondContact O-N 3.22Å; L373-G375 VanDerWaalsContact C-N 3.31Å; L373-G375 PolarHBondContact O-N 3.36Å; L373-V376 PolarHBondContact O-N 3Å; L373-Q377 WeakPolarHBondContact O-CB 3.44Å; L373-Q377 VanDerWaalsContact O-CG 3.28Å; L373-Q377 WeakPolarHBondContact O-CG 3.38Å; L373-Q377 PolarHBondContact O-N 3.29Å
374	I	83.5	Confident	77.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-45	174.9	-68.7	171.4	0	0	0	109.7	I128 A338 L344 I370 V372 V376 Q377 I378 I383 A391 I395	I128-I374 HydrophobicContact CG1-CB 4.34Å; I128-I374 HydrophobicContact CG1-CG2 4.2Å; A338-I374 HydrophobicContact CB-CG1 3.85Å; L344-I374 HydrophobicContact CD2-CD1 3.74Å; L344-I374 HydrophobicContact CD2-CG1 4.39Å; I370-I374 HydrophobicContact CG2-CD1 3.59Å; I370-I374 HydrophobicContact CG2-CG1 4.12Å; I370-I374 WeakPolarHBondContact O-CB 3.48Å; I370-I374 VanDerWaalsContact O-CG1 3.28Å; I370-I374 WeakPolarHBondContact O-CG1 3.4Å; I370-I374 PolarHBondContact O-N 3.19Å; V372-I374 PolarHBondContact O-N 2.95Å; I374-V376 PolarHBondContact O-N 3.2Å; I374-Q377 PolarHBondContact O-N 3.26Å; I374-I378 HydrophobicContact CG2-CD1 3.77Å; I374-I378 HydrophobicContact CG2-CG1 4.32Å; I374-I378 VanDerWaalsContact O-CG1 3.27Å; I374-I378 WeakPolarHBondContact O-CG1 3.43Å; I374-I378 PolarHBondContact O-N 2.89Å; I374-I383 HydrophobicContact CG2-CD1 4.14Å; I374-A391 HydrophobicContact CD1-CB 3.94Å; I374-A391 HydrophobicContact CG2-CB 3.85Å; I374-I395 HydrophobicContact CD1-CG2 4.3Å
375	G	85.8	Confident	79	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-47.4	174.9	0	0	0	0	0	113	G127 G131 G371 V372 L373 Q377 I378 G379	G127-G375 WeakPolarHBondContact O-CA 3.47Å; G131-G375 WeakPolarHBondContact CA-O 3.33Å; G371-G375 PolarHBondContact O-N 2.97Å; V372-G375 CarbonylContact O-C 3.53Å; V372-G375 WeakPolarHBondContact O-CA 3.45Å; V372-G375 PolarHBondContact O-N 3.09Å; V372-G375 VanDerWaalsContact O-N 3.17Å; L373-G375 VanDerWaalsContact C-N 3.31Å; L373-G375 PolarHBondContact O-N 3.36Å; G375-Q377 PolarHBondContact O-N 3.45Å; G375-I378 PolarHBondContact O-N 2.91Å; G375-G379 PolarHBondContact O-N 3.36Å
376	V	81.7	Confident	80.3	Confident	72 Å²	72	40.1 Å²	40.1	44%	0.436	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-46	176.3	170.4	0	0	0	0	110.8	V372 L373 I374 I378 G379 L380	V372-V376 HydrophobicContact CG1-CG2 4.37Å; V372-V376 WeakPolarHBondContact O-CG2 3.41Å; V372-V376 PolarHBondContact O-N 3.17Å; L373-V376 PolarHBondContact O-N 3Å; I374-V376 PolarHBondContact O-N 3.2Å; V376-I378 VanDerWaalsContact C-N 3.33Å; V376-I378 PolarHBondContact O-N 3.3Å; V376-G379 PolarHBondContact O-N 3.28Å; V376-G379 VanDerWaalsContact O-N 3.14Å; V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 HydrophobicContact CG1-CG 4.39Å; V376-L380 WeakPolarHBondContact O-CG 3.49Å; V376-L380 PolarHBondContact O-N 2.79Å
377	Q	82.5	Confident	81.4	Confident	45 Å²	45	40.1 Å²	40.1	21%	0.21	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-31.9	179.4	-67.2	-58.5	-38.6	0	0	112.8	L373 I374 G375 G381 N382 I383	L373-Q377 WeakPolarHBondContact O-CB 3.44Å; L373-Q377 VanDerWaalsContact O-CG 3.28Å; L373-Q377 WeakPolarHBondContact O-CG 3.38Å; L373-Q377 PolarHBondContact O-N 3.29Å; I374-Q377 PolarHBondContact O-N 3.26Å; G375-Q377 PolarHBondContact O-N 3.45Å; Q377-G381 PolarHBondContact O-N 2.61Å; Q377-N382 PolarHBondContact O-N 3.48Å; Q377-N382 PolarHBondContact OE1-ND2 2.85Å; Q377-I383 HydrophobicContact CB-CB 4.49Å; Q377-I383 HydrophobicContact CB-CD1 3.36Å; Q377-I383 HydrophobicContact CB-CG1 3.73Å; Q377-I383 HydrophobicContact CG-CD1 4.28Å; Q377-I383 PolarHBondContact O-N 3.2Å; Q377-I383 VanDerWaalsContact O-N 3.13Å
378	I	86	Confident	82.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-48	168.4	-69.1	167.6	0	0	0	109.9	I128 L132 L135 I374 G375 V376 L380 G381 I383 A388	I128-I378 HydrophobicContact CG2-CD1 4.05Å; L132-I378 HydrophobicContact CD2-CG2 4.08Å; L135-I378 HydrophobicContact CD1-CG2 4.04Å; L135-I378 WeakPolarHBondContact CD1-O 3.28Å; I374-I378 HydrophobicContact CG2-CD1 3.77Å; I374-I378 HydrophobicContact CG2-CG1 4.32Å; I374-I378 VanDerWaalsContact O-CG1 3.27Å; I374-I378 WeakPolarHBondContact O-CG1 3.43Å; I374-I378 PolarHBondContact O-N 2.89Å; G375-I378 PolarHBondContact O-N 2.91Å; V376-I378 VanDerWaalsContact C-N 3.33Å; V376-I378 PolarHBondContact O-N 3.3Å; I378-L380 VanDerWaalsContact C-N 3.28Å; I378-L380 PolarHBondContact O-N 2.86Å; I378-G381 WeakPolarHBondContact O-CA 3.43Å; I378-G381 PolarHBondContact O-N 2.97Å; I378-I383 HydrophobicContact CD1-CG2 4.35Å; I378-I383 HydrophobicContact CG1-CB 3.68Å; I378-I383 HydrophobicContact CG1-CG2 3.61Å; I378-A388 HydrophobicContact CD1-CB 4.05Å
379	G	84.2	Confident	83.3	Confident	14 Å²	14	39.9 Å²	39.9	14%	0.144	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-33.7	179.6	0	0	0	0	0	113.8	L135 G375 V376 G381	L135-G379 WeakPolarHBondContact CD2-O 3.39Å; G375-G379 PolarHBondContact O-N 3.36Å; V376-G379 PolarHBondContact O-N 3.28Å; V376-G379 VanDerWaalsContact O-N 3.14Å; G379-G381 VanDerWaalsContact C-N 3.25Å; G379-G381 PolarHBondContact O-N 3.1Å
380	L	84.2	Confident	84.1	Confident	114 Å²	114	41.4 Å²	41.4	60%	0.597	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.4	173.2	-69.2	174	0	0	0	113.4	V376 I378 N382	V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 HydrophobicContact CG1-CG 4.39Å; V376-L380 WeakPolarHBondContact O-CG 3.49Å; V376-L380 PolarHBondContact O-N 2.79Å; I378-L380 VanDerWaalsContact C-N 3.28Å; I378-L380 PolarHBondContact O-N 2.86Å; L380-N382 VanDerWaalsContact C-N 3.34Å
381	G	80.7	Confident	84.6	Confident	51 Å²	51	41.3 Å²	41.3	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	6.4	-177.1	0	0	0	0	0	115	Q377 I378 G379	Q377-G381 PolarHBondContact O-N 2.61Å; I378-G381 WeakPolarHBondContact O-CA 3.43Å; I378-G381 PolarHBondContact O-N 2.97Å; G379-G381 VanDerWaalsContact C-N 3.25Å; G379-G381 PolarHBondContact O-N 3.1Å
382	N	79.8	Confident	84.9	Confident	98 Å²	98	41.3 Å²	41.3	52%	0.524	24%	0.243	S	C	.	.	S	Bend	trans	-74.4	-33.2	177.3	-69.7	-18.1	0	0	0	111.9	Q377 L380	Q377-N382 PolarHBondContact O-N 3.48Å; Q377-N382 PolarHBondContact OE1-ND2 2.85Å; L380-N382 VanDerWaalsContact C-N 3.34Å
383	I	82.2	Confident	85.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-107.2	125.1	174.5	-62.3	172.8	0	0	0	108.9	A338 I374 Q377 I378 L387	A338-I383 WeakPolarHBondContact O-CD1 3.25Å; I374-I383 HydrophobicContact CG2-CD1 4.14Å; Q377-I383 HydrophobicContact CB-CB 4.49Å; Q377-I383 HydrophobicContact CB-CD1 3.36Å; Q377-I383 HydrophobicContact CB-CG1 3.73Å; Q377-I383 HydrophobicContact CG-CD1 4.28Å; Q377-I383 PolarHBondContact O-N 3.2Å; Q377-I383 VanDerWaalsContact O-N 3.13Å; I378-I383 HydrophobicContact CD1-CG2 4.35Å; I378-I383 HydrophobicContact CG1-CB 3.68Å; I378-I383 HydrophobicContact CG1-CG2 3.61Å; I383-L387 HydrophobicContact CG2-CB 3.96Å; I383-L387 HydrophobicContact CG2-CD1 4.03Å
384	P	87	Confident	85.3	Confident	57 Å²	57	38.7 Å²	38.7	37%	0.37	23%	0.226	S	C	.	.			trans	-55.7	133.6	173.7	-27.8	33.8	0	0	0	112.9	H386 L387	P384-H386 WeakPolarHBondContact CB-CE1 3.27Å; P384-H386 WeakPolarHBondContact CB-ND1 3.42Å; P384-H386 PolarHBondContact O-N 3.16Å; P384-L387 HydrophobicContact CB-CD1 4.49Å; P384-L387 HydrophobicContact CB-CG 4.46Å; P384-L387 HydrophobicContact CG-CD1 4.34Å; P384-L387 WeakPolarHBondContact O-CB 2.95Å; P384-L387 PolarHBondContact O-N 2.78Å
385	P	88	Confident	84.9	Confident	46 Å²	46	38.7 Å²	38.7	30%	0.299	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-54.2	-31.4	-177.3	-32.4	38	0	0	0	115.8	L132 L135 L137 L387 A388	L132-P385 HydrophobicContact CD2-CB 3.62Å; L135-P385 HydrophobicContact CD1-CG 3.52Å; L137-P385 HydrophobicContact CD1-CB 3.63Å; L137-P385 HydrophobicContact CD1-CG 3.74Å; P385-L387 PolarHBondContact O-N 3.24Å; P385-A388 VanDerWaalsContact O-CB 3.25Å; P385-A388 WeakPolarHBondContact O-CB 3.48Å; P385-A388 PolarHBondContact O-N 3.02Å; P385-A388 VanDerWaalsContact O-N 3.15Å
386	H	87.2	Confident	84.3	Confident	140 Å²	140	38.8 Å²	38.8	65%	0.648	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-68	-15.4	180	67.5	-92.7	0	0	0	113.4	P384 A388	P384-H386 WeakPolarHBondContact CB-CE1 3.27Å; P384-H386 WeakPolarHBondContact CB-ND1 3.42Å; P384-H386 PolarHBondContact O-N 3.16Å; H386-A388 VanDerWaalsContact C-N 3.27Å
387	L	89.2	Confident	83.4	Confident	20 Å²	20	36.6 Å²	36.6	11%	0.105	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-80	-6.6	174.8	-64.2	-179.7	0	0	0	113.4	P341 L344 I383 P384 P385 L389 P390 A391	P341-L387 HydrophobicContact CG-CD1 3.93Å; P341-L387 HydrophobicContact CG-CD2 4.38Å; L344-L387 HydrophobicContact CD1-CB 4.27Å; L344-L387 HydrophobicContact CD1-CD1 4.45Å; I383-L387 HydrophobicContact CG2-CB 3.96Å; I383-L387 HydrophobicContact CG2-CD1 4.03Å; P384-L387 HydrophobicContact CB-CD1 4.49Å; P384-L387 HydrophobicContact CB-CG 4.46Å; P384-L387 HydrophobicContact CG-CD1 4.34Å; P384-L387 WeakPolarHBondContact O-CB 2.95Å; P384-L387 PolarHBondContact O-N 2.78Å; P385-L387 PolarHBondContact O-N 3.24Å; L387-L389 PolarHBondContact O-N 2.67Å; L387-P390 HydrophobicContact CD2-CG 4.49Å; L387-P390 WeakPolarHBondContact O-CD 3.42Å; L387-A391 VanDerWaalsContact O-CB 3.28Å; L387-A391 WeakPolarHBondContact O-CB 3.41Å; L387-A391 PolarHBondContact O-N 3.22Å
388	A	90.6	Very high	82.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-55.3	-39.4	175.3	0	0	0	0	0	112.6	I128 L132 L142 I378 P385 H386 A391 L392	I128-A388 HydrophobicContact CG2-CB 3.65Å; L132-A388 HydrophobicContact CD1-CB 4.33Å; L142-A388 HydrophobicContact CD1-CB 3.89Å; L142-A388 HydrophobicContact CD2-CB 4.22Å; I378-A388 HydrophobicContact CD1-CB 4.05Å; P385-A388 VanDerWaalsContact O-CB 3.25Å; P385-A388 WeakPolarHBondContact O-CB 3.48Å; P385-A388 PolarHBondContact O-N 3.02Å; P385-A388 VanDerWaalsContact O-N 3.15Å; H386-A388 VanDerWaalsContact C-N 3.27Å; A388-A391 PolarHBondContact O-N 3.49Å; A388-L392 WeakPolarHBondContact O-CG 3.4Å; A388-L392 PolarHBondContact O-N 2.8Å
389	L	90.3	Very high	80.7	Confident	39 Å²	39	35 Å²	35	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-54.9	179.8	178	72.7	0	0	0	112.2	L142 Y146 V149 L387 A391 L392 F393	L142-L389 HydrophobicContact CD1-CB 3.99Å; L142-L389 HydrophobicContact CD1-CD1 4.47Å; Y146-L389 HydrophobicContact CD2-CD1 4.22Å; V149-L389 HydrophobicContact CG2-CD2 4.25Å; L387-L389 PolarHBondContact O-N 2.67Å; L389-A391 PolarHBondContact O-N 3.27Å; L389-L392 WeakPolarHBondContact O-CB 3.48Å; L389-L392 PolarHBondContact O-N 3.04Å; L389-L392 VanDerWaalsContact O-N 3.1Å; L389-F393 HydrophobicContact CD1-CD2 4.16Å; L389-F393 HydrophobicContact CD1-CE2 3.67Å; L389-F393 HydrophobicContact CG-CD2 4.28Å; L389-F393 HydrophobicContact CG-CE2 4.11Å; L389-F393 WeakPolarHBondContact O-CD2 3.47Å; L389-F393 PolarHBondContact O-N 3.38Å
390	P	86.8	Confident	79.4	Confident	63 Å²	63	34.8 Å²	34.8	41%	0.409	21%	0.207	S	C	.	.	H	α-helix	trans	-52.1	-39.4	171	-28.4	32.8	0	0	0	113.7	L387 L392 F393 A394	L387-P390 HydrophobicContact CD2-CG 4.49Å; L387-P390 WeakPolarHBondContact O-CD 3.42Å; P390-L392 PolarHBondContact O-N 2.78Å; P390-F393 PolarHBondContact O-N 3.04Å; P390-A394 WeakPolarHBondContact O-CB 3.47Å; P390-A394 PolarHBondContact O-N 2.83Å
391	A	87.4	Confident	78.1	Confident	1 Å²	1	30 Å²	30	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-41	177.4	0	0	0	0	0	112.6	I128 L344 I374 L387 A388 L389 F393 A394 I395	I128-A391 HydrophobicContact CD1-CB 3.64Å; L344-A391 HydrophobicContact CD2-CB 4.24Å; I374-A391 HydrophobicContact CD1-CB 3.94Å; I374-A391 HydrophobicContact CG2-CB 3.85Å; L387-A391 VanDerWaalsContact O-CB 3.28Å; L387-A391 WeakPolarHBondContact O-CB 3.41Å; L387-A391 PolarHBondContact O-N 3.22Å; A388-A391 PolarHBondContact O-N 3.49Å; L389-A391 PolarHBondContact O-N 3.27Å; A391-F393 PolarHBondContact O-N 2.8Å; A391-A394 PolarHBondContact O-N 3.37Å; A391-I395 WeakPolarHBondContact O-CG1 3.22Å; A391-I395 PolarHBondContact O-N 3.05Å
392	L	89	Confident	76.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-46.9	173.5	-73.9	166.8	0	0	0	111.3	Y125 I128 L142 Y146 A388 L389 P390 A394 N396	Y125-L392 HydrophobicContact CD2-CD1 4.03Å; Y125-L392 HydrophobicContact CD2-CD2 4.09Å; Y125-L392 HydrophobicContact CE2-CD1 4.31Å; I128-L392 HydrophobicContact CB-CD2 4.34Å; I128-L392 HydrophobicContact CD1-CB 4.46Å; I128-L392 HydrophobicContact CD1-CD2 3.83Å; I128-L392 HydrophobicContact CD1-CG 3.89Å; L142-L392 HydrophobicContact CD1-CD1 3.82Å; L142-L392 HydrophobicContact CD2-CD1 4.15Å; L142-L392 HydrophobicContact CG-CD1 4.04Å; Y146-L392 HydrophobicContact CD1-CD1 4Å; Y146-L392 HydrophobicContact CD2-CB 4.22Å; Y146-L392 HydrophobicContact CD2-CD1 4.27Å; Y146-L392 HydrophobicContact CE1-CD1 4.33Å; Y146-L392 HydrophobicContact CE1-CD2 4.44Å; Y146-L392 HydrophobicContact CE2-CB 3.92Å; Y146-L392 HydrophobicContact CG-CD1 3.96Å; A388-L392 WeakPolarHBondContact O-CG 3.4Å; A388-L392 PolarHBondContact O-N 2.8Å; L389-L392 WeakPolarHBondContact O-CB 3.48Å; L389-L392 PolarHBondContact O-N 3.04Å; L389-L392 VanDerWaalsContact O-N 3.1Å; P390-L392 PolarHBondContact O-N 2.78Å; L392-A394 VanDerWaalsContact C-N 3.33Å; L392-A394 PolarHBondContact O-N 3.31Å; L392-N396 WeakPolarHBondContact O-CB 3.2Å; L392-N396 PolarHBondContact O-N 3.47Å
393	F	85.8	Confident	76	Confident	40 Å²	40	28.1 Å²	28.1	18%	0.175	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-36.3	177.6	-78.8	-84.7	0	0	0	112.6	Y105 Y146 V149 T153 L389 P390 A391 A397	Y105-F393 HydrophobicContact CE1-CD1 4.24Å; Y105-F393 AromaticContact CE1-CE1 3.91Å; Y105-F393 HydrophobicContact CE1-CE1 3.91Å; Y105-F393 WeakPolarHBondContact OH-CD1 3.3Å; Y146-F393 HydrophobicContact CD2-CD2 4.25Å; Y146-F393 AromaticContact CD2-CE2 3.63Å; Y146-F393 HydrophobicContact CD2-CE2 3.63Å; Y146-F393 AromaticContact CD2-CZ 3.75Å; Y146-F393 HydrophobicContact CD2-CZ 3.75Å; Y146-F393 HydrophobicContact CE2-CD2 4.3Å; Y146-F393 HydrophobicContact CE2-CE1 4.31Å; Y146-F393 HydrophobicContact CE2-CE2 4Å; Y146-F393 AromaticContact CE2-CZ 3.96Å; Y146-F393 HydrophobicContact CE2-CZ 3.96Å; V149-F393 HydrophobicContact CB-CE2 3.86Å; V149-F393 HydrophobicContact CB-CZ 3.63Å; V149-F393 HydrophobicContact CG1-CE1 4.03Å; V149-F393 HydrophobicContact CG1-CE2 3.63Å; V149-F393 HydrophobicContact CG1-CZ 3.36Å; T153-F393 HydrophobicContact CG2-CE1 4.21Å; L389-F393 HydrophobicContact CD1-CD2 4.16Å; L389-F393 HydrophobicContact CD1-CE2 3.67Å; L389-F393 HydrophobicContact CG-CD2 4.28Å; L389-F393 HydrophobicContact CG-CE2 4.11Å; L389-F393 WeakPolarHBondContact O-CD2 3.47Å; L389-F393 PolarHBondContact O-N 3.38Å; P390-F393 PolarHBondContact O-N 3.04Å; A391-F393 PolarHBondContact O-N 2.8Å; F393-A397 PolarHBondContact O-N 3.19Å
394	A	79.7	Confident	75.3	Confident	9 Å²	9	28.1 Å²	28.1	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-46	179.6	0	0	0	0	0	112.5	A348 P390 A391 L392	A348-A394 HydrophobicContact CB-CB 3.81Å; P390-A394 WeakPolarHBondContact O-CB 3.47Å; P390-A394 PolarHBondContact O-N 2.83Å; A391-A394 PolarHBondContact O-N 3.37Å; L392-A394 VanDerWaalsContact C-N 3.33Å; L392-A394 PolarHBondContact O-N 3.31Å
395	I	75.3	Confident	73.9	Confident	2 Å²	2	28 Å²	28	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-80.6	-21.1	-179.8	67.7	179.8	0	0	0	113	V124 I128 A367 I370 I374 A391 A397	V124-I395 HydrophobicContact CG1-CD1 3.57Å; V124-I395 HydrophobicContact CG1-CG1 3.87Å; I128-I395 HydrophobicContact CD1-CD1 3.53Å; I128-I395 HydrophobicContact CD1-CG1 4.36Å; I128-I395 HydrophobicContact CG1-CD1 4.24Å; A367-I395 HydrophobicContact CB-CB 4.17Å; A367-I395 HydrophobicContact CB-CG1 4.46Å; A367-I395 WeakPolarHBondContact O-CD1 3.31Å; I370-I395 HydrophobicContact CB-CG2 4.13Å; I370-I395 HydrophobicContact CG2-CG2 3.58Å; I374-I395 HydrophobicContact CD1-CG2 4.3Å; A391-I395 WeakPolarHBondContact O-CG1 3.22Å; A391-I395 PolarHBondContact O-N 3.05Å; I395-A397 VanDerWaalsContact C-N 3.32Å
396	N	72.3	Confident	72.6	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.3	-179.9	-162.2	65.1	0	0	0	113.6	Y105 H108 Y146 L392 Q398 A399	Y105-N396 WeakPolarHBondContact CE2-ND2 3.41Å; Y105-N396 WeakPolarHBondContact CE2-O 3.27Å; H108-N396 WeakPolarHBondContact CB-ND2 3.13Å; H108-N396 VanDerWaalsContact CB-OD1 3.22Å; H108-N396 WeakPolarHBondContact CB-OD1 3.41Å; H108-N396 PolarHBondContact ND1-OD1 2.89Å; Y146-N396 PolarHBondContact OH-ND2 2.9Å; L392-N396 WeakPolarHBondContact O-CB 3.2Å; L392-N396 PolarHBondContact O-N 3.47Å; N396-Q398 VanDerWaalsContact C-N 3.33Å; N396-Q398 PolarHBondContact O-N 3.41Å; N396-A399 PolarHBondContact O-N 2.97Å; N396-A399 WeakPolarHBondContact OD1-CB 3.15Å
397	A	63.7	Low	71.8	Confident	27 Å²	27	23 Å²	23	22%	0.223	14%	0.136	C	C	.	.	S	Bend	trans	-62.9	-36.5	-176.5	0	0	0	0	0	113.2	F393 I395	F393-A397 PolarHBondContact O-N 3.19Å; I395-A397 VanDerWaalsContact C-N 3.32Å
398	Q	56.6	Low	71.1	Confident	5 Å²	5	22 Å²	22	2%	0.023	13%	0.131	C	C	.	.	S	Bend	trans	-81.4	-22	175.9	-105.4	156.9	15.8	0	0	114.5	I350 C351 F353 N396 A400 C401	I350-Q398 PolarHBondContact O-NE2 3.47Å; C351-Q398 WeakPolarHBondContact O-CB 3.3Å; C351-Q398 WeakPolarHBondContact O-CG 3.46Å; C351-Q398 PolarHBondContact O-N 3.41Å; C351-Q398 VanDerWaalsContact O-N 3.08Å; C351-Q398 PolarHBondContact O-NE2 3.25Å; C351-Q398 PolarHBondContact O-OE1 3.45Å; F353-Q398 PolarHBondContact O-NE2 3.3Å; N396-Q398 VanDerWaalsContact C-N 3.33Å; N396-Q398 PolarHBondContact O-N 3.41Å; Q398-A400 PolarHBondContact O-N 2.9Å; Q398-A400 VanDerWaalsContact O-N 3.16Å; Q398-C401 VanDerWaalsContact O-CB 3.3Å; Q398-C401 WeakPolarHBondContact O-CB 3.05Å; Q398-C401 PolarHBondContact O-N 2.99Å
399	A	54.7	Low	69.9	Low	7 Å²	7	25.5 Å²	25.5	6%	0.058	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	122.9	-168.8	0	0	0	0	0	109.3	H108 N396	H108-A399 WeakPolarHBondContact CE1-CB 3.36Å; H108-A399 WeakPolarHBondContact NE2-CB 3.4Å; N396-A399 PolarHBondContact O-N 2.97Å; N396-A399 WeakPolarHBondContact OD1-CB 3.15Å
400	A	56.4	Low	68.8	Low	8 Å²	8	26.3 Å²	26.3	7%	0.066	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	10.6	-168.1	0	0	0	0	0	118.6	Y100 S104 Q398 D402 I404	Y100-A400 PolarHBondContact OH-O 3.45Å; S104-A400 VanDerWaalsContact CB-CB 3.42Å; Q398-A400 PolarHBondContact O-N 2.9Å; Q398-A400 VanDerWaalsContact O-N 3.16Å; A400-D402 WeakPolarHBondContact CA-OD1 3.21Å; A400-D402 PolarHBondContact N-OD1 3.33Å; A400-I404 WeakPolarHBondContact O-CG1 3.46Å
401	C	57.8	Low	68.3	Low	14 Å²	14	23.4 Å²	23.4	10%	0.095	14%	0.141	C	C	.	.	S	Bend	trans	-74.1	-30.2	166.7	-74.7	0	0	0	0	112.3	Q398 I404 L426	Q398-C401 VanDerWaalsContact O-CB 3.3Å; Q398-C401 WeakPolarHBondContact O-CB 3.05Å; Q398-C401 PolarHBondContact O-N 2.99Å; C401-I404 WeakPolarHBondContact O-CD1 3.38Å; C401-I404 WeakPolarHBondContact O-CG1 3.45Å; C401-L426 HydrophobicContact CB-CD2 3.64Å
402	D	53.2	Low	67.7	Low	55 Å²	55	29.4 Å²	29.4	29%	0.294	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.9	174.5	56.6	-20.6	0	0	0	113.3	A400 I404	A400-D402 WeakPolarHBondContact CA-OD1 3.21Å; A400-D402 PolarHBondContact N-OD1 3.33Å; D402-I404 VanDerWaalsContact C-N 3.33Å; D402-I404 PolarHBondContact O-N 3.27Å
403	F	62.1	Low	67	Low	55 Å²	55	30.2 Å²	30.2	24%	0.241	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.9	-178.1	-78.1	-80.9	0	0	0	114.9	Y100 V406 G407	Y100-F403 WeakPolarHBondContact OH-CB 3.03Å; Y100-F403 PolarHBondContact OH-O 3.5Å; F403-V406 HydrophobicContact CD1-CB 4.37Å; F403-V406 HydrophobicContact CD1-CG1 4.47Å; F403-V406 PolarHBondContact O-N 3.47Å; F403-G407 PolarHBondContact O-N 3.32Å
404	I	67.4	Low	66.5	Low	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-50	-171.6	-57.9	159	0	0	0	112.6	Y100 A400 C401 D402 V406 G407 L408 V422 V425 L426	Y100-I404 HydrophobicContact CD1-CG1 4.22Å; Y100-I404 HydrophobicContact CD1-CG2 4.33Å; Y100-I404 HydrophobicContact CE1-CB 4.02Å; Y100-I404 HydrophobicContact CE1-CG1 3.38Å; Y100-I404 HydrophobicContact CE1-CG2 4.22Å; Y100-I404 VanDerWaalsContact CZ-CA 3.46Å; Y100-I404 WeakPolarHBondContact OH-CA 3.48Å; Y100-I404 PolarHBondContact OH-N 2.95Å; Y100-I404 VanDerWaalsContact OH-N 3.09Å; A400-I404 WeakPolarHBondContact O-CG1 3.46Å; C401-I404 WeakPolarHBondContact O-CD1 3.38Å; C401-I404 WeakPolarHBondContact O-CG1 3.45Å; D402-I404 VanDerWaalsContact C-N 3.33Å; D402-I404 PolarHBondContact O-N 3.27Å; I404-V406 VanDerWaalsContact C-N 3.32Å; I404-V406 PolarHBondContact O-N 2.7Å; I404-G407 PolarHBondContact O-N 2.71Å; I404-L408 HydrophobicContact CG2-CD1 3.83Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.03Å; I404-L408 WeakPolarHBondContact O-CG 3.22Å; I404-L408 PolarHBondContact O-N 2.92Å; I404-V422 HydrophobicContact CG2-CG2 3.99Å; I404-V425 HydrophobicContact CD1-CB 3.74Å; I404-V425 HydrophobicContact CD1-CG1 3.33Å; I404-V425 HydrophobicContact CG1-CB 4.32Å; I404-V425 HydrophobicContact CG1-CG1 3.81Å; I404-V425 HydrophobicContact CG2-CB 4.26Å; I404-V425 HydrophobicContact CG2-CG2 4.36Å; I404-L426 HydrophobicContact CD1-CD1 3.81Å; I404-L426 HydrophobicContact CD1-CD2 3.36Å; I404-L426 HydrophobicContact CD1-CG 3.29Å
405	P	57.6	Low	66	Low	56 Å²	56	42.2 Å²	42.2	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-41.4	179.4	-20.9	33.8	0	0	0	112	S409 V422	P405-S409 WeakPolarHBondContact O-CB 3.48Å; P405-S409 PolarHBondContact O-N 3.41Å; P405-S409 PolarHBondContact O-OG 3.49Å; P405-V422 HydrophobicContact CB-CG2 4.46Å; P405-V422 HydrophobicContact CG-CG2 3.98Å
406	V	62.3	Low	65.9	Low	78 Å²	78	45.9 Å²	45.9	47%	0.473	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-44.2	179.2	178.7	0	0	0	0	110.8	F403 I404 S409 L410	F403-V406 HydrophobicContact CD1-CB 4.37Å; F403-V406 HydrophobicContact CD1-CG1 4.47Å; F403-V406 PolarHBondContact O-N 3.47Å; I404-V406 VanDerWaalsContact C-N 3.32Å; I404-V406 PolarHBondContact O-N 2.7Å; V406-S409 WeakPolarHBondContact O-CB 3.28Å; V406-S409 PolarHBondContact O-N 3.18Å; V406-L410 HydrophobicContact CG1-CD1 4.37Å; V406-L410 WeakPolarHBondContact O-CG 3.4Å; V406-L410 PolarHBondContact O-N 3.15Å
407	G	69.1	Low	65.9	Low	1 Å²	1	45.9 Å²	45.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-38.9	180	0	0	0	0	0	113.5	F403 I404 S409 L410 A411	F403-G407 PolarHBondContact O-N 3.32Å; I404-G407 PolarHBondContact O-N 2.71Å; G407-S409 VanDerWaalsContact C-N 3.3Å; G407-L410 PolarHBondContact O-N 2.92Å; G407-A411 PolarHBondContact O-N 3.31Å
408	L	74	Confident	66.2	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-35.8	171.5	-69.3	177.3	0	0	0	111.3	K96 I404 A411 E412 A413 V418 V422	K96-L408 HydrophobicContact CB-CD2 4.24Å; I404-L408 HydrophobicContact CG2-CD1 3.83Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.03Å; I404-L408 WeakPolarHBondContact O-CG 3.22Å; I404-L408 PolarHBondContact O-N 2.92Å; L408-A411 CarbonylContact O-C 3.55Å; L408-A411 WeakPolarHBondContact O-CB 3.37Å; L408-A411 PolarHBondContact O-N 3.45Å; L408-E412 PolarHBondContact O-N 3.49Å; L408-A413 HydrophobicContact CB-CB 3.94Å; L408-A413 WeakPolarHBondContact O-CB 3.48Å; L408-A413 PolarHBondContact O-N 2.83Å; L408-V418 HydrophobicContact CB-CG2 3.98Å; L408-V422 HydrophobicContact CD1-CG2 4.41Å
409	S	66.1	Low	66.6	Low	75 Å²	75	50.4 Å²	50.4	52%	0.524	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-41.8	172.8	-58	0	0	0	0	112.1	P405 V406 G407 A411 E412	P405-S409 WeakPolarHBondContact O-CB 3.48Å; P405-S409 PolarHBondContact O-N 3.41Å; P405-S409 PolarHBondContact O-OG 3.49Å; V406-S409 WeakPolarHBondContact O-CB 3.28Å; V406-S409 PolarHBondContact O-N 3.18Å; G407-S409 VanDerWaalsContact C-N 3.3Å; S409-A411 PolarHBondContact O-N 3.04Å; S409-E412 WeakPolarHBondContact O-CA 3.26Å; S409-E412 PolarHBondContact O-N 2.8Å
410	L	67.4	Low	67.5	Low	56 Å²	56	50 Å²	50	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-30.2	172.9	-72.5	172.4	0	0	0	112.2	P82 S86 V406 G407 E412	P82-L410 HydrophobicContact CB-CD1 3.9Å; P82-L410 HydrophobicContact CG-CD1 4.19Å; S86-L410 WeakPolarHBondContact CA-O 2.86Å; V406-L410 HydrophobicContact CG1-CD1 4.37Å; V406-L410 WeakPolarHBondContact O-CG 3.4Å; V406-L410 PolarHBondContact O-N 3.15Å; G407-L410 PolarHBondContact O-N 2.92Å; L410-E412 PolarHBondContact O-N 3.37Å
411	A	75.6	Confident	68.1	Low	2 Å²	2	49.7 Å²	49.7	2%	0.017	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9.8	172.8	0	0	0	0	0	113.6	R89 K96 G407 L408 S409 A413	R89-A411 WeakPolarHBondContact CA-O 3.19Å; R89-A411 PolarHBondContact N-O 2.87Å; K96-A411 HydrophobicContact CD-CB 4.46Å; K96-A411 WeakPolarHBondContact CE-O 3.21Å; K96-A411 PolarHBondContact NZ-O 2.98Å; G407-A411 PolarHBondContact O-N 3.31Å; L408-A411 CarbonylContact O-C 3.55Å; L408-A411 WeakPolarHBondContact O-CB 3.37Å; L408-A411 PolarHBondContact O-N 3.45Å; S409-A411 PolarHBondContact O-N 3.04Å; A411-A413 PolarHBondContact O-N 3.25Å; A411-A413 VanDerWaalsContact O-N 3.13Å
412	E	75.9	Confident	68.5	Low	126 Å²	126	50.7 Å²	50.7	59%	0.589	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.6	-176.2	-59.7	172.4	-157.5	0	0	111.8	R89 K96 L408 S409 L410	R89-E412 HydrophobicContact CB-CB 4.17Å; R89-E412 HydrophobicContact CB-CG 4.15Å; R89-E412 WeakPolarHBondContact CD-OE1 3.26Å; K96-E412 PolarHBondContact NZ-O 3.33Å; L408-E412 PolarHBondContact O-N 3.49Å; S409-E412 WeakPolarHBondContact O-CA 3.26Å; S409-E412 PolarHBondContact O-N 2.8Å; L410-E412 PolarHBondContact O-N 3.37Å
413	A	74.8	Confident	68.5	Low	17 Å²	17	49.6 Å²	49.6	14%	0.14	25%	0.254	C	S	.	.			trans	-65.8	139.4	178.8	0	0	0	0	0	110.7	K96 L408 A411 T417 V418	K96-A413 HydrophobicContact CD-CB 3.82Å; L408-A413 HydrophobicContact CB-CB 3.94Å; L408-A413 WeakPolarHBondContact O-CB 3.48Å; L408-A413 PolarHBondContact O-N 2.83Å; A411-A413 PolarHBondContact O-N 3.25Å; A411-A413 VanDerWaalsContact O-N 3.13Å; A413-T417 HydrophobicContact CB-CG2 4.1Å; A413-V418 HydrophobicContact CB-CG2 3.9Å
414	R	74	Confident	68.4	Low	136 Å²	136	47.1 Å²	47.1	51%	0.513	24%	0.244	S	C	.	.			trans	-64.3	156.4	172.1	-68.3	-178.2	-176.9	-171.6	0.9	110	E93 E177 D416 T417 V418	E93-R414 HydrophobicContact CG-CG 4.42Å; E93-R414 PolarHBondContact OE2-N 2.82Å; E93-R414 VanDerWaalsContact OE2-N 3.17Å; E177-R414 IonicContact OE2-CZ 3.51Å; E177-R414 IonicContact OE2-NH1 3.59Å; E177-R414 PolarHBondContact OE2-NH1 3.31Å; R414-D416 VanDerWaalsContact C-N 3.28Å; R414-D416 PolarHBondContact O-N 2.92Å; R414-T417 CarbonylContact O-C 3.56Å; R414-T417 WeakPolarHBondContact O-CA 3.15Å; R414-T417 WeakPolarHBondContact O-CB 3.33Å; R414-T417 PolarHBondContact O-N 3.03Å; R414-V418 WeakPolarHBondContact O-CG2 3.32Å; R414-V418 PolarHBondContact O-N 3.25Å
415	Q	69.5	Low	67.8	Low	165 Å²	165	48.3 Å²	48.3	77%	0.771	25%	0.251	S	S	*	.	H	α-helix	trans	-55.6	-42.7	179.1	-74.1	-166.6	-24.2	0	0	112.4	T417 V418 R419	Q415-T417 VanDerWaalsContact C-N 3.28Å; Q415-T417 PolarHBondContact O-N 3.1Å; Q415-V418 CarbonylContact O-C 3.47Å; Q415-V418 WeakPolarHBondContact O-CB 3.49Å; Q415-V418 PolarHBondContact O-N 3.09Å; Q415-V418 VanDerWaalsContact O-N 3.09Å; Q415-R419 WeakPolarHBondContact O-CB 3.47Å; Q415-R419 VanDerWaalsContact O-CG 3.27Å; Q415-R419 WeakPolarHBondContact O-CG 3.37Å; Q415-R419 PolarHBondContact O-N 2.97Å
416	D	73.1	Confident	67.7	Low	80 Å²	80	47.3 Å²	47.3	43%	0.428	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-37.4	175.1	-69.7	-21.2	0	0	0	112.8	I174 L176 R414 R419 V420	I174-D416 HydrophobicContact CD1-CB 4.45Å; I174-D416 HydrophobicContact CG2-CB 3.81Å; L176-D416 HydrophobicContact CD2-CB 4.34Å; R414-D416 VanDerWaalsContact C-N 3.28Å; R414-D416 PolarHBondContact O-N 2.92Å; D416-R419 PolarHBondContact O-N 3.46Å; D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.45Å; D416-V420 PolarHBondContact O-N 3.35Å
417	T	73.1	Confident	66.4	Low	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-34.3	174.9	-51	0	0	0	0	112.1	E93 K96 P97 L176 A413 R414 Q415 G421	E93-T417 HydrophobicContact CB-CG2 4.26Å; E93-T417 WeakPolarHBondContact CB-OG1 3.49Å; E93-T417 VanDerWaalsContact O-CG2 3.23Å; E93-T417 WeakPolarHBondContact O-CG2 3.33Å; E93-T417 WeakPolarHBondContact OE2-CB 3.4Å; E93-T417 WeakPolarHBondContact OE2-CG2 3.18Å; E93-T417 PolarHBondContact OE2-OG1 2.81Å; K96-T417 HydrophobicContact CB-CG2 4.19Å; P97-T417 HydrophobicContact CG-CG2 4.32Å; L176-T417 HydrophobicContact CD1-CG2 4.44Å; L176-T417 WeakPolarHBondContact CD2-OG1 3.26Å; A413-T417 HydrophobicContact CB-CG2 4.1Å; R414-T417 CarbonylContact O-C 3.56Å; R414-T417 WeakPolarHBondContact O-CA 3.15Å; R414-T417 WeakPolarHBondContact O-CB 3.33Å; R414-T417 PolarHBondContact O-N 3.03Å; Q415-T417 VanDerWaalsContact C-N 3.28Å; Q415-T417 PolarHBondContact O-N 3.1Å; T417-G421 WeakPolarHBondContact O-CA 3.29Å; T417-G421 PolarHBondContact O-N 2.83Å
418	V	69.8	Low	64.4	Low	29 Å²	29	51.3 Å²	51.3	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-44.7	170.4	180	0	0	0	0	110.2	L408 A413 R414 Q415 G421 V422	L408-V418 HydrophobicContact CB-CG2 3.98Å; A413-V418 HydrophobicContact CB-CG2 3.9Å; R414-V418 WeakPolarHBondContact O-CG2 3.32Å; R414-V418 PolarHBondContact O-N 3.25Å; Q415-V418 CarbonylContact O-C 3.47Å; Q415-V418 WeakPolarHBondContact O-CB 3.49Å; Q415-V418 PolarHBondContact O-N 3.09Å; Q415-V418 VanDerWaalsContact O-N 3.09Å; V418-G421 PolarHBondContact O-N 3.48Å; V418-V422 HydrophobicContact CG1-CG2 3.87Å; V418-V422 WeakPolarHBondContact O-CB 3.48Å; V418-V422 VanDerWaalsContact O-CG2 3.23Å; V418-V422 WeakPolarHBondContact O-CG2 3.31Å; V418-V422 PolarHBondContact O-N 2.95Å
419	R	65	Low	62.2	Low	97 Å²	97	57.7 Å²	57.7	37%	0.366	30%	0.299	S	S	.	.	H	α-helix	trans	-66.1	-39.4	-178.6	-71	178.7	89.8	-167.5	3.8	113.3	M172 Q415 D416 P423 E450	M172-R419 WeakPolarHBondContact CE-O 3.19Å; Q415-R419 WeakPolarHBondContact O-CB 3.47Å; Q415-R419 VanDerWaalsContact O-CG 3.27Å; Q415-R419 WeakPolarHBondContact O-CG 3.37Å; Q415-R419 PolarHBondContact O-N 2.97Å; D416-R419 PolarHBondContact O-N 3.46Å; R419-P423 WeakPolarHBondContact O-CD 3.45Å; R419-P423 WeakPolarHBondContact O-CG 3.3Å; R419-E450 IonicContact CZ-OE1 3.79Å; R419-E450 IonicContact NE-OE1 2.87Å; R419-E450 PolarHBondContact NE-OE1 3.1Å; R419-E450 IonicContact NE-OE2 2.78Å; R419-E450 IonicContact NH2-OE1 3.26Å; R419-E450 PolarHBondContact NH2-OE1 3.2Å
420	V	73.1	Confident	61	Low	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-73.1	-44.7	169.7	173.6	0	0	0	0	109.7	T165 F168 E169 M172 I174 D416 P423 S424	T165-V420 HydrophobicContact CG2-CG1 3.85Å; F168-V420 HydrophobicContact CB-CG1 3.71Å; E169-V420 HydrophobicContact CG-CG1 4.08Å; M172-V420 HydrophobicContact SD-CB 4.48Å; M172-V420 HydrophobicContact SD-CG2 3.91Å; I174-V420 HydrophobicContact CB-CG2 3.85Å; I174-V420 HydrophobicContact CD1-CG2 3.79Å; I174-V420 HydrophobicContact CG1-CG2 4.4Å; I174-V420 HydrophobicContact CG2-CG2 3.78Å; D416-V420 WeakPolarHBondContact O-CB 3.37Å; D416-V420 WeakPolarHBondContact O-CG2 3.45Å; D416-V420 PolarHBondContact O-N 3.35Å; V420-P423 VanDerWaalsContact O-CD 3.29Å; V420-P423 WeakPolarHBondContact O-CD 3.37Å; V420-P423 WeakPolarHBondContact O-CG 3.29Å; V420-S424 WeakPolarHBondContact O-CB 3.28Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.4Å
421	G	68.4	Low	59.8	Low	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-42.8	-170.5	0	0	0	0	0	114.6	T417 V418 S424 V425	T417-G421 WeakPolarHBondContact O-CA 3.29Å; T417-G421 PolarHBondContact O-N 2.83Å; V418-G421 PolarHBondContact O-N 3.48Å; G421-S424 PolarHBondContact O-N 3.23Å; G421-V425 WeakPolarHBondContact O-CB 3.43Å; G421-V425 VanDerWaalsContact O-CG2 3.26Å; G421-V425 WeakPolarHBondContact O-CG2 3.48Å; G421-V425 PolarHBondContact O-N 3.41Å
422	V	66.9	Low	58.7	Low	35 Å²	35	64.2 Å²	64.2	21%	0.212	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-55.5	178.2	170.6	0	0	0	0	111.5	I404 P405 L408 V418 V425 L426	I404-V422 HydrophobicContact CG2-CG2 3.99Å; P405-V422 HydrophobicContact CB-CG2 4.46Å; P405-V422 HydrophobicContact CG-CG2 3.98Å; L408-V422 HydrophobicContact CD1-CG2 4.41Å; V418-V422 HydrophobicContact CG1-CG2 3.87Å; V418-V422 WeakPolarHBondContact O-CB 3.48Å; V418-V422 VanDerWaalsContact O-CG2 3.23Å; V418-V422 WeakPolarHBondContact O-CG2 3.31Å; V418-V422 PolarHBondContact O-N 2.95Å; V422-V425 PolarHBondContact O-N 2.9Å; V422-L426 HydrophobicContact CG1-CD1 3.92Å; V422-L426 VanDerWaalsContact O-CB 3.24Å; V422-L426 WeakPolarHBondContact O-CB 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.48Å; V422-L426 PolarHBondContact O-N 3.38Å
423	P	53.7	Low	57.8	Low	32 Å²	32	58.7 Å²	58.7	21%	0.208	30%	0.298	C	S	.	.	H	α-helix	trans	-73.6	-26.9	175.7	28.7	-33.9	0	0	0	113	F168 M172 R419 V420 V425 L426 T427	F168-P423 HydrophobicContact CD1-CB 4.08Å; F168-P423 HydrophobicContact CD1-CG 4.03Å; F168-P423 HydrophobicContact CE1-CB 3.71Å; F168-P423 HydrophobicContact CE1-CG 4.17Å; F168-P423 HydrophobicContact CE2-CB 4.46Å; F168-P423 WeakPolarHBondContact CE2-O 3.47Å; F168-P423 HydrophobicContact CG-CG 4.38Å; F168-P423 HydrophobicContact CZ-CB 3.92Å; M172-P423 HydrophobicContact CE-CG 3.54Å; R419-P423 WeakPolarHBondContact O-CD 3.45Å; R419-P423 WeakPolarHBondContact O-CG 3.3Å; V420-P423 VanDerWaalsContact O-CD 3.29Å; V420-P423 WeakPolarHBondContact O-CD 3.37Å; V420-P423 WeakPolarHBondContact O-CG 3.29Å; P423-V425 PolarHBondContact O-N 2.81Å; P423-L426 CarbonylContact O-C 3.54Å; P423-L426 PolarHBondContact O-N 3.17Å; P423-T427 VanDerWaalsContact O-CA 3.22Å; P423-T427 WeakPolarHBondContact O-CA 3.22Å; P423-T427 WeakPolarHBondContact O-CB 3.27Å; P423-T427 PolarHBondContact O-N 3.04Å; P423-T427 PolarHBondContact O-OG1 3.46Å
424	S	58.9	Low	57	Low	4 Å²	4	62 Å²	62	3%	0.028	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-31.5	171.2	-61.2	0	0	0	0	112.3	T164 T165 F168 V420 G421	T164-S424 WeakPolarHBondContact CB-O 3.33Å; T164-S424 PolarHBondContact OG1-O 3.34Å; T165-S424 VanDerWaalsContact CA-OG 3.24Å; T165-S424 WeakPolarHBondContact CA-OG 3.45Å; F168-S424 VanDerWaalsContact CD2-OG 3.24Å; F168-S424 WeakPolarHBondContact CD2-OG 3.25Å; V420-S424 WeakPolarHBondContact O-CB 3.28Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.4Å; G421-S424 PolarHBondContact O-N 3.23Å
425	V	56.1	Low	56.4	Low	25 Å²	25	56.5 Å²	56.5	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-89	-30.1	173.7	-177.9	0	0	0	0	111.8	P97 Y100 T161 I404 G421 V422 P423	P97-V425 HydrophobicContact CB-CG2 4.39Å; Y100-V425 HydrophobicContact CD1-CG2 4.49Å; Y100-V425 HydrophobicContact CE1-CG1 4.47Å; T161-V425 HydrophobicContact CG2-CG2 3.92Å; I404-V425 HydrophobicContact CD1-CB 3.74Å; I404-V425 HydrophobicContact CD1-CG1 3.33Å; I404-V425 HydrophobicContact CG1-CB 4.32Å; I404-V425 HydrophobicContact CG1-CG1 3.81Å; I404-V425 HydrophobicContact CG2-CB 4.26Å; I404-V425 HydrophobicContact CG2-CG2 4.36Å; G421-V425 WeakPolarHBondContact O-CB 3.43Å; G421-V425 VanDerWaalsContact O-CG2 3.26Å; G421-V425 WeakPolarHBondContact O-CG2 3.48Å; G421-V425 PolarHBondContact O-N 3.41Å; V422-V425 PolarHBondContact O-N 2.9Å; P423-V425 PolarHBondContact O-N 2.81Å
426	L	54.7	Low	56.1	Low	34 Å²	34	48.7 Å²	48.7	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-108.1	7.8	-174	-67.6	-179.2	0	0	0	117.2	C401 I404 V422 P423 T428	C401-L426 HydrophobicContact CB-CD2 3.64Å; I404-L426 HydrophobicContact CD1-CD1 3.81Å; I404-L426 HydrophobicContact CD1-CD2 3.36Å; I404-L426 HydrophobicContact CD1-CG 3.29Å; V422-L426 HydrophobicContact CG1-CD1 3.92Å; V422-L426 VanDerWaalsContact O-CB 3.24Å; V422-L426 WeakPolarHBondContact O-CB 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.48Å; V422-L426 PolarHBondContact O-N 3.38Å; P423-L426 CarbonylContact O-C 3.54Å; P423-L426 PolarHBondContact O-N 3.17Å; L426-T428 PolarHBondContact O-N 2.9Å
427	T	35	Very low	55.5	Low	62 Å²	62	50 Å²	50	38%	0.38	28%	0.278	S	S	.	.			trans	-42.7	99.7	-164.4	-47.9	0	0	0	0	114.4	F168 P423	F168-T427 HydrophobicContact CE2-CG2 4.02Å; F168-T427 WeakPolarHBondContact CE2-OG1 3.31Å; F168-T427 HydrophobicContact CZ-CG2 3.52Å; F168-T427 WeakPolarHBondContact CZ-OG1 3.3Å; P423-T427 VanDerWaalsContact O-CA 3.22Å; P423-T427 WeakPolarHBondContact O-CA 3.22Å; P423-T427 WeakPolarHBondContact O-CB 3.27Å; P423-T427 PolarHBondContact O-N 3.04Å; P423-T427 PolarHBondContact O-OG1 3.46Å
428	T	26.7	Very low	54.9	Low	101 Å²	101	54.4 Å²	54.4	62%	0.62	30%	0.301	S	S	*	.				-179.2	147.3	112.4	-59.3	0	0	0	0	111.1	L426	L426-T428 PolarHBondContact O-N 2.9Å
429	I	29.3	Very low	54.8	Low	134 Å²	134	53.2 Å²	53.2	69%	0.687	30%	0.295	S	S	*	.			trans	-75.2	135	177.3	-63.4	167.9	0	0	0	111.7
430	T	40.8	Very low	55	Low	78 Å²	78	49.2 Å²	49.2	48%	0.479	28%	0.281	S	S	.	.			trans	-154.2	14.1	-175.9	41	0	0	0	0	120.5	L355	L355-T430 WeakPolarHBondContact CD1-OG1 3.46Å
431	R	40.5	Very low	54.6	Low	121 Å²	121	53.5 Å²	53.5	46%	0.457	31%	0.311	S	S	.	.			trans	-138.5	137.8	-174	-151.3	162.4	-179.2	180	1.4	119.7	L355	L355-R431 HydrophobicContact CD1-CB 4.08Å; L355-R431 HydrophobicContact CD1-CG 4.43Å; L355-R431 HydrophobicContact CD2-CB 3.95Å; L355-R431 VanDerWaalsContact CD2-CD 3.4Å; L355-R431 HydrophobicContact CD2-CG 4.29Å
432	I	52.8	Low	55	Low	71 Å²	71	58.5 Å²	58.5	36%	0.364	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-106.6	133.2	166.1	-60.9	165.7	0	0	0	106.9	A436 F461 I530	I432-A436 HydrophobicContact CG2-CB 4.07Å; I432-F461 HydrophobicContact CG1-CD1 4.37Å; I432-F461 HydrophobicContact CG1-CE1 4.48Å; I432-F461 HydrophobicContact CG2-CD1 3.99Å; I432-F461 HydrophobicContact CG2-CE1 3.63Å; I432-F461 HydrophobicContact CG2-CZ 4.42Å; I432-I530 WeakPolarHBondContact CD1-O 3.42Å
433	G	58.4	Low	55.5	Low	10 Å²	10	61 Å²	61	10%	0.103	35%	0.347	C	S	.	.			trans	-64.2	147.2	175.1	0	0	0	0	0	112.9	S435 A436 E457 E458 C460	G433-S435 PolarHBondContact O-N 3.18Å; G433-A436 VanDerWaalsContact O-CB 3.23Å; G433-A436 WeakPolarHBondContact O-CB 3.34Å; G433-A436 PolarHBondContact O-N 3.19Å; G433-E457 VanDerWaalsContact CA-O 3.28Å; G433-E457 WeakPolarHBondContact CA-O 3.33Å; G433-E458 CarbonylContact C-O 3.52Å; G433-E458 WeakPolarHBondContact CA-O 3.36Å; G433-C460 PolarHBondContact N-O 3.47Å; G433-C460 VanDerWaalsContact N-O 3.14Å
434	A	56.6	Low	56.6	Low	87 Å²	87	61.9 Å²	61.9	72%	0.719	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.4	-172.1	0	0	0	0	0	114.4	E458	A434-E458 PolarHBondContact N-O 3.03Å
435	S	61.4	Low	57.5	Low	21 Å²	21	61.7 Å²	61.7	15%	0.147	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.3	177.8	-60.7	0	0	0	0	112.9	G433 I437 D438 A439 E458	G433-S435 PolarHBondContact O-N 3.18Å; S435-I437 PolarHBondContact O-N 3.27Å; S435-D438 WeakPolarHBondContact O-CB 3.49Å; S435-D438 PolarHBondContact O-N 3.24Å; S435-A439 PolarHBondContact O-N 3.36Å; S435-E458 CarbonylContact C-O 3.55Å; S435-E458 WeakPolarHBondContact CA-O 3.18Å; S435-E458 WeakPolarHBondContact CB-O 3.48Å; S435-E458 PolarHBondContact N-O 2.83Å
436	A	64.4	Low	58.3	Low	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-27.2	177.3	0	0	0	0	0	111.6	I432 G433 L440 E458 F461	I432-A436 HydrophobicContact CG2-CB 4.07Å; G433-A436 VanDerWaalsContact O-CB 3.23Å; G433-A436 WeakPolarHBondContact O-CB 3.34Å; G433-A436 PolarHBondContact O-N 3.19Å; A436-L440 WeakPolarHBondContact O-CG 3.45Å; A436-L440 PolarHBondContact O-N 2.92Å; A436-E458 PolarHBondContact N-O 2.85Å; A436-F461 HydrophobicContact CB-CD2 4.03Å; A436-F461 HydrophobicContact CB-CE1 4.18Å; A436-F461 HydrophobicContact CB-CE2 3.58Å; A436-F461 HydrophobicContact CB-CZ 3.67Å
437	I	59.2	Low	58.8	Low	109 Å²	109	61 Å²	61	56%	0.559	34%	0.344	S	S	*	.	H	α-helix	trans	-72.3	-39.2	171.8	-60.8	174.8	0	0	0	111.3	S435 L440 S441	S435-I437 PolarHBondContact O-N 3.27Å; I437-L440 WeakPolarHBondContact O-CB 3.26Å; I437-L440 PolarHBondContact O-N 3.28Å; I437-S441 PolarHBondContact O-N 3.28Å; I437-S441 PolarHBondContact O-OG 2.97Å; I437-S441 VanDerWaalsContact O-OG 3.04Å
438	D	62.2	Low	60.1	Low	92 Å²	92	58.4 Å²	58.4	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-41.6	176.6	-58.8	-34.5	0	0	0	110.5	S435 L440 S441 D442	S435-D438 WeakPolarHBondContact O-CB 3.49Å; S435-D438 PolarHBondContact O-N 3.24Å; D438-L440 VanDerWaalsContact C-N 3.31Å; D438-L440 PolarHBondContact O-N 3.47Å; D438-S441 WeakPolarHBondContact O-CA 3.47Å; D438-S441 VanDerWaalsContact O-CB 3.27Å; D438-S441 WeakPolarHBondContact O-CB 3.02Å; D438-S441 PolarHBondContact O-N 3.13Å; D438-D442 PolarHBondContact O-N 3.44Å
439	A	67.4	Low	61.4	Low	5 Å²	5	57.1 Å²	57.1	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-44.2	172.6	0	0	0	0	0	111.8	S435 S441 D442 M444 Y459	S435-A439 PolarHBondContact O-N 3.36Å; A439-S441 VanDerWaalsContact C-N 3.27Å; A439-S441 PolarHBondContact O-N 3.47Å; A439-D442 PolarHBondContact O-N 3.35Å; A439-D442 VanDerWaalsContact O-N 3.14Å; A439-M444 CarbonylContact C-O 3.5Å; A439-M444 CarbonylContact O-C 3.59Å; A439-M444 WeakPolarHBondContact O-CA 3.43Å; A439-M444 PolarHBondContact O-N 3.48Å; A439-Y459 HydrophobicContact CB-CD1 4.23Å
440	L	67.8	Low	62.4	Low	13 Å²	13	55.6 Å²	55.6	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-38.6	174.5	-79.6	171.1	0	0	0	111.5	A436 I437 D438 D442 Q443 M444 L445 F461 V526 P527	A436-L440 WeakPolarHBondContact O-CG 3.45Å; A436-L440 PolarHBondContact O-N 2.92Å; I437-L440 WeakPolarHBondContact O-CB 3.26Å; I437-L440 PolarHBondContact O-N 3.28Å; D438-L440 VanDerWaalsContact C-N 3.31Å; D438-L440 PolarHBondContact O-N 3.47Å; L440-D442 PolarHBondContact O-N 3.48Å; L440-Q443 WeakPolarHBondContact O-CA 3.28Å; L440-Q443 PolarHBondContact O-N 2.86Å; L440-M444 WeakPolarHBondContact CA-O 3.36Å; L440-M444 PolarHBondContact N-O 3.14Å; L440-L445 HydrophobicContact CD2-CB 4.17Å; L440-L445 HydrophobicContact CD2-CD1 4.07Å; L440-F461 HydrophobicContact CD1-CE2 4Å; L440-F461 HydrophobicContact CD1-CZ 3.71Å; L440-F461 HydrophobicContact CG-CE2 4.2Å; L440-F461 HydrophobicContact CG-CZ 4.41Å; L440-V526 HydrophobicContact CB-CG1 4.36Å; L440-V526 HydrophobicContact CD2-CG1 3.92Å; L440-V526 WeakPolarHBondContact O-CG1 3.2Å; L440-P527 HydrophobicContact CD2-CG 4.46Å
441	S	66.2	Low	62.9	Low	90 Å²	90	54.8 Å²	54.8	63%	0.629	31%	0.308	S	S	*	.	H	α-helix	trans	-61.4	-31.6	177.1	-57	0	0	0	0	112.5	I437 D438 A439 Q443	I437-S441 PolarHBondContact O-N 3.28Å; I437-S441 PolarHBondContact O-OG 2.97Å; I437-S441 VanDerWaalsContact O-OG 3.04Å; D438-S441 WeakPolarHBondContact O-CA 3.47Å; D438-S441 VanDerWaalsContact O-CB 3.27Å; D438-S441 WeakPolarHBondContact O-CB 3.02Å; D438-S441 PolarHBondContact O-N 3.13Å; A439-S441 VanDerWaalsContact C-N 3.27Å; A439-S441 PolarHBondContact O-N 3.47Å; S441-Q443 PolarHBondContact O-N 2.88Å
442	D	75.4	Confident	63.6	Low	104 Å²	104	49.5 Å²	49.5	56%	0.556	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	12.3	173.2	-72	-23.5	0	0	0	113.9	D438 A439 L440 M444 R507	D438-D442 PolarHBondContact O-N 3.44Å; A439-D442 PolarHBondContact O-N 3.35Å; A439-D442 VanDerWaalsContact O-N 3.14Å; L440-D442 PolarHBondContact O-N 3.48Å; D442-M444 HydrophobicContact CB-CE 3.99Å; D442-M444 PolarHBondContact O-N 3.33Å; D442-R507 PolarHBondContact O-NH2 2.7Å
443	Q	77.3	Confident	63.5	Low	88 Å²	88	49 Å²	49	41%	0.411	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	29	-173.6	-46.2	-173.1	-18.3	0	0	113.7	L440 S441 R507 F508 V526	L440-Q443 WeakPolarHBondContact O-CA 3.28Å; L440-Q443 PolarHBondContact O-N 2.86Å; S441-Q443 PolarHBondContact O-N 2.88Å; Q443-R507 WeakPolarHBondContact O-CA 3.46Å; Q443-F508 PolarHBondContact O-N 2.97Å; Q443-V526 HydrophobicContact CB-CG2 3.81Å; Q443-V526 HydrophobicContact CG-CG2 3.83Å
444	M	76.5	Confident	63.3	Low	51 Å²	51	52.5 Å²	52.5	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.6	-179.6	-64.5	-165.2	-72.4	0	0	111.9	A439 L440 D442 L506 R507	A439-M444 CarbonylContact C-O 3.5Å; A439-M444 CarbonylContact O-C 3.59Å; A439-M444 WeakPolarHBondContact O-CA 3.43Å; A439-M444 PolarHBondContact O-N 3.48Å; L440-M444 WeakPolarHBondContact CA-O 3.36Å; L440-M444 PolarHBondContact N-O 3.14Å; D442-M444 HydrophobicContact CB-CE 3.99Å; D442-M444 PolarHBondContact O-N 3.33Å; M444-L506 CarbonylContact C-O 3.56Å; M444-L506 VanDerWaalsContact CA-O 3.32Å; M444-L506 WeakPolarHBondContact CA-O 3.35Å; M444-R507 HydrophobicContact CG-CG 4.12Å
445	L	78.7	Confident	63.3	Low	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112.6	174.9	173.2	69.3	0	0	0	109.3	L440 T447 F461 L480 L506 F508 I530	L440-L445 HydrophobicContact CD2-CB 4.17Å; L440-L445 HydrophobicContact CD2-CD1 4.07Å; L445-T447 HydrophobicContact CD1-CG2 4.41Å; L445-T447 HydrophobicContact CD2-CG2 4.08Å; L445-T447 HydrophobicContact CG-CG2 3.87Å; L445-F461 HydrophobicContact CD1-CD2 3.01Å; L445-F461 HydrophobicContact CD1-CE2 3.11Å; L445-F461 HydrophobicContact CD1-CG 3.98Å; L445-F461 HydrophobicContact CD1-CZ 4.19Å; L445-F461 HydrophobicContact CG-CD2 4.37Å; L445-L480 HydrophobicContact CD2-CD1 4.46Å; L445-L480 HydrophobicContact CD2-CD2 4.1Å; L445-L506 HydrophobicContact CB-CB 4.27Å; L445-L506 HydrophobicContact CD2-CD1 4.02Å; L445-L506 HydrophobicContact CG-CD1 4.42Å; L445-L506 PolarHBondContact N-O 3.09Å; L445-L506 PolarHBondContact O-N 2.88Å; L445-F508 HydrophobicContact CB-CE2 3.58Å; L445-F508 HydrophobicContact CB-CZ 4.12Å; L445-F508 HydrophobicContact CD2-CE2 4.31Å; L445-F508 HydrophobicContact CD2-CZ 3.99Å; L445-I530 HydrophobicContact CD1-CD1 4.29Å
446	I	72.7	Confident	63.2	Low	21 Å²	21	55.8 Å²	55.8	11%	0.108	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.5	177.3	-46.6	179.3	0	0	0	108.3	F448 L456 C460 F461 T505	I446-F448 HydrophobicContact CG2-CD2 3.96Å; I446-F448 HydrophobicContact CG2-CE2 3.55Å; I446-L456 HydrophobicContact CD1-CD2 4.48Å; I446-C460 WeakPolarHBondContact CG2-SG 3.23Å; I446-C460 WeakPolarHBondContact O-CA 3.49Å; I446-F461 PolarHBondContact O-N 2.92Å; I446-T505 HydrophobicContact CG1-CG2 4.08Å
447	T	66.4	Low	63	Low	24 Å²	24	57.5 Å²	57.5	15%	0.147	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135	179.3	63.6	0	0	0	0	110.3	L445 F461 H503 V504 L506	L445-T447 HydrophobicContact CD1-CG2 4.41Å; L445-T447 HydrophobicContact CD2-CG2 4.08Å; L445-T447 HydrophobicContact CG-CG2 3.87Å; T447-F461 WeakPolarHBondContact CA-O 2.96Å; T447-H503 CarbonylContact O-C 3.44Å; T447-H503 WeakPolarHBondContact O-CA 3.34Å; T447-H503 WeakPolarHBondContact O-CB 3.49Å; T447-V504 PolarHBondContact N-O 3.41Å; T447-V504 PolarHBondContact O-N 3.27Å; T447-V504 WeakPolarHBondContact OG1-CG1 3.39Å; T447-V504 PolarHBondContact OG1-O 3.06Å; T447-L506 HydrophobicContact CG2-CD1 4.38Å
448	F	61.9	Low	63	Low	6 Å²	6	57.4 Å²	57.4	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.3	177.6	-87.8	-98.4	0	0	0	110.5	I446 A452 P453 L456 C460 F461 H463 H503	I446-F448 HydrophobicContact CG2-CD2 3.96Å; I446-F448 HydrophobicContact CG2-CE2 3.55Å; F448-A452 HydrophobicContact CB-CB 4.22Å; F448-A452 HydrophobicContact CD1-CB 3.84Å; F448-A452 HydrophobicContact CD2-CB 3.61Å; F448-A452 HydrophobicContact CE1-CB 4.09Å; F448-A452 HydrophobicContact CE2-CB 3.85Å; F448-A452 HydrophobicContact CG-CB 3.6Å; F448-A452 HydrophobicContact CZ-CB 4.09Å; F448-P453 HydrophobicContact CE1-CG 4.3Å; F448-P453 VanDerWaalsContact CZ-CD 3.49Å; F448-P453 HydrophobicContact CZ-CG 4.42Å; F448-L456 HydrophobicContact CE2-CB 4.27Å; F448-L456 HydrophobicContact CE2-CD1 4.21Å; F448-L456 HydrophobicContact CZ-CB 4.36Å; F448-L456 HydrophobicContact CZ-CD1 3.73Å; F448-C460 HydrophobicContact CD2-CB 3.8Å; F448-C460 WeakPolarHBondContact CD2-SG 3.5Å; F448-C460 HydrophobicContact CE2-CB 4.3Å; F448-C460 WeakPolarHBondContact CE2-SG 3.28Å; F448-F461 PolarHBondContact N-O 3.3Å; F448-H463 PolarHBondContact O-N 3.4Å; F448-H463 VanDerWaalsContact O-O 3.06Å; F448-H503 HydrophobicContact CD1-CB 3.49Å; F448-H503 VanDerWaalsContact CD1-CB 3.49Å; F448-H503 HydrophobicContact CD2-CB 3.78Å; F448-H503 HydrophobicContact CE1-CB 3.35Å; F448-H503 AromaticContact CE1-CG 3.69Å; F448-H503 AromaticContact CE1-ND1 3.82Å; F448-H503 HydrophobicContact CE2-CB 3.67Å; F448-H503 HydrophobicContact CG-CB 3.7Å; F448-H503 HydrophobicContact CZ-CB 3.45Å; F448-H503 VanDerWaalsContact CZ-CB 3.45Å; F448-H503 AromaticContact CZ-CG 3.54Å; F448-H503 AromaticContact CZ-ND1 3.9Å
449	R	54.5	Low	63	Low	75 Å²	75	57.9 Å²	57.9	28%	0.283	32%	0.324	S	S	.	.	S	Bend	trans	-67.9	-41	175	-174.5	-174.2	-68.1	165.8	6.7	111.1	H465 L498 G502	R449-H465 PolarHBondContact NE-CE1 3.07Å; R449-H465 PolarHBondContact NE-NE2 3.08Å; R449-H465 PolarHBondContact NH2-CE1 2.88Å; R449-H465 PolarHBondContact NH2-NE2 3.45Å; R449-L498 PolarHBondContact NH2-O 3.1Å; R449-G502 WeakPolarHBondContact CB-O 3.48Å; R449-G502 PolarHBondContact N-O 2.77Å
450	E	49	Very low	62.6	Low	102 Å²	102	57.6 Å²	57.6	48%	0.477	32%	0.322	S	S	.	.	S	Bend	trans	-148.7	141.3	-178.8	-68.8	173.9	-151.2	0	0	108.8	R419 A452	R419-E450 IonicContact CZ-OE1 3.79Å; R419-E450 IonicContact NE-OE1 2.87Å; R419-E450 PolarHBondContact NE-OE1 3.1Å; R419-E450 IonicContact NE-OE2 2.78Å; R419-E450 IonicContact NH2-OE1 3.26Å; R419-E450 PolarHBondContact NH2-OE1 3.2Å; E450-A452 PolarHBondContact O-N 3.46Å
451	G	51.2	Low	62.2	Low	61 Å²	61	57.7 Å²	57.7	63%	0.629	32%	0.321	S	S	*	.			trans	16.3	95.9	174.3	0	0	0	0	0	117.7
452	A	55	Low	61.3	Low	9 Å²	9	55.7 Å²	55.7	7%	0.074	30%	0.303	C	S	.	.			trans	-59.2	145.4	175	0	0	0	0	0	111.7	F448 E450 E457 C460	F448-A452 HydrophobicContact CB-CB 4.22Å; F448-A452 HydrophobicContact CD1-CB 3.84Å; F448-A452 HydrophobicContact CD2-CB 3.61Å; F448-A452 HydrophobicContact CE1-CB 4.09Å; F448-A452 HydrophobicContact CE2-CB 3.85Å; F448-A452 HydrophobicContact CG-CB 3.6Å; F448-A452 HydrophobicContact CZ-CB 4.09Å; E450-A452 PolarHBondContact O-N 3.46Å; A452-E457 HydrophobicContact CB-CB 4.09Å; A452-C460 HydrophobicContact CB-CB 3.91Å
453	P	52.4	Low	59.8	Low	62 Å²	62	56.2 Å²	56.2	40%	0.403	30%	0.302	S	S	.	.			trans	-49.9	140.5	166.1	-27.6	36.1	0	0	0	110.9	F448 D455 L456 E457	F448-P453 HydrophobicContact CE1-CG 4.3Å; F448-P453 VanDerWaalsContact CZ-CD 3.49Å; F448-P453 HydrophobicContact CZ-CG 4.42Å; P453-D455 WeakPolarHBondContact CB-OD1 3.46Å; P453-D455 PolarHBondContact O-N 3.46Å; P453-L456 HydrophobicContact CB-CD1 4.44Å; P453-L456 HydrophobicContact CG-CD1 4.21Å; P453-L456 CarbonylContact O-C 3.11Å; P453-L456 WeakPolarHBondContact O-CA 3.38Å; P453-L456 PolarHBondContact O-N 2.83Å; P453-E457 PolarHBondContact O-N 2.99Å
454	A	53.4	Low	58	Low	83 Å²	83	56.5 Å²	56.5	69%	0.686	31%	0.313	S	S	*	.	H	α-helix	trans	-58.2	-27.8	-169.8	0	0	0	0	0	114.3
455	D	57.3	Low	56.2	Low	122 Å²	122	56.7 Å²	56.7	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-73.2	-27.2	173.8	58.5	-42.5	0	0	0	113.5	P453	P453-D455 WeakPolarHBondContact CB-OD1 3.46Å; P453-D455 PolarHBondContact O-N 3.46Å
456	L	58.6	Low	54.5	Low	55 Å²	55	59.9 Å²	59.9	29%	0.288	35%	0.346	S	S	.	.	H	α-helix	trans	-95	-26.7	176.8	-67.4	173.5	0	0	0	112.4	I446 F448 P453 E458 Y459 C460	I446-L456 HydrophobicContact CD1-CD2 4.48Å; F448-L456 HydrophobicContact CE2-CB 4.27Å; F448-L456 HydrophobicContact CE2-CD1 4.21Å; F448-L456 HydrophobicContact CZ-CB 4.36Å; F448-L456 HydrophobicContact CZ-CD1 3.73Å; P453-L456 HydrophobicContact CB-CD1 4.44Å; P453-L456 HydrophobicContact CG-CD1 4.21Å; P453-L456 CarbonylContact O-C 3.11Å; P453-L456 WeakPolarHBondContact O-CA 3.38Å; P453-L456 PolarHBondContact O-N 2.83Å; L456-E458 PolarHBondContact O-N 2.95Å; L456-E458 VanDerWaalsContact O-N 3.12Å; L456-Y459 WeakPolarHBondContact O-CA 3.48Å; L456-Y459 PolarHBondContact O-N 2.82Å; L456-C460 VanDerWaalsContact C-SG 3.58Å; L456-C460 PolarHBondContact O-N 2.98Å; L456-C460 PolarHBondContact O-SG 3.3Å
457	E	59.3	Low	53.3	Low	35 Å²	35	66.6 Å²	66.6	16%	0.164	38%	0.377	C	S	.	.	H	α-helix	trans	-53.7	-36.1	-173.1	-173.7	171.7	-168	0	0	113.6	F359 G433 A452 P453 Y459 C460 I462	F359-E457 WeakPolarHBondContact CE1-OE2 3.43Å; F359-E457 WeakPolarHBondContact CE2-OE1 3.41Å; F359-E457 HydrophobicContact CZ-CG 4.43Å; F359-E457 WeakPolarHBondContact CZ-OE1 3.43Å; F359-E457 WeakPolarHBondContact CZ-OE2 3.46Å; G433-E457 VanDerWaalsContact CA-O 3.28Å; G433-E457 WeakPolarHBondContact CA-O 3.33Å; A452-E457 HydrophobicContact CB-CB 4.09Å; P453-E457 PolarHBondContact O-N 2.99Å; E457-Y459 PolarHBondContact O-N 3.07Å; E457-C460 PolarHBondContact O-N 3.47Å; E457-I462 HydrophobicContact CG-CD1 4.27Å
458	E	60.4	Low	52.6	Low	108 Å²	108	69.1 Å²	69.1	51%	0.505	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.3	174.5	-69	-171.8	161.9	0	0	112	G433 A434 S435 A436 L456	G433-E458 CarbonylContact C-O 3.52Å; G433-E458 WeakPolarHBondContact CA-O 3.36Å; A434-E458 PolarHBondContact N-O 3.03Å; S435-E458 CarbonylContact C-O 3.55Å; S435-E458 WeakPolarHBondContact CA-O 3.18Å; S435-E458 WeakPolarHBondContact CB-O 3.48Å; S435-E458 PolarHBondContact N-O 2.83Å; A436-E458 PolarHBondContact N-O 2.85Å; L456-E458 PolarHBondContact O-N 2.95Å; L456-E458 VanDerWaalsContact O-N 3.12Å
459	Y	61	Low	52.3	Low	101 Å²	101	77.8 Å²	77.8	40%	0.396	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.4	-176	-58	-89.9	0	0	0	113.7	A439 L456 E457	A439-Y459 HydrophobicContact CB-CD1 4.23Å; L456-Y459 WeakPolarHBondContact O-CA 3.48Å; L456-Y459 PolarHBondContact O-N 2.82Å; E457-Y459 PolarHBondContact O-N 3.07Å
460	C	60.2	Low	53	Low	0 Å²	0	76.8 Å²	76.8	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.6	-165.4	-68.4	0	0	0	0	115	G433 I446 F448 A452 L456 E457	G433-C460 PolarHBondContact N-O 3.47Å; G433-C460 VanDerWaalsContact N-O 3.14Å; I446-C460 WeakPolarHBondContact CG2-SG 3.23Å; I446-C460 WeakPolarHBondContact O-CA 3.49Å; F448-C460 HydrophobicContact CD2-CB 3.8Å; F448-C460 WeakPolarHBondContact CD2-SG 3.5Å; F448-C460 HydrophobicContact CE2-CB 4.3Å; F448-C460 WeakPolarHBondContact CE2-SG 3.28Å; A452-C460 HydrophobicContact CB-CB 3.91Å; L456-C460 VanDerWaalsContact C-SG 3.58Å; L456-C460 PolarHBondContact O-N 2.98Å; L456-C460 PolarHBondContact O-SG 3.3Å; E457-C460 PolarHBondContact O-N 3.47Å
461	F	58.8	Low	54.3	Low	14 Å²	14	74.6 Å²	74.6	6%	0.061	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.2	162	-66	-91.2	0	0	0	109.6	I432 A436 L440 L445 I446 T447 F448 I530	I432-F461 HydrophobicContact CG1-CD1 4.37Å; I432-F461 HydrophobicContact CG1-CE1 4.48Å; I432-F461 HydrophobicContact CG2-CD1 3.99Å; I432-F461 HydrophobicContact CG2-CE1 3.63Å; I432-F461 HydrophobicContact CG2-CZ 4.42Å; A436-F461 HydrophobicContact CB-CD2 4.03Å; A436-F461 HydrophobicContact CB-CE1 4.18Å; A436-F461 HydrophobicContact CB-CE2 3.58Å; A436-F461 HydrophobicContact CB-CZ 3.67Å; L440-F461 HydrophobicContact CD1-CE2 4Å; L440-F461 HydrophobicContact CD1-CZ 3.71Å; L440-F461 HydrophobicContact CG-CE2 4.2Å; L440-F461 HydrophobicContact CG-CZ 4.41Å; L445-F461 HydrophobicContact CD1-CD2 3.01Å; L445-F461 HydrophobicContact CD1-CE2 3.11Å; L445-F461 HydrophobicContact CD1-CG 3.98Å; L445-F461 HydrophobicContact CD1-CZ 4.19Å; L445-F461 HydrophobicContact CG-CD2 4.37Å; I446-F461 PolarHBondContact O-N 2.92Å; T447-F461 WeakPolarHBondContact CA-O 2.96Å; F448-F461 PolarHBondContact N-O 3.3Å; F461-I530 HydrophobicContact CD1-CB 4.24Å; F461-I530 HydrophobicContact CD1-CD1 3.68Å; F461-I530 HydrophobicContact CD1-CG1 4.39Å; F461-I530 HydrophobicContact CD1-CG2 4.27Å; F461-I530 HydrophobicContact CD2-CD1 4.26Å; F461-I530 HydrophobicContact CE1-CB 3.72Å; F461-I530 HydrophobicContact CE1-CD1 3.38Å; F461-I530 HydrophobicContact CE1-CG1 3.77Å; F461-I530 HydrophobicContact CE1-CG2 4.26Å; F461-I530 HydrophobicContact CE2-CD1 3.95Å; F461-I530 HydrophobicContact CG-CD1 4.1Å; F461-I530 HydrophobicContact CZ-CB 4.44Å; F461-I530 HydrophobicContact CZ-CD1 3.49Å; F461-I530 VanDerWaalsContact CZ-CD1 3.49Å; F461-I530 HydrophobicContact CZ-CG1 4.02Å
462	I	47.9	Very low	55.8	Low	48 Å²	48	72.9 Å²	72.9	25%	0.246	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.1	177	-55.8	178.4	0	0	0	107.5	E457	E457-I462 HydrophobicContact CG-CD1 4.27Å
463	H	44.1	Very low	57.3	Low	116 Å²	116	77 Å²	77	54%	0.537	43%	0.433	S	S	.	.			trans	-134.2	148.9	-169	175.8	-92.6	0	0	0	111.5	F448 H465	F448-H463 PolarHBondContact O-N 3.4Å; F448-H463 VanDerWaalsContact O-O 3.06Å; H463-H465 PolarHBondContact ND1-N 2.95Å; H463-H465 PolarHBondContact O-N 3.45Å
464	C	38.9	Very low	59	Low	94 Å²	94	77.7 Å²	77.7	64%	0.635	44%	0.437	S	S	*	.			trans	-89.4	97.2	171.5	-173	0	0	0	0	110.1
465	H	39.6	Very low	60.4	Low	55 Å²	55	76.8 Å²	76.8	26%	0.255	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-79.2	152.9	174.8	72.2	67	0	0	0	111.6	R449 H463	R449-H465 PolarHBondContact NE-CE1 3.07Å; R449-H465 PolarHBondContact NE-NE2 3.08Å; R449-H465 PolarHBondContact NH2-CE1 2.88Å; R449-H465 PolarHBondContact NH2-NE2 3.45Å; H463-H465 PolarHBondContact ND1-N 2.95Å; H463-H465 PolarHBondContact O-N 3.45Å
466	G	41.2	Very low	61.7	Low	67 Å²	67	73.6 Å²	73.6	69%	0.691	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-68.1	155.2	166.7	0	0	0	0	0	111.8	L468	G466-L468 PolarHBondContact O-N 3.35Å
467	E	48.1	Very low	62.6	Low	162 Å²	162	76.4 Å²	76.4	76%	0.757	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-52.1	130.8	-176.3	-70.7	179.8	157.8	0	0	113.4	K469	E467-K469 HydrophobicContact CB-CG 4.46Å; E467-K469 PolarHBondContact O-N 3.32Å; E467-K469 VanDerWaalsContact O-N 3.08Å
468	L	52.9	Low	63.4	Low	77 Å²	77	77.1 Å²	77.1	40%	0.403	43%	0.433	S	S	.	.			trans	-69.2	103	168	-172.1	85.3	0	0	0	108.4	G466 G470 L472 L498	G466-L468 PolarHBondContact O-N 3.35Å; L468-G470 VanDerWaalsContact CD2-O 3.3Å; L468-G470 WeakPolarHBondContact CD2-O 3.29Å; L468-G470 PolarHBondContact O-N 3.28Å; L468-L472 HydrophobicContact CD1-CG 4.31Å; L468-L472 HydrophobicContact CD2-CD1 4.13Å; L468-L472 HydrophobicContact CD2-CG 4.32Å; L468-L498 HydrophobicContact CD1-CD2 3.95Å; L468-L498 HydrophobicContact CD2-CD2 4Å; L468-L498 HydrophobicContact CG-CD2 4.38Å
469	K	54.6	Low	63.3	Low	188 Å²	188	75.1 Å²	75.1	82%	0.817	43%	0.431	S	S	*	.			trans	-91.1	82.2	177.8	-64.7	-175.1	-178.7	-176.8	0	110.4	E467	E467-K469 HydrophobicContact CB-CG 4.46Å; E467-K469 PolarHBondContact O-N 3.32Å; E467-K469 VanDerWaalsContact O-N 3.08Å
470	G	68.3	Low	63.3	Low	53 Å²	53	72.5 Å²	72.5	55%	0.546	42%	0.423	S	S	.	.	S	Bend	trans	124	-178.8	175.8	0	0	0	0	0	114.5	L468	L468-G470 VanDerWaalsContact CD2-O 3.3Å; L468-G470 WeakPolarHBondContact CD2-O 3.29Å; L468-G470 PolarHBondContact O-N 3.28Å
471	A	78.1	Confident	63.1	Low	56 Å²	56	76.2 Å²	76.2	46%	0.463	46%	0.461	S	S	.	.			trans	-78.6	147.7	180	0	0	0	0	0	111.9	L476 E495	A471-L476 WeakPolarHBondContact O-CD1 3.17Å; A471-E495 WeakPolarHBondContact CA-OE2 3.38Å; A471-E495 WeakPolarHBondContact CB-OE2 3.27Å
472	L	81.9	Confident	62.5	Low	25 Å²	25	81.9 Å²	81.9	13%	0.131	49%	0.488	C	S	.	.			trans	-81.5	118.8	177.2	-93.4	150.7	0	0	0	109.8	L468 L476 V490 E495 L498 V520	L468-L472 HydrophobicContact CD1-CG 4.31Å; L468-L472 HydrophobicContact CD2-CD1 4.13Å; L468-L472 HydrophobicContact CD2-CG 4.32Å; L472-L476 HydrophobicContact CD2-CD1 4.46Å; L472-V490 HydrophobicContact CB-CG1 3.95Å; L472-V490 HydrophobicContact CB-CG2 4.44Å; L472-E495 HydrophobicContact CB-CB 4.18Å; L472-E495 HydrophobicContact CB-CG 4.32Å; L472-E495 HydrophobicContact CD1-CB 4.16Å; L472-E495 HydrophobicContact CD1-CG 4.3Å; L472-E495 PolarHBondContact N-OE2 2.96Å; L472-L498 HydrophobicContact CD1-CB 4.37Å; L472-L498 HydrophobicContact CD1-CD2 3.74Å; L472-V520 HydrophobicContact CD2-CG2 4.35Å
473	H	86.4	Confident	63	Low	97 Å²	97	85.1 Å²	85.1	45%	0.449	50%	0.502	S	S	.	.			trans	-142.9	156	177	65.6	80.9	0	0	0	112.4	G475 L476	H473-G475 PolarHBondContact O-N 3.44Å; H473-L476 WeakPolarHBondContact O-CG 3.34Å; H473-L476 PolarHBondContact O-N 3.25Å
474	P	87.9	Confident	64.4	Low	75 Å²	75	88.1 Å²	88.1	49%	0.487	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.7	168.1	-27.5	36.6	0	0	0	111.7	V487 T488	P474-V487 WeakPolarHBondContact CA-O 3.06Å; P474-T488 WeakPolarHBondContact CB-O 3.48Å
475	G	83.9	Confident	66.5	Low	64 Å²	64	84 Å²	84	66%	0.66	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-10	-175.8	0	0	0	0	0	115.6	H473 V487	H473-G475 PolarHBondContact O-N 3.44Å; G475-V487 PolarHBondContact N-O 3.3Å
476	L	83.7	Confident	68.8	Low	56 Å²	56	84.1 Å²	84.1	29%	0.293	49%	0.485	S	S	.	.			trans	-68.4	166.1	169.6	-70.4	177.3	0	0	0	112.1	A471 L472 H473 P486 V487	A471-L476 WeakPolarHBondContact O-CD1 3.17Å; L472-L476 HydrophobicContact CD2-CD1 4.46Å; H473-L476 WeakPolarHBondContact O-CG 3.34Å; H473-L476 PolarHBondContact O-N 3.25Å; L476-P486 WeakPolarHBondContact O-CA 3.43Å; L476-V487 HydrophobicContact CB-CB 4.24Å; L476-V487 HydrophobicContact CB-CG2 4Å; L476-V487 PolarHBondContact O-N 3.42Å
477	Q	77.1	Confident	71.2	Confident	114 Å²	114	81.2 Å²	81.2	53%	0.533	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.3	171.2	-70.4	-160.4	-20.7	0	0	111.3	Y485	Q477-Y485 CarbonylContact C-O 3.17Å; Q477-Y485 WeakPolarHBondContact CA-O 3.24Å
478	F	76	Confident	73.3	Confident	50 Å²	50	74.8 Å²	74.8	22%	0.219	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.4	165.8	176.5	-102.1	0	0	0	109.2	L480 R484 Y485 V487 L506 V522	F478-L480 HydrophobicContact CE1-CB 3.91Å; F478-L480 HydrophobicContact CZ-CB 4.5Å; F478-R484 CarbonylContact O-C 3.52Å; F478-R484 WeakPolarHBondContact O-CA 3.14Å; F478-Y485 AromaticContact CD1-CD2 3.97Å; F478-Y485 HydrophobicContact CD1-CD2 3.97Å; F478-Y485 HydrophobicContact CD1-CG 4.45Å; F478-Y485 PolarHBondContact N-O 3.09Å; F478-Y485 PolarHBondContact O-N 2.85Å; F478-V487 HydrophobicContact CB-CG2 4.46Å; F478-L506 HydrophobicContact CD1-CD1 4.04Å; F478-L506 HydrophobicContact CD1-CD2 4.42Å; F478-L506 HydrophobicContact CD2-CD1 4.24Å; F478-L506 HydrophobicContact CD2-CD2 4.31Å; F478-L506 HydrophobicContact CE1-CD1 3.44Å; F478-L506 VanDerWaalsContact CE1-CD1 3.44Å; F478-L506 HydrophobicContact CE2-CD1 3.68Å; F478-L506 HydrophobicContact CG-CD1 4.41Å; F478-L506 HydrophobicContact CG-CD2 4.28Å; F478-L506 HydrophobicContact CZ-CD1 3.25Å; F478-V522 HydrophobicContact CB-CG1 4.45Å
479	S	58.7	Low	75.2	Confident	66 Å²	66	71.3 Å²	71.3	46%	0.462	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.6	178.2	-58.2	0	0	0	0	110.6	H483	S479-H483 CarbonylContact C-O 3.11Å; S479-H483 VanDerWaalsContact CA-O 3.29Å; S479-H483 WeakPolarHBondContact CA-O 3.33Å
480	L	62.1	Low	77	Confident	46 Å²	46	64 Å²	64	24%	0.241	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.3	171.9	-171.5	76.1	0	0	0	108.8	L445 F478 Q482 H483 Y485 P527 I530	L445-L480 HydrophobicContact CD2-CD1 4.46Å; L445-L480 HydrophobicContact CD2-CD2 4.1Å; F478-L480 HydrophobicContact CE1-CB 3.91Å; F478-L480 HydrophobicContact CZ-CB 4.5Å; L480-Q482 PolarHBondContact O-N 3.49Å; L480-H483 PolarHBondContact N-O 3.03Å; L480-H483 PolarHBondContact O-N 2.97Å; L480-Y485 HydrophobicContact CB-CE2 4.11Å; L480-P527 HydrophobicContact CD2-CB 3.86Å; L480-P527 HydrophobicContact CD2-CG 3.3Å; L480-I530 HydrophobicContact CD2-CD1 4.33Å
481	G	55.8	Low	78	Confident	77 Å²	77	61.7 Å²	61.7	79%	0.794	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-125.8	-167	0	0	0	0	0	110.7
482	Q	45.5	Very low	78.5	Confident	134 Å²	134	64 Å²	64	63%	0.626	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-9	175.5	-63.2	-67.3	-8.7	0	0	113.9	L480 A555	L480-Q482 PolarHBondContact O-N 3.49Å; Q482-A555 PolarHBondContact NE2-O 3.37Å
483	H	57.5	Low	78.7	Confident	116 Å²	116	65.3 Å²	65.3	54%	0.537	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.8	-174.1	-68.5	79.1	0	0	0	110.9	S479 L480 Y485	S479-H483 CarbonylContact C-O 3.11Å; S479-H483 VanDerWaalsContact CA-O 3.29Å; S479-H483 WeakPolarHBondContact CA-O 3.33Å; L480-H483 PolarHBondContact N-O 3.03Å; L480-H483 PolarHBondContact O-N 2.97Å; H483-Y485 HydrophobicContact CB-CD2 4.41Å; H483-Y485 HydrophobicContact CB-CE2 3.63Å
484	R	74.2	Confident	78.6	Confident	179 Å²	179	60.7 Å²	60.7	68%	0.675	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	123.6	177.1	-57.3	-168.9	-173.2	-176.1	-0.3	110.3	F478	F478-R484 CarbonylContact O-C 3.52Å; F478-R484 WeakPolarHBondContact O-CA 3.14Å
485	Y	82.6	Confident	78.2	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.3	-176.8	-65.5	-85.9	0	0	0	109.7	Q477 F478 L480 H483 V487 F508 V522 P525	Q477-Y485 CarbonylContact C-O 3.17Å; Q477-Y485 WeakPolarHBondContact CA-O 3.24Å; F478-Y485 AromaticContact CD1-CD2 3.97Å; F478-Y485 HydrophobicContact CD1-CD2 3.97Å; F478-Y485 HydrophobicContact CD1-CG 4.45Å; F478-Y485 PolarHBondContact N-O 3.09Å; F478-Y485 PolarHBondContact O-N 2.85Å; L480-Y485 HydrophobicContact CB-CE2 4.11Å; H483-Y485 HydrophobicContact CB-CD2 4.41Å; H483-Y485 HydrophobicContact CB-CE2 3.63Å; Y485-V487 PolarHBondContact O-N 3.25Å; Y485-F508 AromaticContact CD1-CD1 3.77Å; Y485-F508 HydrophobicContact CD1-CD1 3.77Å; Y485-F508 AromaticContact CD1-CE1 3.76Å; Y485-F508 HydrophobicContact CD1-CE1 3.76Å; Y485-F508 HydrophobicContact CD2-CE1 4.34Å; Y485-F508 AromaticContact CE1-CD1 3.55Å; Y485-F508 HydrophobicContact CE1-CD1 3.55Å; Y485-F508 AromaticContact CE1-CE1 3.49Å; Y485-F508 HydrophobicContact CE1-CE1 3.49Å; Y485-F508 VanDerWaalsContact CE1-CE1 3.49Å; Y485-F508 HydrophobicContact CE2-CE1 4.11Å; Y485-F508 HydrophobicContact CG-CE1 4.17Å; Y485-F508 AromaticContact CZ-CE1 3.67Å; Y485-V522 HydrophobicContact CD1-CG2 4.03Å; Y485-V522 HydrophobicContact CG-CG2 4.21Å; Y485-P525 WeakPolarHBondContact CE1-O 3.43Å; Y485-P525 PolarHBondContact OH-O 3.27Å
486	P	88.2	Confident	77.9	Confident	57 Å²	57	59 Å²	59	37%	0.37	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129	171	-18.8	32.6	0	0	0	110.5	L476 T488 V522 A523	L476-P486 WeakPolarHBondContact O-CA 3.43Å; P486-T488 PolarHBondContact O-N 3.4Å; P486-V522 CarbonylContact O-C 3.09Å; P486-V522 WeakPolarHBondContact O-CA 3.36Å; P486-A523 WeakPolarHBondContact CD-O 3.06Å; P486-A523 PolarHBondContact O-N 3.49Å
487	V	90.9	Very high	77.6	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.4	172.8	178.4	0	0	0	0	108.9	P474 G475 L476 F478 Y485 V490 V520 H521 V522	P474-V487 WeakPolarHBondContact CA-O 3.06Å; G475-V487 PolarHBondContact N-O 3.3Å; L476-V487 HydrophobicContact CB-CB 4.24Å; L476-V487 HydrophobicContact CB-CG2 4Å; L476-V487 PolarHBondContact O-N 3.42Å; F478-V487 HydrophobicContact CB-CG2 4.46Å; Y485-V487 PolarHBondContact O-N 3.25Å; V487-V490 HydrophobicContact CG1-CG2 3.53Å; V487-V520 HydrophobicContact CG1-CG1 3.68Å; V487-V520 HydrophobicContact CG2-CG1 4.16Å; V487-H521 CarbonylContact C-O 3.5Å; V487-V522 HydrophobicContact CG2-CG1 4.16Å
488	T	93.8	Very high	77.3	Confident	27 Å²	27	52.9 Å²	52.9	17%	0.166	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-34.1	-177.3	54.2	0	0	0	0	112.8	P474 P486 L511 H521 A523	P474-T488 WeakPolarHBondContact CB-O 3.48Å; P486-T488 PolarHBondContact O-N 3.4Å; T488-L511 WeakPolarHBondContact CB-O 3.43Å; T488-L511 PolarHBondContact OG1-O 3.5Å; T488-H521 PolarHBondContact N-O 3.21Å; T488-H521 PolarHBondContact OG1-O 3.48Å; T488-A523 HydrophobicContact CG2-CB 3.79Å
489	A	92.4	Very high	77.1	Confident	3 Å²	3	56.9 Å²	56.9	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.5	173.8	0	0	0	0	0	110.9	L511 A514 H521	A489-L511 WeakPolarHBondContact CB-O 3.27Å; A489-A514 HydrophobicContact CB-CB 4.18Å; A489-H521 HydrophobicContact CB-CB 4.03Å; A489-H521 PolarHBondContact N-O 3.39Å; A489-H521 PolarHBondContact O-N 3.46Å
490	V	91.5	Very high	77.4	Confident	34 Å²	34	61 Å²	61	21%	0.206	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.2	176.8	-180	0	0	0	0	107.3	L472 V487 A494 V520	L472-V490 HydrophobicContact CB-CG1 3.95Å; L472-V490 HydrophobicContact CB-CG2 4.44Å; V487-V490 HydrophobicContact CG1-CG2 3.53Å; V490-A494 HydrophobicContact CG1-CB 4.03Å; V490-V520 HydrophobicContact CG1-CG2 4.45Å; V490-V520 HydrophobicContact CG2-CG1 4.49Å
491	G	90.7	Very high	77.5	Confident	6 Å²	6	63.8 Å²	63.8	6%	0.062	34%	0.338	C	S	.	.			trans	-66.1	151.6	174.7	0	0	0	0	0	111.5	V493 A494 P517 T519	G491-V493 PolarHBondContact O-N 2.82Å; G491-V493 VanDerWaalsContact O-N 3.08Å; G491-A494 WeakPolarHBondContact O-CB 3.37Å; G491-A494 PolarHBondContact O-N 2.84Å; G491-A494 VanDerWaalsContact O-N 3.07Å; G491-P517 CarbonylContact C-O 3.54Å; G491-P517 WeakPolarHBondContact CA-O 3.44Å; G491-T519 WeakPolarHBondContact CA-O 3.47Å; G491-T519 PolarHBondContact N-O 3.2Å
492	S	87.5	Confident	78.2	Confident	103 Å²	103	60.6 Å²	60.6	72%	0.72	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.9	-171.4	53.4	0	0	0	0	115.4	P517	S492-P517 PolarHBondContact N-O 2.8Å; S492-P517 VanDerWaalsContact N-O 3.09Å
493	V	86.7	Confident	79.5	Confident	54 Å²	54	55.2 Å²	55.2	33%	0.327	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	4.8	177.7	-54.1	0	0	0	0	112.7	G491 E495 D496 N497 P517	G491-V493 PolarHBondContact O-N 2.82Å; G491-V493 VanDerWaalsContact O-N 3.08Å; V493-E495 PolarHBondContact O-N 3.32Å; V493-D496 PolarHBondContact O-N 3.3Å; V493-N497 WeakPolarHBondContact O-CB 3.28Å; V493-N497 VanDerWaalsContact O-CG 3.29Å; V493-N497 PolarHBondContact O-N 2.99Å; V493-N497 PolarHBondContact O-OD1 3.46Å; V493-P517 VanDerWaalsContact CG2-C 3.47Å; V493-P517 HydrophobicContact CG2-CB 3.81Å; V493-P517 VanDerWaalsContact CG2-O 3.3Å; V493-P517 WeakPolarHBondContact CG2-O 3.39Å; V493-P517 PolarHBondContact N-O 2.88Å
494	A	83.2	Confident	80.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-37.9	-177	0	0	0	0	0	112.6	V490 G491 L498 P517 V520	V490-A494 HydrophobicContact CG1-CB 4.03Å; G491-A494 WeakPolarHBondContact O-CB 3.37Å; G491-A494 PolarHBondContact O-N 2.84Å; G491-A494 VanDerWaalsContact O-N 3.07Å; A494-L498 PolarHBondContact O-N 3.43Å; A494-L498 VanDerWaalsContact O-N 3.1Å; A494-P517 PolarHBondContact N-O 3.28Å; A494-V520 HydrophobicContact CB-CG2 3.68Å
495	E	81.1	Confident	81.1	Confident	44 Å²	44	42.8 Å²	42.8	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-40.7	173.2	-168.9	179.1	137.3	0	0	111.5	A471 L472 V493 L498 R499	A471-E495 WeakPolarHBondContact CA-OE2 3.38Å; A471-E495 WeakPolarHBondContact CB-OE2 3.27Å; L472-E495 HydrophobicContact CB-CB 4.18Å; L472-E495 HydrophobicContact CB-CG 4.32Å; L472-E495 HydrophobicContact CD1-CB 4.16Å; L472-E495 HydrophobicContact CD1-CG 4.3Å; L472-E495 PolarHBondContact N-OE2 2.96Å; V493-E495 PolarHBondContact O-N 3.32Å; E495-L498 PolarHBondContact O-N 3.02Å; E495-R499 WeakPolarHBondContact O-CB 3.28Å; E495-R499 PolarHBondContact O-N 3.38Å; E495-R499 IonicContact OE1-CZ 3.91Å; E495-R499 IonicContact OE1-NH1 2.88Å; E495-R499 PolarHBondContact OE1-NH1 2.83Å; E495-R499 IonicContact OE1-NH2 2.72Å; E495-R499 PolarHBondContact OE1-NH2 2.8Å
496	D	77.9	Confident	81.3	Confident	59 Å²	59	42.6 Å²	42.6	32%	0.316	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-42	177.3	-63.6	-34.3	0	0	0	111.2	V493 L498 R499 E500	V493-D496 PolarHBondContact O-N 3.3Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 2.81Å; D496-R499 PolarHBondContact O-N 3.45Å; D496-R499 IonicContact OD1-CZ 3.95Å; D496-R499 IonicContact OD1-NE 3.19Å; D496-R499 IonicContact OD1-NH2 2.74Å; D496-R499 PolarHBondContact OD1-NH2 3.33Å; D496-E500 WeakPolarHBondContact O-CA 3.15Å; D496-E500 VanDerWaalsContact O-CB 3.24Å; D496-E500 WeakPolarHBondContact O-CB 3.32Å; D496-E500 WeakPolarHBondContact O-CG 3.36Å; D496-E500 PolarHBondContact O-N 3.09Å
497	N	76.1	Confident	81.2	Confident	28 Å²	28	41.5 Å²	41.5	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-42.1	174.1	-73.8	-5.5	0	0	0	111.7	V493 L501 G502 H503	V493-N497 WeakPolarHBondContact O-CB 3.28Å; V493-N497 VanDerWaalsContact O-CG 3.29Å; V493-N497 PolarHBondContact O-N 2.99Å; V493-N497 PolarHBondContact O-OD1 3.46Å; N497-L501 CarbonylContact O-C 3.57Å; N497-L501 VanDerWaalsContact O-C 3.24Å; N497-L501 VanDerWaalsContact O-CA 3.27Å; N497-L501 WeakPolarHBondContact O-CA 3.3Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.42Å; N497-L501 PolarHBondContact O-N 3.03Å; N497-G502 PolarHBondContact O-N 2.98Å; N497-H503 CarbonylContact C-O 3.55Å; N497-H503 PolarHBondContact ND2-NE2 3.25Å; N497-H503 PolarHBondContact O-N 2.86Å; N497-H503 VanDerWaalsContact O-N 3.13Å
498	L	71.8	Confident	81.1	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-74.4	-33.3	180	-172.4	60.6	0	0	0	112.5	R449 L468 L472 A494 E495 D496 H503 V504	R449-L498 PolarHBondContact NH2-O 3.1Å; L468-L498 HydrophobicContact CD1-CD2 3.95Å; L468-L498 HydrophobicContact CD2-CD2 4Å; L468-L498 HydrophobicContact CG-CD2 4.38Å; L472-L498 HydrophobicContact CD1-CB 4.37Å; L472-L498 HydrophobicContact CD1-CD2 3.74Å; A494-L498 PolarHBondContact O-N 3.43Å; A494-L498 VanDerWaalsContact O-N 3.1Å; E495-L498 PolarHBondContact O-N 3.02Å; D496-L498 VanDerWaalsContact C-N 3.32Å; D496-L498 PolarHBondContact O-N 2.81Å; L498-H503 WeakPolarHBondContact CA-O 3.36Å; L498-H503 PolarHBondContact N-O 3.34Å; L498-V504 HydrophobicContact CB-CB 4.44Å; L498-V504 HydrophobicContact CD1-CB 4.12Å; L498-V504 HydrophobicContact CD1-CG1 4.06Å
499	R	70.1	Confident	80.7	Confident	134 Å²	134	42.6 Å²	42.6	51%	0.506	22%	0.224	S	C	.	.	H	α-helix	trans	-76.9	-49.2	178.3	174	166.8	47.4	-136.7	-7.2	112.3	E495 D496	E495-R499 WeakPolarHBondContact O-CB 3.28Å; E495-R499 PolarHBondContact O-N 3.38Å; E495-R499 IonicContact OE1-CZ 3.91Å; E495-R499 IonicContact OE1-NH1 2.88Å; E495-R499 PolarHBondContact OE1-NH1 2.83Å; E495-R499 IonicContact OE1-NH2 2.72Å; E495-R499 PolarHBondContact OE1-NH2 2.8Å; D496-R499 PolarHBondContact O-N 3.45Å; D496-R499 IonicContact OD1-CZ 3.95Å; D496-R499 IonicContact OD1-NE 3.19Å; D496-R499 IonicContact OD1-NH2 2.74Å; D496-R499 PolarHBondContact OD1-NH2 3.33Å
500	E	66.6	Low	80.5	Confident	153 Å²	153	43.7 Å²	43.7	72%	0.715	24%	0.235	S	C	*	.	H	α-helix	trans	-94.2	-43.8	-171.7	-57.9	-165.5	166.8	0	0	113.3	D496	D496-E500 WeakPolarHBondContact O-CA 3.15Å; D496-E500 VanDerWaalsContact O-CB 3.24Å; D496-E500 WeakPolarHBondContact O-CB 3.32Å; D496-E500 WeakPolarHBondContact O-CG 3.36Å; D496-E500 PolarHBondContact O-N 3.09Å
501	L	63.4	Low	80.5	Confident	105 Å²	105	46.1 Å²	46.1	55%	0.55	25%	0.246	S	C	.	.	S	Bend	trans	-99.8	-3.2	-176.2	-58	174.1	0	0	0	112.8	N497 H503	N497-L501 CarbonylContact O-C 3.57Å; N497-L501 VanDerWaalsContact O-C 3.24Å; N497-L501 VanDerWaalsContact O-CA 3.27Å; N497-L501 WeakPolarHBondContact O-CA 3.3Å; N497-L501 VanDerWaalsContact O-CB 3.31Å; N497-L501 WeakPolarHBondContact O-CB 3.42Å; N497-L501 PolarHBondContact O-N 3.03Å; L501-H503 WeakPolarHBondContact CB-ND1 3.19Å; L501-H503 PolarHBondContact O-N 3.27Å
502	G	70.1	Confident	80.4	Confident	10 Å²	10	52.6 Å²	52.6	10%	0.103	28%	0.279	C	S	.	.	S	Bend	trans	63.1	20.9	179.2	0	0	0	0	0	114.1	R449 N497	R449-G502 WeakPolarHBondContact CB-O 3.48Å; R449-G502 PolarHBondContact N-O 2.77Å; N497-G502 PolarHBondContact O-N 2.98Å
503	H	74	Confident	80.4	Confident	21 Å²	21	55.5 Å²	55.5	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.3	-179	77.9	-90.8	0	0	0	112.6	T447 F448 N497 L498 L501	T447-H503 CarbonylContact O-C 3.44Å; T447-H503 WeakPolarHBondContact O-CA 3.34Å; T447-H503 WeakPolarHBondContact O-CB 3.49Å; F448-H503 HydrophobicContact CD1-CB 3.49Å; F448-H503 VanDerWaalsContact CD1-CB 3.49Å; F448-H503 HydrophobicContact CD2-CB 3.78Å; F448-H503 HydrophobicContact CE1-CB 3.35Å; F448-H503 AromaticContact CE1-CG 3.69Å; F448-H503 AromaticContact CE1-ND1 3.82Å; F448-H503 HydrophobicContact CE2-CB 3.67Å; F448-H503 HydrophobicContact CG-CB 3.7Å; F448-H503 HydrophobicContact CZ-CB 3.45Å; F448-H503 VanDerWaalsContact CZ-CB 3.45Å; F448-H503 AromaticContact CZ-CG 3.54Å; F448-H503 AromaticContact CZ-ND1 3.9Å; N497-H503 CarbonylContact C-O 3.55Å; N497-H503 PolarHBondContact ND2-NE2 3.25Å; N497-H503 PolarHBondContact O-N 2.86Å; N497-H503 VanDerWaalsContact O-N 3.13Å; L498-H503 WeakPolarHBondContact CA-O 3.36Å; L498-H503 PolarHBondContact N-O 3.34Å; L501-H503 WeakPolarHBondContact CB-ND1 3.19Å; L501-H503 PolarHBondContact O-N 3.27Å
504	V	78.1	Confident	80.4	Confident	10 Å²	10	54.5 Å²	54.5	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.1	170.6	63	0	0	0	0	109.6	T447 L498 V520	T447-V504 PolarHBondContact N-O 3.41Å; T447-V504 PolarHBondContact O-N 3.27Å; T447-V504 WeakPolarHBondContact OG1-CG1 3.39Å; T447-V504 PolarHBondContact OG1-O 3.06Å; L498-V504 HydrophobicContact CB-CB 4.44Å; L498-V504 HydrophobicContact CD1-CB 4.12Å; L498-V504 HydrophobicContact CD1-CG1 4.06Å; V504-V520 HydrophobicContact CG2-CB 4.13Å; V504-V520 HydrophobicContact CG2-CG2 3.51Å
505	T	85.8	Confident	80.3	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.141	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120	172	-58.3	0	0	0	0	108.8	I446 T519 V520	I446-T505 HydrophobicContact CG1-CG2 4.08Å; T505-T519 HydrophobicContact CG2-CG2 3.91Å; T505-T519 CarbonylContact O-C 3.36Å; T505-T519 WeakPolarHBondContact O-CA 3.4Å; T505-V520 PolarHBondContact O-N 3.31Å
506	L	86.6	Confident	80.6	Confident	3 Å²	3	62 Å²	62	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.1	179	-65.1	158.3	0	0	0	109.8	M444 L445 T447 F478 F508 V520 V522	M444-L506 CarbonylContact C-O 3.56Å; M444-L506 VanDerWaalsContact CA-O 3.32Å; M444-L506 WeakPolarHBondContact CA-O 3.35Å; L445-L506 HydrophobicContact CB-CB 4.27Å; L445-L506 HydrophobicContact CD2-CD1 4.02Å; L445-L506 HydrophobicContact CG-CD1 4.42Å; L445-L506 PolarHBondContact N-O 3.09Å; L445-L506 PolarHBondContact O-N 2.88Å; T447-L506 HydrophobicContact CG2-CD1 4.38Å; F478-L506 HydrophobicContact CD1-CD1 4.04Å; F478-L506 HydrophobicContact CD1-CD2 4.42Å; F478-L506 HydrophobicContact CD2-CD1 4.24Å; F478-L506 HydrophobicContact CD2-CD2 4.31Å; F478-L506 HydrophobicContact CE1-CD1 3.44Å; F478-L506 VanDerWaalsContact CE1-CD1 3.44Å; F478-L506 HydrophobicContact CE2-CD1 3.68Å; F478-L506 HydrophobicContact CG-CD1 4.41Å; F478-L506 HydrophobicContact CG-CD2 4.28Å; F478-L506 HydrophobicContact CZ-CD1 3.25Å; L506-F508 HydrophobicContact CB-CE2 4.47Å; L506-V520 CarbonylContact C-O 3.43Å; L506-V520 VanDerWaalsContact CA-O 3.3Å; L506-V520 WeakPolarHBondContact CA-O 3.48Å; L506-V520 HydrophobicContact CD2-CB 3.97Å; L506-V520 HydrophobicContact CD2-CG1 4.07Å; L506-V522 HydrophobicContact CD2-CG1 4.12Å
507	R	88.2	Confident	80.9	Confident	34 Å²	34	62.7 Å²	62.7	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.5	171.1	-72.5	-141.5	62.8	136.4	16.3	110.3	D442 Q443 M444 D509 E515 T519 V520 H521 V522	D442-R507 PolarHBondContact O-NH2 2.7Å; Q443-R507 WeakPolarHBondContact O-CA 3.46Å; M444-R507 HydrophobicContact CG-CG 4.12Å; R507-D509 IonicContact NE-OD2 3.08Å; R507-D509 PolarHBondContact NE-OD2 3.32Å; R507-D509 PolarHBondContact O-N 3.22Å; R507-E515 WeakPolarHBondContact CD-OE2 3.42Å; R507-E515 IonicContact CZ-OE2 3.87Å; R507-E515 IonicContact NE-OE2 3.97Å; R507-E515 IonicContact NH1-OE1 2.72Å; R507-E515 IonicContact NH1-OE2 2.6Å; R507-E515 PolarHBondContact NH1-OE2 3.26Å; R507-T519 HydrophobicContact CG-CG2 4.36Å; R507-V520 PolarHBondContact N-O 2.8Å; R507-H521 CarbonylContact O-C 3.58Å; R507-H521 WeakPolarHBondContact O-CA 3.5Å; R507-V522 PolarHBondContact O-N 3.09Å
508	F	87.1	Confident	81.3	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.039	32%	0.321	C	S	.	.			trans	-99	51.1	-178.4	-60.1	-90.6	0	0	0	112.5	Q443 L445 Y485 L506 V522 V526 P527	Q443-F508 PolarHBondContact O-N 2.97Å; L445-F508 HydrophobicContact CB-CE2 3.58Å; L445-F508 HydrophobicContact CB-CZ 4.12Å; L445-F508 HydrophobicContact CD2-CE2 4.31Å; L445-F508 HydrophobicContact CD2-CZ 3.99Å; Y485-F508 AromaticContact CD1-CD1 3.77Å; Y485-F508 HydrophobicContact CD1-CD1 3.77Å; Y485-F508 AromaticContact CD1-CE1 3.76Å; Y485-F508 HydrophobicContact CD1-CE1 3.76Å; Y485-F508 HydrophobicContact CD2-CE1 4.34Å; Y485-F508 AromaticContact CE1-CD1 3.55Å; Y485-F508 HydrophobicContact CE1-CD1 3.55Å; Y485-F508 AromaticContact CE1-CE1 3.49Å; Y485-F508 HydrophobicContact CE1-CE1 3.49Å; Y485-F508 VanDerWaalsContact CE1-CE1 3.49Å; Y485-F508 HydrophobicContact CE2-CE1 4.11Å; Y485-F508 HydrophobicContact CG-CE1 4.17Å; Y485-F508 AromaticContact CZ-CE1 3.67Å; L506-F508 HydrophobicContact CB-CE2 4.47Å; F508-V522 HydrophobicContact CD1-CG2 3.44Å; F508-V522 VanDerWaalsContact CD1-CG2 3.44Å; F508-V522 HydrophobicContact CE1-CG2 3.77Å; F508-V522 HydrophobicContact CG-CG2 4.1Å; F508-V526 HydrophobicContact CB-CG2 3.66Å; F508-V526 HydrophobicContact CD2-CG1 4.43Å; F508-V526 HydrophobicContact CD2-CG2 4.19Å; F508-V526 HydrophobicContact CG-CG2 4.1Å; F508-P527 HydrophobicContact CE1-CG 4.35Å; F508-P527 HydrophobicContact CZ-CG 4Å
509	D	86.9	Confident	82.1	Confident	49 Å²	49	61.9 Å²	61.9	26%	0.262	32%	0.32	S	S	.	.	S	Bend	trans	-112.5	-11.4	-177.8	58.5	23.2	0	0	0	113.8	R507 L511 H521	R507-D509 IonicContact NE-OD2 3.08Å; R507-D509 PolarHBondContact NE-OD2 3.32Å; R507-D509 PolarHBondContact O-N 3.22Å; D509-L511 VanDerWaalsContact C-N 3.27Å; D509-L511 HydrophobicContact CB-CG 4.32Å; D509-L511 PolarHBondContact O-N 3.04Å; D509-L511 PolarHBondContact OD1-N 2.96Å; D509-H521 IonicContact OD1-CE1 3.17Å; D509-H521 IonicContact OD1-CG 2.69Å; D509-H521 IonicContact OD1-ND1 3.36Å; D509-H521 PolarHBondContact OD1-ND1 2.83Å; D509-H521 IonicContact OD2-CE1 3.87Å; D509-H521 PolarHBondContact OD2-CE1 2.86Å; D509-H521 IonicContact OD2-ND1 3.83Å; D509-H521 PolarHBondContact OD2-ND1 2.82Å
510	G	86.5	Confident	83	Confident	25 Å²	25	55.6 Å²	55.6	26%	0.258	30%	0.297	S	S	.	.			trans	64.2	20	-178.2	0	0	0	0	0	115.9	V522	G510-V522 PolarHBondContact N-O 2.79Å
511	L	91.7	Very high	84.3	Confident	86 Å²	86	48.3 Å²	48.3	45%	0.45	26%	0.263	S	S	.	.			trans	-63.7	146.4	177.7	-68.2	174.4	0	0	0	111.8	T488 A489 D509	T488-L511 WeakPolarHBondContact CB-O 3.43Å; T488-L511 PolarHBondContact OG1-O 3.5Å; A489-L511 WeakPolarHBondContact CB-O 3.27Å; D509-L511 VanDerWaalsContact C-N 3.27Å; D509-L511 HydrophobicContact CB-CG 4.32Å; D509-L511 PolarHBondContact O-N 3.04Å; D509-L511 PolarHBondContact OD1-N 2.96Å
512	N	89.8	Confident	85.7	Confident	141 Å²	141	43.3 Å²	43.3	75%	0.754	24%	0.236	S	C	*	.	S	Bend	trans	-86.4	-10.7	179.1	-67.9	-37.5	0	0	0	113.4
513	E	87.6	Confident	86.5	Confident	165 Å²	165	44.6 Å²	44.6	77%	0.771	25%	0.246	S	C	*	.	S	Bend	trans	-125.7	137.6	172	-71.3	-173.2	170.8	0	0	108.3	E515	E513-E515 PolarHBondContact O-N 2.83Å
514	A	86.7	Confident	86.9	Confident	33 Å²	33	45.4 Å²	45.4	27%	0.273	26%	0.26	S	S	.	.			trans	-74.3	124.1	-178.5	0	0	0	0	0	110.1	A489 F516	A489-A514 HydrophobicContact CB-CB 4.18Å; A514-F516 VanDerWaalsContact C-N 3.29Å; A514-F516 PolarHBondContact O-N 3.47Å
515	E	80.7	Confident	86.7	Confident	97 Å²	97	49.3 Å²	49.3	45%	0.453	29%	0.286	S	S	.	.	S	Bend	trans	-61.8	-40	-179.3	-174.8	-173.4	-171.9	0	0	111	R507 E513 H521	R507-E515 WeakPolarHBondContact CD-OE2 3.42Å; R507-E515 IonicContact CZ-OE2 3.87Å; R507-E515 IonicContact NE-OE2 3.97Å; R507-E515 IonicContact NH1-OE1 2.72Å; R507-E515 IonicContact NH1-OE2 2.6Å; R507-E515 PolarHBondContact NH1-OE2 3.26Å; E513-E515 PolarHBondContact O-N 2.83Å; E515-H521 PolarHBondContact N-NE2 2.77Å
516	F	86.3	Confident	86.2	Confident	105 Å²	105	50.1 Å²	50.1	46%	0.461	29%	0.29	S	S	.	.	S	Bend	trans	-127.5	147	177.7	-56.9	-70.6	0	0	0	112.3	A514 G518 T519	A514-F516 VanDerWaalsContact C-N 3.29Å; A514-F516 PolarHBondContact O-N 3.47Å; F516-G518 PolarHBondContact O-N 2.74Å; F516-T519 HydrophobicContact CB-CG2 3.87Å; F516-T519 HydrophobicContact CD2-CG2 4.17Å; F516-T519 PolarHBondContact N-OG1 3.14Å; F516-T519 PolarHBondContact O-N 3.44Å; F516-T519 VanDerWaalsContact O-N 3.1Å; F516-T519 PolarHBondContact O-OG1 3Å
517	P	85.2	Confident	85.1	Confident	73 Å²	73	50.8 Å²	50.8	47%	0.474	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.3	-178.6	-29.3	36.2	0	0	0	115.3	G491 S492 V493 A494	G491-P517 CarbonylContact C-O 3.54Å; G491-P517 WeakPolarHBondContact CA-O 3.44Å; S492-P517 PolarHBondContact N-O 2.8Å; S492-P517 VanDerWaalsContact N-O 3.09Å; V493-P517 VanDerWaalsContact CG2-C 3.47Å; V493-P517 HydrophobicContact CG2-CB 3.81Å; V493-P517 VanDerWaalsContact CG2-O 3.3Å; V493-P517 WeakPolarHBondContact CG2-O 3.39Å; V493-P517 PolarHBondContact N-O 2.88Å; A494-P517 PolarHBondContact N-O 3.28Å
518	G	83.5	Confident	83.7	Confident	15 Å²	15	55.3 Å²	55.3	16%	0.155	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.5	-177.1	0	0	0	0	0	115.5	F516	F516-G518 PolarHBondContact O-N 2.74Å
519	T	89.2	Confident	81.9	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.049	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.8	-172.5	56.8	0	0	0	0	113	G491 T505 R507 F516 H521	G491-T519 WeakPolarHBondContact CA-O 3.47Å; G491-T519 PolarHBondContact N-O 3.2Å; T505-T519 HydrophobicContact CG2-CG2 3.91Å; T505-T519 CarbonylContact O-C 3.36Å; T505-T519 WeakPolarHBondContact O-CA 3.4Å; R507-T519 HydrophobicContact CG-CG2 4.36Å; F516-T519 HydrophobicContact CB-CG2 3.87Å; F516-T519 HydrophobicContact CD2-CG2 4.17Å; F516-T519 PolarHBondContact N-OG1 3.14Å; F516-T519 PolarHBondContact O-N 3.44Å; F516-T519 VanDerWaalsContact O-N 3.1Å; F516-T519 PolarHBondContact O-OG1 3Å; T519-H521 PolarHBondContact OG1-NE2 3.38Å
520	V	90	Very high	79.8	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.3	170.4	178.3	0	0	0	0	107.6	L472 V487 V490 A494 V504 T505 L506 R507 V522	L472-V520 HydrophobicContact CD2-CG2 4.35Å; V487-V520 HydrophobicContact CG1-CG1 3.68Å; V487-V520 HydrophobicContact CG2-CG1 4.16Å; V490-V520 HydrophobicContact CG1-CG2 4.45Å; V490-V520 HydrophobicContact CG2-CG1 4.49Å; A494-V520 HydrophobicContact CB-CG2 3.68Å; V504-V520 HydrophobicContact CG2-CB 4.13Å; V504-V520 HydrophobicContact CG2-CG2 3.51Å; T505-V520 PolarHBondContact O-N 3.31Å; L506-V520 CarbonylContact C-O 3.43Å; L506-V520 VanDerWaalsContact CA-O 3.3Å; L506-V520 WeakPolarHBondContact CA-O 3.48Å; L506-V520 HydrophobicContact CD2-CB 3.97Å; L506-V520 HydrophobicContact CD2-CG1 4.07Å; R507-V520 PolarHBondContact N-O 2.8Å; V520-V522 HydrophobicContact CG1-CG1 4.25Å
521	H	93.7	Very high	77.8	Confident	0 Å²	0	61 Å²	61	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.2	178.9	-67.2	-114.5	0	0	0	109.2	V487 T488 A489 R507 D509 E515 T519	V487-H521 CarbonylContact C-O 3.5Å; T488-H521 PolarHBondContact N-O 3.21Å; T488-H521 PolarHBondContact OG1-O 3.48Å; A489-H521 HydrophobicContact CB-CB 4.03Å; A489-H521 PolarHBondContact N-O 3.39Å; A489-H521 PolarHBondContact O-N 3.46Å; R507-H521 CarbonylContact O-C 3.58Å; R507-H521 WeakPolarHBondContact O-CA 3.5Å; D509-H521 IonicContact OD1-CE1 3.17Å; D509-H521 IonicContact OD1-CG 2.69Å; D509-H521 IonicContact OD1-ND1 3.36Å; D509-H521 PolarHBondContact OD1-ND1 2.83Å; D509-H521 IonicContact OD2-CE1 3.87Å; D509-H521 PolarHBondContact OD2-CE1 2.86Å; D509-H521 IonicContact OD2-ND1 3.83Å; D509-H521 PolarHBondContact OD2-ND1 2.82Å; E515-H521 PolarHBondContact N-NE2 2.77Å; T519-H521 PolarHBondContact OG1-NE2 3.38Å
522	V	92.3	Very high	75.6	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.5	-179.9	-55.9	0	0	0	0	110.9	F478 Y485 P486 V487 L506 R507 F508 G510 V520	F478-V522 HydrophobicContact CB-CG1 4.45Å; Y485-V522 HydrophobicContact CD1-CG2 4.03Å; Y485-V522 HydrophobicContact CG-CG2 4.21Å; P486-V522 CarbonylContact O-C 3.09Å; P486-V522 WeakPolarHBondContact O-CA 3.36Å; V487-V522 HydrophobicContact CG2-CG1 4.16Å; L506-V522 HydrophobicContact CD2-CG1 4.12Å; R507-V522 PolarHBondContact O-N 3.09Å; F508-V522 HydrophobicContact CD1-CG2 3.44Å; F508-V522 VanDerWaalsContact CD1-CG2 3.44Å; F508-V522 HydrophobicContact CE1-CG2 3.77Å; F508-V522 HydrophobicContact CG-CG2 4.1Å; G510-V522 PolarHBondContact N-O 2.79Å; V520-V522 HydrophobicContact CG1-CG1 4.25Å
523	A	86.6	Confident	74.2	Confident	37 Å²	37	56.8 Å²	56.8	31%	0.306	35%	0.346	S	S	.	.			trans	-91.2	128.1	174.3	0	0	0	0	0	110.8	P486 T488	P486-A523 WeakPolarHBondContact CD-O 3.06Å; P486-A523 PolarHBondContact O-N 3.49Å; T488-A523 HydrophobicContact CG2-CB 3.79Å
524	G	82.3	Confident	73.9	Confident	38 Å²	38	50 Å²	50	39%	0.392	32%	0.317	S	S	.	.	S	Bend	trans	146.1	172.2	174.9	0	0	0	0	0	112.8
525	P	74.2	Confident	74.1	Confident	92 Å²	92	48.5 Å²	48.5	60%	0.597	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-71.3	137.8	179.8	29.6	-34	0	0	0	111.6	Y485	Y485-P525 WeakPolarHBondContact CE1-O 3.43Å; Y485-P525 PolarHBondContact OH-O 3.27Å
526	V	74.9	Confident	74.9	Confident	39 Å²	39	43.9 Å²	43.9	24%	0.236	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-56.3	137	170.5	-178	0	0	0	0	109.9	L440 Q443 F508	L440-V526 HydrophobicContact CB-CG1 4.36Å; L440-V526 HydrophobicContact CD2-CG1 3.92Å; L440-V526 WeakPolarHBondContact O-CG1 3.2Å; Q443-V526 HydrophobicContact CB-CG2 3.81Å; Q443-V526 HydrophobicContact CG-CG2 3.83Å; F508-V526 HydrophobicContact CB-CG2 3.66Å; F508-V526 HydrophobicContact CD2-CG1 4.43Å; F508-V526 HydrophobicContact CD2-CG2 4.19Å; F508-V526 HydrophobicContact CG-CG2 4.1Å
527	P	64.5	Low	75.4	Confident	18 Å²	18	38.9 Å²	38.9	12%	0.117	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63	137.7	174.2	-19.2	29.8	0	0	0	113.4	L440 L480 F508	L440-P527 HydrophobicContact CD2-CG 4.46Å; L480-P527 HydrophobicContact CD2-CB 3.86Å; L480-P527 HydrophobicContact CD2-CG 3.3Å; F508-P527 HydrophobicContact CE1-CG 4.35Å; F508-P527 HydrophobicContact CZ-CG 4Å
528	D	57.8	Low	76.1	Confident	129 Å²	129	35.4 Å²	35.4	69%	0.69	24%	0.238	S	C	*	.	S	Bend	trans	-82.6	-26.4	-178.5	-62.4	-27.7	0	0	0	114.3	K772	D528-K772 VanDerWaalsContact OD2-CE 3.29Å; D528-K772 WeakPolarHBondContact OD2-CE 3.4Å; D528-K772 IonicContact OD2-NZ 3.78Å; D528-K772 PolarHBondContact OD2-NZ 3.23Å
529	D	49	Very low	76.8	Confident	96 Å²	96	35 Å²	35	51%	0.513	23%	0.232	S	C	.	.			trans	-164.3	158.3	-176.6	-168.8	13.4	0	0	0	113.1	P771	D529-P771 HydrophobicContact CB-CG 4.48Å; D529-P771 WeakPolarHBondContact OD2-CG 3.43Å
530	I	42.7	Very low	77.2	Confident	44 Å²	44	35.3 Å²	35.3	23%	0.226	24%	0.238	C	C	.	.			trans	-142.2	102.1	177.5	-47.4	-170.4	0	0	0	112	I432 L445 F461 L480	I432-I530 WeakPolarHBondContact CD1-O 3.42Å; L445-I530 HydrophobicContact CD1-CD1 4.29Å; F461-I530 HydrophobicContact CD1-CB 4.24Å; F461-I530 HydrophobicContact CD1-CD1 3.68Å; F461-I530 HydrophobicContact CD1-CG1 4.39Å; F461-I530 HydrophobicContact CD1-CG2 4.27Å; F461-I530 HydrophobicContact CD2-CD1 4.26Å; F461-I530 HydrophobicContact CE1-CB 3.72Å; F461-I530 HydrophobicContact CE1-CD1 3.38Å; F461-I530 HydrophobicContact CE1-CG1 3.77Å; F461-I530 HydrophobicContact CE1-CG2 4.26Å; F461-I530 HydrophobicContact CE2-CD1 3.95Å; F461-I530 HydrophobicContact CG-CD1 4.1Å; F461-I530 HydrophobicContact CZ-CB 4.44Å; F461-I530 HydrophobicContact CZ-CD1 3.49Å; F461-I530 VanDerWaalsContact CZ-CD1 3.49Å; F461-I530 HydrophobicContact CZ-CG1 4.02Å; L480-I530 HydrophobicContact CD2-CD1 4.33Å
531	A	46.3	Very low	77.6	Confident	62 Å²	62	35.2 Å²	35.2	51%	0.512	24%	0.237	S	C	.	.			trans	-120.4	122	170.2	0	0	0	0	0	111.5	G533	A531-G533 PolarHBondContact O-N 2.81Å
532	P	43.9	Very low	77.7	Confident	107 Å²	107	35.5 Å²	35.5	70%	0.695	24%	0.24	S	C	*	.	S	Bend	trans	-73.6	124.9	176.3	-10.5	24.4	0	0	0	111.9	S534	P532-S534 PolarHBondContact O-N 3.44Å
533	G	61.6	Low	77.8	Confident	32 Å²	32	39 Å²	39	33%	0.33	26%	0.256	S	S	.	.			trans	67.2	39.1	158	0	0	0	0	0	116.6	A531	A531-G533 PolarHBondContact O-N 2.81Å
534	S	81	Confident	78.2	Confident	23 Å²	23	40.4 Å²	40.4	16%	0.161	26%	0.261	C	S	.	.			trans	-54.6	140.3	173.8	-62.7	0	0	0	0	111.9	P532 Y558 R559 D614	P532-S534 PolarHBondContact O-N 3.44Å; S534-Y558 CarbonylContact O-C 3.56Å; S534-Y558 VanDerWaalsContact O-CA 3.28Å; S534-Y558 WeakPolarHBondContact O-CA 3.38Å; S534-Y558 WeakPolarHBondContact O-CD1 3.46Å; S534-R559 PolarHBondContact O-N 2.72Å; S534-D614 VanDerWaalsContact CA-OD2 3.27Å; S534-D614 WeakPolarHBondContact CA-OD2 3.4Å
535	V	90.6	Very high	78.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.4	-175	176.8	0	0	0	0	110.4	R559 F610 R612 D614 L615	V535-R559 CarbonylContact C-O 3.49Å; V535-R559 VanDerWaalsContact CA-O 3.28Å; V535-R559 WeakPolarHBondContact CA-O 3.46Å; V535-R559 HydrophobicContact CG2-CB 4.16Å; V535-F610 HydrophobicContact CB-CB 4.43Å; V535-F610 HydrophobicContact CG1-CB 3.81Å; V535-F610 HydrophobicContact CG1-CD1 4.01Å; V535-F610 HydrophobicContact CG1-CG 3.86Å; V535-F610 HydrophobicContact CG2-CB 3.79Å; V535-F610 HydrophobicContact CG2-CD1 4.04Å; V535-F610 HydrophobicContact CG2-CG 4.26Å; V535-R612 HydrophobicContact CB-CG 4.13Å; V535-R612 VanDerWaalsContact CB-O 3.3Å; V535-R612 WeakPolarHBondContact CB-O 3.31Å; V535-R612 WeakPolarHBondContact CG1-O 3.34Å; V535-R612 HydrophobicContact CG2-CG 3.52Å; V535-D614 PolarHBondContact N-OD2 2.9Å; V535-D614 PolarHBondContact O-N 3.17Å; V535-L615 PolarHBondContact O-N 3Å
536	A	96.7	Very high	79.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.3	173.6	0	0	0	0	0	111.2	L553 Y558 R559 V560 A561 L615	A536-L553 HydrophobicContact CB-CD1 3.87Å; A536-Y558 HydrophobicContact CB-CD1 3.72Å; A536-Y558 HydrophobicContact CB-CE1 4.41Å; A536-Y558 HydrophobicContact CB-CG 4.03Å; A536-R559 PolarHBondContact N-O 3.17Å; A536-V560 CarbonylContact O-C 3.54Å; A536-V560 WeakPolarHBondContact O-CA 3.43Å; A536-A561 PolarHBondContact O-N 3.29Å; A536-L615 CarbonylContact C-O 3.6Å; A536-L615 VanDerWaalsContact CA-O 3.32Å; A536-L615 WeakPolarHBondContact CA-O 3.44Å; A536-L615 HydrophobicContact CB-CB 4.08Å; A536-L615 HydrophobicContact CB-CD2 3.98Å; A536-L615 HydrophobicContact CB-CG 4.27Å
537	V	98.6	Very high	81	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.8	173.2	-176.6	0	0	0	0	108.9	I539 A561 V563 V606 V613 L615 L616 V617 F654	V537-I539 HydrophobicContact CG1-CD1 3.95Å; V537-A561 HydrophobicContact CB-CB 4.36Å; V537-A561 HydrophobicContact CG1-CB 4.31Å; V537-A561 HydrophobicContact CG2-CB 4Å; V537-V563 HydrophobicContact CG1-CG2 3.94Å; V537-V606 HydrophobicContact CG2-CG1 3.77Å; V537-V606 HydrophobicContact CG2-CG2 4.43Å; V537-V613 HydrophobicContact CG2-CG1 3.71Å; V537-V613 HydrophobicContact CG2-CG2 3.99Å; V537-L615 PolarHBondContact N-O 3.2Å; V537-L616 HydrophobicContact CB-CD1 4.17Å; V537-L616 HydrophobicContact CG1-CD1 4.17Å; V537-V617 PolarHBondContact O-N 2.86Å; V537-F654 HydrophobicContact CB-CE1 4.37Å; V537-F654 HydrophobicContact CB-CZ 4.37Å; V537-F654 HydrophobicContact CG1-CE1 4.1Å; V537-F654 HydrophobicContact CG1-CE2 3.99Å; V537-F654 HydrophobicContact CG1-CZ 3.64Å; V537-F654 HydrophobicContact CG2-CD1 4.21Å; V537-F654 HydrophobicContact CG2-CE1 3.79Å; V537-F654 HydrophobicContact CG2-CZ 4.21Å
538	V	98.7	Very high	82.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.3	-178.8	-173.3	0	0	0	0	110.3	G541 C550 L553 V560 A561 V563 V617	V538-G541 PolarHBondContact O-N 2.88Å; V538-C550 VanDerWaalsContact CB-SG 3.59Å; V538-L553 HydrophobicContact CG2-CD1 3.72Å; V538-V560 HydrophobicContact CG2-CG1 4.16Å; V538-A561 PolarHBondContact N-O 3.16Å; V538-V563 WeakPolarHBondContact O-CB 3.46Å; V538-V563 PolarHBondContact O-N 3.39Å; V538-V617 WeakPolarHBondContact CA-O 3.13Å; V538-V617 HydrophobicContact CG1-CB 4.34Å; V538-V617 HydrophobicContact CG2-CB 4.23Å; V538-V617 HydrophobicContact CG2-CG2 4.43Å
539	I	98.6	Very high	84.6	Confident	6 Å²	6	30 Å²	30	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.2	175.8	-48.3	-60.9	0	0	0	109.7	V537 V563 A593 L602 L616 V617 Y618 S619 A620 C650 F654	V537-I539 HydrophobicContact CG1-CD1 3.95Å; I539-V563 HydrophobicContact CD1-CB 3.93Å; I539-V563 HydrophobicContact CD1-CG1 4Å; I539-V563 HydrophobicContact CD1-CG2 3.99Å; I539-A593 HydrophobicContact CG2-CB 3.99Å; I539-L602 HydrophobicContact CD1-CD2 3.71Å; I539-L616 HydrophobicContact CD1-CD1 4.41Å; I539-L616 HydrophobicContact CG1-CD1 3.9Å; I539-V617 PolarHBondContact N-O 2.79Å; I539-Y618 HydrophobicContact CB-CD2 3.78Å; I539-Y618 HydrophobicContact CB-CE2 4.1Å; I539-Y618 HydrophobicContact CB-CG 4.46Å; I539-Y618 HydrophobicContact CG1-CD2 3.9Å; I539-Y618 HydrophobicContact CG1-CE2 4.38Å; I539-Y618 HydrophobicContact CG2-CD2 3.91Å; I539-Y618 HydrophobicContact CG2-CE2 3.66Å; I539-S619 CarbonylContact O-C 3.48Å; I539-S619 VanDerWaalsContact O-CA 3.29Å; I539-S619 WeakPolarHBondContact O-CA 3.35Å; I539-S619 WeakPolarHBondContact O-CB 3.48Å; I539-S619 PolarHBondContact O-N 3.17Å; I539-A620 HydrophobicContact CG2-CB 4.02Å; I539-A620 PolarHBondContact O-N 3.24Å; I539-C650 HydrophobicContact CG1-CB 4.32Å; I539-F654 HydrophobicContact CD1-CE2 4.31Å
540	G	97.4	Very high	86.9	Confident	16 Å²	16	25.5 Å²	25.5	17%	0.165	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	26.9	-168.7	0	0	0	0	0	112.9	G546 V563	G540-G546 WeakPolarHBondContact O-CA 3.48Å; G540-V563 CarbonylContact C-O 3.24Å; G540-V563 WeakPolarHBondContact CA-O 3.44Å; G540-V563 PolarHBondContact N-O 2.75Å
541	G	97.3	Very high	89.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.6	-176	0	0	0	0	0	115.6	V538 Q543 A547 V562 V563	V538-G541 PolarHBondContact O-N 2.88Å; G541-Q543 VanDerWaalsContact C-N 3.33Å; G541-Q543 PolarHBondContact O-N 2.83Å; G541-A547 WeakPolarHBondContact O-CA 3.49Å; G541-A547 PolarHBondContact O-N 2.82Å; G541-V562 WeakPolarHBondContact O-CG1 3.12Å; G541-V563 PolarHBondContact N-O 2.98Å
542	G	96.3	Very high	91.7	Very high	6 Å²	6	22.9 Å²	22.9	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.8	-173.7	0	0	0	0	0	115.1	D564 K569	G542-D564 PolarHBondContact N-OD2 2.96Å; G542-K569 WeakPolarHBondContact O-CB 3.38Å
543	Q	95.2	Very high	94.1	Very high	74 Å²	74	17.8 Å²	17.8	35%	0.346	11%	0.109	S	C	.	.	S	Bend	trans	-159.1	162.2	-176.8	59	-177.8	13.1	0	0	113.3	G541 L545 G546 A547 K569	G541-Q543 VanDerWaalsContact C-N 3.33Å; G541-Q543 PolarHBondContact O-N 2.83Å; Q543-L545 PolarHBondContact O-N 3.1Å; Q543-G546 PolarHBondContact O-N 3.05Å; Q543-A547 PolarHBondContact O-N 2.72Å; Q543-K569 HydrophobicContact CB-CD 4.45Å
544	T	94.6	Very high	95.4	Very high	66 Å²	66	16.3 Å²	16.3	41%	0.405	9%	0.094	S	C	.	.	H	α-helix	trans	55.9	-128.8	168.6	68.6	0	0	0	0	113	G546 A547 F548 P722	T544-G546 PolarHBondContact O-N 2.74Å; T544-A547 PolarHBondContact O-N 2.95Å; T544-F548 PolarHBondContact O-N 2.89Å; T544-F548 VanDerWaalsContact O-N 3.17Å; T544-P722 HydrophobicContact CG2-CB 4.5Å; T544-P722 HydrophobicContact CG2-CG 3.72Å
545	L	96	Very high	95.6	Very high	11 Å²	11	16.5 Å²	16.5	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-45.3	178.9	175.1	64.3	0	0	0	111.3	Q543 A547 F548 L549 I670 L715 L718 Y758 V761	Q543-L545 PolarHBondContact O-N 3.1Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 3.36Å; L545-F548 WeakPolarHBondContact O-CB 3.13Å; L545-F548 PolarHBondContact O-N 3.14Å; L545-F548 VanDerWaalsContact O-N 3.14Å; L545-L549 HydrophobicContact CD1-CD1 4.18Å; L545-L549 HydrophobicContact CD1-CD2 4.18Å; L545-L549 HydrophobicContact CD1-CG 4Å; L545-L549 HydrophobicContact CG-CD1 3.98Å; L545-L549 HydrophobicContact CG-CG 4.21Å; L545-L549 VanDerWaalsContact O-CG 3.32Å; L545-L549 WeakPolarHBondContact O-CG 3.48Å; L545-L549 PolarHBondContact O-N 3.27Å; L545-I670 HydrophobicContact CD2-CG2 3.86Å; L545-L715 HydrophobicContact CD2-CD1 3.82Å; L545-L718 HydrophobicContact CD2-CD1 3.96Å; L545-Y758 HydrophobicContact CB-CD1 4.17Å; L545-Y758 HydrophobicContact CB-CE1 3.88Å; L545-Y758 HydrophobicContact CD1-CD1 3.61Å; L545-Y758 HydrophobicContact CD1-CE1 4.2Å; L545-Y758 HydrophobicContact CD1-CG 3.83Å; L545-Y758 HydrophobicContact CG-CD1 4.45Å; L545-Y758 PolarHBondContact N-OH 2.87Å; L545-V761 HydrophobicContact CD1-CB 4.03Å; L545-V761 HydrophobicContact CD1-CG1 4.11Å; L545-V761 HydrophobicContact CD1-CG2 4.14Å; L545-V761 HydrophobicContact CD2-CG1 4.37Å
546	G	97.1	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-43.6	-177.9	0	0	0	0	0	112.6	G540 Q543 T544 F548 L549 C550	G540-G546 WeakPolarHBondContact O-CA 3.48Å; Q543-G546 PolarHBondContact O-N 3.05Å; T544-G546 PolarHBondContact O-N 2.74Å; G546-F548 PolarHBondContact O-N 2.95Å; G546-L549 PolarHBondContact O-N 3.29Å; G546-C550 PolarHBondContact O-N 2.82Å; G546-C550 PolarHBondContact O-SG 3.22Å
547	A	98	Very high	94.2	Very high	13 Å²	13	24.3 Å²	24.3	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-42.2	174.8	0	0	0	0	0	112.2	G541 Q543 T544 L545 L549 C550 H551 V573	G541-A547 WeakPolarHBondContact O-CA 3.49Å; G541-A547 PolarHBondContact O-N 2.82Å; Q543-A547 PolarHBondContact O-N 2.72Å; T544-A547 PolarHBondContact O-N 2.95Å; L545-A547 VanDerWaalsContact C-N 3.34Å; L545-A547 PolarHBondContact O-N 3.36Å; A547-L549 VanDerWaalsContact C-N 3.32Å; A547-L549 PolarHBondContact O-N 2.93Å; A547-C550 WeakPolarHBondContact O-CB 3.47Å; A547-C550 PolarHBondContact O-N 3.01Å; A547-H551 PolarHBondContact O-CD2 3Å; A547-H551 VanDerWaalsContact O-CD2 3.28Å; A547-H551 PolarHBondContact O-N 3.28Å; A547-H551 VanDerWaalsContact O-N 3.09Å; A547-V573 HydrophobicContact CB-CG1 4.31Å; A547-V573 HydrophobicContact CB-CG2 3.83Å
548	F	98.1	Very high	93.6	Very high	75 Å²	75	26 Å²	26	33%	0.329	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-39.8	175.6	-172.1	-86.4	0	0	0	112.1	T544 L545 G546 H551 G552 Y758 L762	T544-F548 PolarHBondContact O-N 2.89Å; T544-F548 VanDerWaalsContact O-N 3.17Å; L545-F548 WeakPolarHBondContact O-CB 3.13Å; L545-F548 PolarHBondContact O-N 3.14Å; L545-F548 VanDerWaalsContact O-N 3.14Å; G546-F548 PolarHBondContact O-N 2.95Å; F548-H551 PolarHBondContact O-N 3.43Å; F548-G552 PolarHBondContact O-N 3.27Å; F548-Y758 HydrophobicContact CB-CD2 3.76Å; F548-Y758 HydrophobicContact CB-CG 4.38Å; F548-Y758 VanDerWaalsContact CD1-CB 3.48Å; F548-Y758 HydrophobicContact CD1-CG 4.44Å; F548-Y758 HydrophobicContact CD2-CD2 4.12Å; F548-Y758 AromaticContact CG-CD2 3.87Å; F548-Y758 HydrophobicContact CG-CD2 3.87Å; F548-Y758 HydrophobicContact CG-CG 4.26Å; F548-L762 HydrophobicContact CD1-CD2 4.46Å; F548-L762 HydrophobicContact CE1-CB 4.1Å; F548-L762 HydrophobicContact CE1-CD2 3.84Å
549	L	98.4	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-37.9	175.9	-62.8	177.3	0	0	0	111.9	L545 G546 A547 G552 L553 V617 I670 V761 L762 L765	L545-L549 HydrophobicContact CD1-CD1 4.18Å; L545-L549 HydrophobicContact CD1-CD2 4.18Å; L545-L549 HydrophobicContact CD1-CG 4Å; L545-L549 HydrophobicContact CG-CD1 3.98Å; L545-L549 HydrophobicContact CG-CG 4.21Å; L545-L549 VanDerWaalsContact O-CG 3.32Å; L545-L549 WeakPolarHBondContact O-CG 3.48Å; L545-L549 PolarHBondContact O-N 3.27Å; G546-L549 PolarHBondContact O-N 3.29Å; A547-L549 VanDerWaalsContact C-N 3.32Å; A547-L549 PolarHBondContact O-N 2.93Å; L549-G552 PolarHBondContact O-N 3.49Å; L549-L553 WeakPolarHBondContact O-CB 3.3Å; L549-L553 WeakPolarHBondContact O-CD1 3.21Å; L549-L553 VanDerWaalsContact O-CG 3.24Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.17Å; L549-V617 HydrophobicContact CD1-CG1 4.34Å; L549-I670 HydrophobicContact CD1-CD1 4.03Å; L549-I670 HydrophobicContact CD1-CG1 4.24Å; L549-V761 HydrophobicContact CD1-CG1 4.49Å; L549-V761 HydrophobicContact CD2-CG1 4.2Å; L549-L762 HydrophobicContact CD2-CB 3.97Å; L549-L762 HydrophobicContact CD2-CD1 4.06Å; L549-L765 HydrophobicContact CB-CD2 4.15Å; L549-L765 HydrophobicContact CD1-CD2 4.17Å; L549-L765 HydrophobicContact CD2-CD2 3.83Å; L549-L765 HydrophobicContact CG-CD2 4.24Å
550	C	98.4	Very high	93	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-48.6	173.8	-65.8	0	0	0	0	111.7	V538 G546 A547 L553 A554 V560 V562 V573 I577	V538-C550 VanDerWaalsContact CB-SG 3.59Å; G546-C550 PolarHBondContact O-N 2.82Å; G546-C550 PolarHBondContact O-SG 3.22Å; A547-C550 WeakPolarHBondContact O-CB 3.47Å; A547-C550 PolarHBondContact O-N 3.01Å; C550-L553 PolarHBondContact O-N 3.12Å; C550-A554 WeakPolarHBondContact O-CB 3.43Å; C550-A554 PolarHBondContact O-N 3.33Å; C550-V560 HydrophobicContact CB-CG1 3.93Å; C550-V562 HydrophobicContact CB-CG2 4.26Å; C550-V573 HydrophobicContact CB-CG1 4.12Å; C550-I577 HydrophobicContact CB-CD1 3.78Å
551	H	97.5	Very high	93	Very high	41 Å²	41	28 Å²	28	19%	0.19	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-45.3	176.3	-81.2	-69.2	0	0	0	112	A547 F548 L553 A554 A555 E576 I577	A547-H551 PolarHBondContact O-CD2 3Å; A547-H551 VanDerWaalsContact O-CD2 3.28Å; A547-H551 PolarHBondContact O-N 3.28Å; A547-H551 VanDerWaalsContact O-N 3.09Å; F548-H551 PolarHBondContact O-N 3.43Å; H551-L553 PolarHBondContact O-N 3.24Å; H551-A554 PolarHBondContact O-N 2.9Å; H551-A555 PolarHBondContact O-N 3.37Å; H551-E576 IonicContact CE1-OE2 3.36Å; H551-E576 IonicContact NE2-OE2 2.76Å; H551-E576 PolarHBondContact NE2-OE2 2.89Å; H551-E576 VanDerWaalsContact NE2-OE2 3.17Å; H551-I577 WeakPolarHBondContact ND1-CG1 3.22Å
552	G	92.5	Very high	93.1	Very high	10 Å²	10	28 Å²	28	10%	0.103	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.7	0	0	0	0	0	113.9	F548 L549 A555 E556	F548-G552 PolarHBondContact O-N 3.27Å; L549-G552 PolarHBondContact O-N 3.49Å; G552-A555 PolarHBondContact O-N 2.95Å; G552-E556 WeakPolarHBondContact O-CG 3.3Å; G552-E556 PolarHBondContact O-N 3.14Å
553	L	93.7	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-40.4	175.5	-72.9	165.3	0	0	0	111.7	A536 V538 L549 C550 H551 A555 E556 G557 Y558 V560 L615 V617 L765 L766	A536-L553 HydrophobicContact CB-CD1 3.87Å; V538-L553 HydrophobicContact CG2-CD1 3.72Å; L549-L553 WeakPolarHBondContact O-CB 3.3Å; L549-L553 WeakPolarHBondContact O-CD1 3.21Å; L549-L553 VanDerWaalsContact O-CG 3.24Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.17Å; C550-L553 PolarHBondContact O-N 3.12Å; H551-L553 PolarHBondContact O-N 3.24Å; L553-A555 VanDerWaalsContact C-N 3.34Å; L553-E556 PolarHBondContact O-N 3.49Å; L553-G557 PolarHBondContact O-N 3.48Å; L553-Y558 HydrophobicContact CB-CD2 4.18Å; L553-Y558 HydrophobicContact CB-CG 4.38Å; L553-Y558 HydrophobicContact CD2-CD2 3.7Å; L553-Y558 HydrophobicContact CD2-CE2 3.83Å; L553-Y558 HydrophobicContact CD2-CG 4.27Å; L553-Y558 WeakPolarHBondContact O-CB 3.36Å; L553-Y558 WeakPolarHBondContact O-CD2 3.28Å; L553-Y558 PolarHBondContact O-N 2.88Å; L553-V560 HydrophobicContact CB-CG2 4.11Å; L553-L615 HydrophobicContact CD1-CD2 4.2Å; L553-L615 HydrophobicContact CD2-CD2 3.58Å; L553-V617 HydrophobicContact CD1-CG2 4.33Å; L553-L765 HydrophobicContact CD1-CD2 4.21Å; L553-L765 HydrophobicContact CD2-CD2 4.3Å; L553-L765 HydrophobicContact CG-CD2 4.29Å; L553-L766 HydrophobicContact CD2-CD2 3.95Å
554	A	88.4	Confident	93.4	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.3	0	0	0	0	0	112.3	C550 H551 E556 G557 V560 I577 Y581	C550-A554 WeakPolarHBondContact O-CB 3.43Å; C550-A554 PolarHBondContact O-N 3.33Å; H551-A554 PolarHBondContact O-N 2.9Å; A554-E556 PolarHBondContact O-N 2.88Å; A554-G557 PolarHBondContact O-N 3.03Å; A554-V560 HydrophobicContact CB-CG2 4.08Å; A554-I577 HydrophobicContact CB-CD1 4.41Å; A554-I577 HydrophobicContact CB-CG1 4.37Å; A554-I577 HydrophobicContact CB-CG2 3.5Å; A554-Y581 HydrophobicContact CB-CD2 3.96Å; A554-Y581 HydrophobicContact CB-CE2 4.22Å; A554-Y581 HydrophobicContact CB-CG 4.43Å
555	A	84.8	Confident	93.5	Very high	26 Å²	26	27.1 Å²	27.1	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-33.5	174.4	0	0	0	0	0	112.9	Q482 H551 G552 L553 G557 Y581	Q482-A555 PolarHBondContact NE2-O 3.37Å; H551-A555 PolarHBondContact O-N 3.37Å; G552-A555 PolarHBondContact O-N 2.95Å; L553-A555 VanDerWaalsContact C-N 3.34Å; A555-G557 PolarHBondContact O-N 2.85Å; A555-Y581 HydrophobicContact CB-CE1 3.98Å
556	E	81.4	Confident	93.5	Very high	121 Å²	121	30.5 Å²	30.5	57%	0.565	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	3.9	174.7	-62.4	-65.3	151.3	0	0	113.4	G552 L553 A554 Y558 L766	G552-E556 WeakPolarHBondContact O-CG 3.3Å; G552-E556 PolarHBondContact O-N 3.14Å; L553-E556 PolarHBondContact O-N 3.49Å; A554-E556 PolarHBondContact O-N 2.88Å; E556-Y558 HydrophobicContact CB-CD2 4.38Å; E556-L766 HydrophobicContact CB-CD2 4.34Å; E556-L766 HydrophobicContact CG-CD1 3.69Å; E556-L766 HydrophobicContact CG-CD2 3.7Å; E556-L766 HydrophobicContact CG-CG 4.31Å
557	G	77.3	Confident	93.4	Very high	43 Å²	43	33.4 Å²	33.4	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	7.9	175.1	0	0	0	0	0	115.5	L553 A554 A555	L553-G557 PolarHBondContact O-N 3.48Å; A554-G557 PolarHBondContact O-N 3.03Å; A555-G557 PolarHBondContact O-N 2.85Å
558	Y	85.4	Confident	93.4	Very high	35 Å²	35	38.4 Å²	38.4	14%	0.137	21%	0.207	C	C	.	.			trans	-69	141.3	170.8	-75.5	-90.6	0	0	0	111.1	S534 A536 L553 E556 M585 L615	S534-Y558 CarbonylContact O-C 3.56Å; S534-Y558 VanDerWaalsContact O-CA 3.28Å; S534-Y558 WeakPolarHBondContact O-CA 3.38Å; S534-Y558 WeakPolarHBondContact O-CD1 3.46Å; A536-Y558 HydrophobicContact CB-CD1 3.72Å; A536-Y558 HydrophobicContact CB-CE1 4.41Å; A536-Y558 HydrophobicContact CB-CG 4.03Å; L553-Y558 HydrophobicContact CB-CD2 4.18Å; L553-Y558 HydrophobicContact CB-CG 4.38Å; L553-Y558 HydrophobicContact CD2-CD2 3.7Å; L553-Y558 HydrophobicContact CD2-CE2 3.83Å; L553-Y558 HydrophobicContact CD2-CG 4.27Å; L553-Y558 WeakPolarHBondContact O-CB 3.36Å; L553-Y558 WeakPolarHBondContact O-CD2 3.28Å; L553-Y558 PolarHBondContact O-N 2.88Å; E556-Y558 HydrophobicContact CB-CD2 4.38Å; Y558-M585 VanDerWaalsContact O-CE 3.3Å; Y558-M585 WeakPolarHBondContact O-CE 3.2Å; Y558-L615 HydrophobicContact CE1-CB 4.16Å; Y558-L615 HydrophobicContact CE1-CD2 4.34Å
559	R	89.6	Confident	93.4	Very high	66 Å²	66	38.3 Å²	38.3	25%	0.249	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.6	159.3	-69.7	179.8	68	-149.9	-1.8	108.9	S534 V535 A536 S584 M585 I609 F610	S534-R559 PolarHBondContact O-N 2.72Å; V535-R559 CarbonylContact C-O 3.49Å; V535-R559 VanDerWaalsContact CA-O 3.28Å; V535-R559 WeakPolarHBondContact CA-O 3.46Å; V535-R559 HydrophobicContact CG2-CB 4.16Å; A536-R559 PolarHBondContact N-O 3.17Å; R559-S584 PolarHBondContact NE-O 3.22Å; R559-M585 CarbonylContact C-O 3.4Å; R559-M585 WeakPolarHBondContact CA-O 3.48Å; R559-M585 HydrophobicContact CG-SD 4.46Å; R559-I609 PolarHBondContact NH2-O 2.99Å; R559-F610 HydrophobicContact CB-CD1 3.92Å; R559-F610 HydrophobicContact CB-CE1 3.89Å
560	V	95.7	Very high	93.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.2	-166.3	-170.3	0	0	0	0	112.4	A536 V538 C550 L553 A554 V562 M585 A586 Y587	A536-V560 CarbonylContact O-C 3.54Å; A536-V560 WeakPolarHBondContact O-CA 3.43Å; V538-V560 HydrophobicContact CG2-CG1 4.16Å; C550-V560 HydrophobicContact CB-CG1 3.93Å; L553-V560 HydrophobicContact CB-CG2 4.11Å; A554-V560 HydrophobicContact CB-CG2 4.08Å; V560-V562 HydrophobicContact CG1-CG2 4Å; V560-V562 PolarHBondContact O-N 3.38Å; V560-M585 PolarHBondContact N-O 3.41Å; V560-A586 HydrophobicContact CB-CB 4.3Å; V560-A586 CarbonylContact O-C 3.58Å; V560-A586 WeakPolarHBondContact O-CA 3.25Å; V560-A586 WeakPolarHBondContact O-CB 3.46Å; V560-Y587 PolarHBondContact O-N 3.46Å
561	A	98.3	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	102.2	163.6	0	0	0	0	0	109.1	A536 V537 V538 F589 V606 F610	A536-A561 PolarHBondContact O-N 3.29Å; V537-A561 HydrophobicContact CB-CB 4.36Å; V537-A561 HydrophobicContact CG1-CB 4.31Å; V537-A561 HydrophobicContact CG2-CB 4Å; V538-A561 PolarHBondContact N-O 3.16Å; A561-F589 HydrophobicContact CB-CD2 4.13Å; A561-F589 HydrophobicContact CB-CE2 3.73Å; A561-V606 HydrophobicContact CB-CG1 4.37Å; A561-V606 HydrophobicContact CB-CG2 3.97Å; A561-F610 HydrophobicContact CB-CD2 4.33Å; A561-F610 HydrophobicContact CB-CE2 3.83Å; A561-F610 HydrophobicContact CB-CZ 4.3Å
562	V	98.7	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.2	179.2	-174.1	0	0	0	0	108.4	G541 C550 V560 A570 V573 A574 I577 A586 Y587 G588 F589	G541-V562 WeakPolarHBondContact O-CG1 3.12Å; C550-V562 HydrophobicContact CB-CG2 4.26Å; V560-V562 HydrophobicContact CG1-CG2 4Å; V560-V562 PolarHBondContact O-N 3.38Å; V562-A570 HydrophobicContact CG1-CB 4.13Å; V562-V573 HydrophobicContact CG1-CB 4.08Å; V562-V573 HydrophobicContact CG1-CG1 4.03Å; V562-V573 HydrophobicContact CG2-CG1 4.14Å; V562-A574 HydrophobicContact CG2-CB 4.2Å; V562-I577 HydrophobicContact CG2-CD1 4.31Å; V562-A586 HydrophobicContact CG2-CB 4.39Å; V562-Y587 PolarHBondContact N-O 2.94Å; V562-G588 CarbonylContact O-C 3.51Å; V562-G588 WeakPolarHBondContact O-CA 3.3Å; V562-F589 PolarHBondContact O-N 3.3Å
563	V	98.7	Very high	93.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.7	-175.3	-171.1	0	0	0	0	110.9	V537 V538 I539 G540 G541 F589 A591 L602	V537-V563 HydrophobicContact CG1-CG2 3.94Å; V538-V563 WeakPolarHBondContact O-CB 3.46Å; V538-V563 PolarHBondContact O-N 3.39Å; I539-V563 HydrophobicContact CD1-CB 3.93Å; I539-V563 HydrophobicContact CD1-CG1 4Å; I539-V563 HydrophobicContact CD1-CG2 3.99Å; G540-V563 CarbonylContact C-O 3.24Å; G540-V563 WeakPolarHBondContact CA-O 3.44Å; G540-V563 PolarHBondContact N-O 2.75Å; G541-V563 PolarHBondContact N-O 2.98Å; V563-F589 WeakPolarHBondContact CA-O 3.27Å; V563-F589 HydrophobicContact CG1-CB 4.4Å; V563-F589 HydrophobicContact CG2-CB 4.26Å; V563-F589 HydrophobicContact CG2-CD2 4.35Å; V563-A591 HydrophobicContact CG1-CB 3.77Å; V563-L602 HydrophobicContact CB-CD1 4.46Å; V563-L602 HydrophobicContact CG1-CD1 3.84Å; V563-L602 HydrophobicContact CG1-CD2 3.7Å; V563-L602 HydrophobicContact CG1-CG 4.42Å; V563-L602 HydrophobicContact CG2-CD1 3.74Å; V563-L602 HydrophobicContact CG2-CD2 4.21Å
564	D	98.3	Very high	93.9	Very high	10 Å²	10	42 Å²	42	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.8	172.2	-157	-75.7	0	0	0	110.2	G542 Q566 A570 F589 G590 A591	G542-D564 PolarHBondContact N-OD2 2.96Å; D564-Q566 PolarHBondContact O-N 3.46Å; D564-Q566 PolarHBondContact OD1-N 3.39Å; D564-A570 HydrophobicContact CB-CB 4.08Å; D564-F589 PolarHBondContact N-O 3.33Å; D564-F589 VanDerWaalsContact N-O 3.1Å; D564-G590 CarbonylContact O-C 3.16Å; D564-G590 VanDerWaalsContact O-CA 3.29Å; D564-G590 WeakPolarHBondContact O-CA 3.21Å; D564-A591 PolarHBondContact O-N 3.43Å
565	I	97	Very high	94.3	Very high	115 Å²	115	48 Å²	48	59%	0.59	26%	0.258	S	S	*	.	S	Bend	trans	-67.4	-27.4	172.2	-164.5	170.5	0	0	0	111	A591 D592	I565-A591 WeakPolarHBondContact CA-O 3.24Å; I565-D592 HydrophobicContact CD1-CB 4.24Å; I565-D592 HydrophobicContact CG1-CB 4.41Å
566	Q	96.6	Very high	94.9	Very high	82 Å²	82	51.7 Å²	51.7	38%	0.383	27%	0.271	S	S	.	.	S	Bend	trans	-91.6	95.6	171.8	-71.5	157.9	93.6	0	0	109.5	D564 D568 K569 A570	D564-Q566 PolarHBondContact O-N 3.46Å; D564-Q566 PolarHBondContact OD1-N 3.39Å; Q566-D568 PolarHBondContact O-N 3.41Å; Q566-D568 VanDerWaalsContact O-N 3.16Å; Q566-K569 HydrophobicContact CB-CB 4.17Å; Q566-K569 HydrophobicContact CB-CD 4.06Å; Q566-K569 HydrophobicContact CB-CG 4.16Å; Q566-K569 WeakPolarHBondContact O-CB 3.49Å; Q566-K569 PolarHBondContact O-N 2.86Å; Q566-A570 PolarHBondContact O-N 2.83Å
567	S	95.8	Very high	95.5	Very high	61 Å²	61	46 Å²	46	43%	0.427	24%	0.244	S	C	.	.	H	α-helix	trans	-50.8	-40.5	-178.4	52.7	0	0	0	0	113.6	K569 A570 A571	S567-K569 VanDerWaalsContact C-N 3.3Å; S567-K569 PolarHBondContact O-N 2.79Å; S567-A570 PolarHBondContact O-N 2.86Å; S567-A571 WeakPolarHBondContact O-CB 3.47Å; S567-A571 PolarHBondContact O-N 3.36Å
568	D	97.2	Very high	96	Very high	118 Å²	118	45.9 Å²	45.9	63%	0.631	23%	0.234	S	C	*	.	H	α-helix	trans	-64.8	-36.9	-177	-57.2	-19	0	0	0	111.7	Q566 A571 N572	Q566-D568 PolarHBondContact O-N 3.41Å; Q566-D568 VanDerWaalsContact O-N 3.16Å; D568-A571 PolarHBondContact O-N 2.88Å; D568-N572 WeakPolarHBondContact O-CB 3.32Å; D568-N572 PolarHBondContact O-N 3.04Å; D568-N572 PolarHBondContact O-ND2 3.27Å; D568-N572 PolarHBondContact O-OD1 3.36Å
569	K	97.9	Very high	96	Very high	72 Å²	72	48.5 Å²	48.5	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-42.5	176.5	-74.4	-174.6	174	168.1	0	111.7	G542 Q543 Q566 S567 A571 N572 V573	G542-K569 WeakPolarHBondContact O-CB 3.38Å; Q543-K569 HydrophobicContact CB-CD 4.45Å; Q566-K569 HydrophobicContact CB-CB 4.17Å; Q566-K569 HydrophobicContact CB-CD 4.06Å; Q566-K569 HydrophobicContact CB-CG 4.16Å; Q566-K569 WeakPolarHBondContact O-CB 3.49Å; Q566-K569 PolarHBondContact O-N 2.86Å; S567-K569 VanDerWaalsContact C-N 3.3Å; S567-K569 PolarHBondContact O-N 2.79Å; K569-A571 VanDerWaalsContact C-N 3.33Å; K569-N572 PolarHBondContact O-N 2.91Å; K569-V573 WeakPolarHBondContact O-CG2 3.27Å; K569-V573 PolarHBondContact O-N 3.26Å; K569-V573 VanDerWaalsContact O-N 3.17Å
570	A	98.1	Very high	95.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-42.5	174.7	0	0	0	0	0	111.7	V562 D564 Q566 S567 A574	V562-A570 HydrophobicContact CG1-CB 4.13Å; D564-A570 HydrophobicContact CB-CB 4.08Å; Q566-A570 PolarHBondContact O-N 2.83Å; S567-A570 PolarHBondContact O-N 2.86Å; A570-A574 WeakPolarHBondContact O-CB 3.4Å; A570-A574 PolarHBondContact O-N 3.33Å; A570-A574 VanDerWaalsContact O-N 3.09Å
571	A	97.9	Very high	95	Very high	35 Å²	35	55 Å²	55	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-64.1	-43.2	177.2	0	0	0	0	0	112.4	S567 D568 K569 A574 Q575	S567-A571 WeakPolarHBondContact O-CB 3.47Å; S567-A571 PolarHBondContact O-N 3.36Å; D568-A571 PolarHBondContact O-N 2.88Å; K569-A571 VanDerWaalsContact C-N 3.33Å; A571-A574 PolarHBondContact O-N 3.29Å; A571-Q575 WeakPolarHBondContact O-CG 3.39Å; A571-Q575 PolarHBondContact O-N 2.71Å
572	N	98.2	Very high	93.8	Very high	83 Å²	83	56.6 Å²	56.6	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-47.1	178.8	-69.7	-15.3	0	0	0	112	D568 K569 A574 Q575 E576	D568-N572 WeakPolarHBondContact O-CB 3.32Å; D568-N572 PolarHBondContact O-N 3.04Å; D568-N572 PolarHBondContact O-ND2 3.27Å; D568-N572 PolarHBondContact O-OD1 3.36Å; K569-N572 PolarHBondContact O-N 2.91Å; N572-A574 VanDerWaalsContact C-N 3.31Å; N572-A574 PolarHBondContact O-N 3.29Å; N572-Q575 WeakPolarHBondContact O-CB 3.47Å; N572-Q575 PolarHBondContact O-N 3.44Å; N572-Q575 VanDerWaalsContact O-N 3.15Å; N572-E576 WeakPolarHBondContact O-CG 3.44Å; N572-E576 PolarHBondContact O-N 2.93Å
573	V	98.3	Very high	92.7	Very high	8 Å²	8	65.4 Å²	65.4	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-40.8	176.8	172.6	0	0	0	0	111	A547 C550 V562 K569 Q575 E576 I577	A547-V573 HydrophobicContact CB-CG1 4.31Å; A547-V573 HydrophobicContact CB-CG2 3.83Å; C550-V573 HydrophobicContact CB-CG1 4.12Å; V562-V573 HydrophobicContact CG1-CB 4.08Å; V562-V573 HydrophobicContact CG1-CG1 4.03Å; V562-V573 HydrophobicContact CG2-CG1 4.14Å; K569-V573 WeakPolarHBondContact O-CG2 3.27Å; K569-V573 PolarHBondContact O-N 3.26Å; K569-V573 VanDerWaalsContact O-N 3.17Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.42Å; V573-E576 PolarHBondContact O-N 3.46Å; V573-I577 HydrophobicContact CG1-CD1 4.01Å; V573-I577 WeakPolarHBondContact O-CG1 3.36Å; V573-I577 PolarHBondContact O-N 3.39Å
574	A	97.7	Very high	91.8	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-37.9	175.7	0	0	0	0	0	112.6	V562 A570 A571 N572 I577 N578 A586	V562-A574 HydrophobicContact CG2-CB 4.2Å; A570-A574 WeakPolarHBondContact O-CB 3.4Å; A570-A574 PolarHBondContact O-N 3.33Å; A570-A574 VanDerWaalsContact O-N 3.09Å; A571-A574 PolarHBondContact O-N 3.29Å; N572-A574 VanDerWaalsContact C-N 3.31Å; N572-A574 PolarHBondContact O-N 3.29Å; A574-I577 PolarHBondContact O-N 3.25Å; A574-N578 WeakPolarHBondContact O-CB 3.29Å; A574-N578 PolarHBondContact O-N 3.04Å; A574-N578 PolarHBondContact O-ND2 3.38Å; A574-N578 VanDerWaalsContact O-ND2 3.07Å; A574-A586 HydrophobicContact CB-CB 3.9Å
575	Q	97.3	Very high	91	Very high	127 Å²	127	70.5 Å²	70.5	59%	0.593	38%	0.384	S	S	*	.	H	α-helix	trans	-66.2	-42	175	-74.9	175.5	6.6	0	0	112.2	A571 N572 V573 N578 A579	A571-Q575 WeakPolarHBondContact O-CG 3.39Å; A571-Q575 PolarHBondContact O-N 2.71Å; N572-Q575 WeakPolarHBondContact O-CB 3.47Å; N572-Q575 PolarHBondContact O-N 3.44Å; N572-Q575 VanDerWaalsContact O-N 3.15Å; V573-Q575 VanDerWaalsContact C-N 3.34Å; V573-Q575 PolarHBondContact O-N 3.42Å; Q575-N578 PolarHBondContact O-N 2.67Å; Q575-A579 WeakPolarHBondContact O-CB 3.33Å; Q575-A579 PolarHBondContact O-N 2.96Å
576	E	97.5	Very high	90.9	Very high	105 Å²	105	65.2 Å²	65.2	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-48.5	174.4	-69.5	168.6	-173.1	0	0	110.9	H551 N572 V573 N578 A579 E580	H551-E576 IonicContact CE1-OE2 3.36Å; H551-E576 IonicContact NE2-OE2 2.76Å; H551-E576 PolarHBondContact NE2-OE2 2.89Å; H551-E576 VanDerWaalsContact NE2-OE2 3.17Å; N572-E576 WeakPolarHBondContact O-CG 3.44Å; N572-E576 PolarHBondContact O-N 2.93Å; V573-E576 PolarHBondContact O-N 3.46Å; E576-N578 PolarHBondContact O-N 3.46Å; E576-A579 PolarHBondContact O-N 2.97Å; E576-E580 PolarHBondContact O-N 3Å; E576-E580 VanDerWaalsContact O-N 3.08Å
577	I	93.7	Very high	90.9	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-45.5	176.9	-69.5	168	0	0	0	111.1	C550 H551 A554 V562 V573 A574 A579 E580 Y581 M585 A586	C550-I577 HydrophobicContact CB-CD1 3.78Å; H551-I577 WeakPolarHBondContact ND1-CG1 3.22Å; A554-I577 HydrophobicContact CB-CD1 4.41Å; A554-I577 HydrophobicContact CB-CG1 4.37Å; A554-I577 HydrophobicContact CB-CG2 3.5Å; V562-I577 HydrophobicContact CG2-CD1 4.31Å; V573-I577 HydrophobicContact CG1-CD1 4.01Å; V573-I577 WeakPolarHBondContact O-CG1 3.36Å; V573-I577 PolarHBondContact O-N 3.39Å; A574-I577 PolarHBondContact O-N 3.25Å; I577-A579 VanDerWaalsContact C-N 3.31Å; I577-A579 PolarHBondContact O-N 3.45Å; I577-E580 PolarHBondContact O-N 3.21Å; I577-Y581 HydrophobicContact CG2-CD2 3.99Å; I577-Y581 WeakPolarHBondContact O-CD2 3.31Å; I577-Y581 PolarHBondContact O-N 3.38Å; I577-M585 HydrophobicContact CG2-CB 4.07Å; I577-A586 HydrophobicContact CB-CB 3.8Å; I577-A586 HydrophobicContact CD1-CB 4.07Å; I577-A586 HydrophobicContact CG2-CB 3.59Å
578	N	87.8	Confident	91	Very high	41 Å²	41	64.9 Å²	64.9	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-34.1	179.7	-73.6	-34.6	0	0	0	112.7	A574 Q575 E576 G582 S584 M585 A586	A574-N578 WeakPolarHBondContact O-CB 3.29Å; A574-N578 PolarHBondContact O-N 3.04Å; A574-N578 PolarHBondContact O-ND2 3.38Å; A574-N578 VanDerWaalsContact O-ND2 3.07Å; Q575-N578 PolarHBondContact O-N 2.67Å; E576-N578 PolarHBondContact O-N 3.46Å; N578-G582 VanDerWaalsContact CA-O 3.31Å; N578-G582 WeakPolarHBondContact CA-O 3.35Å; N578-G582 CarbonylContact O-C 3.58Å; N578-G582 VanDerWaalsContact O-CA 3.29Å; N578-G582 WeakPolarHBondContact O-CA 3.45Å; N578-G582 PolarHBondContact O-N 3.36Å; N578-G582 PolarHBondContact OD1-O 2.84Å; N578-S584 PolarHBondContact OD1-N 2.94Å; N578-M585 PolarHBondContact OD1-N 2.89Å; N578-A586 PolarHBondContact ND2-O 3.4Å; N578-A586 PolarHBondContact OD1-N 3.35Å; N578-A586 PolarHBondContact OD1-O 3.3Å
579	A	85.7	Confident	91.1	Very high	90 Å²	90	60.3 Å²	60.3	74%	0.744	33%	0.325	S	S	*	.	H	α-helix	trans	-69.7	-33.9	176.6	0	0	0	0	0	112.2	Q575 E576 I577	Q575-A579 WeakPolarHBondContact O-CB 3.33Å; Q575-A579 PolarHBondContact O-N 2.96Å; E576-A579 PolarHBondContact O-N 2.97Å; I577-A579 VanDerWaalsContact C-N 3.31Å; I577-A579 PolarHBondContact O-N 3.45Å
580	E	87.1	Confident	91.1	Very high	128 Å²	128	59.2 Å²	59.2	60%	0.598	33%	0.333	S	S	*	.	H	α-helix	trans	-86	-42.4	-178.7	-171.9	172.3	-177.8	0	0	113.1	E576 I577	E576-E580 PolarHBondContact O-N 3Å; E576-E580 VanDerWaalsContact O-N 3.08Å; I577-E580 PolarHBondContact O-N 3.21Å
581	Y	78.3	Confident	91	Very high	75 Å²	75	59.7 Å²	59.7	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-111	-5.5	-170.4	-57.6	-78.3	0	0	0	114.6	A554 A555 I577 M585	A554-Y581 HydrophobicContact CB-CD2 3.96Å; A554-Y581 HydrophobicContact CB-CE2 4.22Å; A554-Y581 HydrophobicContact CB-CG 4.43Å; A555-Y581 HydrophobicContact CB-CE1 3.98Å; I577-Y581 HydrophobicContact CG2-CD2 3.99Å; I577-Y581 WeakPolarHBondContact O-CD2 3.31Å; I577-Y581 PolarHBondContact O-N 3.38Å; Y581-M585 WeakPolarHBondContact O-CG 3.27Å
582	G	71.4	Confident	91	Very high	34 Å²	34	60.8 Å²	60.8	35%	0.351	34%	0.338	S	S	.	.			trans	114	159.1	176.5	0	0	0	0	0	114.7	N578 M585	N578-G582 VanDerWaalsContact CA-O 3.31Å; N578-G582 WeakPolarHBondContact CA-O 3.35Å; N578-G582 CarbonylContact O-C 3.58Å; N578-G582 VanDerWaalsContact O-CA 3.29Å; N578-G582 WeakPolarHBondContact O-CA 3.45Å; N578-G582 PolarHBondContact O-N 3.36Å; N578-G582 PolarHBondContact OD1-O 2.84Å; G582-M585 WeakPolarHBondContact O-CB 3.38Å; G582-M585 VanDerWaalsContact O-CG 3.31Å; G582-M585 WeakPolarHBondContact O-CG 3.29Å; G582-M585 PolarHBondContact O-N 3.39Å
583	E	75.9	Confident	91	Very high	185 Å²	185	57.5 Å²	57.5	86%	0.864	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	142.6	-179.8	-70.3	-172.7	171.4	0	0	112.1	M585	E583-M585 PolarHBondContact O-N 3.29Å
584	S	80	Confident	91	Very high	83 Å²	83	59.3 Å²	59.3	58%	0.58	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	9.9	-179.3	-47.9	0	0	0	0	116.3	R559 N578	R559-S584 PolarHBondContact NE-O 3.22Å; N578-S584 PolarHBondContact OD1-N 2.94Å
585	M	82.1	Confident	91	Very high	36 Å²	36	61.1 Å²	61.1	18%	0.177	35%	0.346	C	S	.	.	S	Bend	trans	-70.3	-31.7	172.1	-76.5	-57.5	-64.6	0	0	112.8	Y558 R559 V560 I577 N578 Y581 G582 E583	Y558-M585 VanDerWaalsContact O-CE 3.3Å; Y558-M585 WeakPolarHBondContact O-CE 3.2Å; R559-M585 CarbonylContact C-O 3.4Å; R559-M585 WeakPolarHBondContact CA-O 3.48Å; R559-M585 HydrophobicContact CG-SD 4.46Å; V560-M585 PolarHBondContact N-O 3.41Å; I577-M585 HydrophobicContact CG2-CB 4.07Å; N578-M585 PolarHBondContact OD1-N 2.89Å; Y581-M585 WeakPolarHBondContact O-CG 3.27Å; G582-M585 WeakPolarHBondContact O-CB 3.38Å; G582-M585 VanDerWaalsContact O-CG 3.31Å; G582-M585 WeakPolarHBondContact O-CG 3.29Å; G582-M585 PolarHBondContact O-N 3.39Å; E583-M585 PolarHBondContact O-N 3.29Å
586	A	94	Very high	91	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.6	176.6	0	0	0	0	0	113.2	V560 V562 A574 I577 N578	V560-A586 HydrophobicContact CB-CB 4.3Å; V560-A586 CarbonylContact O-C 3.58Å; V560-A586 WeakPolarHBondContact O-CA 3.25Å; V560-A586 WeakPolarHBondContact O-CB 3.46Å; V562-A586 HydrophobicContact CG2-CB 4.39Å; A574-A586 HydrophobicContact CB-CB 3.9Å; I577-A586 HydrophobicContact CB-CB 3.8Å; I577-A586 HydrophobicContact CD1-CB 4.07Å; I577-A586 HydrophobicContact CG2-CB 3.59Å; N578-A586 PolarHBondContact ND2-O 3.4Å; N578-A586 PolarHBondContact OD1-N 3.35Å; N578-A586 PolarHBondContact OD1-O 3.3Å
587	Y	97	Very high	91	Very high	116 Å²	116	62.3 Å²	62.3	46%	0.455	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.9	173.5	-166.1	-85.2	0	0	0	110.6	V560 V562 F589 I609	V560-Y587 PolarHBondContact O-N 3.46Å; V562-Y587 PolarHBondContact N-O 2.94Å; Y587-F589 HydrophobicContact CD1-CD1 4.33Å; Y587-F589 HydrophobicContact CD1-CD2 4.03Å; Y587-F589 AromaticContact CD1-CE1 3.96Å; Y587-F589 HydrophobicContact CD1-CE1 3.96Å; Y587-F589 AromaticContact CD1-CE2 3.64Å; Y587-F589 HydrophobicContact CD1-CE2 3.64Å; Y587-F589 HydrophobicContact CD1-CG 4.36Å; Y587-F589 AromaticContact CD1-CZ 3.61Å; Y587-F589 HydrophobicContact CD1-CZ 3.61Å; Y587-F589 HydrophobicContact CE1-CD1 4.33Å; Y587-F589 HydrophobicContact CE1-CE1 4.05Å; Y587-F589 HydrophobicContact CE1-CZ 4.16Å; Y587-F589 HydrophobicContact CG-CE2 4.41Å; Y587-F589 HydrophobicContact CG-CZ 4.47Å; Y587-I609 HydrophobicContact CD1-CD1 3.54Å; Y587-I609 HydrophobicContact CD2-CD1 4Å; Y587-I609 HydrophobicContact CD2-CG2 4.28Å; Y587-I609 HydrophobicContact CE1-CD1 3.35Å; Y587-I609 HydrophobicContact CE2-CD1 3.83Å; Y587-I609 HydrophobicContact CG-CD1 3.87Å; Y587-I609 HydrophobicContact CG-CG2 4.17Å
588	G	98.1	Very high	91.2	Very high	20 Å²	20	63.7 Å²	63.7	21%	0.206	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.5	-178.7	0	0	0	0	0	112.9	V562	V562-G588 CarbonylContact O-C 3.51Å; V562-G588 WeakPolarHBondContact O-CA 3.3Å
589	F	98.4	Very high	91.7	Very high	23 Å²	23	61.8 Å²	61.8	10%	0.101	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.6	173.7	-61.1	-93.1	0	0	0	111.6	A561 V562 V563 D564 Y587 L602 V606 I609 F610	A561-F589 HydrophobicContact CB-CD2 4.13Å; A561-F589 HydrophobicContact CB-CE2 3.73Å; V562-F589 PolarHBondContact O-N 3.3Å; V563-F589 WeakPolarHBondContact CA-O 3.27Å; V563-F589 HydrophobicContact CG1-CB 4.4Å; V563-F589 HydrophobicContact CG2-CB 4.26Å; V563-F589 HydrophobicContact CG2-CD2 4.35Å; D564-F589 PolarHBondContact N-O 3.33Å; D564-F589 VanDerWaalsContact N-O 3.1Å; Y587-F589 HydrophobicContact CD1-CD1 4.33Å; Y587-F589 HydrophobicContact CD1-CD2 4.03Å; Y587-F589 AromaticContact CD1-CE1 3.96Å; Y587-F589 HydrophobicContact CD1-CE1 3.96Å; Y587-F589 AromaticContact CD1-CE2 3.64Å; Y587-F589 HydrophobicContact CD1-CE2 3.64Å; Y587-F589 HydrophobicContact CD1-CG 4.36Å; Y587-F589 AromaticContact CD1-CZ 3.61Å; Y587-F589 HydrophobicContact CD1-CZ 3.61Å; Y587-F589 HydrophobicContact CE1-CD1 4.33Å; Y587-F589 HydrophobicContact CE1-CE1 4.05Å; Y587-F589 HydrophobicContact CE1-CZ 4.16Å; Y587-F589 HydrophobicContact CG-CE2 4.41Å; Y587-F589 HydrophobicContact CG-CZ 4.47Å; F589-L602 HydrophobicContact CB-CD1 3.55Å; F589-L602 HydrophobicContact CD1-CD1 4.05Å; F589-L602 HydrophobicContact CD2-CD1 4.26Å; F589-L602 HydrophobicContact CG-CD1 3.71Å; F589-V606 HydrophobicContact CD2-CG2 4.2Å; F589-V606 HydrophobicContact CE1-CG2 4.31Å; F589-V606 HydrophobicContact CE2-CG2 3.71Å; F589-V606 HydrophobicContact CZ-CB 4.39Å; F589-V606 HydrophobicContact CZ-CG2 3.77Å; F589-I609 HydrophobicContact CE1-CD1 3.86Å; F589-I609 HydrophobicContact CZ-CB 4.46Å; F589-I609 HydrophobicContact CZ-CD1 3.74Å; F589-I609 HydrophobicContact CZ-CG1 4.5Å; F589-F610 AromaticContact CE2-CE2 3.86Å; F589-F610 HydrophobicContact CE2-CE2 3.86Å; F589-F610 HydrophobicContact CZ-CE2 4.13Å
590	G	97.8	Very high	92.3	Very high	48 Å²	48	59.9 Å²	59.9	50%	0.495	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.7	165.3	0	0	0	0	0	110.8	D564	D564-G590 CarbonylContact O-C 3.16Å; D564-G590 VanDerWaalsContact O-CA 3.29Å; D564-G590 WeakPolarHBondContact O-CA 3.21Å
591	A	97.8	Very high	92.8	Very high	11 Å²	11	56.7 Å²	56.7	9%	0.091	32%	0.324	C	S	.	.			trans	-149.6	139.7	177.5	0	0	0	0	0	113.6	V563 D564 I565 S598 L602	V563-A591 HydrophobicContact CG1-CB 3.77Å; D564-A591 PolarHBondContact O-N 3.43Å; I565-A591 WeakPolarHBondContact CA-O 3.24Å; A591-S598 WeakPolarHBondContact CA-OG 3.49Å; A591-L602 HydrophobicContact CB-CB 4.04Å; A591-L602 HydrophobicContact CB-CD1 4.2Å; A591-L602 HydrophobicContact CB-CD2 3.96Å; A591-L602 HydrophobicContact CB-CG 4.28Å
592	D	97.9	Very high	93.8	Very high	57 Å²	57	53.5 Å²	53.5	31%	0.305	31%	0.312	S	S	.	.			trans	-91.8	104.5	169.8	-178.5	-2.5	0	0	0	109.9	I565 T594 S595 S598	I565-D592 HydrophobicContact CD1-CB 4.24Å; I565-D592 HydrophobicContact CG1-CB 4.41Å; D592-T594 VanDerWaalsContact CG-OG1 3.29Å; D592-T594 PolarHBondContact O-N 3.33Å; D592-T594 VanDerWaalsContact O-N 3.09Å; D592-T594 WeakPolarHBondContact OD1-CB 3.47Å; D592-T594 PolarHBondContact OD1-N 3.28Å; D592-T594 PolarHBondContact OD1-OG1 3.49Å; D592-T594 PolarHBondContact OD2-OG1 3Å; D592-S595 PolarHBondContact O-N 2.9Å; D592-S598 PolarHBondContact N-OG 3.3Å; D592-S598 WeakPolarHBondContact O-CB 3.4Å
593	A	97.1	Very high	95	Very high	14 Å²	14	52.2 Å²	52.2	12%	0.116	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.7	179.4	0	0	0	0	0	113.8	I539 S595 Y618 G646	I539-A593 HydrophobicContact CG2-CB 3.99Å; A593-S595 VanDerWaalsContact C-N 3.32Å; A593-Y618 HydrophobicContact CB-CE2 4.11Å; A593-G646 WeakPolarHBondContact O-CA 3.39Å
594	T	97.5	Very high	96	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.3	177.9	72.2	0	0	0	0	113.3	D592 Q641 V642	D592-T594 VanDerWaalsContact CG-OG1 3.29Å; D592-T594 PolarHBondContact O-N 3.33Å; D592-T594 VanDerWaalsContact O-N 3.09Å; D592-T594 WeakPolarHBondContact OD1-CB 3.47Å; D592-T594 PolarHBondContact OD1-N 3.28Å; D592-T594 PolarHBondContact OD1-OG1 3.49Å; D592-T594 PolarHBondContact OD2-OG1 3Å; T594-Q641 HydrophobicContact CG2-CB 4.16Å; T594-V642 HydrophobicContact CG2-CB 4.39Å; T594-V642 HydrophobicContact CG2-CG2 3.71Å
595	S	98	Very high	96.8	Very high	41 Å²	41	48.5 Å²	48.5	29%	0.287	27%	0.268	S	S	.	.			trans	-103.4	116.3	179.6	172.8	0	0	0	0	110.9	D592 A593 Q597 S598 V599	D592-S595 PolarHBondContact O-N 2.9Å; A593-S595 VanDerWaalsContact C-N 3.32Å; S595-Q597 VanDerWaalsContact C-N 3.27Å; S595-Q597 PolarHBondContact O-N 3.17Å; S595-S598 WeakPolarHBondContact O-CB 3.2Å; S595-S598 PolarHBondContact O-N 2.89Å; S595-S598 PolarHBondContact OG-N 2.73Å; S595-V599 WeakPolarHBondContact O-CG2 3.44Å; S595-V599 PolarHBondContact O-N 3.45Å
596	E	97.7	Very high	97.4	Very high	95 Å²	95	46.8 Å²	46.8	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-41.5	177.7	-178.4	170.6	-142.6	0	0	112.4	S598 V599 L600 L649 R652	E596-S598 VanDerWaalsContact C-N 3.33Å; E596-S598 PolarHBondContact O-N 2.81Å; E596-V599 PolarHBondContact O-N 3.12Å; E596-L600 HydrophobicContact CG-CD1 4.2Å; E596-L600 WeakPolarHBondContact O-CG 3.49Å; E596-L600 PolarHBondContact O-N 3.42Å; E596-L649 HydrophobicContact CB-CD1 4.35Å; E596-L649 HydrophobicContact CB-CD2 4.18Å; E596-L649 HydrophobicContact CG-CD2 4.19Å; E596-R652 IonicContact OE1-CZ 3.72Å; E596-R652 IonicContact OE1-NH1 3.67Å; E596-R652 PolarHBondContact OE1-NH1 3.12Å; E596-R652 IonicContact OE1-NH2 3.45Å; E596-R652 PolarHBondContact OE1-NH2 3.22Å
597	Q	97.8	Very high	97.3	Very high	162 Å²	162	48.6 Å²	48.6	76%	0.757	27%	0.269	S	S	*	.	H	α-helix	trans	-64.4	-38.7	176.9	-68.6	-176.7	-11.9	0	0	112.1	S595 L600 A601	S595-Q597 VanDerWaalsContact C-N 3.27Å; S595-Q597 PolarHBondContact O-N 3.17Å; Q597-L600 PolarHBondContact O-N 2.89Å; Q597-A601 WeakPolarHBondContact O-CB 3.11Å; Q597-A601 PolarHBondContact O-N 2.92Å
598	S	98.1	Very high	96.9	Very high	29 Å²	29	51.3 Å²	51.3	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-37.6	177.3	-170.1	0	0	0	0	111.7	A591 D592 S595 E596 A601 L602	A591-S598 WeakPolarHBondContact CA-OG 3.49Å; D592-S598 PolarHBondContact N-OG 3.3Å; D592-S598 WeakPolarHBondContact O-CB 3.4Å; S595-S598 WeakPolarHBondContact O-CB 3.2Å; S595-S598 PolarHBondContact O-N 2.89Å; S595-S598 PolarHBondContact OG-N 2.73Å; E596-S598 VanDerWaalsContact C-N 3.33Å; E596-S598 PolarHBondContact O-N 2.81Å; S598-A601 PolarHBondContact O-N 3.11Å; S598-L602 VanDerWaalsContact O-CB 3.31Å; S598-L602 WeakPolarHBondContact O-CB 3.37Å; S598-L602 PolarHBondContact O-N 2.78Å
599	V	98.5	Very high	96.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-69.6	-38.1	177.3	177.6	0	0	0	0	111.4	S595 E596 L602 S603 L649 E653	S595-V599 WeakPolarHBondContact O-CG2 3.44Å; S595-V599 PolarHBondContact O-N 3.45Å; E596-V599 PolarHBondContact O-N 3.12Å; V599-L602 WeakPolarHBondContact O-CB 3.42Å; V599-L602 PolarHBondContact O-N 3.5Å; V599-S603 PolarHBondContact O-N 3.4Å; V599-S603 PolarHBondContact O-OG 3.43Å; V599-L649 HydrophobicContact CB-CB 4.43Å; V599-L649 HydrophobicContact CG1-CB 4.28Å; V599-L649 HydrophobicContact CG2-CB 4.13Å; V599-E653 HydrophobicContact CG1-CB 4.13Å; V599-E653 HydrophobicContact CG1-CG 3.8Å
600	L	97.8	Very high	95.6	Very high	50 Å²	50	52.8 Å²	52.8	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-40.1	173.2	-76.1	166.9	0	0	0	112.6	E596 Q597 S603 R604 E653	E596-L600 HydrophobicContact CG-CD1 4.2Å; E596-L600 WeakPolarHBondContact O-CG 3.49Å; E596-L600 PolarHBondContact O-N 3.42Å; Q597-L600 PolarHBondContact O-N 2.89Å; L600-S603 PolarHBondContact O-OG 3.42Å; L600-S603 VanDerWaalsContact O-OG 3.1Å; L600-R604 WeakPolarHBondContact O-CG 3.14Å; L600-R604 PolarHBondContact O-N 2.92Å; L600-E653 VanDerWaalsContact CD2-CD 3.49Å; L600-E653 HydrophobicContact CD2-CG 4.12Å; L600-E653 VanDerWaalsContact CD2-OE2 3.31Å; L600-E653 WeakPolarHBondContact CD2-OE2 3.23Å
601	A	97.7	Very high	94.9	Very high	61 Å²	61	52.8 Å²	52.8	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-67.3	-40.3	174.8	0	0	0	0	0	111.3	Q597 S598 G605	Q597-A601 WeakPolarHBondContact O-CB 3.11Å; Q597-A601 PolarHBondContact O-N 2.92Å; S598-A601 PolarHBondContact O-N 3.11Å; A601-G605 PolarHBondContact O-N 3.07Å
602	L	98.5	Very high	94.4	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-49.7	175.1	173.2	67.6	0	0	0	111.9	I539 V563 F589 A591 S598 V599 R604 G605 V606 F654	I539-L602 HydrophobicContact CD1-CD2 3.71Å; V563-L602 HydrophobicContact CB-CD1 4.46Å; V563-L602 HydrophobicContact CG1-CD1 3.84Å; V563-L602 HydrophobicContact CG1-CD2 3.7Å; V563-L602 HydrophobicContact CG1-CG 4.42Å; V563-L602 HydrophobicContact CG2-CD1 3.74Å; V563-L602 HydrophobicContact CG2-CD2 4.21Å; F589-L602 HydrophobicContact CB-CD1 3.55Å; F589-L602 HydrophobicContact CD1-CD1 4.05Å; F589-L602 HydrophobicContact CD2-CD1 4.26Å; F589-L602 HydrophobicContact CG-CD1 3.71Å; A591-L602 HydrophobicContact CB-CB 4.04Å; A591-L602 HydrophobicContact CB-CD1 4.2Å; A591-L602 HydrophobicContact CB-CD2 3.96Å; A591-L602 HydrophobicContact CB-CG 4.28Å; S598-L602 VanDerWaalsContact O-CB 3.31Å; S598-L602 WeakPolarHBondContact O-CB 3.37Å; S598-L602 PolarHBondContact O-N 2.78Å; V599-L602 WeakPolarHBondContact O-CB 3.42Å; V599-L602 PolarHBondContact O-N 3.5Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 3Å; L602-G605 PolarHBondContact O-N 3.17Å; L602-V606 HydrophobicContact CD1-CG2 4.02Å; L602-V606 HydrophobicContact CG-CG2 4.44Å; L602-V606 WeakPolarHBondContact O-CG2 3.31Å; L602-V606 PolarHBondContact O-N 3.36Å; L602-F654 HydrophobicContact CD2-CE2 4.19Å; L602-F654 HydrophobicContact CD2-CZ 4.12Å; L602-F654 HydrophobicContact CG-CZ 4.09Å
603	S	97.9	Very high	94.1	Very high	7 Å²	7	53.9 Å²	53.9	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-41.2	-178.1	64.8	0	0	0	0	111.7	V599 L600 V606 D607	V599-S603 PolarHBondContact O-N 3.4Å; V599-S603 PolarHBondContact O-OG 3.43Å; L600-S603 PolarHBondContact O-OG 3.42Å; L600-S603 VanDerWaalsContact O-OG 3.1Å; S603-V606 PolarHBondContact O-N 3.47Å; S603-D607 VanDerWaalsContact O-CB 3.31Å; S603-D607 WeakPolarHBondContact O-CB 3.45Å; S603-D607 PolarHBondContact O-N 3.15Å
604	R	97.3	Very high	93.9	Very high	174 Å²	174	54.2 Å²	54.2	66%	0.657	29%	0.286	S	S	*	.	H	α-helix	trans	-62.8	-43.9	173.2	-69.7	175.4	-173.2	172.3	2.6	112.8	L600 L602 D607 E608	L600-R604 WeakPolarHBondContact O-CG 3.14Å; L600-R604 PolarHBondContact O-N 2.92Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 3Å; R604-D607 WeakPolarHBondContact O-CB 3.32Å; R604-D607 PolarHBondContact O-N 3.34Å; R604-E608 WeakPolarHBondContact O-CB 3.44Å; R604-E608 PolarHBondContact O-N 3.05Å
605	G	94.9	Very high	93.9	Very high	16 Å²	16	52 Å²	52	17%	0.165	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-37.9	179.3	0	0	0	0	0	112.9	A601 L602 I609	A601-G605 PolarHBondContact O-N 3.07Å; L602-G605 PolarHBondContact O-N 3.17Å; G605-I609 WeakPolarHBondContact O-CG1 3.01Å; G605-I609 PolarHBondContact O-N 2.87Å
606	V	95.6	Very high	93.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-45.4	172.8	171.3	0	0	0	0	110.4	V537 A561 F589 L602 S603 E608 I609 F610 V613 F654	V537-V606 HydrophobicContact CG2-CG1 3.77Å; V537-V606 HydrophobicContact CG2-CG2 4.43Å; A561-V606 HydrophobicContact CB-CG1 4.37Å; A561-V606 HydrophobicContact CB-CG2 3.97Å; F589-V606 HydrophobicContact CD2-CG2 4.2Å; F589-V606 HydrophobicContact CE1-CG2 4.31Å; F589-V606 HydrophobicContact CE2-CG2 3.71Å; F589-V606 HydrophobicContact CZ-CB 4.39Å; F589-V606 HydrophobicContact CZ-CG2 3.77Å; L602-V606 HydrophobicContact CD1-CG2 4.02Å; L602-V606 HydrophobicContact CG-CG2 4.44Å; L602-V606 WeakPolarHBondContact O-CG2 3.31Å; L602-V606 PolarHBondContact O-N 3.36Å; S603-V606 PolarHBondContact O-N 3.47Å; V606-E608 PolarHBondContact O-N 3.35Å; V606-I609 PolarHBondContact O-N 2.72Å; V606-F610 HydrophobicContact CG1-CD2 4.18Å; V606-F610 WeakPolarHBondContact O-CB 3.25Å; V606-F610 PolarHBondContact O-N 3.43Å; V606-V613 HydrophobicContact CG1-CG2 3.62Å; V606-F654 HydrophobicContact CB-CE1 4.16Å; V606-F654 HydrophobicContact CG1-CE1 4.16Å; V606-F654 HydrophobicContact CG2-CE1 4.23Å; V606-F654 HydrophobicContact CG2-CZ 4.3Å
607	D	92.1	Very high	94	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-43.7	177.8	-171.6	40.2	0	0	0	112.3	S603 R604 I609 G611 L657 R660	S603-D607 VanDerWaalsContact O-CB 3.31Å; S603-D607 WeakPolarHBondContact O-CB 3.45Å; S603-D607 PolarHBondContact O-N 3.15Å; R604-D607 WeakPolarHBondContact O-CB 3.32Å; R604-D607 PolarHBondContact O-N 3.34Å; D607-I609 PolarHBondContact O-N 3.42Å; D607-G611 WeakPolarHBondContact O-CA 3.35Å; D607-G611 PolarHBondContact O-N 2.82Å; D607-L657 HydrophobicContact CB-CD1 4.23Å; D607-L657 HydrophobicContact CB-CD2 4.4Å; D607-R660 IonicContact OD1-CZ 3.75Å; D607-R660 IonicContact OD1-NH1 3Å; D607-R660 PolarHBondContact OD1-NH1 3.42Å; D607-R660 IonicContact OD1-NH2 2.68Å; D607-R660 PolarHBondContact OD1-NH2 3.01Å; D607-R660 IonicContact OD2-CZ 2.71Å; D607-R660 IonicContact OD2-NH1 3.94Å; D607-R660 PolarHBondContact OD2-NH1 2.68Å; D607-R660 IonicContact OD2-NH2 3.62Å
608	E	88.3	Confident	94	Very high	174 Å²	174	37.9 Å²	37.9	81%	0.813	20%	0.202	S	C	*	.	H	α-helix	trans	-65.7	-34.9	178.9	-168.9	173	-168.3	0	0	113.3	R604 V606	R604-E608 WeakPolarHBondContact O-CB 3.44Å; R604-E608 PolarHBondContact O-N 3.05Å; V606-E608 PolarHBondContact O-N 3.35Å
609	I	84.4	Confident	94	Very high	62 Å²	62	37.5 Å²	37.5	32%	0.318	20%	0.199	S	C	.	.	H	α-helix	trans	-89.1	-37.8	-176.4	-66.3	-179.4	0	0	0	112.7	R559 Y587 F589 G605 V606 D607	R559-I609 PolarHBondContact NH2-O 2.99Å; Y587-I609 HydrophobicContact CD1-CD1 3.54Å; Y587-I609 HydrophobicContact CD2-CD1 4Å; Y587-I609 HydrophobicContact CD2-CG2 4.28Å; Y587-I609 HydrophobicContact CE1-CD1 3.35Å; Y587-I609 HydrophobicContact CE2-CD1 3.83Å; Y587-I609 HydrophobicContact CG-CD1 3.87Å; Y587-I609 HydrophobicContact CG-CG2 4.17Å; F589-I609 HydrophobicContact CE1-CD1 3.86Å; F589-I609 HydrophobicContact CZ-CB 4.46Å; F589-I609 HydrophobicContact CZ-CD1 3.74Å; F589-I609 HydrophobicContact CZ-CG1 4.5Å; G605-I609 WeakPolarHBondContact O-CG1 3.01Å; G605-I609 PolarHBondContact O-N 2.87Å; V606-I609 PolarHBondContact O-N 2.72Å; D607-I609 PolarHBondContact O-N 3.42Å
610	F	84.9	Confident	93.9	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-108.8	-26.1	-172.7	-66.7	-85.1	0	0	0	113.7	V535 R559 A561 F589 V606 R612	V535-F610 HydrophobicContact CB-CB 4.43Å; V535-F610 HydrophobicContact CG1-CB 3.81Å; V535-F610 HydrophobicContact CG1-CD1 4.01Å; V535-F610 HydrophobicContact CG1-CG 3.86Å; V535-F610 HydrophobicContact CG2-CB 3.79Å; V535-F610 HydrophobicContact CG2-CD1 4.04Å; V535-F610 HydrophobicContact CG2-CG 4.26Å; R559-F610 HydrophobicContact CB-CD1 3.92Å; R559-F610 HydrophobicContact CB-CE1 3.89Å; A561-F610 HydrophobicContact CB-CD2 4.33Å; A561-F610 HydrophobicContact CB-CE2 3.83Å; A561-F610 HydrophobicContact CB-CZ 4.3Å; F589-F610 AromaticContact CE2-CE2 3.86Å; F589-F610 HydrophobicContact CE2-CE2 3.86Å; F589-F610 HydrophobicContact CZ-CE2 4.13Å; V606-F610 HydrophobicContact CG1-CD2 4.18Å; V606-F610 WeakPolarHBondContact O-CB 3.25Å; V606-F610 PolarHBondContact O-N 3.43Å; F610-R612 PolarHBondContact O-N 3.07Å
611	G	83.3	Confident	93.6	Very high	47 Å²	47	37.2 Å²	37.2	49%	0.485	21%	0.206	S	C	.	.	S	Bend	trans	73.7	0.8	177.3	0	0	0	0	0	116	D607	D607-G611 WeakPolarHBondContact O-CA 3.35Å; D607-G611 PolarHBondContact O-N 2.82Å
612	R	86.7	Confident	93.4	Very high	92 Å²	92	36.9 Å²	36.9	35%	0.347	20%	0.196	S	C	.	.			trans	-165.3	163.2	-180	65.3	-174.6	-65.9	149.1	4.4	110.8	V535 F610 D614 I663	V535-R612 HydrophobicContact CB-CG 4.13Å; V535-R612 VanDerWaalsContact CB-O 3.3Å; V535-R612 WeakPolarHBondContact CB-O 3.31Å; V535-R612 WeakPolarHBondContact CG1-O 3.34Å; V535-R612 HydrophobicContact CG2-CG 3.52Å; F610-R612 PolarHBondContact O-N 3.07Å; R612-D614 IonicContact CZ-OD1 3.45Å; R612-D614 IonicContact CZ-OD2 2.84Å; R612-D614 IonicContact NE-OD1 3.24Å; R612-D614 PolarHBondContact NE-OD1 2.93Å; R612-D614 IonicContact NE-OD2 3.91Å; R612-D614 PolarHBondContact NE-OD2 2.72Å; R612-D614 IonicContact NH2-OD1 3.07Å; R612-D614 PolarHBondContact NH2-OD1 3.38Å; R612-D614 IonicContact NH2-OD2 3.57Å; R612-I663 HydrophobicContact CB-CD1 3.83Å
613	V	93	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.			trans	-142.1	118.5	170.5	-180	0	0	0	0	109.9	V537 V606 F654 L657 M658	V537-V613 HydrophobicContact CG2-CG1 3.71Å; V537-V613 HydrophobicContact CG2-CG2 3.99Å; V606-V613 HydrophobicContact CG1-CG2 3.62Å; V613-F654 HydrophobicContact CB-CD1 4.39Å; V613-F654 HydrophobicContact CG1-CD1 4.02Å; V613-F654 HydrophobicContact CG2-CD1 3.93Å; V613-F654 HydrophobicContact CG2-CE1 4.2Å; V613-L657 HydrophobicContact CG2-CD1 4.21Å; V613-M658 HydrophobicContact CG1-CE 3.9Å; V613-M658 VanDerWaalsContact O-CG 3.31Å; V613-M658 WeakPolarHBondContact O-CG 3.15Å
614	D	92	Very high	92.3	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	22%	0.224	C	C	.	.	S	Bend	trans	-102.8	-32.9	-177.8	-58.9	-89.2	0	0	0	112.1	S534 V535 R612 I663 G665 R666	S534-D614 VanDerWaalsContact CA-OD2 3.27Å; S534-D614 WeakPolarHBondContact CA-OD2 3.4Å; V535-D614 PolarHBondContact N-OD2 2.9Å; V535-D614 PolarHBondContact O-N 3.17Å; R612-D614 IonicContact CZ-OD1 3.45Å; R612-D614 IonicContact CZ-OD2 2.84Å; R612-D614 IonicContact NE-OD1 3.24Å; R612-D614 PolarHBondContact NE-OD1 2.93Å; R612-D614 IonicContact NE-OD2 3.91Å; R612-D614 PolarHBondContact NE-OD2 2.72Å; R612-D614 IonicContact NH2-OD1 3.07Å; R612-D614 PolarHBondContact NH2-OD1 3.38Å; R612-D614 IonicContact NH2-OD2 3.57Å; D614-I663 HydrophobicContact CB-CG2 4.46Å; D614-I663 WeakPolarHBondContact OD1-CG2 3.42Å; D614-G665 CarbonylContact O-C 3.57Å; D614-G665 VanDerWaalsContact O-CA 3.27Å; D614-G665 WeakPolarHBondContact O-CA 3.21Å; D614-R666 PolarHBondContact O-N 3.16Å
615	L	97.7	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.3	-178.3	173.5	64.3	0	0	0	110.7	V535 A536 V537 L553 Y558 V617 R666 I668 A769	V535-L615 PolarHBondContact O-N 3Å; A536-L615 CarbonylContact C-O 3.6Å; A536-L615 VanDerWaalsContact CA-O 3.32Å; A536-L615 WeakPolarHBondContact CA-O 3.44Å; A536-L615 HydrophobicContact CB-CB 4.08Å; A536-L615 HydrophobicContact CB-CD2 3.98Å; A536-L615 HydrophobicContact CB-CG 4.27Å; V537-L615 PolarHBondContact N-O 3.2Å; L553-L615 HydrophobicContact CD1-CD2 4.2Å; L553-L615 HydrophobicContact CD2-CD2 3.58Å; Y558-L615 HydrophobicContact CE1-CB 4.16Å; Y558-L615 HydrophobicContact CE1-CD2 4.34Å; L615-V617 HydrophobicContact CD1-CG2 3.98Å; L615-V617 HydrophobicContact CD2-CG2 3.81Å; L615-V617 HydrophobicContact CG-CG2 3.74Å; L615-R666 CarbonylContact C-O 3.59Å; L615-R666 WeakPolarHBondContact CA-O 3.4Å; L615-R666 HydrophobicContact CD1-CB 3.69Å; L615-I668 HydrophobicContact CD1-CD1 3.91Å; L615-I668 HydrophobicContact CD1-CG1 4.13Å; L615-A769 HydrophobicContact CD1-CB 4.14Å; L615-A769 HydrophobicContact CD2-CB 3.89Å
616	L	98.8	Very high	91.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.6	164.6	172	65.6	0	0	0	109.3	V537 I539 C650 A651 F654 M658 R666 I667 I668	V537-L616 HydrophobicContact CB-CD1 4.17Å; V537-L616 HydrophobicContact CG1-CD1 4.17Å; I539-L616 HydrophobicContact CD1-CD1 4.41Å; I539-L616 HydrophobicContact CG1-CD1 3.9Å; L616-C650 HydrophobicContact CD1-CB 4.5Å; L616-C650 HydrophobicContact CD2-CB 4.14Å; L616-A651 HydrophobicContact CD2-CB 4.44Å; L616-F654 HydrophobicContact CB-CB 4.45Å; L616-F654 HydrophobicContact CD1-CD2 3.66Å; L616-F654 HydrophobicContact CD1-CE2 4.08Å; L616-F654 HydrophobicContact CD1-CG 4.27Å; L616-F654 HydrophobicContact CD2-CB 4.04Å; L616-F654 HydrophobicContact CD2-CD2 3.97Å; L616-F654 HydrophobicContact CD2-CG 4.37Å; L616-F654 HydrophobicContact CG-CD2 4.36Å; L616-M658 HydrophobicContact CB-CE 4.37Å; L616-R666 PolarHBondContact N-O 3.42Å; L616-I667 HydrophobicContact CB-CG1 4.34Å; L616-I667 HydrophobicContact CD2-CG2 4.08Å; L616-I668 PolarHBondContact O-N 3.11Å
617	V	98.7	Very high	90.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111	170.9	-171.8	0	0	0	0	109.6	V537 V538 I539 L549 L553 L615 S619 I668 I670 L765	V537-V617 PolarHBondContact O-N 2.86Å; V538-V617 WeakPolarHBondContact CA-O 3.13Å; V538-V617 HydrophobicContact CG1-CB 4.34Å; V538-V617 HydrophobicContact CG2-CB 4.23Å; V538-V617 HydrophobicContact CG2-CG2 4.43Å; I539-V617 PolarHBondContact N-O 2.79Å; L549-V617 HydrophobicContact CD1-CG1 4.34Å; L553-V617 HydrophobicContact CD1-CG2 4.33Å; L615-V617 HydrophobicContact CD1-CG2 3.98Å; L615-V617 HydrophobicContact CD2-CG2 3.81Å; L615-V617 HydrophobicContact CG-CG2 3.74Å; V617-S619 PolarHBondContact O-N 3.39Å; V617-I668 CarbonylContact C-O 3.47Å; V617-I668 WeakPolarHBondContact CA-O 3.44Å; V617-I670 HydrophobicContact CG1-CD1 4.22Å; V617-I670 HydrophobicContact CG1-CG1 4.13Å; V617-L765 HydrophobicContact CG1-CD1 4.23Å; V617-L765 HydrophobicContact CG2-CD1 3.76Å; V617-L765 HydrophobicContact CG2-CD2 4.22Å
618	Y	98.7	Very high	90.8	Very high	2 Å²	2	44 Å²	44	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	94.9	174.1	-164.6	-86.9	0	0	0	110.5	I539 A593 A620 V642 G646 Y647 C650 I668 Q669 I670	I539-Y618 HydrophobicContact CB-CD2 3.78Å; I539-Y618 HydrophobicContact CB-CE2 4.1Å; I539-Y618 HydrophobicContact CB-CG 4.46Å; I539-Y618 HydrophobicContact CG1-CD2 3.9Å; I539-Y618 HydrophobicContact CG1-CE2 4.38Å; I539-Y618 HydrophobicContact CG2-CD2 3.91Å; I539-Y618 HydrophobicContact CG2-CE2 3.66Å; A593-Y618 HydrophobicContact CB-CE2 4.11Å; Y618-A620 HydrophobicContact CE1-CB 4.13Å; Y618-A620 WeakPolarHBondContact CE1-O 3.4Å; Y618-V642 PolarHBondContact OH-O 3.18Å; Y618-G646 VanDerWaalsContact CE2-O 3.27Å; Y618-G646 WeakPolarHBondContact CE2-O 3.44Å; Y618-G646 VanDerWaalsContact CZ-C 3.4Å; Y618-G646 VanDerWaalsContact OH-C 3.26Å; Y618-G646 VanDerWaalsContact OH-CA 3.3Å; Y618-G646 WeakPolarHBondContact OH-CA 3.32Å; Y618-Y647 HydrophobicContact CD1-CD2 4.36Å; Y618-Y647 HydrophobicContact CD1-CG 4.32Å; Y618-Y647 HydrophobicContact CD2-CD2 4.42Å; Y618-Y647 AromaticContact CG-CD2 3.93Å; Y618-Y647 HydrophobicContact CG-CD2 3.93Å; Y618-Y647 HydrophobicContact CG-CG 4.31Å; Y618-Y647 PolarHBondContact OH-N 2.98Å; Y618-C650 HydrophobicContact CD2-CB 3.97Å; Y618-C650 HydrophobicContact CE2-CB 4.21Å; Y618-I668 PolarHBondContact N-O 3.31Å; Y618-Q669 HydrophobicContact CD1-CG 4.44Å; Y618-I670 PolarHBondContact O-N 3.3Å
619	S	97.6	Very high	91	Very high	20 Å²	20	40 Å²	40	14%	0.14	23%	0.233	C	C	.	.			trans	-100.6	-14.1	-179.2	-170.6	0	0	0	0	114.5	I539 V617 G621	I539-S619 CarbonylContact O-C 3.48Å; I539-S619 VanDerWaalsContact O-CA 3.29Å; I539-S619 WeakPolarHBondContact O-CA 3.35Å; I539-S619 WeakPolarHBondContact O-CB 3.48Å; I539-S619 PolarHBondContact O-N 3.17Å; V617-S619 PolarHBondContact O-N 3.39Å; S619-G621 PolarHBondContact O-N 3.31Å
620	A	95.5	Very high	91.3	Very high	20 Å²	20	42 Å²	42	17%	0.165	24%	0.244	C	C	.	.			trans	-60.2	135.9	-178.8	0	0	0	0	0	111.8	I539 Y618	I539-A620 HydrophobicContact CG2-CB 4.02Å; I539-A620 PolarHBondContact O-N 3.24Å; Y618-A620 HydrophobicContact CE1-CB 4.13Å; Y618-A620 WeakPolarHBondContact CE1-O 3.4Å
621	G	92.9	Very high	91.5	Very high	25 Å²	25	42.5 Å²	42.5	26%	0.258	25%	0.246	S	C	.	.			trans	-171.1	153.8	178	0	0	0	0	0	114.2	S619 N643 M723	S619-G621 PolarHBondContact O-N 3.31Å; G621-N643 WeakPolarHBondContact CA-OD1 3.31Å; G621-M723 WeakPolarHBondContact O-CE 3.35Å
622	I	92.3	Very high	92	Very high	55 Å²	55	46 Å²	46	28%	0.282	25%	0.25	S	C	.	.			trans	-135.3	153.8	176.3	63.9	171	0	0	0	110.1	R638 V642 N643 Y685	I622-R638 HydrophobicContact CD1-CB 4.23Å; I622-R638 HydrophobicContact CD1-CG 3.64Å; I622-V642 HydrophobicContact CD1-CB 4.24Å; I622-V642 HydrophobicContact CD1-CG2 3.95Å; I622-V642 HydrophobicContact CG1-CB 4.06Å; I622-V642 HydrophobicContact CG1-CG1 4.36Å; I622-V642 HydrophobicContact CG1-CG2 4.29Å; I622-V642 HydrophobicContact CG2-CG1 4.27Å; I622-N643 PolarHBondContact N-OD1 3.46Å; I622-N643 VanDerWaalsContact N-OD1 3.14Å; I622-N643 PolarHBondContact O-ND2 3.24Å; I622-Y685 VanDerWaalsContact O-CD2 3.23Å; I622-Y685 WeakPolarHBondContact O-CD2 3.45Å
623	A	89	Confident	92.4	Very high	31 Å²	31	47.3 Å²	47.3	26%	0.256	26%	0.263	S	S	.	.			trans	-136.2	138.3	173.9	0	0	0	0	0	110.4	Y685 M723	A623-Y685 HydrophobicContact CB-CD2 3.86Å; A623-Y685 HydrophobicContact CB-CE2 4.19Å; A623-Y685 HydrophobicContact CB-CG 4.17Å; A623-M723 HydrophobicContact CB-SD 4.31Å
624	K	85.7	Confident	92.5	Very high	98 Å²	98	49.7 Å²	49.7	43%	0.426	29%	0.288	S	S	.	.			trans	-126.5	130.7	170.4	-174.7	76.9	172.3	-167.2	0	108.5	F631 D635 N682	K624-F631 HydrophobicContact CB-CZ 4.23Å; K624-F631 HydrophobicContact CG-CZ 4.45Å; K624-F631 WeakPolarHBondContact O-CE2 3.42Å; K624-F631 WeakPolarHBondContact O-CZ 3.23Å; K624-D635 HydrophobicContact CB-CB 4.32Å; K624-D635 WeakPolarHBondContact CE-OD2 3.47Å; K624-D635 HydrophobicContact CG-CB 3.96Å; K624-N682 PolarHBondContact O-OD1 2.71Å
625	A	84.5	Confident	92.6	Very high	18 Å²	18	51 Å²	51	15%	0.149	30%	0.295	C	S	.	.			trans	-105.6	125.7	175.6	0	0	0	0	0	110.8	H681 N682	A625-H681 CarbonylContact C-O 3.05Å; A625-H681 VanDerWaalsContact CA-O 3.22Å; A625-H681 WeakPolarHBondContact CA-O 3.47Å; A625-N682 WeakPolarHBondContact CA-OD1 3.47Å; A625-N682 VanDerWaalsContact CB-OD1 3.27Å; A625-N682 WeakPolarHBondContact CB-OD1 2.95Å
626	A	85	Confident	92.5	Very high	23 Å²	23	54 Å²	54	19%	0.19	31%	0.308	C	S	.	.			trans	-153.5	155.2	169.8	0	0	0	0	0	110.2	F631 H681	A626-F631 HydrophobicContact CB-CB 4.17Å; A626-F631 HydrophobicContact CB-CD2 3.64Å; A626-F631 HydrophobicContact CB-CE2 4.19Å; A626-F631 HydrophobicContact CB-CG 4.03Å; A626-F631 WeakPolarHBondContact O-CD2 3.4Å; A626-H681 PolarHBondContact N-O 2.81Å; A626-H681 CarbonylContact O-C 3.55Å; A626-H681 WeakPolarHBondContact O-CA 3.49Å; A626-H681 VanDerWaalsContact O-CB 3.26Å; A626-H681 WeakPolarHBondContact O-CB 3.2Å
627	F	87.1	Confident	92.4	Very high	107 Å²	107	57.4 Å²	57.4	47%	0.469	33%	0.327	S	S	.	.			trans	-68.8	149.7	170.1	-177	-107.1	0	0	0	109.9	S629 D630 F631 H681	F627-S629 VanDerWaalsContact C-N 3.3Å; F627-S629 WeakPolarHBondContact CD1-OG 3.43Å; F627-S629 WeakPolarHBondContact CE1-OG 3.42Å; F627-S629 PolarHBondContact O-N 2.92Å; F627-D630 CarbonylContact O-C 3.58Å; F627-D630 PolarHBondContact O-N 3.02Å; F627-F631 PolarHBondContact O-N 2.89Å; F627-H681 AromaticContact CD2-CD2 3.96Å; F627-H681 AromaticContact CD2-NE2 3.7Å
628	I	90.4	Very high	92.3	Very high	118 Å²	118	65.5 Å²	65.5	61%	0.605	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.1	-166.9	-171.8	58.5	0	0	0	113.8	D630	I628-D630 PolarHBondContact O-N 2.84Å
629	S	92.2	Very high	92.1	Very high	90 Å²	90	65.4 Å²	65.4	63%	0.629	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.1	176.6	60.7	0	0	0	0	113.6	F627	F627-S629 VanDerWaalsContact C-N 3.3Å; F627-S629 WeakPolarHBondContact CD1-OG 3.43Å; F627-S629 WeakPolarHBondContact CE1-OG 3.42Å; F627-S629 PolarHBondContact O-N 2.92Å
630	D	91.2	Very high	92.1	Very high	103 Å²	103	66.4 Å²	66.4	55%	0.551	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-2.8	-176.2	-47.3	-33	0	0	0	111.5	F627 I628 Q632	F627-D630 CarbonylContact O-C 3.58Å; F627-D630 PolarHBondContact O-N 3.02Å; I628-D630 PolarHBondContact O-N 2.84Å; D630-Q632 PolarHBondContact O-N 3.33Å; D630-Q632 PolarHBondContact O-NE2 3.49Å
631	F	89.1	Confident	92.2	Very high	24 Å²	24	69.5 Å²	69.5	11%	0.105	37%	0.372	C	S	.	.			trans	-73.6	109	-177.1	-150.9	-62.7	0	0	0	109.7	K624 A626 F627 D635 F636 H681 S683	K624-F631 HydrophobicContact CB-CZ 4.23Å; K624-F631 HydrophobicContact CG-CZ 4.45Å; K624-F631 WeakPolarHBondContact O-CE2 3.42Å; K624-F631 WeakPolarHBondContact O-CZ 3.23Å; A626-F631 HydrophobicContact CB-CB 4.17Å; A626-F631 HydrophobicContact CB-CD2 3.64Å; A626-F631 HydrophobicContact CB-CE2 4.19Å; A626-F631 HydrophobicContact CB-CG 4.03Å; A626-F631 WeakPolarHBondContact O-CD2 3.4Å; F627-F631 PolarHBondContact O-N 2.89Å; F631-D635 HydrophobicContact CD1-CB 4.37Å; F631-D635 HydrophobicContact CE1-CB 3.83Å; F631-F636 HydrophobicContact CD1-CB 4.27Å; F631-F636 HydrophobicContact CE1-CB 4.13Å; F631-H681 WeakPolarHBondContact CE2-O 3.44Å; F631-S683 VanDerWaalsContact CD2-OG 3.25Å; F631-S683 WeakPolarHBondContact CD2-OG 3.35Å; F631-S683 WeakPolarHBondContact CE2-OG 3.43Å
632	Q	93.9	Very high	92.5	Very high	120 Å²	120	69.6 Å²	69.6	56%	0.561	37%	0.367	S	S	*	.			trans	-68.8	137.4	-176.6	-58.5	-56	-61.5	0	0	111	D630 G634 D635 F636	D630-Q632 PolarHBondContact O-N 3.33Å; D630-Q632 PolarHBondContact O-NE2 3.49Å; Q632-G634 VanDerWaalsContact C-N 3.25Å; Q632-G634 PolarHBondContact O-N 3.27Å; Q632-D635 PolarHBondContact O-N 2.93Å; Q632-F636 PolarHBondContact O-N 3.3Å; Q632-F636 VanDerWaalsContact O-N 3.16Å
633	L	95.3	Very high	92.7	Very high	119 Å²	119	67 Å²	67	62%	0.623	35%	0.353	S	S	*	.	H	α-helix	trans	-56.1	-40.6	178	178.5	60.3	0	0	0	111.9	D635 F636 D637	L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 3.41Å; L633-F636 HydrophobicContact CD1-CD1 4.4Å; L633-F636 WeakPolarHBondContact O-CA 3.24Å; L633-F636 WeakPolarHBondContact O-CB 3.34Å; L633-F636 PolarHBondContact O-N 3.27Å; L633-F636 VanDerWaalsContact O-N 3.07Å; L633-D637 PolarHBondContact O-N 2.71Å
634	G	95.5	Very high	93.2	Very high	51 Å²	51	67.3 Å²	67.3	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-35.4	177.4	0	0	0	0	0	113.9	Q632 R638	Q632-G634 VanDerWaalsContact C-N 3.25Å; Q632-G634 PolarHBondContact O-N 3.27Å; G634-R638 VanDerWaalsContact O-CB 3.25Å; G634-R638 WeakPolarHBondContact O-CB 3.19Å; G634-R638 PolarHBondContact O-N 3.27Å
635	D	93	Very high	93.8	Very high	48 Å²	48	64.8 Å²	64.8	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-71.6	-34.7	175.2	-75.7	-35.7	0	0	0	111.6	K624 F631 Q632 L633 S639	K624-D635 HydrophobicContact CB-CB 4.32Å; K624-D635 WeakPolarHBondContact CE-OD2 3.47Å; K624-D635 HydrophobicContact CG-CB 3.96Å; F631-D635 HydrophobicContact CD1-CB 4.37Å; F631-D635 HydrophobicContact CE1-CB 3.83Å; Q632-D635 PolarHBondContact O-N 2.93Å; L633-D635 VanDerWaalsContact C-N 3.3Å; L633-D635 PolarHBondContact O-N 3.41Å; D635-S639 WeakPolarHBondContact O-CB 3.38Å; D635-S639 PolarHBondContact O-N 2.73Å; D635-S639 VanDerWaalsContact O-N 3.11Å; D635-S639 PolarHBondContact O-OG 3.26Å
636	F	95.4	Very high	94.4	Very high	61 Å²	61	63.9 Å²	63.9	27%	0.268	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-51.6	175.2	179.3	-89.8	0	0	0	110.8	F631 Q632 L633 R638 S639 L640 A687	F631-F636 HydrophobicContact CD1-CB 4.27Å; F631-F636 HydrophobicContact CE1-CB 4.13Å; Q632-F636 PolarHBondContact O-N 3.3Å; Q632-F636 VanDerWaalsContact O-N 3.16Å; L633-F636 HydrophobicContact CD1-CD1 4.4Å; L633-F636 WeakPolarHBondContact O-CA 3.24Å; L633-F636 WeakPolarHBondContact O-CB 3.34Å; L633-F636 PolarHBondContact O-N 3.27Å; L633-F636 VanDerWaalsContact O-N 3.07Å; F636-R638 PolarHBondContact O-N 3.45Å; F636-S639 WeakPolarHBondContact O-CB 3.5Å; F636-S639 PolarHBondContact O-N 2.88Å; F636-S639 VanDerWaalsContact O-N 3.11Å; F636-L640 HydrophobicContact CD1-CD1 4Å; F636-L640 HydrophobicContact CD1-CG 4.49Å; F636-L640 HydrophobicContact CE1-CD1 3.39Å; F636-L640 HydrophobicContact CE1-CG 4.11Å; F636-L640 HydrophobicContact CZ-CD1 3.98Å; F636-L640 HydrophobicContact CZ-CG 4.44Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.08Å; F636-A687 HydrophobicContact CE2-CB 4.14Å; F636-A687 HydrophobicContact CZ-CB 4.28Å
637	D	97.1	Very high	95.1	Very high	73 Å²	73	62.8 Å²	62.8	39%	0.39	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-44.9	178.9	-70.7	-20.6	0	0	0	111.2	L633 S639 L640 Q641	L633-D637 PolarHBondContact O-N 2.71Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.5Å; D637-L640 PolarHBondContact O-N 3.29Å; D637-L640 VanDerWaalsContact O-N 3.09Å; D637-Q641 WeakPolarHBondContact O-CG 3.34Å; D637-Q641 PolarHBondContact O-N 3.18Å
638	R	96.4	Very high	95.6	Very high	169 Å²	169	61.6 Å²	61.6	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-37.5	176.7	-162	-179.3	178.9	132.3	1.5	111.9	I622 G634 F636 Q641 V642	I622-R638 HydrophobicContact CD1-CB 4.23Å; I622-R638 HydrophobicContact CD1-CG 3.64Å; G634-R638 VanDerWaalsContact O-CB 3.25Å; G634-R638 WeakPolarHBondContact O-CB 3.19Å; G634-R638 PolarHBondContact O-N 3.27Å; F636-R638 PolarHBondContact O-N 3.45Å; R638-Q641 PolarHBondContact O-N 2.94Å; R638-V642 PolarHBondContact O-N 3.2Å; R638-V642 VanDerWaalsContact O-N 3.12Å
639	S	95.2	Very high	96	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.3	-62.6	0	0	0	0	112	D635 F636 D637 N643	D635-S639 WeakPolarHBondContact O-CB 3.38Å; D635-S639 PolarHBondContact O-N 2.73Å; D635-S639 VanDerWaalsContact O-N 3.11Å; D635-S639 PolarHBondContact O-OG 3.26Å; F636-S639 WeakPolarHBondContact O-CB 3.5Å; F636-S639 PolarHBondContact O-N 2.88Å; F636-S639 VanDerWaalsContact O-N 3.11Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.5Å; S639-N643 VanDerWaalsContact O-CB 3.23Å; S639-N643 WeakPolarHBondContact O-CB 3.49Å; S639-N643 PolarHBondContact O-N 3.09Å; S639-N643 VanDerWaalsContact O-N 3.13Å; S639-N643 PolarHBondContact O-ND2 3.31Å
640	L	97.9	Very high	96.4	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-45.9	174.8	-68.6	179	0	0	0	111.8	F636 D637 V642 L644 V645 A687 A688	F636-L640 HydrophobicContact CD1-CD1 4Å; F636-L640 HydrophobicContact CD1-CG 4.49Å; F636-L640 HydrophobicContact CE1-CD1 3.39Å; F636-L640 HydrophobicContact CE1-CG 4.11Å; F636-L640 HydrophobicContact CZ-CD1 3.98Å; F636-L640 HydrophobicContact CZ-CG 4.44Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.08Å; D637-L640 PolarHBondContact O-N 3.29Å; D637-L640 VanDerWaalsContact O-N 3.09Å; L640-V642 PolarHBondContact O-N 2.84Å; L640-L644 HydrophobicContact CD2-CD2 4.48Å; L640-L644 WeakPolarHBondContact O-CA 3.22Å; L640-L644 WeakPolarHBondContact O-CB 3.3Å; L640-L644 PolarHBondContact O-N 3.19Å; L640-V645 PolarHBondContact O-N 2.79Å; L640-A687 HydrophobicContact CD2-CB 4.35Å; L640-A688 HydrophobicContact CD2-CB 3.94Å
641	Q	98.2	Very high	96.7	Very high	85 Å²	85	47.4 Å²	47.4	40%	0.397	24%	0.24	S	C	.	.	I	π-helix	trans	-58.4	-49.2	-177.9	-71.7	-59.3	-34	0	0	111.7	T594 D637 R638 V645 G646	T594-Q641 HydrophobicContact CG2-CB 4.16Å; D637-Q641 WeakPolarHBondContact O-CG 3.34Å; D637-Q641 PolarHBondContact O-N 3.18Å; R638-Q641 PolarHBondContact O-N 2.94Å; Q641-V645 WeakPolarHBondContact O-CB 3.49Å; Q641-V645 PolarHBondContact O-N 3.36Å; Q641-G646 PolarHBondContact O-N 2.99Å
642	V	97.7	Very high	97.2	Very high	26 Å²	26	49 Å²	49	16%	0.158	25%	0.245	C	C	.	.	I	π-helix	trans	-77.2	-46.4	-177.4	-179.9	0	0	0	0	112.5	T594 Y618 I622 R638 L640	T594-V642 HydrophobicContact CG2-CB 4.39Å; T594-V642 HydrophobicContact CG2-CG2 3.71Å; Y618-V642 PolarHBondContact OH-O 3.18Å; I622-V642 HydrophobicContact CD1-CB 4.24Å; I622-V642 HydrophobicContact CD1-CG2 3.95Å; I622-V642 HydrophobicContact CG1-CB 4.06Å; I622-V642 HydrophobicContact CG1-CG1 4.36Å; I622-V642 HydrophobicContact CG1-CG2 4.29Å; I622-V642 HydrophobicContact CG2-CG1 4.27Å; R638-V642 PolarHBondContact O-N 3.2Å; R638-V642 VanDerWaalsContact O-N 3.12Å; L640-V642 PolarHBondContact O-N 2.84Å
643	N	97.4	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-83.9	-20	-170.7	-63.6	-62.7	0	0	0	113.8	G621 I622 S639 Q669 A688	G621-N643 WeakPolarHBondContact CA-OD1 3.31Å; I622-N643 PolarHBondContact N-OD1 3.46Å; I622-N643 VanDerWaalsContact N-OD1 3.14Å; I622-N643 PolarHBondContact O-ND2 3.24Å; S639-N643 VanDerWaalsContact O-CB 3.23Å; S639-N643 WeakPolarHBondContact O-CB 3.49Å; S639-N643 PolarHBondContact O-N 3.09Å; S639-N643 VanDerWaalsContact O-N 3.13Å; S639-N643 PolarHBondContact O-ND2 3.31Å; N643-Q669 PolarHBondContact O-NE2 3.08Å; N643-A688 HydrophobicContact CB-CB 3.62Å
644	L	98.4	Very high	97.5	Very high	38 Å²	38	38.1 Å²	38.1	20%	0.199	19%	0.191	C	C	.	.	I	π-helix	trans	-124.3	-55.7	-174.6	-179.3	60.6	0	0	0	112.8	L640 Y647 F648 A688 L695	L640-L644 HydrophobicContact CD2-CD2 4.48Å; L640-L644 WeakPolarHBondContact O-CA 3.22Å; L640-L644 WeakPolarHBondContact O-CB 3.3Å; L640-L644 PolarHBondContact O-N 3.19Å; L644-Y647 WeakPolarHBondContact O-CB 3.44Å; L644-Y647 PolarHBondContact O-N 3.45Å; L644-F648 PolarHBondContact O-N 2.7Å; L644-A688 HydrophobicContact CB-CB 4.27Å; L644-L695 HydrophobicContact CD1-CB 4.34Å; L644-L695 HydrophobicContact CD1-CD2 3.93Å
645	V	98.5	Very high	97.7	Very high	45 Å²	45	36.2 Å²	36.2	27%	0.273	17%	0.17	S	C	.	.	I	π-helix	trans	-65.8	-44.3	-176.4	-179.6	0	0	0	0	111.1	L640 Q641 Y647 F648 L649	L640-V645 PolarHBondContact O-N 2.79Å; Q641-V645 WeakPolarHBondContact O-CB 3.49Å; Q641-V645 PolarHBondContact O-N 3.36Å; V645-Y647 VanDerWaalsContact C-N 3.28Å; V645-Y647 PolarHBondContact O-N 2.98Å; V645-F648 WeakPolarHBondContact O-CB 3.38Å; V645-F648 PolarHBondContact O-N 3.02Å; V645-F648 VanDerWaalsContact O-N 3.17Å; V645-L649 HydrophobicContact CG1-CD1 4.18Å; V645-L649 HydrophobicContact CG1-CG 4.35Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 3.26Å
646	G	98.5	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-34.2	175.9	0	0	0	0	0	113.3	A593 Y618 Q641 L649 C650	A593-G646 WeakPolarHBondContact O-CA 3.39Å; Y618-G646 VanDerWaalsContact CE2-O 3.27Å; Y618-G646 WeakPolarHBondContact CE2-O 3.44Å; Y618-G646 VanDerWaalsContact CZ-C 3.4Å; Y618-G646 VanDerWaalsContact OH-C 3.26Å; Y618-G646 VanDerWaalsContact OH-CA 3.3Å; Y618-G646 WeakPolarHBondContact OH-CA 3.32Å; Q641-G646 PolarHBondContact O-N 2.99Å; G646-L649 PolarHBondContact O-N 2.99Å; G646-C650 WeakPolarHBondContact O-CB 3.42Å; G646-C650 PolarHBondContact O-N 3.12Å; G646-C650 PolarHBondContact O-SG 2.95Å; G646-C650 VanDerWaalsContact O-SG 3.38Å
647	Y	98.7	Very high	97.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-46.7	172.8	170.4	-137.4	0	0	0	111.1	Y618 L644 V645 L649 A651 I667 Q669 L695 T696 L699 V710	Y618-Y647 HydrophobicContact CD1-CD2 4.36Å; Y618-Y647 HydrophobicContact CD1-CG 4.32Å; Y618-Y647 HydrophobicContact CD2-CD2 4.42Å; Y618-Y647 AromaticContact CG-CD2 3.93Å; Y618-Y647 HydrophobicContact CG-CD2 3.93Å; Y618-Y647 HydrophobicContact CG-CG 4.31Å; Y618-Y647 PolarHBondContact OH-N 2.98Å; L644-Y647 WeakPolarHBondContact O-CB 3.44Å; L644-Y647 PolarHBondContact O-N 3.45Å; V645-Y647 VanDerWaalsContact C-N 3.28Å; V645-Y647 PolarHBondContact O-N 2.98Å; Y647-L649 PolarHBondContact O-N 2.82Å; Y647-A651 HydrophobicContact CD2-CB 4.36Å; Y647-A651 HydrophobicContact CE2-CB 4.1Å; Y647-A651 VanDerWaalsContact O-CB 3.22Å; Y647-A651 WeakPolarHBondContact O-CB 3.32Å; Y647-A651 PolarHBondContact O-N 3.49Å; Y647-I667 HydrophobicContact CE2-CG2 3.99Å; Y647-Q669 HydrophobicContact CD1-CB 4.43Å; Y647-Q669 VanDerWaalsContact CD1-CD 3.47Å; Y647-Q669 HydrophobicContact CD1-CG 3.94Å; Y647-Q669 HydrophobicContact CD2-CB 4.3Å; Y647-Q669 HydrophobicContact CD2-CG 4.11Å; Y647-Q669 HydrophobicContact CE1-CB 4.03Å; Y647-Q669 HydrophobicContact CE1-CG 4.02Å; Y647-Q669 HydrophobicContact CE2-CB 3.9Å; Y647-Q669 HydrophobicContact CE2-CG 4.21Å; Y647-Q669 HydrophobicContact CG-CG 4Å; Y647-L695 HydrophobicContact CD1-CD2 3.62Å; Y647-L695 HydrophobicContact CD1-CG 4.33Å; Y647-L695 HydrophobicContact CE1-CB 4.31Å; Y647-L695 HydrophobicContact CE1-CD2 3.85Å; Y647-L695 HydrophobicContact CE1-CG 4.05Å; Y647-L695 HydrophobicContact CG-CD2 4.4Å; Y647-T696 PolarHBondContact OH-OG1 3.45Å; Y647-L699 HydrophobicContact CE1-CD1 4.5Å; Y647-V710 WeakPolarHBondContact OH-CG1 3.22Å
648	F	98.7	Very high	97.9	Very high	82 Å²	82	34.6 Å²	34.6	36%	0.36	15%	0.154	S	C	.	.	H	α-helix	trans	-56.6	-49.9	174.7	164.2	-104.9	0	0	0	112.3	L644 V645 A651 R652 L695	L644-F648 PolarHBondContact O-N 2.7Å; V645-F648 WeakPolarHBondContact O-CB 3.38Å; V645-F648 PolarHBondContact O-N 3.02Å; V645-F648 VanDerWaalsContact O-N 3.17Å; F648-A651 PolarHBondContact O-N 3.43Å; F648-R652 VanDerWaalsContact O-CB 3.31Å; F648-R652 WeakPolarHBondContact O-CB 3.46Å; F648-R652 PolarHBondContact O-N 3.24Å; F648-L695 HydrophobicContact CB-CD2 3.72Å; F648-L695 HydrophobicContact CD2-CD1 4.32Å
649	L	98.8	Very high	97.8	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-48.8	-178.3	-69.1	174.4	0	0	0	111.5	E596 V599 V645 G646 Y647 R652 E653	E596-L649 HydrophobicContact CB-CD1 4.35Å; E596-L649 HydrophobicContact CB-CD2 4.18Å; E596-L649 HydrophobicContact CG-CD2 4.19Å; V599-L649 HydrophobicContact CB-CB 4.43Å; V599-L649 HydrophobicContact CG1-CB 4.28Å; V599-L649 HydrophobicContact CG2-CB 4.13Å; V645-L649 HydrophobicContact CG1-CD1 4.18Å; V645-L649 HydrophobicContact CG1-CG 4.35Å; V645-L649 WeakPolarHBondContact O-CG 3.4Å; V645-L649 PolarHBondContact O-N 3.26Å; G646-L649 PolarHBondContact O-N 2.99Å; Y647-L649 PolarHBondContact O-N 2.82Å; L649-R652 PolarHBondContact O-N 3.37Å; L649-E653 PolarHBondContact O-N 3.42Å
650	C	98.8	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-46.8	178	-68.1	0	0	0	0	111.5	I539 L616 Y618 G646 R652 E653 F654	I539-C650 HydrophobicContact CG1-CB 4.32Å; L616-C650 HydrophobicContact CD1-CB 4.5Å; L616-C650 HydrophobicContact CD2-CB 4.14Å; Y618-C650 HydrophobicContact CD2-CB 3.97Å; Y618-C650 HydrophobicContact CE2-CB 4.21Å; G646-C650 WeakPolarHBondContact O-CB 3.42Å; G646-C650 PolarHBondContact O-N 3.12Å; G646-C650 PolarHBondContact O-SG 2.95Å; G646-C650 VanDerWaalsContact O-SG 3.38Å; C650-R652 VanDerWaalsContact C-N 3.29Å; C650-R652 PolarHBondContact O-N 3.32Å; C650-E653 PolarHBondContact O-N 3.2Å; C650-F654 HydrophobicContact CB-CD2 4.26Å; C650-F654 HydrophobicContact CB-CE2 4.47Å; C650-F654 WeakPolarHBondContact O-CB 3.47Å; C650-F654 WeakPolarHBondContact O-CD2 3.38Å; C650-F654 PolarHBondContact O-N 3.3Å
651	A	98.7	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-42.2	178.9	0	0	0	0	0	111.8	L616 Y647 F648 S655 I667 L699	L616-A651 HydrophobicContact CD2-CB 4.44Å; Y647-A651 HydrophobicContact CD2-CB 4.36Å; Y647-A651 HydrophobicContact CE2-CB 4.1Å; Y647-A651 VanDerWaalsContact O-CB 3.22Å; Y647-A651 WeakPolarHBondContact O-CB 3.32Å; Y647-A651 PolarHBondContact O-N 3.49Å; F648-A651 PolarHBondContact O-N 3.43Å; A651-S655 WeakPolarHBondContact O-CB 3.47Å; A651-S655 PolarHBondContact O-N 2.88Å; A651-S655 PolarHBondContact O-OG 2.97Å; A651-I667 HydrophobicContact CB-CD1 4.42Å; A651-I667 HydrophobicContact CB-CG2 4.23Å; A651-L699 HydrophobicContact CB-CD1 3.64Å
652	R	98.5	Very high	96.4	Very high	59 Å²	59	35.7 Å²	35.7	22%	0.223	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-46	177.4	-172.1	-172.7	74.7	-176.1	-1	112.8	E596 F648 L649 C650 S655 R656	E596-R652 IonicContact OE1-CZ 3.72Å; E596-R652 IonicContact OE1-NH1 3.67Å; E596-R652 PolarHBondContact OE1-NH1 3.12Å; E596-R652 IonicContact OE1-NH2 3.45Å; E596-R652 PolarHBondContact OE1-NH2 3.22Å; F648-R652 VanDerWaalsContact O-CB 3.31Å; F648-R652 WeakPolarHBondContact O-CB 3.46Å; F648-R652 PolarHBondContact O-N 3.24Å; L649-R652 PolarHBondContact O-N 3.37Å; C650-R652 VanDerWaalsContact C-N 3.29Å; C650-R652 PolarHBondContact O-N 3.32Å; R652-S655 PolarHBondContact O-OG 2.9Å; R652-R656 VanDerWaalsContact O-CG 3.32Å; R652-R656 WeakPolarHBondContact O-CG 3.47Å; R652-R656 PolarHBondContact O-N 2.81Å
653	E	98.6	Very high	95.8	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-76	-37.8	-176.7	-63.5	-44.9	137.4	0	0	113	V599 L600 L649 C650 R656 L657	V599-E653 HydrophobicContact CG1-CB 4.13Å; V599-E653 HydrophobicContact CG1-CG 3.8Å; L600-E653 VanDerWaalsContact CD2-CD 3.49Å; L600-E653 HydrophobicContact CD2-CG 4.12Å; L600-E653 VanDerWaalsContact CD2-OE2 3.31Å; L600-E653 WeakPolarHBondContact CD2-OE2 3.23Å; L649-E653 PolarHBondContact O-N 3.42Å; C650-E653 PolarHBondContact O-N 3.2Å; E653-R656 WeakPolarHBondContact O-CB 3.04Å; E653-R656 PolarHBondContact O-N 2.87Å; E653-R656 IonicContact OE1-CZ 2.77Å; E653-R656 IonicContact OE1-NH1 2.77Å; E653-R656 PolarHBondContact OE1-NH1 2.79Å; E653-R656 IonicContact OE2-CZ 2.69Å; E653-R656 IonicContact OE2-NH1 4Å; E653-R656 PolarHBondContact OE2-NH1 3.01Å; E653-L657 PolarHBondContact O-N 3.28Å
654	F	98.6	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-77.6	-30.8	178.5	-72.4	-69.2	0	0	0	112.6	V537 I539 L602 V606 V613 L616 C650 R656 L657 M658	V537-F654 HydrophobicContact CB-CE1 4.37Å; V537-F654 HydrophobicContact CB-CZ 4.37Å; V537-F654 HydrophobicContact CG1-CE1 4.1Å; V537-F654 HydrophobicContact CG1-CE2 3.99Å; V537-F654 HydrophobicContact CG1-CZ 3.64Å; V537-F654 HydrophobicContact CG2-CD1 4.21Å; V537-F654 HydrophobicContact CG2-CE1 3.79Å; V537-F654 HydrophobicContact CG2-CZ 4.21Å; I539-F654 HydrophobicContact CD1-CE2 4.31Å; L602-F654 HydrophobicContact CD2-CE2 4.19Å; L602-F654 HydrophobicContact CD2-CZ 4.12Å; L602-F654 HydrophobicContact CG-CZ 4.09Å; V606-F654 HydrophobicContact CB-CE1 4.16Å; V606-F654 HydrophobicContact CG1-CE1 4.16Å; V606-F654 HydrophobicContact CG2-CE1 4.23Å; V606-F654 HydrophobicContact CG2-CZ 4.3Å; V613-F654 HydrophobicContact CB-CD1 4.39Å; V613-F654 HydrophobicContact CG1-CD1 4.02Å; V613-F654 HydrophobicContact CG2-CD1 3.93Å; V613-F654 HydrophobicContact CG2-CE1 4.2Å; L616-F654 HydrophobicContact CB-CB 4.45Å; L616-F654 HydrophobicContact CD1-CD2 3.66Å; L616-F654 HydrophobicContact CD1-CE2 4.08Å; L616-F654 HydrophobicContact CD1-CG 4.27Å; L616-F654 HydrophobicContact CD2-CB 4.04Å; L616-F654 HydrophobicContact CD2-CD2 3.97Å; L616-F654 HydrophobicContact CD2-CG 4.37Å; L616-F654 HydrophobicContact CG-CD2 4.36Å; C650-F654 HydrophobicContact CB-CD2 4.26Å; C650-F654 HydrophobicContact CB-CE2 4.47Å; C650-F654 WeakPolarHBondContact O-CB 3.47Å; C650-F654 WeakPolarHBondContact O-CD2 3.38Å; C650-F654 PolarHBondContact O-N 3.3Å; F654-R656 VanDerWaalsContact C-N 3.28Å; F654-R656 PolarHBondContact O-N 3.18Å; F654-L657 HydrophobicContact CD1-CD1 4.1Å; F654-L657 HydrophobicContact CE1-CD1 4.41Å; F654-L657 PolarHBondContact O-N 2.86Å; F654-M658 WeakPolarHBondContact O-CG 3.34Å; F654-M658 PolarHBondContact O-N 2.94Å
655	S	98.3	Very high	94.9	Very high	11 Å²	11	40 Å²	40	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-33.7	171	69.5	0	0	0	0	111.9	A651 R652 L657 M658 I659	A651-S655 WeakPolarHBondContact O-CB 3.47Å; A651-S655 PolarHBondContact O-N 2.88Å; A651-S655 PolarHBondContact O-OG 2.97Å; R652-S655 PolarHBondContact O-OG 2.9Å; S655-L657 VanDerWaalsContact C-N 3.31Å; S655-L657 PolarHBondContact O-N 3.44Å; S655-M658 PolarHBondContact O-N 2.87Å; S655-I659 WeakPolarHBondContact O-CB 3.23Å; S655-I659 WeakPolarHBondContact O-CG1 3.22Å; S655-I659 PolarHBondContact O-N 2.83Å
656	R	98.2	Very high	94.9	Very high	131 Å²	131	38.9 Å²	38.9	49%	0.494	19%	0.19	S	C	.	.	H	α-helix	trans	-58.8	-41	171.9	-77.6	169.9	171.3	169	-1.3	112.4	R652 E653 F654 R660	R652-R656 VanDerWaalsContact O-CG 3.32Å; R652-R656 WeakPolarHBondContact O-CG 3.47Å; R652-R656 PolarHBondContact O-N 2.81Å; E653-R656 WeakPolarHBondContact O-CB 3.04Å; E653-R656 PolarHBondContact O-N 2.87Å; E653-R656 IonicContact OE1-CZ 2.77Å; E653-R656 IonicContact OE1-NH1 2.77Å; E653-R656 PolarHBondContact OE1-NH1 2.79Å; E653-R656 IonicContact OE2-CZ 2.69Å; E653-R656 IonicContact OE2-NH1 4Å; E653-R656 PolarHBondContact OE2-NH1 3.01Å; F654-R656 VanDerWaalsContact C-N 3.28Å; F654-R656 PolarHBondContact O-N 3.18Å; R656-R660 WeakPolarHBondContact O-CB 3.33Å; R656-R660 PolarHBondContact O-N 3.02Å
657	L	95.8	Very high	94.9	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-46.4	175.7	-62.9	179.8	0	0	0	111	D607 V613 E653 F654 S655 I659 R660 D661	D607-L657 HydrophobicContact CB-CD1 4.23Å; D607-L657 HydrophobicContact CB-CD2 4.4Å; V613-L657 HydrophobicContact CG2-CD1 4.21Å; E653-L657 PolarHBondContact O-N 3.28Å; F654-L657 HydrophobicContact CD1-CD1 4.1Å; F654-L657 HydrophobicContact CE1-CD1 4.41Å; F654-L657 PolarHBondContact O-N 2.86Å; S655-L657 VanDerWaalsContact C-N 3.31Å; S655-L657 PolarHBondContact O-N 3.44Å; L657-I659 VanDerWaalsContact C-N 3.34Å; L657-I659 PolarHBondContact O-N 2.89Å; L657-R660 WeakPolarHBondContact O-CB 3.47Å; L657-R660 PolarHBondContact O-N 3.46Å; L657-D661 WeakPolarHBondContact O-CB 3.34Å; L657-D661 VanDerWaalsContact O-CG 3.3Å; L657-D661 PolarHBondContact O-N 3.14Å
658	M	95.9	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-46.4	176.3	-67.9	168	-179.8	0	0	112	V613 L616 F654 S655 D661 G662 I663 I667 I708	V613-M658 HydrophobicContact CG1-CE 3.9Å; V613-M658 VanDerWaalsContact O-CG 3.31Å; V613-M658 WeakPolarHBondContact O-CG 3.15Å; L616-M658 HydrophobicContact CB-CE 4.37Å; F654-M658 WeakPolarHBondContact O-CG 3.34Å; F654-M658 PolarHBondContact O-N 2.94Å; S655-M658 PolarHBondContact O-N 2.87Å; M658-D661 PolarHBondContact O-N 2.96Å; M658-G662 PolarHBondContact O-N 3.03Å; M658-I663 HydrophobicContact CB-CB 4.45Å; M658-I663 PolarHBondContact O-N 3Å; M658-I667 HydrophobicContact CE-CG1 4.28Å; M658-I667 HydrophobicContact SD-CD1 4.46Å; M658-I667 HydrophobicContact SD-CG1 4.21Å; M658-I708 HydrophobicContact CB-CD1 3.59Å; M658-I708 HydrophobicContact CB-CG1 4.2Å; M658-I708 HydrophobicContact SD-CD1 4.35Å; M658-I708 HydrophobicContact SD-CG1 4.46Å; M658-I708 HydrophobicContact SD-CG2 4.12Å
659	I	94.9	Very high	94.9	Very high	62 Å²	62	35 Å²	35	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-46.5	177.3	-67.6	166.7	0	0	0	110.8	S655 L657 D661 G662 L703 Y706 I708	S655-I659 WeakPolarHBondContact O-CB 3.23Å; S655-I659 WeakPolarHBondContact O-CG1 3.22Å; S655-I659 PolarHBondContact O-N 2.83Å; L657-I659 VanDerWaalsContact C-N 3.34Å; L657-I659 PolarHBondContact O-N 2.89Å; I659-D661 PolarHBondContact O-N 3.13Å; I659-G662 PolarHBondContact O-N 2.98Å; I659-L703 HydrophobicContact CD1-CD2 3.84Å; I659-Y706 HydrophobicContact CB-CD1 4.44Å; I659-Y706 HydrophobicContact CD1-CD2 3.9Å; I659-Y706 HydrophobicContact CD1-CE2 3.91Å; I659-Y706 HydrophobicContact CD1-CG 4.26Å; I659-Y706 HydrophobicContact CG1-CD1 3.98Å; I659-Y706 HydrophobicContact CG1-CD2 3.9Å; I659-Y706 HydrophobicContact CG1-CE1 4.35Å; I659-Y706 HydrophobicContact CG1-CE2 4.31Å; I659-Y706 HydrophobicContact CG1-CG 3.76Å; I659-Y706 HydrophobicContact CG2-CD1 3.87Å; I659-Y706 HydrophobicContact CG2-CE1 3.76Å; I659-I708 HydrophobicContact CG1-CD1 3.8Å
660	R	94.1	Very high	94.9	Very high	129 Å²	129	34.9 Å²	34.9	49%	0.487	17%	0.172	S	C	.	.	H	α-helix	trans	-56.4	-39.7	178.4	-177.5	-161.5	69.7	-175.1	-2.6	111.5	D607 R656 L657	D607-R660 IonicContact OD1-CZ 3.75Å; D607-R660 IonicContact OD1-NH1 3Å; D607-R660 PolarHBondContact OD1-NH1 3.42Å; D607-R660 IonicContact OD1-NH2 2.68Å; D607-R660 PolarHBondContact OD1-NH2 3.01Å; D607-R660 IonicContact OD2-CZ 2.71Å; D607-R660 IonicContact OD2-NH1 3.94Å; D607-R660 PolarHBondContact OD2-NH1 2.68Å; D607-R660 IonicContact OD2-NH2 3.62Å; R656-R660 WeakPolarHBondContact O-CB 3.33Å; R656-R660 PolarHBondContact O-N 3.02Å; L657-R660 WeakPolarHBondContact O-CB 3.47Å; L657-R660 PolarHBondContact O-N 3.46Å
661	D	84	Confident	94.7	Very high	61 Å²	61	35.1 Å²	35.1	33%	0.326	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.3	-173.7	-59.8	-20.8	0	0	0	113.5	L657 M658 I659 I663	L657-D661 WeakPolarHBondContact O-CB 3.34Å; L657-D661 VanDerWaalsContact O-CG 3.3Å; L657-D661 PolarHBondContact O-N 3.14Å; M658-D661 PolarHBondContact O-N 2.96Å; I659-D661 PolarHBondContact O-N 3.13Å; D661-I663 VanDerWaalsContact C-N 3.25Å; D661-I663 HydrophobicContact CB-CD1 3.73Å; D661-I663 HydrophobicContact CB-CG1 3.84Å; D661-I663 PolarHBondContact O-N 3.25Å
662	G	84.4	Confident	94.5	Very high	66 Å²	66	35.7 Å²	35.7	68%	0.68	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	25.3	-178.6	0	0	0	0	0	114	M658 I659	M658-G662 PolarHBondContact O-N 3.03Å; I659-G662 PolarHBondContact O-N 2.98Å
663	I	83.7	Confident	94.2	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.097	17%	0.174	C	C	.	.			trans	-86	122.4	-177	-60.5	171.2	0	0	0	109.1	R612 D614 M658 D661 G665 I708	R612-I663 HydrophobicContact CB-CD1 3.83Å; D614-I663 HydrophobicContact CB-CG2 4.46Å; D614-I663 WeakPolarHBondContact OD1-CG2 3.42Å; M658-I663 HydrophobicContact CB-CB 4.45Å; M658-I663 PolarHBondContact O-N 3Å; D661-I663 VanDerWaalsContact C-N 3.25Å; D661-I663 HydrophobicContact CB-CD1 3.73Å; D661-I663 HydrophobicContact CB-CG1 3.84Å; D661-I663 PolarHBondContact O-N 3.25Å; I663-G665 PolarHBondContact O-N 3.16Å; I663-I708 WeakPolarHBondContact O-CG1 3.34Å
664	Q	86.7	Confident	93.8	Very high	134 Å²	134	34.5 Å²	34.5	63%	0.626	18%	0.175	S	C	*	.			trans	-71.2	69.7	167	-65.7	-170.1	44.5	0	0	109.9	R666 G707	Q664-R666 PolarHBondContact O-NH1 3.27Å; Q664-G707 WeakPolarHBondContact CA-O 3.46Å; Q664-G707 WeakPolarHBondContact CB-O 3.49Å
665	G	91.6	Very high	93.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	18%	0.175	C	C	.	.			trans	-75.7	178	-169.8	0	0	0	0	0	114.4	D614 I663 I708 T709	D614-G665 CarbonylContact O-C 3.57Å; D614-G665 VanDerWaalsContact O-CA 3.27Å; D614-G665 WeakPolarHBondContact O-CA 3.21Å; I663-G665 PolarHBondContact O-N 3.16Å; G665-I708 VanDerWaalsContact O-CA 3.32Å; G665-I708 WeakPolarHBondContact O-CA 3.34Å; G665-T709 PolarHBondContact O-N 3.07Å
666	R	97.6	Very high	92.7	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128	179.2	-56.8	-66.4	179.4	-99.1	-1.3	109.6	D614 L615 L616 Q664 G707 T709	D614-R666 PolarHBondContact O-N 3.16Å; L615-R666 CarbonylContact C-O 3.59Å; L615-R666 WeakPolarHBondContact CA-O 3.4Å; L615-R666 HydrophobicContact CD1-CB 3.69Å; L616-R666 PolarHBondContact N-O 3.42Å; Q664-R666 PolarHBondContact O-NH1 3.27Å; R666-G707 PolarHBondContact NH1-O 3.2Å; R666-T709 WeakPolarHBondContact CD-OG1 3.42Å
667	I	98.7	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.9	174.1	-59.2	177.8	0	0	0	108.5	L616 Y647 A651 M658 L703 I708 T709 V710 H711	L616-I667 HydrophobicContact CB-CG1 4.34Å; L616-I667 HydrophobicContact CD2-CG2 4.08Å; Y647-I667 HydrophobicContact CE2-CG2 3.99Å; A651-I667 HydrophobicContact CB-CD1 4.42Å; A651-I667 HydrophobicContact CB-CG2 4.23Å; M658-I667 HydrophobicContact CE-CG1 4.28Å; M658-I667 HydrophobicContact SD-CD1 4.46Å; M658-I667 HydrophobicContact SD-CG1 4.21Å; I667-L703 HydrophobicContact CD1-CD1 3.77Å; I667-I708 HydrophobicContact CD1-CG2 4.28Å; I667-I708 HydrophobicContact CG1-CG2 4.34Å; I667-T709 PolarHBondContact N-O 3.07Å; I667-V710 HydrophobicContact CB-CB 4.49Å; I667-V710 HydrophobicContact CB-CG1 4.05Å; I667-V710 HydrophobicContact CB-CG2 4.21Å; I667-V710 HydrophobicContact CD1-CG2 4.46Å; I667-V710 HydrophobicContact CG2-CG1 4.07Å; I667-V710 CarbonylContact O-C 3.5Å; I667-V710 VanDerWaalsContact O-CA 3.3Å; I667-V710 WeakPolarHBondContact O-CA 3.48Å; I667-H711 PolarHBondContact O-N 3.44Å
668	I	98.7	Very high	91.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.2	-174.5	-56.7	-179.9	0	0	0	109.9	L615 L616 V617 Y618 H711 L713 L765 A769	L615-I668 HydrophobicContact CD1-CD1 3.91Å; L615-I668 HydrophobicContact CD1-CG1 4.13Å; L616-I668 PolarHBondContact O-N 3.11Å; V617-I668 CarbonylContact C-O 3.47Å; V617-I668 WeakPolarHBondContact CA-O 3.44Å; Y618-I668 PolarHBondContact N-O 3.31Å; I668-H711 WeakPolarHBondContact CA-O 3.29Å; I668-H711 HydrophobicContact CG1-CB 4.42Å; I668-L713 HydrophobicContact CG2-CD1 4.09Å; I668-L713 HydrophobicContact CG2-CG 3.85Å; I668-L765 HydrophobicContact CB-CD1 4.13Å; I668-L765 HydrophobicContact CD1-CD1 3.7Å; I668-L765 HydrophobicContact CG1-CD1 4.48Å; I668-L765 HydrophobicContact CG2-CD1 3.9Å; I668-A769 HydrophobicContact CD1-CB 4.36Å
669	Q	98.6	Very high	90.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.8	173.5	-166.2	-161.3	32.8	0	0	111	Y618 N643 Y647 N671 H711 S712 L713	Y618-Q669 HydrophobicContact CD1-CG 4.44Å; N643-Q669 PolarHBondContact O-NE2 3.08Å; Y647-Q669 HydrophobicContact CD1-CB 4.43Å; Y647-Q669 VanDerWaalsContact CD1-CD 3.47Å; Y647-Q669 HydrophobicContact CD1-CG 3.94Å; Y647-Q669 HydrophobicContact CD2-CB 4.3Å; Y647-Q669 HydrophobicContact CD2-CG 4.11Å; Y647-Q669 HydrophobicContact CE1-CB 4.03Å; Y647-Q669 HydrophobicContact CE1-CG 4.02Å; Y647-Q669 HydrophobicContact CE2-CB 3.9Å; Y647-Q669 HydrophobicContact CE2-CG 4.21Å; Y647-Q669 HydrophobicContact CG-CG 4Å; Q669-N671 PolarHBondContact O-N 3.44Å; Q669-N671 VanDerWaalsContact O-N 3.16Å; Q669-N671 PolarHBondContact OE1-ND2 2.85Å; Q669-H711 PolarHBondContact N-O 3.09Å; Q669-S712 CarbonylContact O-C 3.42Å; Q669-S712 WeakPolarHBondContact O-CA 3.41Å; Q669-L713 PolarHBondContact O-N 2.97Å
670	I	97.9	Very high	90	Very high	10 Å²	10	43 Å²	43	5%	0.051	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	102.2	164.8	-52.2	-57	0	0	0	109	L545 L549 V617 Y618 K689 L713 L715 V761	L545-I670 HydrophobicContact CD2-CG2 3.86Å; L549-I670 HydrophobicContact CD1-CD1 4.03Å; L549-I670 HydrophobicContact CD1-CG1 4.24Å; V617-I670 HydrophobicContact CG1-CD1 4.22Å; V617-I670 HydrophobicContact CG1-CG1 4.13Å; Y618-I670 PolarHBondContact O-N 3.3Å; I670-K689 PolarHBondContact O-NZ 3.11Å; I670-L713 HydrophobicContact CD1-CB 4.44Å; I670-L713 HydrophobicContact CD1-CD1 4.03Å; I670-L715 HydrophobicContact CG2-CD1 3.45Å; I670-L715 VanDerWaalsContact CG2-CD1 3.45Å; I670-L715 HydrophobicContact CG2-CG 4Å; I670-V761 HydrophobicContact CD1-CG1 4.1Å
671	N	96.2	Very high	89.6	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-161.6	-179.2	-157.5	-43.5	0	0	0	109	Q669 K689 L713 M714 L715	Q669-N671 PolarHBondContact O-N 3.44Å; Q669-N671 VanDerWaalsContact O-N 3.16Å; Q669-N671 PolarHBondContact OE1-ND2 2.85Å; N671-K689 PolarHBondContact ND2-O 2.85Å; N671-K689 WeakPolarHBondContact OD1-CB 3.39Å; N671-K689 VanDerWaalsContact OD1-CD 3.26Å; N671-K689 WeakPolarHBondContact OD1-CD 3.24Å; N671-K689 PolarHBondContact OD1-O 3Å; N671-L713 CarbonylContact C-O 3.58Å; N671-L713 VanDerWaalsContact CA-O 3.26Å; N671-L713 WeakPolarHBondContact CA-O 3.43Å; N671-L713 PolarHBondContact N-O 3.44Å; N671-L713 VanDerWaalsContact O-O 3.11Å; N671-M714 HydrophobicContact CB-CE 4.45Å; N671-M714 HydrophobicContact CB-SD 3.55Å; N671-M714 VanDerWaalsContact CB-SD 3.55Å; N671-M714 VanDerWaalsContact CG-SD 3.57Å; N671-L715 PolarHBondContact O-N 2.91Å
672	S	94.3	Very high	89.7	Confident	12 Å²	12	36.8 Å²	36.8	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.5	-172.8	176.4	0	0	0	0	109.1	S674 G675 Y685 M714	S672-S674 PolarHBondContact O-N 3.3Å; S672-S674 PolarHBondContact OG-N 3.41Å; S672-S674 PolarHBondContact OG-OG 2.74Å; S672-G675 PolarHBondContact O-N 3.33Å; S672-Y685 VanDerWaalsContact CB-OH 3.24Å; S672-Y685 WeakPolarHBondContact CB-OH 3.27Å; S672-M714 WeakPolarHBondContact O-CE 3.47Å
673	K	91	Very high	90	Very high	36 Å²	36	35.3 Å²	35.3	16%	0.157	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-46.6	-25.8	163.9	66.8	169	-174.2	166.6	0	113.4	G675 K676 V677 L715 N717 T784 V788	K673-G675 PolarHBondContact O-N 2.95Å; K673-K676 PolarHBondContact O-N 3.39Å; K673-V677 PolarHBondContact O-N 2.93Å; K673-L715 PolarHBondContact N-O 3.36Å; K673-N717 WeakPolarHBondContact CE-OD1 3.26Å; K673-N717 PolarHBondContact NZ-OD1 3.42Å; K673-T784 HydrophobicContact CB-CG2 4Å; K673-V788 HydrophobicContact CB-CG2 3.84Å
674	S	90.8	Very high	90.4	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.2	-10.9	176.4	-52.2	0	0	0	0	114.6	S672 V677 F690	S672-S674 PolarHBondContact O-N 3.3Å; S672-S674 PolarHBondContact OG-N 3.41Å; S672-S674 PolarHBondContact OG-OG 2.74Å; S674-V677 CarbonylContact C-O 3.5Å; S674-V677 VanDerWaalsContact CA-O 3.25Å; S674-V677 WeakPolarHBondContact CA-O 3.36Å; S674-F690 VanDerWaalsContact O-CD2 3.24Å; S674-F690 WeakPolarHBondContact O-CD2 2.92Å; S674-F690 VanDerWaalsContact O-CE2 3.22Å; S674-F690 WeakPolarHBondContact O-CE2 3.49Å
675	G	90.1	Very high	90.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-90.2	-0.1	169.4	0	0	0	0	0	114	S672 K673	S672-G675 PolarHBondContact O-N 3.33Å; K673-G675 PolarHBondContact O-N 2.95Å
676	K	84.2	Confident	90.8	Very high	85 Å²	85	30 Å²	30	37%	0.37	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-34.1	169.3	-67.7	-63.5	-173.2	178.3	0	112.3	K673 F690 M714 V788	K673-K676 PolarHBondContact O-N 3.39Å; K676-F690 WeakPolarHBondContact O-CZ 3.41Å; K676-M714 HydrophobicContact CD-CE 4.36Å; K676-M714 HydrophobicContact CG-CE 3.76Å; K676-V788 HydrophobicContact CB-CG1 4.15Å
677	V	83.5	Confident	90.7	Very high	84 Å²	84	30.9 Å²	30.9	51%	0.509	18%	0.18	S	C	.	.	S	Bend	trans	-131	132.1	-178.3	-175.8	0	0	0	0	109.2	K673 S674 S679 V788	K673-V677 PolarHBondContact O-N 2.93Å; S674-V677 CarbonylContact C-O 3.5Å; S674-V677 VanDerWaalsContact CA-O 3.25Å; S674-V677 WeakPolarHBondContact CA-O 3.36Å; V677-S679 PolarHBondContact O-N 3.29Å; V677-V788 HydrophobicContact CG2-CG1 4.4Å; V677-V788 HydrophobicContact CG2-CG2 4.32Å
678	G	81.6	Confident	90.6	Very high	60 Å²	60	30.9 Å²	30.9	62%	0.619	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-57.7	136.3	177.9	0	0	0	0	0	112.3
679	S	81.6	Confident	90.5	Very high	32 Å²	32	31.2 Å²	31.2	22%	0.224	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-103.9	118	179.8	-175	0	0	0	0	110.5	V677 H681 N682 S686	V677-S679 PolarHBondContact O-N 3.29Å; S679-H681 PolarHBondContact O-N 3.4Å; S679-N682 PolarHBondContact O-N 3.04Å; S679-N682 PolarHBondContact OG-ND2 3.03Å; S679-S686 WeakPolarHBondContact CB-OG 3.29Å; S679-S686 PolarHBondContact N-OG 3.14Å
680	K	80.4	Confident	90.4	Very high	138 Å²	138	35.8 Å²	35.8	60%	0.6	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	129.5	-178	-179.7	175.6	-177.7	-176.8	0	111.3	N682 K734	K680-N682 VanDerWaalsContact C-N 3.26Å; K680-N682 PolarHBondContact O-N 3.2Å; K680-K734 PolarHBondContact O-NZ 2.95Å
681	H	85.4	Confident	90.4	Very high	55 Å²	55	36.6 Å²	36.6	26%	0.255	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	5.3	-176	-55.8	176	0	0	0	115.6	A625 A626 F627 F631 S679	A625-H681 CarbonylContact C-O 3.05Å; A625-H681 VanDerWaalsContact CA-O 3.22Å; A625-H681 WeakPolarHBondContact CA-O 3.47Å; A626-H681 PolarHBondContact N-O 2.81Å; A626-H681 CarbonylContact O-C 3.55Å; A626-H681 WeakPolarHBondContact O-CA 3.49Å; A626-H681 VanDerWaalsContact O-CB 3.26Å; A626-H681 WeakPolarHBondContact O-CB 3.2Å; F627-H681 AromaticContact CD2-CD2 3.96Å; F627-H681 AromaticContact CD2-NE2 3.7Å; F631-H681 WeakPolarHBondContact CE2-O 3.44Å; S679-H681 PolarHBondContact O-N 3.4Å
682	N	87.3	Confident	90.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	21%	0.211	C	C	.	.			trans	-117.3	48.1	-176.9	-68.1	-48.7	0	0	0	110.4	K624 A625 S679 K680 G684 Y685 S686	K624-N682 PolarHBondContact O-OD1 2.71Å; A625-N682 WeakPolarHBondContact CA-OD1 3.47Å; A625-N682 VanDerWaalsContact CB-OD1 3.27Å; A625-N682 WeakPolarHBondContact CB-OD1 2.95Å; S679-N682 PolarHBondContact O-N 3.04Å; S679-N682 PolarHBondContact OG-ND2 3.03Å; K680-N682 VanDerWaalsContact C-N 3.26Å; K680-N682 PolarHBondContact O-N 3.2Å; N682-G684 PolarHBondContact O-N 2.75Å; N682-Y685 PolarHBondContact O-N 3.48Å; N682-S686 WeakPolarHBondContact O-CB 3.16Å; N682-S686 PolarHBondContact O-N 3.02Å
683	S	90.6	Very high	90.6	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-57.5	-51.3	-170	52.2	0	0	0	0	112.8	F631 Y685 S686 A687	F631-S683 VanDerWaalsContact CD2-OG 3.25Å; F631-S683 WeakPolarHBondContact CD2-OG 3.35Å; F631-S683 WeakPolarHBondContact CE2-OG 3.43Å; S683-Y685 PolarHBondContact O-N 3.1Å; S683-S686 PolarHBondContact O-N 3.45Å; S683-A687 WeakPolarHBondContact O-CB 3.36Å; S683-A687 PolarHBondContact O-N 2.86Å
684	G	92	Very high	90.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-42	178.6	0	0	0	0	0	113.3	N682 A688	N682-G684 PolarHBondContact O-N 2.75Å; G684-A688 WeakPolarHBondContact O-CB 3.32Å; G684-A688 PolarHBondContact O-N 3.11Å
685	Y	93	Very high	91.3	Very high	30 Å²	30	37.9 Å²	37.9	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-47.8	176	-178.9	-103.2	0	0	0	112.1	I622 A623 S672 N682 S683 A688 K689	I622-Y685 VanDerWaalsContact O-CD2 3.23Å; I622-Y685 WeakPolarHBondContact O-CD2 3.45Å; A623-Y685 HydrophobicContact CB-CD2 3.86Å; A623-Y685 HydrophobicContact CB-CE2 4.19Å; A623-Y685 HydrophobicContact CB-CG 4.17Å; S672-Y685 VanDerWaalsContact CB-OH 3.24Å; S672-Y685 WeakPolarHBondContact CB-OH 3.27Å; N682-Y685 PolarHBondContact O-N 3.48Å; S683-Y685 PolarHBondContact O-N 3.1Å; Y685-A688 PolarHBondContact O-N 3.46Å; Y685-K689 HydrophobicContact CD1-CG 4.2Å; Y685-K689 HydrophobicContact CD2-CG 4.22Å; Y685-K689 HydrophobicContact CE1-CG 3.9Å; Y685-K689 HydrophobicContact CE2-CD 4.2Å; Y685-K689 HydrophobicContact CE2-CG 3.94Å; Y685-K689 HydrophobicContact CG-CG 4.37Å; Y685-K689 WeakPolarHBondContact O-CB 3.24Å; Y685-K689 VanDerWaalsContact O-CG 3.26Å; Y685-K689 WeakPolarHBondContact O-CG 3.49Å; Y685-K689 PolarHBondContact O-N 3.36Å; Y685-K689 WeakPolarHBondContact OH-CE 3.26Å
686	S	93.7	Very high	91.7	Very high	11 Å²	11	37.9 Å²	37.9	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-44.8	176.6	-86.8	0	0	0	0	111.8	S679 N682 S683 A688 K689 F690	S679-S686 WeakPolarHBondContact CB-OG 3.29Å; S679-S686 PolarHBondContact N-OG 3.14Å; N682-S686 WeakPolarHBondContact O-CB 3.16Å; N682-S686 PolarHBondContact O-N 3.02Å; S683-S686 PolarHBondContact O-N 3.45Å; S686-A688 VanDerWaalsContact C-N 3.35Å; S686-A688 PolarHBondContact O-N 3.16Å; S686-K689 PolarHBondContact O-N 3.45Å; S686-F690 WeakPolarHBondContact O-CB 3.23Å; S686-F690 WeakPolarHBondContact O-CD2 3.34Å; S686-F690 PolarHBondContact O-N 2.93Å
687	A	94.9	Very high	92.3	Very high	42 Å²	42	38.5 Å²	38.5	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-57.4	-48	176.4	0	0	0	0	0	111.4	F636 L640 S683 K689 G691	F636-A687 HydrophobicContact CE2-CB 4.14Å; F636-A687 HydrophobicContact CZ-CB 4.28Å; L640-A687 HydrophobicContact CD2-CB 4.35Å; S683-A687 WeakPolarHBondContact O-CB 3.36Å; S683-A687 PolarHBondContact O-N 2.86Å; A687-K689 PolarHBondContact O-N 2.71Å; A687-G691 PolarHBondContact O-N 3.18Å
688	A	97.2	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-42.1	178.4	0	0	0	0	0	112.9	L640 N643 L644 G684 Y685 S686 G691 G692	L640-A688 HydrophobicContact CD2-CB 3.94Å; N643-A688 HydrophobicContact CB-CB 3.62Å; L644-A688 HydrophobicContact CB-CB 4.27Å; G684-A688 WeakPolarHBondContact O-CB 3.32Å; G684-A688 PolarHBondContact O-N 3.11Å; Y685-A688 PolarHBondContact O-N 3.46Å; S686-A688 VanDerWaalsContact C-N 3.35Å; S686-A688 PolarHBondContact O-N 3.16Å; A688-G691 PolarHBondContact O-N 3.21Å; A688-G692 PolarHBondContact O-N 3.2Å
689	K	96.9	Very high	93.8	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-70.6	-35.9	-178.7	-68.8	-62.3	177.7	-172.7	0	112.6	I670 N671 Y685 S686 A687 G692 V693	I670-K689 PolarHBondContact O-NZ 3.11Å; N671-K689 PolarHBondContact ND2-O 2.85Å; N671-K689 WeakPolarHBondContact OD1-CB 3.39Å; N671-K689 VanDerWaalsContact OD1-CD 3.26Å; N671-K689 WeakPolarHBondContact OD1-CD 3.24Å; N671-K689 PolarHBondContact OD1-O 3Å; Y685-K689 HydrophobicContact CD1-CG 4.2Å; Y685-K689 HydrophobicContact CD2-CG 4.22Å; Y685-K689 HydrophobicContact CE1-CG 3.9Å; Y685-K689 HydrophobicContact CE2-CD 4.2Å; Y685-K689 HydrophobicContact CE2-CG 3.94Å; Y685-K689 HydrophobicContact CG-CG 4.37Å; Y685-K689 WeakPolarHBondContact O-CB 3.24Å; Y685-K689 VanDerWaalsContact O-CG 3.26Å; Y685-K689 WeakPolarHBondContact O-CG 3.49Å; Y685-K689 PolarHBondContact O-N 3.36Å; Y685-K689 WeakPolarHBondContact OH-CE 3.26Å; S686-K689 PolarHBondContact O-N 3.45Å; A687-K689 PolarHBondContact O-N 2.71Å; K689-G692 PolarHBondContact O-N 3.28Å; K689-V693 PolarHBondContact O-N 3.08Å
690	F	96.4	Very high	94.6	Very high	96 Å²	96	33.9 Å²	33.9	42%	0.421	19%	0.193	S	C	.	.	H	α-helix	trans	-65.4	-43.7	168.3	-92.4	-97.8	0	0	0	111.6	S674 K676 S686 G692 V693 G694	S674-F690 VanDerWaalsContact O-CD2 3.24Å; S674-F690 WeakPolarHBondContact O-CD2 2.92Å; S674-F690 VanDerWaalsContact O-CE2 3.22Å; S674-F690 WeakPolarHBondContact O-CE2 3.49Å; K676-F690 WeakPolarHBondContact O-CZ 3.41Å; S686-F690 WeakPolarHBondContact O-CB 3.23Å; S686-F690 WeakPolarHBondContact O-CD2 3.34Å; S686-F690 PolarHBondContact O-N 2.93Å; F690-G692 PolarHBondContact O-N 3.32Å; F690-V693 WeakPolarHBondContact O-CB 3.3Å; F690-V693 PolarHBondContact O-N 3.36Å; F690-V693 VanDerWaalsContact O-N 3.14Å; F690-G694 PolarHBondContact O-N 3.22Å
691	G	97.5	Very high	95.4	Very high	26 Å²	26	34 Å²	34	27%	0.268	20%	0.2	S	C	.	.	H	α-helix	trans	-57.2	-39.4	173.5	0	0	0	0	0	112.3	A687 A688 V693 G694 L695	A687-G691 PolarHBondContact O-N 3.18Å; A688-G691 PolarHBondContact O-N 3.21Å; G691-V693 VanDerWaalsContact C-N 3.32Å; G691-V693 PolarHBondContact O-N 3.21Å; G691-G694 PolarHBondContact O-N 3.08Å; G691-L695 WeakPolarHBondContact O-CB 3.44Å; G691-L695 PolarHBondContact O-N 2.9Å
692	G	97.9	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-37.5	176.1	0	0	0	0	0	113.2	A688 K689 F690 L695 T696	A688-G692 PolarHBondContact O-N 3.2Å; K689-G692 PolarHBondContact O-N 3.28Å; F690-G692 PolarHBondContact O-N 3.32Å; G692-L695 PolarHBondContact O-N 3.49Å; G692-T696 WeakPolarHBondContact O-CB 3.33Å; G692-T696 PolarHBondContact O-N 3.14Å; G692-T696 PolarHBondContact O-OG1 2.98Å
693	V	96.8	Very high	96.5	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-47.4	175	169.5	0	0	0	0	111.2	K689 F690 G691 L695 T696 Q697 M714 S780	K689-V693 PolarHBondContact O-N 3.08Å; F690-V693 WeakPolarHBondContact O-CB 3.3Å; F690-V693 PolarHBondContact O-N 3.36Å; F690-V693 VanDerWaalsContact O-N 3.14Å; G691-V693 VanDerWaalsContact C-N 3.32Å; G691-V693 PolarHBondContact O-N 3.21Å; V693-L695 VanDerWaalsContact C-N 3.35Å; V693-T696 PolarHBondContact O-N 3.38Å; V693-Q697 PolarHBondContact O-N 3.35Å; V693-M714 HydrophobicContact CG2-CE 3.44Å; V693-M714 VanDerWaalsContact CG2-CE 3.44Å; V693-M714 HydrophobicContact CG2-SD 3.87Å; V693-S780 WeakPolarHBondContact CG1-OG 3.23Å
694	G	97.2	Very high	96.8	Very high	40 Å²	40	37.4 Å²	37.4	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-41.7	176.8	0	0	0	0	0	112.2	F690 G691 Q697 S698	F690-G694 PolarHBondContact O-N 3.22Å; G691-G694 PolarHBondContact O-N 3.08Å; G694-Q697 PolarHBondContact O-N 3.34Å; G694-S698 PolarHBondContact O-N 3.14Å
695	L	98.3	Very high	96.9	Very high	33 Å²	33	44.7 Å²	44.7	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-42.2	177.7	-177.7	60.2	0	0	0	111.9	L644 Y647 F648 G691 G692 V693 Q697 S698 L699	L644-L695 HydrophobicContact CD1-CB 4.34Å; L644-L695 HydrophobicContact CD1-CD2 3.93Å; Y647-L695 HydrophobicContact CD1-CD2 3.62Å; Y647-L695 HydrophobicContact CD1-CG 4.33Å; Y647-L695 HydrophobicContact CE1-CB 4.31Å; Y647-L695 HydrophobicContact CE1-CD2 3.85Å; Y647-L695 HydrophobicContact CE1-CG 4.05Å; Y647-L695 HydrophobicContact CG-CD2 4.4Å; F648-L695 HydrophobicContact CB-CD2 3.72Å; F648-L695 HydrophobicContact CD2-CD1 4.32Å; G691-L695 WeakPolarHBondContact O-CB 3.44Å; G691-L695 PolarHBondContact O-N 2.9Å; G692-L695 PolarHBondContact O-N 3.49Å; V693-L695 VanDerWaalsContact C-N 3.35Å; L695-Q697 VanDerWaalsContact C-N 3.28Å; L695-Q697 PolarHBondContact O-N 2.86Å; L695-S698 PolarHBondContact O-N 2.95Å; L695-L699 HydrophobicContact CD1-CD1 4.09Å; L695-L699 HydrophobicContact CD1-CD2 4.38Å; L695-L699 HydrophobicContact CD1-CG 3.93Å; L695-L699 HydrophobicContact CD2-CD1 4.5Å; L695-L699 HydrophobicContact CG-CD1 3.85Å; L695-L699 HydrophobicContact CG-CG 4.17Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 VanDerWaalsContact O-CG 3.28Å; L695-L699 WeakPolarHBondContact O-CG 3.44Å; L695-L699 PolarHBondContact O-N 3.49Å
696	T	98.6	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55.6	-42	173.1	-76.3	0	0	0	0	112.1	Y647 G692 V693 A700 V710	Y647-T696 PolarHBondContact OH-OG1 3.45Å; G692-T696 WeakPolarHBondContact O-CB 3.33Å; G692-T696 PolarHBondContact O-N 3.14Å; G692-T696 PolarHBondContact O-OG1 2.98Å; V693-T696 PolarHBondContact O-N 3.38Å; T696-A700 VanDerWaalsContact O-CB 3.29Å; T696-A700 WeakPolarHBondContact O-CB 3.24Å; T696-A700 PolarHBondContact O-N 3.38Å; T696-V710 HydrophobicContact CG2-CG1 4.17Å
697	Q	98	Very high	96.6	Very high	98 Å²	98	48.6 Å²	48.6	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-68.2	-43.1	177.2	-68.8	177.9	3.4	0	0	112.1	V693 G694 L695 A700 L701	V693-Q697 PolarHBondContact O-N 3.35Å; G694-Q697 PolarHBondContact O-N 3.34Å; L695-Q697 VanDerWaalsContact C-N 3.28Å; L695-Q697 PolarHBondContact O-N 2.86Å; Q697-A700 PolarHBondContact O-N 3.2Å; Q697-L701 WeakPolarHBondContact O-CG 3.27Å; Q697-L701 PolarHBondContact O-N 2.81Å; Q697-L701 VanDerWaalsContact O-N 3.15Å
698	S	98.3	Very high	96.8	Very high	60 Å²	60	46.6 Å²	46.6	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-48.4	177.9	-164.7	0	0	0	0	111.6	G694 L695 A700 L701 D702	G694-S698 PolarHBondContact O-N 3.14Å; L695-S698 PolarHBondContact O-N 2.95Å; S698-A700 VanDerWaalsContact C-N 3.31Å; S698-A700 PolarHBondContact O-N 3.32Å; S698-L701 PolarHBondContact O-N 3.16Å; S698-D702 PolarHBondContact O-N 2.85Å; S698-D702 VanDerWaalsContact O-N 3.08Å
699	L	98.4	Very high	96.8	Very high	15 Å²	15	47 Å²	47	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-37.6	178.4	-67.8	172.9	0	0	0	111.8	Y647 A651 L695 L701 D702 L703 V710	Y647-L699 HydrophobicContact CE1-CD1 4.5Å; A651-L699 HydrophobicContact CB-CD1 3.64Å; L695-L699 HydrophobicContact CD1-CD1 4.09Å; L695-L699 HydrophobicContact CD1-CD2 4.38Å; L695-L699 HydrophobicContact CD1-CG 3.93Å; L695-L699 HydrophobicContact CD2-CD1 4.5Å; L695-L699 HydrophobicContact CG-CD1 3.85Å; L695-L699 HydrophobicContact CG-CG 4.17Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 VanDerWaalsContact O-CG 3.28Å; L695-L699 WeakPolarHBondContact O-CG 3.44Å; L695-L699 PolarHBondContact O-N 3.49Å; L699-L701 VanDerWaalsContact C-N 3.3Å; L699-L701 PolarHBondContact O-N 2.8Å; L699-D702 PolarHBondContact O-N 2.83Å; L699-L703 HydrophobicContact CB-CD1 4.47Å; L699-L703 WeakPolarHBondContact O-CB 3.26Å; L699-L703 VanDerWaalsContact O-CG 3.23Å; L699-L703 WeakPolarHBondContact O-CG 3.39Å; L699-L703 PolarHBondContact O-N 3.29Å; L699-V710 HydrophobicContact CB-CB 4.39Å; L699-V710 HydrophobicContact CB-CG1 4.01Å; L699-V710 HydrophobicContact CB-CG2 4.03Å; L699-V710 HydrophobicContact CD1-CG1 4.41Å
700	A	98.3	Very high	96.9	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-38.8	175.4	0	0	0	0	0	112.5	T696 Q697 S698 A704 V710 T777 G778	T696-A700 VanDerWaalsContact O-CB 3.29Å; T696-A700 WeakPolarHBondContact O-CB 3.24Å; T696-A700 PolarHBondContact O-N 3.38Å; Q697-A700 PolarHBondContact O-N 3.2Å; S698-A700 VanDerWaalsContact C-N 3.31Å; S698-A700 PolarHBondContact O-N 3.32Å; A700-A704 VanDerWaalsContact O-CB 3.26Å; A700-A704 WeakPolarHBondContact O-CB 3.26Å; A700-A704 PolarHBondContact O-N 2.78Å; A700-A704 VanDerWaalsContact O-N 3.12Å; A700-V710 HydrophobicContact CB-CB 4.05Å; A700-V710 HydrophobicContact CB-CG2 4.44Å; A700-T777 HydrophobicContact CB-CG2 4.33Å; A700-T777 WeakPolarHBondContact CB-OG1 3.36Å; A700-G778 VanDerWaalsContact CB-N 3.31Å
701	L	97.4	Very high	97	Very high	141 Å²	141	42 Å²	42	74%	0.738	24%	0.244	S	C	*	.	H	α-helix	trans	-69.1	-43.9	177.3	-67.5	170.3	0	0	0	111.4	Q697 S698 L699 L703	Q697-L701 WeakPolarHBondContact O-CG 3.27Å; Q697-L701 PolarHBondContact O-N 2.81Å; Q697-L701 VanDerWaalsContact O-N 3.15Å; S698-L701 PolarHBondContact O-N 3.16Å; L699-L701 VanDerWaalsContact C-N 3.3Å; L699-L701 PolarHBondContact O-N 2.8Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 2.91Å
702	D	97.8	Very high	97	Very high	102 Å²	102	40.8 Å²	40.8	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-32.6	179.6	-71.3	-13.4	0	0	0	112.6	S698 L699	S698-D702 PolarHBondContact O-N 2.85Å; S698-D702 VanDerWaalsContact O-N 3.08Å; L699-D702 PolarHBondContact O-N 2.83Å
703	L	98.2	Very high	97	Very high	10 Å²	10	40.8 Å²	40.8	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-101.8	-8.4	-170.4	-61.8	176.4	0	0	0	114.2	I659 I667 L699 L701 E705 Y706 I708 V710	I659-L703 HydrophobicContact CD1-CD2 3.84Å; I667-L703 HydrophobicContact CD1-CD1 3.77Å; L699-L703 HydrophobicContact CB-CD1 4.47Å; L699-L703 WeakPolarHBondContact O-CB 3.26Å; L699-L703 VanDerWaalsContact O-CG 3.23Å; L699-L703 WeakPolarHBondContact O-CG 3.39Å; L699-L703 PolarHBondContact O-N 3.29Å; L701-L703 VanDerWaalsContact C-N 3.32Å; L701-L703 PolarHBondContact O-N 2.91Å; L703-E705 VanDerWaalsContact C-N 3.27Å; L703-E705 PolarHBondContact O-N 3.34Å; L703-Y706 HydrophobicContact CD2-CD2 4.46Å; L703-Y706 PolarHBondContact O-N 2.84Å; L703-Y706 VanDerWaalsContact O-N 3.1Å; L703-I708 HydrophobicContact CB-CB 3.96Å; L703-I708 HydrophobicContact CB-CG2 4.09Å; L703-I708 HydrophobicContact CD1-CG2 4.02Å; L703-I708 HydrophobicContact CD2-CD1 4.42Å; L703-I708 PolarHBondContact O-N 2.94Å; L703-V710 HydrophobicContact CD1-CG2 3.95Å
704	A	96	Very high	96.9	Very high	54 Å²	54	40 Å²	40	45%	0.446	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.9	-34.6	-179.3	0	0	0	0	0	113.2	A700 Y706 G707	A700-A704 VanDerWaalsContact O-CB 3.26Å; A700-A704 WeakPolarHBondContact O-CB 3.26Å; A700-A704 PolarHBondContact O-N 2.78Å; A700-A704 VanDerWaalsContact O-N 3.12Å; A704-Y706 PolarHBondContact O-N 3.1Å; A704-G707 PolarHBondContact O-N 2.95Å
705	E	93.8	Very high	96.8	Very high	152 Å²	152	38.5 Å²	38.5	71%	0.71	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-64.1	-20.7	178.6	69.8	176.9	159.4	0	0	113.2	L703	L703-E705 VanDerWaalsContact C-N 3.27Å; L703-E705 PolarHBondContact O-N 3.34Å
706	Y	91.7	Very high	96.5	Very high	100 Å²	100	37.3 Å²	37.3	39%	0.392	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-98.3	5.8	176.7	-51.6	-80.6	0	0	0	112.9	I659 L703 A704 I708	I659-Y706 HydrophobicContact CB-CD1 4.44Å; I659-Y706 HydrophobicContact CD1-CD2 3.9Å; I659-Y706 HydrophobicContact CD1-CE2 3.91Å; I659-Y706 HydrophobicContact CD1-CG 4.26Å; I659-Y706 HydrophobicContact CG1-CD1 3.98Å; I659-Y706 HydrophobicContact CG1-CD2 3.9Å; I659-Y706 HydrophobicContact CG1-CE1 4.35Å; I659-Y706 HydrophobicContact CG1-CE2 4.31Å; I659-Y706 HydrophobicContact CG1-CG 3.76Å; I659-Y706 HydrophobicContact CG2-CD1 3.87Å; I659-Y706 HydrophobicContact CG2-CE1 3.76Å; L703-Y706 HydrophobicContact CD2-CD2 4.46Å; L703-Y706 PolarHBondContact O-N 2.84Å; L703-Y706 VanDerWaalsContact O-N 3.1Å; A704-Y706 PolarHBondContact O-N 3.1Å; Y706-I708 PolarHBondContact O-N 3.05Å
707	G	90.2	Very high	96	Very high	23 Å²	23	38.3 Å²	38.3	24%	0.237	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	15.9	-175.3	0	0	0	0	0	114.4	Q664 R666 A704	Q664-G707 WeakPolarHBondContact CA-O 3.46Å; Q664-G707 WeakPolarHBondContact CB-O 3.49Å; R666-G707 PolarHBondContact NH1-O 3.2Å; A704-G707 PolarHBondContact O-N 2.95Å
708	I	97.1	Very high	95.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.195	C	C	.	.			trans	-88	124.8	177	-63.2	162.4	0	0	0	108.7	M658 I659 I663 G665 I667 L703 Y706	M658-I708 HydrophobicContact CB-CD1 3.59Å; M658-I708 HydrophobicContact CB-CG1 4.2Å; M658-I708 HydrophobicContact SD-CD1 4.35Å; M658-I708 HydrophobicContact SD-CG1 4.46Å; M658-I708 HydrophobicContact SD-CG2 4.12Å; I659-I708 HydrophobicContact CG1-CD1 3.8Å; I663-I708 WeakPolarHBondContact O-CG1 3.34Å; G665-I708 VanDerWaalsContact O-CA 3.32Å; G665-I708 WeakPolarHBondContact O-CA 3.34Å; I667-I708 HydrophobicContact CD1-CG2 4.28Å; I667-I708 HydrophobicContact CG1-CG2 4.34Å; L703-I708 HydrophobicContact CB-CB 3.96Å; L703-I708 HydrophobicContact CB-CG2 4.09Å; L703-I708 HydrophobicContact CD1-CG2 4.02Å; L703-I708 HydrophobicContact CD2-CD1 4.42Å; L703-I708 PolarHBondContact O-N 2.94Å; Y706-I708 PolarHBondContact O-N 3.05Å
709	T	98.1	Very high	95.1	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145.8	178.1	77.1	0	0	0	0	111.9	G665 R666 I667 H711 C776 T777	G665-T709 PolarHBondContact O-N 3.07Å; R666-T709 WeakPolarHBondContact CD-OG1 3.42Å; I667-T709 PolarHBondContact N-O 3.07Å; T709-H711 PolarHBondContact OG1-NE2 3.01Å; T709-C776 WeakPolarHBondContact CB-O 3.35Å; T709-C776 WeakPolarHBondContact CG2-O 3.5Å; T709-T777 WeakPolarHBondContact CA-OG1 3.45Å
710	V	98.7	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128	-177.5	-167.6	0	0	0	0	110.7	Y647 I667 T696 L699 A700 L703 T777 G778	Y647-V710 WeakPolarHBondContact OH-CG1 3.22Å; I667-V710 HydrophobicContact CB-CB 4.49Å; I667-V710 HydrophobicContact CB-CG1 4.05Å; I667-V710 HydrophobicContact CB-CG2 4.21Å; I667-V710 HydrophobicContact CD1-CG2 4.46Å; I667-V710 HydrophobicContact CG2-CG1 4.07Å; I667-V710 CarbonylContact O-C 3.5Å; I667-V710 VanDerWaalsContact O-CA 3.3Å; I667-V710 WeakPolarHBondContact O-CA 3.48Å; T696-V710 HydrophobicContact CG2-CG1 4.17Å; L699-V710 HydrophobicContact CB-CB 4.39Å; L699-V710 HydrophobicContact CB-CG1 4.01Å; L699-V710 HydrophobicContact CB-CG2 4.03Å; L699-V710 HydrophobicContact CD1-CG1 4.41Å; A700-V710 HydrophobicContact CB-CB 4.05Å; A700-V710 HydrophobicContact CB-CG2 4.44Å; L703-V710 HydrophobicContact CD1-CG2 3.95Å; V710-T777 PolarHBondContact N-OG1 3.41Å; V710-T777 VanDerWaalsContact N-OG1 3.1Å; V710-G778 WeakPolarHBondContact O-CA 3.23Å; V710-G778 PolarHBondContact O-N 2.96Å
711	H	98.4	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.5	-175	-61.3	-68.4	0	0	0	113	I667 I668 Q669 T709 Y768 C776 T777 Q779 I781	I667-H711 PolarHBondContact O-N 3.44Å; I668-H711 WeakPolarHBondContact CA-O 3.29Å; I668-H711 HydrophobicContact CG1-CB 4.42Å; Q669-H711 PolarHBondContact N-O 3.09Å; T709-H711 PolarHBondContact OG1-NE2 3.01Å; H711-Y768 AromaticContact CD2-CD1 3.67Å; H711-Y768 AromaticContact CE1-CD1 3.73Å; H711-Y768 AromaticContact CE1-CE1 3.86Å; H711-Y768 AromaticContact CG-CD1 3.79Å; H711-Y768 AromaticContact ND1-CD1 3.86Å; H711-Y768 AromaticContact NE2-CD1 3.62Å; H711-C776 PolarHBondContact CE1-O 3.11Å; H711-C776 PolarHBondContact NE2-O 2.81Å; H711-T777 WeakPolarHBondContact CE1-CA 3.22Å; H711-Q779 CarbonylContact C-O 3.52Å; H711-Q779 WeakPolarHBondContact CA-O 3.4Å; H711-I781 HydrophobicContact CB-CD1 4.05Å
712	S	97.8	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.8	170.9	48.9	0	0	0	0	110.5	Q669 Q779 S780 I781	Q669-S712 CarbonylContact O-C 3.42Å; Q669-S712 WeakPolarHBondContact O-CA 3.41Å; S712-Q779 PolarHBondContact N-O 3.29Å; S712-Q779 PolarHBondContact OG-O 3.21Å; S712-S780 CarbonylContact O-C 3.46Å; S712-S780 WeakPolarHBondContact O-CA 3.13Å; S712-S780 VanDerWaalsContact OG-CA 3.31Å; S712-S780 WeakPolarHBondContact OG-CA 3.48Å; S712-S780 VanDerWaalsContact OG-CB 3.32Å; S712-S780 WeakPolarHBondContact OG-CB 3.42Å; S712-S780 PolarHBondContact OG-OG 3.48Å; S712-I781 PolarHBondContact O-N 2.92Å
713	L	97.9	Very high	92.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111	175.3	-59	-175	0	0	0	109.4	I668 Q669 I670 N671 L715 V761 M764 L765 Y768 I781	I668-L713 HydrophobicContact CG2-CD1 4.09Å; I668-L713 HydrophobicContact CG2-CG 3.85Å; Q669-L713 PolarHBondContact O-N 2.97Å; I670-L713 HydrophobicContact CD1-CB 4.44Å; I670-L713 HydrophobicContact CD1-CD1 4.03Å; N671-L713 CarbonylContact C-O 3.58Å; N671-L713 VanDerWaalsContact CA-O 3.26Å; N671-L713 WeakPolarHBondContact CA-O 3.43Å; N671-L713 PolarHBondContact N-O 3.44Å; N671-L713 VanDerWaalsContact O-O 3.11Å; L713-L715 HydrophobicContact CB-CD2 4.01Å; L713-L715 PolarHBondContact O-N 3.43Å; L713-V761 HydrophobicContact CD1-CG1 4.38Å; L713-M764 HydrophobicContact CD1-CB 4.32Å; L713-M764 HydrophobicContact CD2-CB 4.29Å; L713-L765 HydrophobicContact CD1-CB 4.13Å; L713-Y768 HydrophobicContact CD2-CD2 4.22Å; L713-I781 HydrophobicContact CD2-CB 4.2Å; L713-I781 HydrophobicContact CD2-CD1 4.19Å
714	M	95.4	Very high	92.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	85.3	-176.2	-49.6	-58.2	-76.9	0	0	109.9	N671 S672 K676 V693 I781 V783 T784	N671-M714 HydrophobicContact CB-CE 4.45Å; N671-M714 HydrophobicContact CB-SD 3.55Å; N671-M714 VanDerWaalsContact CB-SD 3.55Å; N671-M714 VanDerWaalsContact CG-SD 3.57Å; S672-M714 WeakPolarHBondContact O-CE 3.47Å; K676-M714 HydrophobicContact CD-CE 4.36Å; K676-M714 HydrophobicContact CG-CE 3.76Å; V693-M714 HydrophobicContact CG2-CE 3.44Å; V693-M714 VanDerWaalsContact CG2-CE 3.44Å; V693-M714 HydrophobicContact CG2-SD 3.87Å; M714-I781 WeakPolarHBondContact CA-O 3.29Å; M714-I781 VanDerWaalsContact CB-O 3.31Å; M714-I781 WeakPolarHBondContact CB-O 3.4Å; M714-I781 PolarHBondContact N-O 3.43Å; M714-V783 PolarHBondContact O-N 3.17Å; M714-T784 VanDerWaalsContact O-CG2 3.26Å; M714-T784 WeakPolarHBondContact O-CG2 3.44Å
715	L	95.2	Very high	91.7	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	144.4	-173.2	-53.1	-167.7	0	0	0	113.5	L545 I670 N671 K673 L713 L718 V761 V783	L545-L715 HydrophobicContact CD2-CD1 3.82Å; I670-L715 HydrophobicContact CG2-CD1 3.45Å; I670-L715 VanDerWaalsContact CG2-CD1 3.45Å; I670-L715 HydrophobicContact CG2-CG 4Å; N671-L715 PolarHBondContact O-N 2.91Å; K673-L715 PolarHBondContact N-O 3.36Å; L713-L715 HydrophobicContact CB-CD2 4.01Å; L713-L715 PolarHBondContact O-N 3.43Å; L715-L718 HydrophobicContact CD1-CD1 3.96Å; L715-V761 HydrophobicContact CD1-CG1 4.07Å; L715-V761 HydrophobicContact CD1-CG2 3.67Å; L715-V761 HydrophobicContact CD2-CB 4.35Å; L715-V761 HydrophobicContact CD2-CG1 3.92Å; L715-V761 HydrophobicContact CD2-CG2 3.74Å; L715-V761 HydrophobicContact CG-CG2 4.32Å; L715-V783 HydrophobicContact CD2-CB 3.85Å; L715-V783 HydrophobicContact CD2-CG1 4.43Å; L715-V783 HydrophobicContact CD2-CG2 4Å
716	G	91.2	Very high	91.3	Very high	9 Å²	9	33.6 Å²	33.6	9%	0.093	18%	0.179	C	C	.	.			trans	-69.4	-166.1	162.6	0	0	0	0	0	112.4	L718 V783	G716-L718 PolarHBondContact O-N 3.02Å; G716-V783 PolarHBondContact N-O 3.41Å
717	N	88.5	Confident	90.9	Very high	21 Å²	21	29.4 Å²	29.4	11%	0.112	16%	0.164	C	C	.	.			trans	-77.9	118.6	178.5	-42.7	-61.3	0	0	0	109.6	K673 L719 F724 Y746 C756 Q787	K673-N717 WeakPolarHBondContact CE-OD1 3.26Å; K673-N717 PolarHBondContact NZ-OD1 3.42Å; N717-L719 VanDerWaalsContact C-N 3.31Å; N717-L719 HydrophobicContact CB-CD2 3.63Å; N717-L719 HydrophobicContact CB-CG 4.31Å; N717-L719 PolarHBondContact O-N 3.44Å; N717-L719 VanDerWaalsContact O-N 3.14Å; N717-F724 HydrophobicContact CB-CD2 4.31Å; N717-F724 HydrophobicContact CB-CE2 4Å; N717-Y746 WeakPolarHBondContact ND2-CD1 3.42Å; N717-C756 PolarHBondContact O-N 2.96Å; N717-C756 VanDerWaalsContact O-N 3.11Å; N717-Q787 PolarHBondContact ND2-OE1 3.23Å
718	L	91	Very high	90.6	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.136	16%	0.157	C	C	.	.			trans	-81.5	77.6	169.4	-64.5	170.1	0	0	0	108.9	L545 L715 G716 K720 S721 F724 C756 Y758 V761	L545-L718 HydrophobicContact CD2-CD1 3.96Å; L715-L718 HydrophobicContact CD1-CD1 3.96Å; G716-L718 PolarHBondContact O-N 3.02Å; L718-K720 VanDerWaalsContact C-N 3.26Å; L718-K720 PolarHBondContact O-N 2.96Å; L718-S721 VanDerWaalsContact O-CB 3.3Å; L718-S721 WeakPolarHBondContact O-CB 3.39Å; L718-S721 PolarHBondContact O-N 3.3Å; L718-S721 PolarHBondContact O-OG 3.1Å; L718-F724 VanDerWaalsContact O-CB 3.31Å; L718-F724 WeakPolarHBondContact O-CB 3.33Å; L718-C756 WeakPolarHBondContact CA-O 3.24Å; L718-C756 HydrophobicContact CD2-CB 4.14Å; L718-C756 VanDerWaalsContact CD2-O 3.29Å; L718-C756 WeakPolarHBondContact CD2-O 2.96Å; L718-Y758 HydrophobicContact CB-CE1 4.45Å; L718-Y758 HydrophobicContact CD1-CD1 4.37Å; L718-Y758 HydrophobicContact CD1-CE1 4.02Å; L718-Y758 HydrophobicContact CD2-CD1 3.93Å; L718-Y758 HydrophobicContact CD2-CE1 4.19Å; L718-Y758 HydrophobicContact CG-CE1 4.45Å; L718-V761 HydrophobicContact CD2-CG2 4.2Å
719	L	85.3	Confident	89.9	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.047	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37	-165.8	-60.3	175.9	0	0	0	113.1	N717 S721 F724 Q725 I747	N717-L719 VanDerWaalsContact C-N 3.31Å; N717-L719 HydrophobicContact CB-CD2 3.63Å; N717-L719 HydrophobicContact CB-CG 4.31Å; N717-L719 PolarHBondContact O-N 3.44Å; N717-L719 VanDerWaalsContact O-N 3.14Å; L719-S721 VanDerWaalsContact C-N 3.32Å; L719-S721 PolarHBondContact O-N 3.38Å; L719-F724 HydrophobicContact CB-CD1 4.43Å; L719-F724 HydrophobicContact CB-CE1 4.45Å; L719-F724 HydrophobicContact CD2-CD1 4.14Å; L719-F724 HydrophobicContact CD2-CD2 4.32Å; L719-F724 HydrophobicContact CD2-CE1 3.55Å; L719-F724 HydrophobicContact CD2-CE2 3.77Å; L719-F724 HydrophobicContact CD2-CG 4.5Å; L719-F724 HydrophobicContact CD2-CZ 3.34Å; L719-F724 WeakPolarHBondContact O-CD1 3.17Å; L719-Q725 PolarHBondContact O-NE2 3.32Å; L719-I747 HydrophobicContact CD1-CD1 3.83Å; L719-I747 HydrophobicContact CD1-CG1 3.35Å
720	K	86.3	Confident	88.9	Confident	164 Å²	164	36.7 Å²	36.7	71%	0.713	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.3	-179.3	-61	176.6	-177.5	167	0	114.2	L718	L718-K720 VanDerWaalsContact C-N 3.26Å; L718-K720 PolarHBondContact O-N 2.96Å
721	S	86.9	Confident	88.1	Confident	13 Å²	13	37.7 Å²	37.7	9%	0.091	20%	0.202	C	C	.	.	S	Bend	trans	-71.4	145.7	-177.2	67.8	0	0	0	0	112	L718 L719 M723 F724 Q725	L718-S721 VanDerWaalsContact O-CB 3.3Å; L718-S721 WeakPolarHBondContact O-CB 3.39Å; L718-S721 PolarHBondContact O-N 3.3Å; L718-S721 PolarHBondContact O-OG 3.1Å; L719-S721 VanDerWaalsContact C-N 3.32Å; L719-S721 PolarHBondContact O-N 3.38Å; S721-M723 PolarHBondContact O-N 3.2Å; S721-M723 VanDerWaalsContact O-N 3.12Å; S721-F724 PolarHBondContact O-N 3.12Å; S721-F724 WeakPolarHBondContact OG-CB 3.4Å; S721-F724 PolarHBondContact OG-N 3.46Å; S721-Q725 WeakPolarHBondContact O-CG 3.41Å; S721-Q725 PolarHBondContact O-N 2.84Å
722	P	85.6	Confident	87.4	Confident	81 Å²	81	38 Å²	38	53%	0.526	20%	0.204	S	C	.	.	H	α-helix	trans	-54	-34.8	175.7	-29.9	37.4	0	0	0	113.5	T544 S726	T544-P722 HydrophobicContact CG2-CB 4.5Å; T544-P722 HydrophobicContact CG2-CG 3.72Å; P722-S726 WeakPolarHBondContact O-CB 3.38Å; P722-S726 PolarHBondContact O-N 3.45Å
723	M	84.2	Confident	86.6	Confident	82 Å²	82	43.8 Å²	43.8	40%	0.404	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-50.3	175.4	-175.3	-175.4	-67.1	0	0	111.5	G621 A623 S721 S726 L727	G621-M723 WeakPolarHBondContact O-CE 3.35Å; A623-M723 HydrophobicContact CB-SD 4.31Å; S721-M723 PolarHBondContact O-N 3.2Å; S721-M723 VanDerWaalsContact O-N 3.12Å; M723-S726 PolarHBondContact O-N 2.88Å; M723-S726 PolarHBondContact O-OG 2.83Å; M723-L727 WeakPolarHBondContact O-CG 3.28Å
724	F	85.2	Confident	85.6	Confident	14 Å²	14	46.2 Å²	46.2	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-43.1	-179.8	-171.5	-88.4	0	0	0	111.5	N717 L718 L719 S721 S726 L727 L728 Y731 V742 E743 Y746	N717-F724 HydrophobicContact CB-CD2 4.31Å; N717-F724 HydrophobicContact CB-CE2 4Å; L718-F724 VanDerWaalsContact O-CB 3.31Å; L718-F724 WeakPolarHBondContact O-CB 3.33Å; L719-F724 HydrophobicContact CB-CD1 4.43Å; L719-F724 HydrophobicContact CB-CE1 4.45Å; L719-F724 HydrophobicContact CD2-CD1 4.14Å; L719-F724 HydrophobicContact CD2-CD2 4.32Å; L719-F724 HydrophobicContact CD2-CE1 3.55Å; L719-F724 HydrophobicContact CD2-CE2 3.77Å; L719-F724 HydrophobicContact CD2-CG 4.5Å; L719-F724 HydrophobicContact CD2-CZ 3.34Å; L719-F724 WeakPolarHBondContact O-CD1 3.17Å; S721-F724 PolarHBondContact O-N 3.12Å; S721-F724 WeakPolarHBondContact OG-CB 3.4Å; S721-F724 PolarHBondContact OG-N 3.46Å; F724-S726 VanDerWaalsContact C-N 3.28Å; F724-S726 PolarHBondContact O-N 3.42Å; F724-L727 PolarHBondContact O-N 3.36Å; F724-L728 HydrophobicContact CD1-CD2 4.09Å; F724-L728 HydrophobicContact CE1-CD2 3.62Å; F724-L728 HydrophobicContact CZ-CD2 4.5Å; F724-L728 PolarHBondContact O-N 2.91Å; F724-Y731 HydrophobicContact CD2-CE2 4.38Å; F724-Y731 HydrophobicContact CE2-CD2 4.34Å; F724-Y731 AromaticContact CE2-CE2 3.99Å; F724-Y731 HydrophobicContact CE2-CE2 3.99Å; F724-Y731 HydrophobicContact CZ-CD2 4.41Å; F724-V742 HydrophobicContact CZ-CG1 4.49Å; F724-E743 HydrophobicContact CE1-CG 4.1Å; F724-Y746 HydrophobicContact CE2-CD2 4.24Å; F724-Y746 HydrophobicContact CE2-CE2 4.41Å; F724-Y746 HydrophobicContact CE2-CG 4.43Å; F724-Y746 AromaticContact CZ-CD2 3.71Å; F724-Y746 HydrophobicContact CZ-CD2 3.71Å; F724-Y746 HydrophobicContact CZ-CE2 4.14Å; F724-Y746 HydrophobicContact CZ-CG 4.13Å
725	Q	88.3	Confident	84.9	Confident	74 Å²	74	48.3 Å²	48.3	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-40.4	177.3	-67.5	-63	-43.9	0	0	111.8	L719 S721 L727 L728 E743	L719-Q725 PolarHBondContact O-NE2 3.32Å; S721-Q725 WeakPolarHBondContact O-CG 3.41Å; S721-Q725 PolarHBondContact O-N 2.84Å; Q725-L727 PolarHBondContact O-N 3.5Å; Q725-L728 WeakPolarHBondContact O-CB 3.43Å; Q725-L728 WeakPolarHBondContact O-CG 3.25Å; Q725-L728 PolarHBondContact O-N 2.84Å; Q725-L728 VanDerWaalsContact OE1-CD1 3.25Å; Q725-E743 PolarHBondContact NE2-OE1 2.9Å
726	S	84.1	Confident	84.3	Confident	74 Å²	74	51.4 Å²	51.4	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-22.9	177.4	79.2	0	0	0	0	114	P722 M723 F724	P722-S726 WeakPolarHBondContact O-CB 3.38Å; P722-S726 PolarHBondContact O-N 3.45Å; M723-S726 PolarHBondContact O-N 2.88Å; M723-S726 PolarHBondContact O-OG 2.83Å; F724-S726 VanDerWaalsContact C-N 3.28Å; F724-S726 PolarHBondContact O-N 3.42Å
727	L	82.9	Confident	84.2	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-92.2	-9.9	-178.7	-63.9	172.8	0	0	0	113.2	M723 F724 Q725 P729 Q730 Y731	M723-L727 WeakPolarHBondContact O-CG 3.28Å; F724-L727 PolarHBondContact O-N 3.36Å; Q725-L727 PolarHBondContact O-N 3.5Å; L727-P729 VanDerWaalsContact C-CD 3.5Å; L727-Q730 PolarHBondContact O-N 3Å; L727-Q730 VanDerWaalsContact O-N 3.12Å; L727-Y731 HydrophobicContact CB-CD2 4.03Å; L727-Y731 HydrophobicContact CB-CE1 4.46Å; L727-Y731 HydrophobicContact CB-CE2 3.77Å; L727-Y731 HydrophobicContact CB-CG 4.49Å; L727-Y731 HydrophobicContact CD1-CE2 4.18Å; L727-Y731 PolarHBondContact O-N 3.44Å
728	L	84.3	Confident	84.1	Confident	20 Å²	20	58.8 Å²	58.8	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-52.5	-45.3	-178.1	-70.5	-180	0	0	0	113.7	F724 Q725 Q730 Y731 A732 V742 E743	F724-L728 HydrophobicContact CD1-CD2 4.09Å; F724-L728 HydrophobicContact CE1-CD2 3.62Å; F724-L728 HydrophobicContact CZ-CD2 4.5Å; F724-L728 PolarHBondContact O-N 2.91Å; Q725-L728 WeakPolarHBondContact O-CB 3.43Å; Q725-L728 WeakPolarHBondContact O-CG 3.25Å; Q725-L728 PolarHBondContact O-N 2.84Å; Q725-L728 VanDerWaalsContact OE1-CD1 3.25Å; L728-Q730 VanDerWaalsContact C-N 3.33Å; L728-Q730 PolarHBondContact O-N 3.35Å; L728-Y731 PolarHBondContact O-N 3.29Å; L728-A732 VanDerWaalsContact O-CB 3.24Å; L728-A732 WeakPolarHBondContact O-CB 3.43Å; L728-A732 PolarHBondContact O-N 3.26Å; L728-V742 HydrophobicContact CD2-CB 3.78Å; L728-V742 HydrophobicContact CD2-CG1 3.62Å; L728-E743 HydrophobicContact CD2-CG 4.31Å
729	P	82.7	Confident	83.8	Confident	76 Å²	76	60.8 Å²	60.8	49%	0.494	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-37.7	179.8	-22.6	34.6	0	0	0	113.2	L727 T733	L727-P729 VanDerWaalsContact C-CD 3.5Å; P729-T733 WeakPolarHBondContact O-CB 3.36Å; P729-T733 PolarHBondContact O-N 3.21Å; P729-T733 VanDerWaalsContact O-N 3.14Å; P729-T733 PolarHBondContact O-OG1 3.5Å
730	Q	78.2	Confident	83.9	Confident	89 Å²	89	66.2 Å²	66.2	42%	0.416	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-39.5	178.9	-62.6	162.1	41.1	0	0	110.5	L727 L728 K734	L727-Q730 PolarHBondContact O-N 3Å; L727-Q730 VanDerWaalsContact O-N 3.12Å; L728-Q730 VanDerWaalsContact C-N 3.33Å; L728-Q730 PolarHBondContact O-N 3.35Å; Q730-K734 VanDerWaalsContact O-CB 3.24Å; Q730-K734 WeakPolarHBondContact O-CB 3.27Å; Q730-K734 PolarHBondContact O-N 3.3Å
731	Y	81.3	Confident	84	Confident	21 Å²	21	62.9 Å²	62.9	8%	0.082	36%	0.356	C	S	.	.	H	α-helix	trans	-70.6	-39.1	175.9	-71.6	-13.4	0	0	0	113	F724 L727 L728 T733 K734 L735 V742 Y746	F724-Y731 HydrophobicContact CD2-CE2 4.38Å; F724-Y731 HydrophobicContact CE2-CD2 4.34Å; F724-Y731 AromaticContact CE2-CE2 3.99Å; F724-Y731 HydrophobicContact CE2-CE2 3.99Å; F724-Y731 HydrophobicContact CZ-CD2 4.41Å; L727-Y731 HydrophobicContact CB-CD2 4.03Å; L727-Y731 HydrophobicContact CB-CE1 4.46Å; L727-Y731 HydrophobicContact CB-CE2 3.77Å; L727-Y731 HydrophobicContact CB-CG 4.49Å; L727-Y731 HydrophobicContact CD1-CE2 4.18Å; L727-Y731 PolarHBondContact O-N 3.44Å; L728-Y731 PolarHBondContact O-N 3.29Å; Y731-T733 VanDerWaalsContact C-N 3.35Å; Y731-T733 PolarHBondContact O-N 2.96Å; Y731-K734 HydrophobicContact CD1-CD 4.24Å; Y731-K734 PolarHBondContact O-N 2.87Å; Y731-L735 VanDerWaalsContact O-CB 3.24Å; Y731-L735 WeakPolarHBondContact O-CB 3.46Å; Y731-L735 WeakPolarHBondContact O-CG 3.35Å; Y731-L735 PolarHBondContact O-N 3.39Å; Y731-V742 HydrophobicContact CD2-CG1 4.29Å; Y731-Y746 AromaticContact CD2-CE2 3.83Å; Y731-Y746 HydrophobicContact CD2-CE2 3.83Å; Y731-Y746 HydrophobicContact CE2-CE2 4.29Å; Y731-Y746 HydrophobicContact CG-CE2 4.32Å
732	A	84.2	Confident	84	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-51.2	172.2	0	0	0	0	0	110.8	L728 K734 L735 G736 I737 P739 V742	L728-A732 VanDerWaalsContact O-CB 3.24Å; L728-A732 WeakPolarHBondContact O-CB 3.43Å; L728-A732 PolarHBondContact O-N 3.26Å; A732-K734 PolarHBondContact O-N 2.88Å; A732-L735 PolarHBondContact O-N 3.2Å; A732-G736 PolarHBondContact O-N 2.86Å; A732-I737 CarbonylContact C-O 3.55Å; A732-I737 WeakPolarHBondContact CA-O 3.38Å; A732-I737 VanDerWaalsContact CB-O 3.32Å; A732-I737 WeakPolarHBondContact CB-O 3.28Å; A732-I737 PolarHBondContact O-N 3.1Å; A732-P739 HydrophobicContact CB-CB 4.21Å; A732-P739 HydrophobicContact CB-CG 3.77Å; A732-V742 HydrophobicContact CB-CG2 3.85Å
733	T	80.4	Confident	84.2	Confident	121 Å²	121	61.3 Å²	61.3	74%	0.742	34%	0.34	S	S	*	.	H	α-helix	trans	-61.1	-44	177.2	-54.1	0	0	0	0	111.8	P729 Y731 L735	P729-T733 WeakPolarHBondContact O-CB 3.36Å; P729-T733 PolarHBondContact O-N 3.21Å; P729-T733 VanDerWaalsContact O-N 3.14Å; P729-T733 PolarHBondContact O-OG1 3.5Å; Y731-T733 VanDerWaalsContact C-N 3.35Å; Y731-T733 PolarHBondContact O-N 2.96Å; T733-L735 PolarHBondContact O-N 2.95Å
734	K	76.2	Confident	84.5	Confident	52 Å²	52	62.3 Å²	62.3	23%	0.226	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-36.2	177.7	171.3	-176.2	169.8	-177.8	0	113.6	K680 Q730 Y731 A732	K680-K734 PolarHBondContact O-NZ 2.95Å; Q730-K734 VanDerWaalsContact O-CB 3.24Å; Q730-K734 WeakPolarHBondContact O-CB 3.27Å; Q730-K734 PolarHBondContact O-N 3.3Å; Y731-K734 HydrophobicContact CD1-CD 4.24Å; Y731-K734 PolarHBondContact O-N 2.87Å; A732-K734 PolarHBondContact O-N 2.88Å
735	L	80.9	Confident	84.7	Confident	44 Å²	44	65.6 Å²	65.6	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-92.9	-12	-175.3	-67.9	173.1	0	0	0	112.7	Y731 A732 T733 I737 V742 Y745 Y746	Y731-L735 VanDerWaalsContact O-CB 3.24Å; Y731-L735 WeakPolarHBondContact O-CB 3.46Å; Y731-L735 WeakPolarHBondContact O-CG 3.35Å; Y731-L735 PolarHBondContact O-N 3.39Å; A732-L735 PolarHBondContact O-N 3.2Å; T733-L735 PolarHBondContact O-N 2.95Å; L735-I737 VanDerWaalsContact C-N 3.3Å; L735-I737 HydrophobicContact CB-CD1 3.88Å; L735-I737 HydrophobicContact CB-CG1 3.77Å; L735-I737 HydrophobicContact CD1-CD1 3.81Å; L735-I737 HydrophobicContact CD1-CG1 4.44Å; L735-V742 HydrophobicContact CD1-CG1 4.4Å; L735-Y745 HydrophobicContact CD1-CD1 3.46Å; L735-Y745 VanDerWaalsContact CD1-CD1 3.46Å; L735-Y745 HydrophobicContact CD1-CE1 3.69Å; L735-Y745 HydrophobicContact CD1-CG 4.04Å; L735-Y745 HydrophobicContact CD2-CD1 4.12Å; L735-Y745 HydrophobicContact CD2-CE1 3.45Å; L735-Y745 VanDerWaalsContact CD2-CE1 3.45Å; L735-Y745 HydrophobicContact CD2-CE2 4.39Å; L735-Y745 HydrophobicContact CG-CD1 4.43Å; L735-Y745 HydrophobicContact CG-CE1 4.22Å; L735-Y746 HydrophobicContact CD1-CE2 4.16Å
736	G	83.8	Confident	84.7	Confident	71 Å²	71	63 Å²	63	73%	0.732	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	28.2	-175.7	0	0	0	0	0	113.1	A732	A732-G736 PolarHBondContact O-N 2.86Å
737	I	88.4	Confident	84.9	Confident	51 Å²	51	61 Å²	61	26%	0.262	33%	0.326	S	S	.	.	S	Bend	trans	-125.8	166.5	-178.9	65.7	-175.8	0	0	0	110.2	A732 L735 Q741 V742 Y745	A732-I737 CarbonylContact C-O 3.55Å; A732-I737 WeakPolarHBondContact CA-O 3.38Å; A732-I737 VanDerWaalsContact CB-O 3.32Å; A732-I737 WeakPolarHBondContact CB-O 3.28Å; A732-I737 PolarHBondContact O-N 3.1Å; L735-I737 VanDerWaalsContact C-N 3.3Å; L735-I737 HydrophobicContact CB-CD1 3.88Å; L735-I737 HydrophobicContact CB-CG1 3.77Å; L735-I737 HydrophobicContact CD1-CD1 3.81Å; L735-I737 HydrophobicContact CD1-CG1 4.44Å; I737-Q741 HydrophobicContact CB-CB 4.29Å; I737-Q741 HydrophobicContact CD1-CB 4.18Å; I737-Q741 HydrophobicContact CG1-CB 4.37Å; I737-V742 HydrophobicContact CD1-CG2 4.04Å; I737-V742 HydrophobicContact CG1-CG2 4Å; I737-Y745 HydrophobicContact CD1-CG 4.23Å
738	K	86.1	Confident	85.2	Confident	135 Å²	135	64.3 Å²	64.3	59%	0.587	34%	0.344	S	S	*	.			trans	-72.7	150.8	177	-60.3	-179.3	177.1	178.6	0	111.3	D740 Q741	K738-D740 VanDerWaalsContact C-N 3.25Å; K738-D740 WeakPolarHBondContact CB-OD1 3.31Å; K738-D740 PolarHBondContact O-N 3.05Å; K738-Q741 HydrophobicContact CB-CG 4.27Å; K738-Q741 WeakPolarHBondContact O-CB 3.38Å; K738-Q741 PolarHBondContact O-N 3.35Å
739	P	84.5	Confident	85.2	Confident	67 Å²	67	68.1 Å²	68.1	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-53.7	-36.1	-179.4	-27.4	34.9	0	0	0	115.3	A732 Q741 V742	A732-P739 HydrophobicContact CB-CB 4.21Å; A732-P739 HydrophobicContact CB-CG 3.77Å; P739-Q741 PolarHBondContact O-N 2.89Å; P739-V742 WeakPolarHBondContact O-CB 3.48Å; P739-V742 PolarHBondContact O-N 3.34Å
740	D	88	Confident	85.5	Confident	123 Å²	123	64.9 Å²	64.9	66%	0.658	34%	0.339	S	S	*	.	H	α-helix	trans	-67.7	-20	176.4	58.1	-47	0	0	0	113.6	K738	K738-D740 VanDerWaalsContact C-N 3.25Å; K738-D740 WeakPolarHBondContact CB-OD1 3.31Å; K738-D740 PolarHBondContact O-N 3.05Å
741	Q	89	Confident	85.9	Confident	94 Å²	94	64.4 Å²	64.4	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-91.4	-13.1	178.5	-60.6	179.3	-42.7	0	0	113	I737 K738 P739 E743 Q744 Y745	I737-Q741 HydrophobicContact CB-CB 4.29Å; I737-Q741 HydrophobicContact CD1-CB 4.18Å; I737-Q741 HydrophobicContact CG1-CB 4.37Å; K738-Q741 HydrophobicContact CB-CG 4.27Å; K738-Q741 WeakPolarHBondContact O-CB 3.38Å; K738-Q741 PolarHBondContact O-N 3.35Å; P739-Q741 PolarHBondContact O-N 2.89Å; Q741-E743 PolarHBondContact O-N 3.14Å; Q741-Q744 PolarHBondContact O-N 3.03Å; Q741-Y745 PolarHBondContact O-N 3.19Å
742	V	86.9	Confident	86.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-42.5	-175.2	173.6	0	0	0	0	111.5	F724 L728 Y731 A732 L735 I737 P739 Y745 Y746	F724-V742 HydrophobicContact CZ-CG1 4.49Å; L728-V742 HydrophobicContact CD2-CB 3.78Å; L728-V742 HydrophobicContact CD2-CG1 3.62Å; Y731-V742 HydrophobicContact CD2-CG1 4.29Å; A732-V742 HydrophobicContact CB-CG2 3.85Å; L735-V742 HydrophobicContact CD1-CG1 4.4Å; I737-V742 HydrophobicContact CD1-CG2 4.04Å; I737-V742 HydrophobicContact CG1-CG2 4Å; P739-V742 WeakPolarHBondContact O-CB 3.48Å; P739-V742 PolarHBondContact O-N 3.34Å; V742-Y745 WeakPolarHBondContact O-CB 3.31Å; V742-Y745 PolarHBondContact O-N 2.82Å; V742-Y746 HydrophobicContact CG1-CD2 3.86Å; V742-Y746 HydrophobicContact CG1-CE2 3.86Å; V742-Y746 VanDerWaalsContact O-CD2 3.31Å; V742-Y746 WeakPolarHBondContact O-CD2 3.16Å; V742-Y746 PolarHBondContact O-N 3.27Å; V742-Y746 VanDerWaalsContact O-N 3.13Å
743	E	89.5	Confident	86.6	Confident	61 Å²	61	74.7 Å²	74.7	29%	0.285	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-49.8	177.8	-73.5	-172.8	-160.3	0	0	111.5	F724 Q725 L728 Q741 Y745 Y746 I747	F724-E743 HydrophobicContact CE1-CG 4.1Å; Q725-E743 PolarHBondContact NE2-OE1 2.9Å; L728-E743 HydrophobicContact CD2-CG 4.31Å; Q741-E743 PolarHBondContact O-N 3.14Å; E743-Y745 VanDerWaalsContact C-N 3.3Å; E743-Y745 PolarHBondContact O-N 2.84Å; E743-Y746 PolarHBondContact O-N 3.42Å; E743-I747 WeakPolarHBondContact O-CG1 3.43Å; E743-I747 PolarHBondContact O-N 2.95Å
744	Q	90.8	Very high	87.1	Confident	103 Å²	103	73.8 Å²	73.8	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-58.3	-43.3	178.5	-170.1	60.1	49.9	0	0	111.5	Q741 Y746 I747 D748	Q741-Q744 PolarHBondContact O-N 3.03Å; Q744-Y746 VanDerWaalsContact C-N 3.27Å; Q744-Y746 PolarHBondContact O-N 3.21Å; Q744-I747 WeakPolarHBondContact O-CB 3.26Å; Q744-I747 PolarHBondContact O-N 3.08Å; Q744-I747 VanDerWaalsContact O-N 3.14Å; Q744-D748 PolarHBondContact NE2-OD1 3.32Å; Q744-D748 PolarHBondContact O-N 3.13Å
745	Y	88.4	Confident	87.6	Confident	84 Å²	84	71.9 Å²	71.9	33%	0.329	37%	0.37	S	S	.	.	H	α-helix	trans	-57.2	-38.7	175.5	175.9	-91.7	0	0	0	113.1	L735 I737 Q741 V742 E743 K749	L735-Y745 HydrophobicContact CD1-CD1 3.46Å; L735-Y745 VanDerWaalsContact CD1-CD1 3.46Å; L735-Y745 HydrophobicContact CD1-CE1 3.69Å; L735-Y745 HydrophobicContact CD1-CG 4.04Å; L735-Y745 HydrophobicContact CD2-CD1 4.12Å; L735-Y745 HydrophobicContact CD2-CE1 3.45Å; L735-Y745 VanDerWaalsContact CD2-CE1 3.45Å; L735-Y745 HydrophobicContact CD2-CE2 4.39Å; L735-Y745 HydrophobicContact CG-CD1 4.43Å; L735-Y745 HydrophobicContact CG-CE1 4.22Å; I737-Y745 HydrophobicContact CD1-CG 4.23Å; Q741-Y745 PolarHBondContact O-N 3.19Å; V742-Y745 WeakPolarHBondContact O-CB 3.31Å; V742-Y745 PolarHBondContact O-N 2.82Å; E743-Y745 VanDerWaalsContact C-N 3.3Å; E743-Y745 PolarHBondContact O-N 2.84Å; Y745-K749 HydrophobicContact CE1-CD 4.25Å; Y745-K749 WeakPolarHBondContact OH-CE 3.33Å; Y745-K749 PolarHBondContact OH-NZ 3.35Å
746	Y	87.7	Confident	88.1	Confident	19 Å²	19	70.3 Å²	70.3	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-77.3	-32.8	177.3	-84.5	-79.3	0	0	0	112.9	N717 F724 Y731 L735 V742 E743 Q744 K749	N717-Y746 WeakPolarHBondContact ND2-CD1 3.42Å; F724-Y746 HydrophobicContact CE2-CD2 4.24Å; F724-Y746 HydrophobicContact CE2-CE2 4.41Å; F724-Y746 HydrophobicContact CE2-CG 4.43Å; F724-Y746 AromaticContact CZ-CD2 3.71Å; F724-Y746 HydrophobicContact CZ-CD2 3.71Å; F724-Y746 HydrophobicContact CZ-CE2 4.14Å; F724-Y746 HydrophobicContact CZ-CG 4.13Å; Y731-Y746 AromaticContact CD2-CE2 3.83Å; Y731-Y746 HydrophobicContact CD2-CE2 3.83Å; Y731-Y746 HydrophobicContact CE2-CE2 4.29Å; Y731-Y746 HydrophobicContact CG-CE2 4.32Å; L735-Y746 HydrophobicContact CD1-CE2 4.16Å; V742-Y746 HydrophobicContact CG1-CD2 3.86Å; V742-Y746 HydrophobicContact CG1-CE2 3.86Å; V742-Y746 VanDerWaalsContact O-CD2 3.31Å; V742-Y746 WeakPolarHBondContact O-CD2 3.16Å; V742-Y746 PolarHBondContact O-N 3.27Å; V742-Y746 VanDerWaalsContact O-N 3.13Å; E743-Y746 PolarHBondContact O-N 3.42Å; Q744-Y746 VanDerWaalsContact C-N 3.27Å; Q744-Y746 PolarHBondContact O-N 3.21Å; Y746-K749 PolarHBondContact O-N 3.08Å
747	I	89.6	Confident	88.5	Confident	32 Å²	32	70 Å²	70	16%	0.164	35%	0.345	C	S	.	.	H	α-helix	trans	-61.6	-44.6	172	-70.3	171.3	0	0	0	110.4	L719 E743 Q744 K749 V750 K753	L719-I747 HydrophobicContact CD1-CD1 3.83Å; L719-I747 HydrophobicContact CD1-CG1 3.35Å; E743-I747 WeakPolarHBondContact O-CG1 3.43Å; E743-I747 PolarHBondContact O-N 2.95Å; Q744-I747 WeakPolarHBondContact O-CB 3.26Å; Q744-I747 PolarHBondContact O-N 3.08Å; Q744-I747 VanDerWaalsContact O-N 3.14Å; I747-K749 PolarHBondContact O-N 2.88Å; I747-K749 VanDerWaalsContact O-N 3.13Å; I747-V750 PolarHBondContact O-N 2.71Å; I747-K753 VanDerWaalsContact CG2-O 3.27Å; I747-K753 WeakPolarHBondContact CG2-O 3.47Å
748	D	88.1	Confident	88.9	Confident	82 Å²	82	70 Å²	70	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-27.4	-176.6	-68.1	-20.9	0	0	0	112.9	Q744 V750 K753	Q744-D748 PolarHBondContact NE2-OD1 3.32Å; Q744-D748 PolarHBondContact O-N 3.13Å; D748-V750 VanDerWaalsContact C-N 3.34Å; D748-K753 PolarHBondContact O-NZ 3.45Å
749	K	84.7	Confident	89.4	Confident	100 Å²	100	67.9 Å²	67.9	44%	0.435	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.7	176	-67.4	-172.1	178.3	-172.8	0	114.7	Y745 Y746 I747 Q787	Y745-K749 HydrophobicContact CE1-CD 4.25Å; Y745-K749 WeakPolarHBondContact OH-CE 3.33Å; Y745-K749 PolarHBondContact OH-NZ 3.35Å; Y746-K749 PolarHBondContact O-N 3.08Å; I747-K749 PolarHBondContact O-N 2.88Å; I747-K749 VanDerWaalsContact O-N 3.13Å; K749-Q787 PolarHBondContact O-NE2 3.34Å
750	V	88.4	Confident	89.9	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.042	32%	0.322	C	S	.	.	S	Bend	trans	-95.9	120.8	175.4	-178.2	0	0	0	0	107.5	I747 D748 L752 K753 R754 G785 Q787	I747-V750 PolarHBondContact O-N 2.71Å; D748-V750 VanDerWaalsContact C-N 3.34Å; V750-L752 VanDerWaalsContact C-N 3.26Å; V750-L752 HydrophobicContact CG1-CB 4.27Å; V750-L752 PolarHBondContact O-N 3.47Å; V750-K753 WeakPolarHBondContact O-CA 3.4Å; V750-K753 WeakPolarHBondContact O-CD 3.44Å; V750-K753 PolarHBondContact O-N 3.21Å; V750-R754 WeakPolarHBondContact CG1-O 3.22Å; V750-G785 VanDerWaalsContact CG1-O 3.29Å; V750-G785 WeakPolarHBondContact CG1-O 3.35Å; V750-Q787 HydrophobicContact CG2-CB 4.32Å
751	P	87	Confident	90.4	Very high	80 Å²	80	60.6 Å²	60.6	52%	0.519	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-38.8	175.9	-32.4	37.3	0	0	0	114.5	K753 G785 G786	P751-K753 PolarHBondContact O-N 2.89Å; P751-G785 VanDerWaalsContact CD-O 3.23Å; P751-G785 WeakPolarHBondContact CD-O 3.49Å; P751-G786 VanDerWaalsContact CD-C 3.41Å; P751-G786 WeakPolarHBondContact CG-O 3.3Å
752	L	90.7	Very high	90.8	Very high	115 Å²	115	56.6 Å²	56.6	60%	0.602	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	1	173.3	-66.7	-175.1	0	0	0	114.9	V750 R754 G785	V750-L752 VanDerWaalsContact C-N 3.26Å; V750-L752 HydrophobicContact CG1-CB 4.27Å; V750-L752 PolarHBondContact O-N 3.47Å; L752-R754 PolarHBondContact O-N 3.29Å; L752-R754 VanDerWaalsContact O-N 3.1Å; L752-G785 PolarHBondContact N-O 3.22Å; L752-G785 VanDerWaalsContact N-O 3.11Å
753	K	89.3	Confident	91.3	Very high	127 Å²	127	60.7 Å²	60.7	55%	0.552	29%	0.294	S	S	*	.	S	Bend	trans	52.4	33.8	175.4	-56.9	-62.5	174.1	179.9	0	115.1	I747 D748 V750 P751	I747-K753 VanDerWaalsContact CG2-O 3.27Å; I747-K753 WeakPolarHBondContact CG2-O 3.47Å; D748-K753 PolarHBondContact O-NZ 3.45Å; V750-K753 WeakPolarHBondContact O-CA 3.4Å; V750-K753 WeakPolarHBondContact O-CD 3.44Å; V750-K753 PolarHBondContact O-N 3.21Å; P751-K753 PolarHBondContact O-N 2.89Å
754	R	91.9	Very high	91.6	Very high	103 Å²	103	60.3 Å²	60.3	39%	0.389	29%	0.293	S	S	.	.	S	Bend	trans	-147.1	160.4	169.3	64.6	176	-172.9	84.6	-7	111.4	V750 L752 D760	V750-R754 WeakPolarHBondContact CG1-O 3.22Å; L752-R754 PolarHBondContact O-N 3.29Å; L752-R754 VanDerWaalsContact O-N 3.1Å; R754-D760 IonicContact CZ-OD1 3.25Å; R754-D760 IonicContact CZ-OD2 2.84Å; R754-D760 IonicContact NH1-OD1 3.2Å; R754-D760 IonicContact NH1-OD2 3.67Å; R754-D760 PolarHBondContact NH1-OD2 3Å; R754-D760 IonicContact NH2-OD1 2.68Å; R754-D760 PolarHBondContact NH2-OD1 3.23Å; R754-D760 IonicContact NH2-OD2 2.92Å; R754-D760 PolarHBondContact NH2-OD2 2.83Å
755	G	85.4	Confident	92	Very high	11 Å²	11	55.4 Å²	55.4	11%	0.113	27%	0.271	C	S	.	.			trans	-67.7	163.9	168.3	0	0	0	0	0	112
756	C	92.2	Very high	92.2	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.081	26%	0.264	C	S	.	.			trans	-77.8	133.1	167.7	-177	0	0	0	0	108.1	N717 L718	N717-C756 PolarHBondContact O-N 2.96Å; N717-C756 VanDerWaalsContact O-N 3.11Å; L718-C756 WeakPolarHBondContact CA-O 3.24Å; L718-C756 HydrophobicContact CD2-CB 4.14Å; L718-C756 VanDerWaalsContact CD2-O 3.29Å; L718-C756 WeakPolarHBondContact CD2-O 2.96Å
757	D	93.2	Very high	92.6	Very high	65 Å²	65	56.2 Å²	56.2	35%	0.348	28%	0.278	S	S	.	.			trans	-107.4	163.7	177	-71.2	-44.7	0	0	0	110.7	Q759 D760 V761	D757-Q759 PolarHBondContact O-N 3.41Å; D757-D760 PolarHBondContact N-OD2 2.83Å; D757-D760 WeakPolarHBondContact O-CB 3.42Å; D757-D760 PolarHBondContact O-N 3.27Å; D757-D760 VanDerWaalsContact O-N 3.1Å; D757-V761 PolarHBondContact O-N 3.5Å
758	Y	95.9	Very high	92.8	Very high	49 Å²	49	56.1 Å²	56.1	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-32.1	-178.7	-64.6	-10.6	0	0	0	112.8	L545 F548 L718 D760 V761 L762	L545-Y758 HydrophobicContact CB-CD1 4.17Å; L545-Y758 HydrophobicContact CB-CE1 3.88Å; L545-Y758 HydrophobicContact CD1-CD1 3.61Å; L545-Y758 HydrophobicContact CD1-CE1 4.2Å; L545-Y758 HydrophobicContact CD1-CG 3.83Å; L545-Y758 HydrophobicContact CG-CD1 4.45Å; L545-Y758 PolarHBondContact N-OH 2.87Å; F548-Y758 HydrophobicContact CB-CD2 3.76Å; F548-Y758 HydrophobicContact CB-CG 4.38Å; F548-Y758 VanDerWaalsContact CD1-CB 3.48Å; F548-Y758 HydrophobicContact CD1-CG 4.44Å; F548-Y758 HydrophobicContact CD2-CD2 4.12Å; F548-Y758 AromaticContact CG-CD2 3.87Å; F548-Y758 HydrophobicContact CG-CD2 3.87Å; F548-Y758 HydrophobicContact CG-CG 4.26Å; L718-Y758 HydrophobicContact CB-CE1 4.45Å; L718-Y758 HydrophobicContact CD1-CD1 4.37Å; L718-Y758 HydrophobicContact CD1-CE1 4.02Å; L718-Y758 HydrophobicContact CD2-CD1 3.93Å; L718-Y758 HydrophobicContact CD2-CE1 4.19Å; L718-Y758 HydrophobicContact CG-CE1 4.45Å; Y758-D760 VanDerWaalsContact C-N 3.35Å; Y758-D760 PolarHBondContact O-N 2.89Å; Y758-V761 WeakPolarHBondContact O-CB 3.33Å; Y758-V761 PolarHBondContact O-N 2.87Å; Y758-L762 PolarHBondContact O-N 3.28Å
759	Q	96	Very high	93	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-37.4	175	-168.4	63.9	46.9	0	0	112.5	D757 V761 L762 N763	D757-Q759 PolarHBondContact O-N 3.41Å; Q759-V761 PolarHBondContact O-N 3.18Å; Q759-L762 PolarHBondContact O-N 2.92Å; Q759-N763 PolarHBondContact NE2-OD1 3.44Å; Q759-N763 WeakPolarHBondContact O-CB 3.32Å; Q759-N763 PolarHBondContact O-N 3.28Å; Q759-N763 PolarHBondContact O-ND2 3.47Å; Q759-N763 PolarHBondContact O-OD1 2.85Å
760	D	96.1	Very high	93	Very high	37 Å²	37	49 Å²	49	20%	0.198	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-36.3	176.3	-61.1	-55.3	0	0	0	110.9	R754 D757 Y758 M764 V783	R754-D760 IonicContact CZ-OD1 3.25Å; R754-D760 IonicContact CZ-OD2 2.84Å; R754-D760 IonicContact NH1-OD1 3.2Å; R754-D760 IonicContact NH1-OD2 3.67Å; R754-D760 PolarHBondContact NH1-OD2 3Å; R754-D760 IonicContact NH2-OD1 2.68Å; R754-D760 PolarHBondContact NH2-OD1 3.23Å; R754-D760 IonicContact NH2-OD2 2.92Å; R754-D760 PolarHBondContact NH2-OD2 2.83Å; D757-D760 PolarHBondContact N-OD2 2.83Å; D757-D760 WeakPolarHBondContact O-CB 3.42Å; D757-D760 PolarHBondContact O-N 3.27Å; D757-D760 VanDerWaalsContact O-N 3.1Å; Y758-D760 VanDerWaalsContact C-N 3.35Å; Y758-D760 PolarHBondContact O-N 2.89Å; D760-M764 WeakPolarHBondContact O-CG 3.31Å; D760-M764 PolarHBondContact O-N 3.04Å; D760-V783 HydrophobicContact CB-CG1 4.12Å
761	V	97.4	Very high	92.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-46.9	176.7	-173.3	0	0	0	0	110.9	L545 L549 I670 L713 L715 L718 D757 Y758 Q759 N763 M764 L765	L545-V761 HydrophobicContact CD1-CB 4.03Å; L545-V761 HydrophobicContact CD1-CG1 4.11Å; L545-V761 HydrophobicContact CD1-CG2 4.14Å; L545-V761 HydrophobicContact CD2-CG1 4.37Å; L549-V761 HydrophobicContact CD1-CG1 4.49Å; L549-V761 HydrophobicContact CD2-CG1 4.2Å; I670-V761 HydrophobicContact CD1-CG1 4.1Å; L713-V761 HydrophobicContact CD1-CG1 4.38Å; L715-V761 HydrophobicContact CD1-CG1 4.07Å; L715-V761 HydrophobicContact CD1-CG2 3.67Å; L715-V761 HydrophobicContact CD2-CB 4.35Å; L715-V761 HydrophobicContact CD2-CG1 3.92Å; L715-V761 HydrophobicContact CD2-CG2 3.74Å; L715-V761 HydrophobicContact CG-CG2 4.32Å; L718-V761 HydrophobicContact CD2-CG2 4.2Å; D757-V761 PolarHBondContact O-N 3.5Å; Y758-V761 WeakPolarHBondContact O-CB 3.33Å; Y758-V761 PolarHBondContact O-N 2.87Å; Q759-V761 PolarHBondContact O-N 3.18Å; V761-N763 PolarHBondContact O-N 3.5Å; V761-M764 PolarHBondContact O-N 2.8Å; V761-L765 WeakPolarHBondContact O-CB 3.34Å; V761-L765 PolarHBondContact O-N 3.32Å
762	L	97.3	Very high	92.4	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-46.7	179.6	178.6	60.3	0	0	0	111.2	F548 L549 Y758 Q759 M764 L765 L766	F548-L762 HydrophobicContact CD1-CD2 4.46Å; F548-L762 HydrophobicContact CE1-CB 4.1Å; F548-L762 HydrophobicContact CE1-CD2 3.84Å; L549-L762 HydrophobicContact CD2-CB 3.97Å; L549-L762 HydrophobicContact CD2-CD1 4.06Å; Y758-L762 PolarHBondContact O-N 3.28Å; Q759-L762 PolarHBondContact O-N 2.92Å; L762-M764 VanDerWaalsContact C-N 3.27Å; L762-M764 PolarHBondContact O-N 2.88Å; L762-L765 HydrophobicContact CD1-CD2 4.46Å; L762-L765 WeakPolarHBondContact O-CB 3.31Å; L762-L765 PolarHBondContact O-N 2.83Å; L762-L765 VanDerWaalsContact O-N 3.09Å; L762-L766 HydrophobicContact CD1-CD1 4.07Å; L762-L766 HydrophobicContact CD1-CD2 4.17Å; L762-L766 HydrophobicContact CD1-CG 3.89Å; L762-L766 HydrophobicContact CG-CD1 4.04Å; L762-L766 HydrophobicContact CG-CG 4.27Å; L762-L766 WeakPolarHBondContact O-CG 3.22Å; L762-L766 PolarHBondContact O-N 3.4Å
763	N	96.9	Very high	92.3	Very high	85 Å²	85	49.1 Å²	49.1	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-55.8	-43.5	178.5	-68	-7.9	0	0	0	111.9	Q759 V761 F767	Q759-N763 PolarHBondContact NE2-OD1 3.44Å; Q759-N763 WeakPolarHBondContact O-CB 3.32Å; Q759-N763 PolarHBondContact O-N 3.28Å; Q759-N763 PolarHBondContact O-ND2 3.47Å; Q759-N763 PolarHBondContact O-OD1 2.85Å; V761-N763 PolarHBondContact O-N 3.5Å; N763-F767 PolarHBondContact O-N 2.94Å
764	M	97.1	Very high	92.2	Very high	54 Å²	54	46.7 Å²	46.7	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-72.3	-36.5	177.8	-69.7	-57.7	-44.2	0	0	112.7	L713 D760 V761 L762 Y768 I781 V783	L713-M764 HydrophobicContact CD1-CB 4.32Å; L713-M764 HydrophobicContact CD2-CB 4.29Å; D760-M764 WeakPolarHBondContact O-CG 3.31Å; D760-M764 PolarHBondContact O-N 3.04Å; V761-M764 PolarHBondContact O-N 2.8Å; L762-M764 VanDerWaalsContact C-N 3.27Å; L762-M764 PolarHBondContact O-N 2.88Å; M764-Y768 HydrophobicContact CE-CD2 3.85Å; M764-Y768 HydrophobicContact CE-CE2 3.47Å; M764-Y768 VanDerWaalsContact CE-CE2 3.47Å; M764-Y768 WeakPolarHBondContact O-CD2 3.39Å; M764-Y768 PolarHBondContact O-N 3.46Å; M764-Y768 VanDerWaalsContact O-N 3.16Å; M764-I781 HydrophobicContact CE-CG2 3.73Å; M764-V783 HydrophobicContact CB-CG2 4.13Å; M764-V783 HydrophobicContact CG-CG1 4.28Å; M764-V783 HydrophobicContact CG-CG2 3.81Å
765	L	97.6	Very high	92.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-49.6	174.3	175.3	67.5	0	0	0	110.8	L549 L553 V617 I668 L713 V761 L762 F767 Y768 A769	L549-L765 HydrophobicContact CB-CD2 4.15Å; L549-L765 HydrophobicContact CD1-CD2 4.17Å; L549-L765 HydrophobicContact CD2-CD2 3.83Å; L549-L765 HydrophobicContact CG-CD2 4.24Å; L553-L765 HydrophobicContact CD1-CD2 4.21Å; L553-L765 HydrophobicContact CD2-CD2 4.3Å; L553-L765 HydrophobicContact CG-CD2 4.29Å; V617-L765 HydrophobicContact CG1-CD1 4.23Å; V617-L765 HydrophobicContact CG2-CD1 3.76Å; V617-L765 HydrophobicContact CG2-CD2 4.22Å; I668-L765 HydrophobicContact CB-CD1 4.13Å; I668-L765 HydrophobicContact CD1-CD1 3.7Å; I668-L765 HydrophobicContact CG1-CD1 4.48Å; I668-L765 HydrophobicContact CG2-CD1 3.9Å; L713-L765 HydrophobicContact CD1-CB 4.13Å; V761-L765 WeakPolarHBondContact O-CB 3.34Å; V761-L765 PolarHBondContact O-N 3.32Å; L762-L765 HydrophobicContact CD1-CD2 4.46Å; L762-L765 WeakPolarHBondContact O-CB 3.31Å; L762-L765 PolarHBondContact O-N 2.83Å; L762-L765 VanDerWaalsContact O-N 3.09Å; L765-F767 PolarHBondContact O-N 3.4Å; L765-Y768 PolarHBondContact O-N 3.31Å; L765-A769 VanDerWaalsContact O-CB 3.24Å; L765-A769 WeakPolarHBondContact O-CB 3.24Å; L765-A769 PolarHBondContact O-N 3.24Å
766	L	93.9	Very high	92.5	Very high	35 Å²	35	54.2 Å²	54.2	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-42.2	-178.9	-66.5	179.2	0	0	0	111.8	L553 E556 L762 A769 S770	L553-L766 HydrophobicContact CD2-CD2 3.95Å; E556-L766 HydrophobicContact CB-CD2 4.34Å; E556-L766 HydrophobicContact CG-CD1 3.69Å; E556-L766 HydrophobicContact CG-CD2 3.7Å; E556-L766 HydrophobicContact CG-CG 4.31Å; L762-L766 HydrophobicContact CD1-CD1 4.07Å; L762-L766 HydrophobicContact CD1-CD2 4.17Å; L762-L766 HydrophobicContact CD1-CG 3.89Å; L762-L766 HydrophobicContact CG-CD1 4.04Å; L762-L766 HydrophobicContact CG-CG 4.27Å; L762-L766 WeakPolarHBondContact O-CG 3.22Å; L762-L766 PolarHBondContact O-N 3.4Å; L766-A769 PolarHBondContact O-N 3.14Å; L766-S770 WeakPolarHBondContact O-CB 3.43Å; L766-S770 PolarHBondContact O-N 3.23Å
767	F	94.9	Very high	92.7	Very high	85 Å²	85	55.9 Å²	55.9	37%	0.373	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-50.4	175	177.7	-98.7	0	0	0	112.3	N763 L765 A769 S770 K772 A773	N763-F767 PolarHBondContact O-N 2.94Å; L765-F767 PolarHBondContact O-N 3.4Å; F767-A769 VanDerWaalsContact C-N 3.32Å; F767-A769 PolarHBondContact O-N 3.15Å; F767-S770 PolarHBondContact O-N 3.18Å; F767-S770 PolarHBondContact O-OG 3.34Å; F767-K772 HydrophobicContact CD2-CB 4.17Å; F767-K772 HydrophobicContact CE2-CB 3.76Å; F767-A773 HydrophobicContact CD1-CB 4.35Å; F767-A773 HydrophobicContact CE1-CB 4.03Å; F767-A773 HydrophobicContact CZ-CB 4.46Å
768	Y	95.7	Very high	92.9	Very high	29 Å²	29	53.3 Å²	53.3	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-75.2	-18.1	-179	-82.7	-75.4	0	0	0	114.4	H711 L713 M764 L765 A773 C776 I781	H711-Y768 AromaticContact CD2-CD1 3.67Å; H711-Y768 AromaticContact CE1-CD1 3.73Å; H711-Y768 AromaticContact CE1-CE1 3.86Å; H711-Y768 AromaticContact CG-CD1 3.79Å; H711-Y768 AromaticContact ND1-CD1 3.86Å; H711-Y768 AromaticContact NE2-CD1 3.62Å; L713-Y768 HydrophobicContact CD2-CD2 4.22Å; M764-Y768 HydrophobicContact CE-CD2 3.85Å; M764-Y768 HydrophobicContact CE-CE2 3.47Å; M764-Y768 VanDerWaalsContact CE-CE2 3.47Å; M764-Y768 WeakPolarHBondContact O-CD2 3.39Å; M764-Y768 PolarHBondContact O-N 3.46Å; M764-Y768 VanDerWaalsContact O-N 3.16Å; L765-Y768 PolarHBondContact O-N 3.31Å; Y768-A773 HydrophobicContact CD1-CB 3.8Å; Y768-A773 HydrophobicContact CE1-CB 4.23Å; Y768-A773 HydrophobicContact CG-CB 4.43Å; Y768-C776 HydrophobicContact CE1-CB 3.97Å; Y768-I781 HydrophobicContact CD1-CD1 4.27Å; Y768-I781 HydrophobicContact CD2-CD1 4.1Å; Y768-I781 HydrophobicContact CD2-CG1 4.32Å; Y768-I781 HydrophobicContact CE1-CD1 3.92Å; Y768-I781 HydrophobicContact CE1-CG1 4.2Å; Y768-I781 HydrophobicContact CE2-CB 4.16Å; Y768-I781 HydrophobicContact CE2-CD1 3.73Å; Y768-I781 HydrophobicContact CE2-CG1 3.51Å; Y768-I781 HydrophobicContact CE2-CG2 3.99Å; Y768-I781 HydrophobicContact CG-CD1 4.37Å; Y768-I781 VanDerWaalsContact CZ-CG1 3.46Å; Y768-I781 WeakPolarHBondContact OH-CG1 3.2Å
769	A	92.2	Very high	92.9	Very high	7 Å²	7	55.7 Å²	55.7	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-78.8	-26.9	169.5	0	0	0	0	0	112.1	L615 I668 L765 L766 F767	L615-A769 HydrophobicContact CD1-CB 4.14Å; L615-A769 HydrophobicContact CD2-CB 3.89Å; I668-A769 HydrophobicContact CD1-CB 4.36Å; L765-A769 VanDerWaalsContact O-CB 3.24Å; L765-A769 WeakPolarHBondContact O-CB 3.24Å; L765-A769 PolarHBondContact O-N 3.24Å; L766-A769 PolarHBondContact O-N 3.14Å; F767-A769 VanDerWaalsContact C-N 3.32Å; F767-A769 PolarHBondContact O-N 3.15Å
770	S	84.6	Confident	92.9	Very high	26 Å²	26	52.2 Å²	52.2	18%	0.182	27%	0.268	C	S	.	.	S	Bend	trans	-78.4	164.1	-176.5	79.5	0	0	0	0	113.9	L766 F767 K772 A773	L766-S770 WeakPolarHBondContact O-CB 3.43Å; L766-S770 PolarHBondContact O-N 3.23Å; F767-S770 PolarHBondContact O-N 3.18Å; F767-S770 PolarHBondContact O-OG 3.34Å; S770-K772 PolarHBondContact O-N 2.93Å; S770-K772 WeakPolarHBondContact OG-CB 3.29Å; S770-K772 PolarHBondContact OG-N 2.93Å; S770-A773 PolarHBondContact O-N 3.01Å
771	P	79.4	Confident	92.8	Very high	67 Å²	67	51.5 Å²	51.5	44%	0.435	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.5	-19.9	169.3	-21.5	31	0	0	0	114.3	D529 A773 S774	D529-P771 HydrophobicContact CB-CG 4.48Å; D529-P771 WeakPolarHBondContact OD2-CG 3.43Å; P771-A773 PolarHBondContact O-N 3.08Å; P771-A773 VanDerWaalsContact O-N 3.08Å; P771-S774 WeakPolarHBondContact O-CB 3.25Å; P771-S774 PolarHBondContact O-N 3.04Å; P771-S774 PolarHBondContact O-OG 3.34Å; P771-S774 VanDerWaalsContact O-OG 3.08Å
772	K	83.5	Confident	92.6	Very high	138 Å²	138	53.7 Å²	53.7	60%	0.6	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-61.9	-19.4	178.6	-55.3	-171	177.8	-161.8	0	112.6	D528 F767 S770	D528-K772 VanDerWaalsContact OD2-CE 3.29Å; D528-K772 WeakPolarHBondContact OD2-CE 3.4Å; D528-K772 IonicContact OD2-NZ 3.78Å; D528-K772 PolarHBondContact OD2-NZ 3.23Å; F767-K772 HydrophobicContact CD2-CB 4.17Å; F767-K772 HydrophobicContact CE2-CB 3.76Å; S770-K772 PolarHBondContact O-N 2.93Å; S770-K772 WeakPolarHBondContact OG-CB 3.29Å; S770-K772 PolarHBondContact OG-N 2.93Å
773	A	88.6	Confident	92.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-104.7	17.2	174.2	0	0	0	0	0	113.5	F767 Y768 S770 P771 Y775 C776	F767-A773 HydrophobicContact CD1-CB 4.35Å; F767-A773 HydrophobicContact CE1-CB 4.03Å; F767-A773 HydrophobicContact CZ-CB 4.46Å; Y768-A773 HydrophobicContact CD1-CB 3.8Å; Y768-A773 HydrophobicContact CE1-CB 4.23Å; Y768-A773 HydrophobicContact CG-CB 4.43Å; S770-A773 PolarHBondContact O-N 3.01Å; P771-A773 PolarHBondContact O-N 3.08Å; P771-A773 VanDerWaalsContact O-N 3.08Å; A773-Y775 VanDerWaalsContact C-N 3.28Å; A773-Y775 PolarHBondContact O-N 3.19Å; A773-C776 HydrophobicContact CB-CB 4.35Å; A773-C776 WeakPolarHBondContact O-CA 3.26Å; A773-C776 VanDerWaalsContact O-CB 3.3Å; A773-C776 WeakPolarHBondContact O-CB 3.38Å; A773-C776 PolarHBondContact O-N 2.85Å
774	S	85.9	Confident	92.3	Very high	76 Å²	76	50.2 Å²	50.2	53%	0.531	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.2	-174.2	59.1	0	0	0	0	114.2	P771 C776	P771-S774 WeakPolarHBondContact O-CB 3.25Å; P771-S774 PolarHBondContact O-N 3.04Å; P771-S774 PolarHBondContact O-OG 3.34Å; P771-S774 VanDerWaalsContact O-OG 3.08Å; S774-C776 VanDerWaalsContact C-N 3.28Å; S774-C776 PolarHBondContact O-N 3.26Å
775	Y	91.3	Very high	91.9	Very high	231 Å²	231	48.8 Å²	48.8	91%	0.906	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	7.5	176.2	-156.3	-115.8	0	0	0	113.9	A773	A773-Y775 VanDerWaalsContact C-N 3.28Å; A773-Y775 PolarHBondContact O-N 3.19Å
776	C	92.6	Very high	91.4	Very high	40 Å²	40	50.2 Å²	50.2	27%	0.27	27%	0.272	S	S	.	.			trans	-103.7	128.4	175	-61.5	0	0	0	0	109.4	T709 H711 Y768 A773 S774	T709-C776 WeakPolarHBondContact CB-O 3.35Å; T709-C776 WeakPolarHBondContact CG2-O 3.5Å; H711-C776 PolarHBondContact CE1-O 3.11Å; H711-C776 PolarHBondContact NE2-O 2.81Å; Y768-C776 HydrophobicContact CE1-CB 3.97Å; A773-C776 HydrophobicContact CB-CB 4.35Å; A773-C776 WeakPolarHBondContact O-CA 3.26Å; A773-C776 VanDerWaalsContact O-CB 3.3Å; A773-C776 WeakPolarHBondContact O-CB 3.38Å; A773-C776 PolarHBondContact O-N 2.85Å; S774-C776 VanDerWaalsContact C-N 3.28Å; S774-C776 PolarHBondContact O-N 3.26Å
777	T	97.2	Very high	90.8	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.288	27%	0.272	S	S	.	.			trans	-149.6	158.6	164.9	-166.2	0	0	0	0	110.7	A700 T709 V710 H711 Q779	A700-T777 HydrophobicContact CB-CG2 4.33Å; A700-T777 WeakPolarHBondContact CB-OG1 3.36Å; T709-T777 WeakPolarHBondContact CA-OG1 3.45Å; V710-T777 PolarHBondContact N-OG1 3.41Å; V710-T777 VanDerWaalsContact N-OG1 3.1Å; H711-T777 WeakPolarHBondContact CE1-CA 3.22Å; T777-Q779 PolarHBondContact O-N 3.13Å; T777-Q779 PolarHBondContact O-NE2 2.82Å
778	G	96.7	Very high	90.1	Very high	12 Å²	12	47.4 Å²	47.4	12%	0.124	26%	0.261	C	S	.	.	S	Bend	trans	71.5	13.2	179.7	0	0	0	0	0	115.1	A700 V710	A700-G778 VanDerWaalsContact CB-N 3.31Å; V710-G778 WeakPolarHBondContact O-CA 3.23Å; V710-G778 PolarHBondContact O-N 2.96Å
779	Q	96.5	Very high	88.9	Confident	98 Å²	98	52.5 Å²	52.5	46%	0.458	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.2	-172.2	-55.3	-55.4	-50.3	0	0	112.9	H711 S712 T777 I781	H711-Q779 CarbonylContact C-O 3.52Å; H711-Q779 WeakPolarHBondContact CA-O 3.4Å; S712-Q779 PolarHBondContact N-O 3.29Å; S712-Q779 PolarHBondContact OG-O 3.21Å; T777-Q779 PolarHBondContact O-N 3.13Å; T777-Q779 PolarHBondContact O-NE2 2.82Å; Q779-I781 HydrophobicContact CB-CD1 3.75Å; Q779-I781 HydrophobicContact CB-CG1 4.13Å
780	S	94.6	Very high	87.3	Confident	19 Å²	19	57.3 Å²	57.3	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	103.8	169.2	-60.7	0	0	0	0	109.9	V693 S712	V693-S780 WeakPolarHBondContact CG1-OG 3.23Å; S712-S780 CarbonylContact O-C 3.46Å; S712-S780 WeakPolarHBondContact O-CA 3.13Å; S712-S780 VanDerWaalsContact OG-CA 3.31Å; S712-S780 WeakPolarHBondContact OG-CA 3.48Å; S712-S780 VanDerWaalsContact OG-CB 3.32Å; S712-S780 WeakPolarHBondContact OG-CB 3.42Å; S712-S780 PolarHBondContact OG-OG 3.48Å
781	I	95.3	Very high	86.2	Confident	23 Å²	23	61.1 Å²	61.1	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.6	-163.6	-55.9	98.2	0	0	0	111.2	H711 S712 L713 M714 M764 Y768 Q779 V783	H711-I781 HydrophobicContact CB-CD1 4.05Å; S712-I781 PolarHBondContact O-N 2.92Å; L713-I781 HydrophobicContact CD2-CB 4.2Å; L713-I781 HydrophobicContact CD2-CD1 4.19Å; M714-I781 WeakPolarHBondContact CA-O 3.29Å; M714-I781 VanDerWaalsContact CB-O 3.31Å; M714-I781 WeakPolarHBondContact CB-O 3.4Å; M714-I781 PolarHBondContact N-O 3.43Å; M764-I781 HydrophobicContact CE-CG2 3.73Å; Y768-I781 HydrophobicContact CD1-CD1 4.27Å; Y768-I781 HydrophobicContact CD2-CD1 4.1Å; Y768-I781 HydrophobicContact CD2-CG1 4.32Å; Y768-I781 HydrophobicContact CE1-CD1 3.92Å; Y768-I781 HydrophobicContact CE1-CG1 4.2Å; Y768-I781 HydrophobicContact CE2-CB 4.16Å; Y768-I781 HydrophobicContact CE2-CD1 3.73Å; Y768-I781 HydrophobicContact CE2-CG1 3.51Å; Y768-I781 HydrophobicContact CE2-CG2 3.99Å; Y768-I781 HydrophobicContact CG-CD1 4.37Å; Y768-I781 VanDerWaalsContact CZ-CG1 3.46Å; Y768-I781 WeakPolarHBondContact OH-CG1 3.2Å; Q779-I781 HydrophobicContact CB-CD1 3.75Å; Q779-I781 HydrophobicContact CB-CG1 4.13Å; I781-V783 PolarHBondContact O-N 3.3Å
782	N	93.4	Very high	85.7	Confident	45 Å²	45	62 Å²	62	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.2	-177.8	-66.8	-26.8	0	0	0	111.6	T784 V788	N782-T784 HydrophobicContact CB-CG2 4.11Å; N782-V788 PolarHBondContact ND2-O 2.84Å; N782-V788 VanDerWaalsContact ND2-O 3.16Å
783	V	94.6	Very high	85.3	Confident	15 Å²	15	62.5 Å²	62.5	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	60.2	170.2	-164.7	0	0	0	0	108.6	M714 L715 G716 D760 M764 I781	M714-V783 PolarHBondContact O-N 3.17Å; L715-V783 HydrophobicContact CD2-CB 3.85Å; L715-V783 HydrophobicContact CD2-CG1 4.43Å; L715-V783 HydrophobicContact CD2-CG2 4Å; G716-V783 PolarHBondContact N-O 3.41Å; D760-V783 HydrophobicContact CB-CG1 4.12Å; M764-V783 HydrophobicContact CB-CG2 4.13Å; M764-V783 HydrophobicContact CG-CG1 4.28Å; M764-V783 HydrophobicContact CG-CG2 3.81Å; I781-V783 PolarHBondContact O-N 3.3Å
784	T	92.2	Very high	84.7	Confident	7 Å²	7	66 Å²	66	4%	0.043	37%	0.365	C	S	.	.	S	Bend	trans	-121.2	3.6	-163.5	70.7	0	0	0	0	115	K673 M714 N782 G786 Q787 V788	K673-T784 HydrophobicContact CB-CG2 4Å; M714-T784 VanDerWaalsContact O-CG2 3.26Å; M714-T784 WeakPolarHBondContact O-CG2 3.44Å; N782-T784 HydrophobicContact CB-CG2 4.11Å; T784-G786 PolarHBondContact O-N 3.42Å; T784-Q787 VanDerWaalsContact O-CB 3.28Å; T784-Q787 WeakPolarHBondContact O-CB 3.2Å; T784-Q787 PolarHBondContact O-N 3.16Å; T784-Q787 VanDerWaalsContact O-N 3.08Å; T784-Q787 PolarHBondContact OG1-N 2.99Å; T784-V788 HydrophobicContact CG2-CB 4.35Å; T784-V788 PolarHBondContact OG1-N 3.47Å; T784-V788 PolarHBondContact OG1-O 3.19Å
785	G	90.3	Very high	84.2	Confident	24 Å²	24	72.4 Å²	72.4	25%	0.247	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	27.1	-176.1	0	0	0	0	0	114.3	V750 P751 L752	V750-G785 VanDerWaalsContact CG1-O 3.29Å; V750-G785 WeakPolarHBondContact CG1-O 3.35Å; P751-G785 VanDerWaalsContact CD-O 3.23Å; P751-G785 WeakPolarHBondContact CD-O 3.49Å; L752-G785 PolarHBondContact N-O 3.22Å; L752-G785 VanDerWaalsContact N-O 3.11Å
786	G	86.2	Confident	83.3	Confident	31 Å²	31	67 Å²	67	32%	0.32	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	0.1	-177.4	0	0	0	0	0	115	P751 T784 V788	P751-G786 VanDerWaalsContact CD-C 3.41Å; P751-G786 WeakPolarHBondContact CG-O 3.3Å; T784-G786 PolarHBondContact O-N 3.42Å; G786-V788 PolarHBondContact O-N 3.02Å
787	Q	82.4	Confident	83.1	Confident	39 Å²	39	65.9 Å²	65.9	18%	0.182	35%	0.351	C	S	.	.	S	Bend	trans	-67.2	-24.5	-178.7	-177.9	168	66.1	0	0	113.2	N717 K749 V750 T784	N717-Q787 PolarHBondContact ND2-OE1 3.23Å; K749-Q787 PolarHBondContact O-NE2 3.34Å; V750-Q787 HydrophobicContact CG2-CB 4.32Å; T784-Q787 VanDerWaalsContact O-CB 3.28Å; T784-Q787 WeakPolarHBondContact O-CB 3.2Å; T784-Q787 PolarHBondContact O-N 3.16Å; T784-Q787 VanDerWaalsContact O-N 3.08Å; T784-Q787 PolarHBondContact OG1-N 2.99Å
788	V	78.9	Confident	82.6	Confident	22 Å²	22	64.8 Å²	64.8	13%	0.133	34%	0.343	C	S	.	.	S	Bend	trans	-128.7	118.1	169.1	179.9	0	0	0	0	108	K673 K676 V677 N782 T784 G786	K673-V788 HydrophobicContact CB-CG2 3.84Å; K676-V788 HydrophobicContact CB-CG1 4.15Å; V677-V788 HydrophobicContact CG2-CG1 4.4Å; V677-V788 HydrophobicContact CG2-CG2 4.32Å; N782-V788 PolarHBondContact ND2-O 2.84Å; N782-V788 VanDerWaalsContact ND2-O 3.16Å; T784-V788 HydrophobicContact CG2-CB 4.35Å; T784-V788 PolarHBondContact OG1-N 3.47Å; T784-V788 PolarHBondContact OG1-O 3.19Å; G786-V788 PolarHBondContact O-N 3.02Å
789	I	70.6	Confident	81.7	Confident	135 Å²	135	66.1 Å²	66.1	69%	0.692	35%	0.353	S	S	*	.			trans	-106.3	139.6	176.1	-56.4	177	0	0	0	107.8
790	T	59.6	Low	81	Confident	109 Å²	109	62.6 Å²	62.6	67%	0.669	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59	124.1	173.5	-57.5	0	0	0	0	108.8	M792	T790-M792 PolarHBondContact O-N 3.46Å
791	P	60.1	Low	80.8	Confident	106 Å²	106	61.7 Å²	61.7	69%	0.688	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-62.7	139.1	-178	22.2	-30.9	0	0	0	110.9	K793	P791-K793 PolarHBondContact O-N 3.43Å
792	M	70	Confident	80.2	Confident	84 Å²	84	61.8 Å²	61.8	41%	0.414	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-51.1	132.7	178.4	-173.3	-178.5	-75.3	0	0	111.3	T790 Q796 R797 A800 F820	T790-M792 PolarHBondContact O-N 3.46Å; M792-Q796 HydrophobicContact CG-CB 3.79Å; M792-Q796 HydrophobicContact SD-CB 4.38Å; M792-R797 HydrophobicContact CB-CB 4.47Å; M792-R797 HydrophobicContact CG-CB 4Å; M792-R797 PolarHBondContact O-NH1 2.88Å; M792-R797 WeakPolarHBondContact SD-CA 3.49Å; M792-R797 HydrophobicContact SD-CB 3.67Å; M792-R797 HydrophobicContact SD-CG 4.11Å; M792-A800 HydrophobicContact SD-CB 4.31Å; M792-F820 HydrophobicContact CE-CD1 4.27Å; M792-F820 HydrophobicContact CE-CE1 4.35Å; M792-F820 HydrophobicContact SD-CD1 4.11Å; M792-F820 HydrophobicContact SD-CE1 4.17Å
793	K	73.5	Confident	79.5	Confident	149 Å²	149	64.3 Å²	64.3	65%	0.648	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-59.4	147.1	179.1	-70.9	-176.7	179.3	176.3	0	110.1	P791 R795 Q796 R797	P791-K793 PolarHBondContact O-N 3.43Å; K793-R795 PolarHBondContact O-N 3.02Å; K793-Q796 HydrophobicContact CB-CG 4.45Å; K793-Q796 PolarHBondContact O-N 2.81Å; K793-Q796 VanDerWaalsContact O-N 3.12Å; K793-R797 PolarHBondContact O-N 3.32Å
794	P	77.9	Confident	79	Confident	73 Å²	73	65.5 Å²	65.5	47%	0.474	35%	0.348	S	S	.	.	H	α-helix	trans	-52.5	-46.2	-176.7	-28.1	34.7	0	0	0	114.5	R797 Q798	P794-R797 PolarHBondContact O-N 2.81Å; P794-Q798 WeakPolarHBondContact O-CB 3.43Å; P794-Q798 WeakPolarHBondContact O-CG 3.28Å; P794-Q798 PolarHBondContact O-N 3.3Å
795	R	74.6	Confident	78.6	Confident	211 Å²	211	65.2 Å²	65.2	80%	0.796	35%	0.346	S	S	*	.	H	α-helix	trans	-63.3	-41.6	177.9	-85.4	-172	168.8	167.5	-3.7	113.8	K793 R797 Q798 A799	K793-R795 PolarHBondContact O-N 3.02Å; R795-R797 VanDerWaalsContact C-N 3.32Å; R795-Q798 PolarHBondContact O-N 2.7Å; R795-A799 PolarHBondContact O-N 3.05Å
796	Q	72.6	Confident	77.8	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-64.3	-41.7	176.2	-73.1	173.3	-28.4	0	0	110.6	M792 K793 A799 A800	M792-Q796 HydrophobicContact CG-CB 3.79Å; M792-Q796 HydrophobicContact SD-CB 4.38Å; K793-Q796 HydrophobicContact CB-CG 4.45Å; K793-Q796 PolarHBondContact O-N 2.81Å; K793-Q796 VanDerWaalsContact O-N 3.12Å; Q796-A799 PolarHBondContact O-N 3.45Å; Q796-A800 VanDerWaalsContact O-CB 3.31Å; Q796-A800 WeakPolarHBondContact O-CB 3.43Å; Q796-A800 PolarHBondContact O-N 3.29Å
797	R	87.7	Confident	77.3	Confident	16 Å²	16	74.9 Å²	74.9	6%	0.06	37%	0.374	C	S	.	.	H	α-helix	trans	-65.1	-41	175.4	-168.8	169.4	57.7	-104.9	-16.2	111.7	M792 K793 P794 R795 A800 I801 F820 D830	M792-R797 HydrophobicContact CB-CB 4.47Å; M792-R797 HydrophobicContact CG-CB 4Å; M792-R797 PolarHBondContact O-NH1 2.88Å; M792-R797 WeakPolarHBondContact SD-CA 3.49Å; M792-R797 HydrophobicContact SD-CB 3.67Å; M792-R797 HydrophobicContact SD-CG 4.11Å; K793-R797 PolarHBondContact O-N 3.32Å; P794-R797 PolarHBondContact O-N 2.81Å; R795-R797 VanDerWaalsContact C-N 3.32Å; R797-A800 PolarHBondContact O-N 3.38Å; R797-I801 HydrophobicContact CG-CD1 4.04Å; R797-I801 HydrophobicContact CG-CG1 4.4Å; R797-I801 WeakPolarHBondContact O-CB 3.49Å; R797-I801 WeakPolarHBondContact O-CD1 3.42Å; R797-I801 WeakPolarHBondContact O-CG1 3.42Å; R797-I801 PolarHBondContact O-N 3.35Å; R797-F820 HydrophobicContact CG-CD1 4.07Å; R797-F820 HydrophobicContact CG-CD2 4.45Å; R797-F820 HydrophobicContact CG-CE1 4.42Å; R797-F820 HydrophobicContact CG-CG 4.09Å; R797-D830 IonicContact CZ-OD2 2.72Å; R797-D830 IonicContact NE-OD2 3.54Å; R797-D830 PolarHBondContact NE-OD2 3.25Å; R797-D830 IonicContact NH2-OD1 3.51Å; R797-D830 PolarHBondContact NH2-OD1 3.07Å; R797-D830 IonicContact NH2-OD2 2.77Å; R797-D830 PolarHBondContact NH2-OD2 3.37Å
798	Q	86.8	Confident	77.2	Confident	24 Å²	24	78.7 Å²	78.7	11%	0.112	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-46.9	174.9	-74.5	160.5	18.1	0	0	112	P794 R795 I801 L802 D830 L834	P794-Q798 WeakPolarHBondContact O-CB 3.43Å; P794-Q798 WeakPolarHBondContact O-CG 3.28Å; P794-Q798 PolarHBondContact O-N 3.3Å; R795-Q798 PolarHBondContact O-N 2.7Å; Q798-I801 WeakPolarHBondContact O-CB 3.38Å; Q798-I801 PolarHBondContact O-N 3.06Å; Q798-L802 WeakPolarHBondContact O-CG 3.42Å; Q798-L802 PolarHBondContact O-N 3.48Å; Q798-D830 HydrophobicContact CG-CB 3.75Å; Q798-D830 PolarHBondContact NE2-OD1 2.89Å; Q798-L834 HydrophobicContact CB-CD1 4.34Å; Q798-L834 HydrophobicContact CB-CD2 4.07Å; Q798-L834 HydrophobicContact CB-CG 4.35Å; Q798-L834 HydrophobicContact CG-CD1 4.41Å; Q798-L834 HydrophobicContact CG-CD2 4.42Å; Q798-L834 HydrophobicContact CG-CG 4.26Å
799	A	77.8	Confident	77.2	Confident	40 Å²	40	79.6 Å²	79.6	33%	0.331	41%	0.406	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.1	0	0	0	0	0	111.9	R795 Q796 I801 L802 E803	R795-A799 PolarHBondContact O-N 3.05Å; Q796-A799 PolarHBondContact O-N 3.45Å; A799-I801 VanDerWaalsContact C-N 3.31Å; A799-I801 PolarHBondContact O-N 3.17Å; A799-L802 WeakPolarHBondContact O-CB 3.19Å; A799-L802 PolarHBondContact O-N 2.83Å; A799-L802 VanDerWaalsContact O-N 3.13Å; A799-E803 PolarHBondContact O-N 3.31Å
800	A	82.5	Confident	77.9	Confident	24 Å²	24	78.4 Å²	78.4	20%	0.198	40%	0.396	C	S	.	.	H	α-helix	trans	-65.4	-32	176.9	0	0	0	0	0	112.7	M792 Q796 R797 Y804 F820	M792-A800 HydrophobicContact SD-CB 4.31Å; Q796-A800 VanDerWaalsContact O-CB 3.31Å; Q796-A800 WeakPolarHBondContact O-CB 3.43Å; Q796-A800 PolarHBondContact O-N 3.29Å; R797-A800 PolarHBondContact O-N 3.38Å; A800-Y804 VanDerWaalsContact O-CB 3.24Å; A800-Y804 WeakPolarHBondContact O-CB 3.2Å; A800-Y804 PolarHBondContact O-N 3.19Å; A800-F820 HydrophobicContact CB-CE1 3.56Å; A800-F820 HydrophobicContact CB-CZ 3.75Å
801	I	89.1	Confident	79.4	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-45.3	171.4	-73.6	162.5	0	0	0	109.8	R797 Q798 A799 Y804 L805 L816 F820 I827 D830 L831 L834	R797-I801 HydrophobicContact CG-CD1 4.04Å; R797-I801 HydrophobicContact CG-CG1 4.4Å; R797-I801 WeakPolarHBondContact O-CB 3.49Å; R797-I801 WeakPolarHBondContact O-CD1 3.42Å; R797-I801 WeakPolarHBondContact O-CG1 3.42Å; R797-I801 PolarHBondContact O-N 3.35Å; Q798-I801 WeakPolarHBondContact O-CB 3.38Å; Q798-I801 PolarHBondContact O-N 3.06Å; A799-I801 VanDerWaalsContact C-N 3.31Å; A799-I801 PolarHBondContact O-N 3.17Å; I801-Y804 PolarHBondContact O-N 2.7Å; I801-L805 HydrophobicContact CG2-CD1 3.89Å; I801-L805 HydrophobicContact CG2-CG 4.37Å; I801-L805 WeakPolarHBondContact O-CB 3.48Å; I801-L805 VanDerWaalsContact O-CG 3.27Å; I801-L805 WeakPolarHBondContact O-CG 3.46Å; I801-L805 PolarHBondContact O-N 2.94Å; I801-L816 HydrophobicContact CG1-CD2 4.32Å; I801-L816 HydrophobicContact CG2-CD1 4.25Å; I801-L816 HydrophobicContact CG2-CD2 4.44Å; I801-F820 HydrophobicContact CB-CE2 4.45Å; I801-F820 HydrophobicContact CG1-CD2 4.12Å; I801-F820 HydrophobicContact CG1-CE2 3.48Å; I801-F820 VanDerWaalsContact CG1-CE2 3.48Å; I801-F820 HydrophobicContact CG1-CZ 3.96Å; I801-I827 HydrophobicContact CD1-CD1 4.13Å; I801-D830 HydrophobicContact CD1-CB 3.94Å; I801-L831 HydrophobicContact CG2-CD2 4Å; I801-L834 HydrophobicContact CB-CD1 4.32Å; I801-L834 HydrophobicContact CG2-CD1 3.93Å
802	L	84.3	Confident	80.9	Confident	24 Å²	24	69.4 Å²	69.4	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-43.9	177.4	-66.5	174.5	0	0	0	111.6	Q798 A799 L805 Q806 L834 V840 L849	Q798-L802 WeakPolarHBondContact O-CG 3.42Å; Q798-L802 PolarHBondContact O-N 3.48Å; A799-L802 WeakPolarHBondContact O-CB 3.19Å; A799-L802 PolarHBondContact O-N 2.83Å; A799-L802 VanDerWaalsContact O-N 3.13Å; L802-L805 PolarHBondContact O-N 3.43Å; L802-Q806 WeakPolarHBondContact O-CB 3.41Å; L802-Q806 PolarHBondContact O-N 3.37Å; L802-L834 HydrophobicContact CD1-CD2 3.95Å; L802-L834 HydrophobicContact CD2-CD1 4.25Å; L802-L834 HydrophobicContact CD2-CD2 4.14Å; L802-L834 HydrophobicContact CG-CD1 4.35Å; L802-L834 HydrophobicContact CG-CD2 4.07Å; L802-V840 HydrophobicContact CD2-CG1 3.55Å; L802-L849 HydrophobicContact CB-CD2 4.41Å; L802-L849 HydrophobicContact CD2-CD2 3.58Å
803	E	77.3	Confident	81.9	Confident	99 Å²	99	66.6 Å²	66.6	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-42.7	175.9	-164.9	-165	160.2	0	0	111.8	A799 Q806 K807	A799-E803 PolarHBondContact O-N 3.31Å; E803-Q806 WeakPolarHBondContact O-CB 3.27Å; E803-Q806 PolarHBondContact O-N 3.47Å; E803-K807 PolarHBondContact O-N 2.94Å; E803-K807 VanDerWaalsContact O-N 3.12Å; E803-K807 WeakPolarHBondContact OE1-CE 3.42Å; E803-K807 IonicContact OE1-NZ 2.88Å; E803-K807 PolarHBondContact OE1-NZ 3.16Å
804	Y	84	Confident	82.6	Confident	40 Å²	40	65 Å²	65	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-45.3	175.1	-174.2	-88.4	0	0	0	111.3	A800 I801 Q806 K807 Q808 C811 L816 Y819	A800-Y804 VanDerWaalsContact O-CB 3.24Å; A800-Y804 WeakPolarHBondContact O-CB 3.2Å; A800-Y804 PolarHBondContact O-N 3.19Å; I801-Y804 PolarHBondContact O-N 2.7Å; Y804-Q806 VanDerWaalsContact C-N 3.3Å; Y804-Q806 PolarHBondContact O-N 3.34Å; Y804-K807 PolarHBondContact O-N 2.88Å; Y804-Q808 HydrophobicContact CD1-CB 4.43Å; Y804-Q808 HydrophobicContact CD1-CG 4.12Å; Y804-Q808 HydrophobicContact CD2-CG 4.46Å; Y804-Q808 HydrophobicContact CE1-CB 4.14Å; Y804-Q808 HydrophobicContact CE1-CG 3.75Å; Y804-Q808 HydrophobicContact CE2-CG 4.12Å; Y804-Q808 HydrophobicContact CG-CG 4.47Å; Y804-Q808 WeakPolarHBondContact O-CB 3.34Å; Y804-Q808 WeakPolarHBondContact O-CG 3.47Å; Y804-Q808 PolarHBondContact O-N 3.22Å; Y804-C811 HydrophobicContact CD1-CB 4.46Å; Y804-C811 HydrophobicContact CE1-CB 3.86Å; Y804-L816 HydrophobicContact CD1-CD2 3.77Å; Y804-L816 HydrophobicContact CE1-CD2 4.15Å; Y804-L816 HydrophobicContact CG-CD2 4.39Å; Y804-Y819 AromaticContact CD2-CD1 3.92Å; Y804-Y819 HydrophobicContact CD2-CD1 3.92Å; Y804-Y819 HydrophobicContact CD2-CD2 4.13Å; Y804-Y819 AromaticContact CD2-CE1 3.69Å; Y804-Y819 HydrophobicContact CD2-CE1 3.69Å; Y804-Y819 AromaticContact CD2-CE2 3.91Å; Y804-Y819 HydrophobicContact CD2-CE2 3.91Å; Y804-Y819 HydrophobicContact CD2-CG 4.13Å; Y804-Y819 AromaticContact CD2-CZ 3.68Å; Y804-Y819 HydrophobicContact CE2-CD1 4.07Å; Y804-Y819 AromaticContact CE2-CD2 3.52Å; Y804-Y819 HydrophobicContact CE2-CD2 3.52Å; Y804-Y819 HydrophobicContact CE2-CE1 4.1Å; Y804-Y819 AromaticContact CE2-CE2 3.57Å; Y804-Y819 HydrophobicContact CE2-CE2 3.57Å; Y804-Y819 AromaticContact CE2-CG 3.78Å; Y804-Y819 HydrophobicContact CE2-CG 3.78Å; Y804-Y819 AromaticContact CE2-CZ 3.86Å
805	L	84.7	Confident	83.2	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-32.1	175.5	-73.7	171.2	0	0	0	112.6	I801 L802 K807 G809 C811 V840 V847 L849	I801-L805 HydrophobicContact CG2-CD1 3.89Å; I801-L805 HydrophobicContact CG2-CG 4.37Å; I801-L805 WeakPolarHBondContact O-CB 3.48Å; I801-L805 VanDerWaalsContact O-CG 3.27Å; I801-L805 WeakPolarHBondContact O-CG 3.46Å; I801-L805 PolarHBondContact O-N 2.94Å; L802-L805 PolarHBondContact O-N 3.43Å; L805-K807 VanDerWaalsContact C-N 3.34Å; L805-G809 VanDerWaalsContact O-CA 3.22Å; L805-G809 WeakPolarHBondContact O-CA 3.08Å; L805-G809 PolarHBondContact O-N 3.27Å; L805-C811 WeakPolarHBondContact CD2-SG 3.45Å; L805-V840 HydrophobicContact CD1-CG1 3.66Å; L805-V847 HydrophobicContact CD1-CG1 4.19Å; L805-V847 HydrophobicContact CD1-CG2 4.08Å; L805-V847 HydrophobicContact CD2-CG1 3.89Å; L805-V847 WeakPolarHBondContact CD2-O 3.27Å; L805-L849 HydrophobicContact CB-CD1 4.4Å; L805-L849 HydrophobicContact CB-CD2 4.31Å; L805-L849 HydrophobicContact CB-CG 3.89Å
806	Q	74	Confident	84	Confident	107 Å²	107	56 Å²	56	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-39	175.5	-162.2	175.7	-2.8	0	0	111.5	L802 E803 Y804 L849	L802-Q806 WeakPolarHBondContact O-CB 3.41Å; L802-Q806 PolarHBondContact O-N 3.37Å; E803-Q806 WeakPolarHBondContact O-CB 3.27Å; E803-Q806 PolarHBondContact O-N 3.47Å; Y804-Q806 VanDerWaalsContact C-N 3.3Å; Y804-Q806 PolarHBondContact O-N 3.34Å; Q806-L849 HydrophobicContact CB-CD1 3.79Å; Q806-L849 HydrophobicContact CG-CD1 4.13Å
807	K	74.6	Confident	84.7	Confident	151 Å²	151	51 Å²	51	66%	0.657	26%	0.262	S	S	*	.	H	α-helix	trans	-76.9	-41.9	177.8	-68.3	175.9	-172.5	166.6	0	112.9	E803 Y804 L805	E803-K807 PolarHBondContact O-N 2.94Å; E803-K807 VanDerWaalsContact O-N 3.12Å; E803-K807 WeakPolarHBondContact OE1-CE 3.42Å; E803-K807 IonicContact OE1-NZ 2.88Å; E803-K807 PolarHBondContact OE1-NZ 3.16Å; Y804-K807 PolarHBondContact O-N 2.88Å; L805-K807 VanDerWaalsContact C-N 3.34Å
808	Q	79.8	Confident	84.6	Confident	118 Å²	118	58 Å²	58	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-98.3	-14.4	-171.2	-59.3	-62.1	-19.8	0	0	114.1	Y804 K810	Y804-Q808 HydrophobicContact CD1-CB 4.43Å; Y804-Q808 HydrophobicContact CD1-CG 4.12Å; Y804-Q808 HydrophobicContact CD2-CG 4.46Å; Y804-Q808 HydrophobicContact CE1-CB 4.14Å; Y804-Q808 HydrophobicContact CE1-CG 3.75Å; Y804-Q808 HydrophobicContact CE2-CG 4.12Å; Y804-Q808 HydrophobicContact CG-CG 4.47Å; Y804-Q808 WeakPolarHBondContact O-CB 3.34Å; Y804-Q808 WeakPolarHBondContact O-CG 3.47Å; Y804-Q808 PolarHBondContact O-N 3.22Å; Q808-K810 VanDerWaalsContact C-N 3.26Å; Q808-K810 PolarHBondContact O-N 2.68Å
809	G	79.2	Confident	84.5	Confident	42 Å²	42	63.8 Å²	63.8	43%	0.433	32%	0.317	S	S	.	.	S	Bend	trans	77.4	-60.2	-179.6	0	0	0	0	0	114.3	L805	L805-G809 VanDerWaalsContact O-CA 3.22Å; L805-G809 WeakPolarHBondContact O-CA 3.08Å; L805-G809 PolarHBondContact O-N 3.27Å
810	K	85.8	Confident	84.8	Confident	109 Å²	109	63.4 Å²	63.4	47%	0.474	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.7	178.8	-176.5	174.6	178.5	174.1	0	110.3	Q808 T843 Y844 V847 V848	Q808-K810 VanDerWaalsContact C-N 3.26Å; Q808-K810 PolarHBondContact O-N 2.68Å; K810-T843 WeakPolarHBondContact CE-OG1 3.3Å; K810-T843 PolarHBondContact NZ-OG1 3.01Å; K810-Y844 PolarHBondContact NZ-O 3.49Å; K810-V847 WeakPolarHBondContact CA-O 3.27Å; K810-V848 HydrophobicContact CB-CG1 3.7Å; K810-V848 HydrophobicContact CD-CG1 4.13Å; K810-V848 HydrophobicContact CG-CG1 3.73Å
811	C	90.4	Very high	84.5	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.027	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.8	171	65	0	0	0	0	112.7	Y804 L805 E815 L816 G846 V847	Y804-C811 HydrophobicContact CD1-CB 4.46Å; Y804-C811 HydrophobicContact CE1-CB 3.86Å; L805-C811 WeakPolarHBondContact CD2-SG 3.45Å; C811-E815 WeakPolarHBondContact CA-OE2 3.17Å; C811-E815 WeakPolarHBondContact CB-OE2 3.31Å; C811-L816 VanDerWaalsContact SG-CD2 3.55Å; C811-L816 WeakPolarHBondContact SG-CG 3.47Å; C811-G846 CarbonylContact O-C 3.58Å; C811-G846 WeakPolarHBondContact O-CA 3.14Å; C811-V847 PolarHBondContact N-O 2.94Å; C811-V847 PolarHBondContact O-N 3.12Å
812	S	92.5	Very high	84.1	Confident	22 Å²	22	71.6 Å²	71.6	15%	0.154	35%	0.35	C	S	.	.			trans	-86.5	164	174.8	66.5	0	0	0	0	112.5	E814 E815 L816	S812-E814 VanDerWaalsContact C-N 3.25Å; S812-E814 PolarHBondContact O-N 3.25Å; S812-E815 PolarHBondContact N-OE2 3.15Å; S812-E815 WeakPolarHBondContact OG-CB 3.45Å; S812-E815 VanDerWaalsContact OG-CD 3.3Å; S812-E815 WeakPolarHBondContact OG-CG 3.36Å; S812-E815 PolarHBondContact OG-N 2.82Å; S812-E815 VanDerWaalsContact OG-N 3.12Å; S812-E815 PolarHBondContact OG-OE2 3.49Å; S812-E815 VanDerWaalsContact OG-OE2 3.12Å; S812-L816 WeakPolarHBondContact O-CG 3.44Å; S812-L816 PolarHBondContact O-N 3.37Å
813	V	90.7	Very high	84	Confident	25 Å²	25	74.2 Å²	74.2	15%	0.152	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-35.6	175	173.5	0	0	0	0	110.6	A817 I827 R828 L831	V813-A817 VanDerWaalsContact O-CB 3.27Å; V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 2.96Å; V813-I827 HydrophobicContact CB-CG2 4.45Å; V813-I827 HydrophobicContact CG1-CB 4.1Å; V813-I827 HydrophobicContact CG1-CG2 3.9Å; V813-R828 HydrophobicContact CG1-CG 3.97Å; V813-R828 HydrophobicContact CG2-CG 4.41Å; V813-L831 HydrophobicContact CG2-CD1 3.92Å
814	E	88.9	Confident	84.3	Confident	117 Å²	117	70.5 Å²	70.5	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-68.6	-42.8	-179.7	-67.5	67.5	-150	0	0	111.5	S812 A817 Q818 R828	S812-E814 VanDerWaalsContact C-N 3.25Å; S812-E814 PolarHBondContact O-N 3.25Å; E814-A817 PolarHBondContact O-N 2.96Å; E814-Q818 WeakPolarHBondContact O-CB 3.18Å; E814-Q818 PolarHBondContact O-N 3.13Å; E814-R828 IonicContact OE1-NH2 3.57Å
815	E	90.2	Very high	84.1	Confident	94 Å²	94	72.7 Å²	72.7	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-45.6	173.5	-77.4	164.2	165.7	0	0	111.7	C811 S812 A817 Q818 Y819	C811-E815 WeakPolarHBondContact CA-OE2 3.17Å; C811-E815 WeakPolarHBondContact CB-OE2 3.31Å; S812-E815 PolarHBondContact N-OE2 3.15Å; S812-E815 WeakPolarHBondContact OG-CB 3.45Å; S812-E815 VanDerWaalsContact OG-CD 3.3Å; S812-E815 WeakPolarHBondContact OG-CG 3.36Å; S812-E815 PolarHBondContact OG-N 2.82Å; S812-E815 VanDerWaalsContact OG-N 3.12Å; S812-E815 PolarHBondContact OG-OE2 3.49Å; S812-E815 VanDerWaalsContact OG-OE2 3.12Å; E815-A817 VanDerWaalsContact C-N 3.34Å; E815-A817 PolarHBondContact O-N 3.13Å; E815-Q818 PolarHBondContact O-N 3.38Å; E815-Y819 VanDerWaalsContact O-CB 3.27Å; E815-Y819 WeakPolarHBondContact O-CB 3.36Å; E815-Y819 PolarHBondContact O-N 3.17Å
816	L	91.5	Very high	84.1	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-41.7	175.5	-70.2	173.8	0	0	0	111.4	I801 Y804 C811 S812 Q818 Y819 F820 I827 L831 V847	I801-L816 HydrophobicContact CG1-CD2 4.32Å; I801-L816 HydrophobicContact CG2-CD1 4.25Å; I801-L816 HydrophobicContact CG2-CD2 4.44Å; Y804-L816 HydrophobicContact CD1-CD2 3.77Å; Y804-L816 HydrophobicContact CE1-CD2 4.15Å; Y804-L816 HydrophobicContact CG-CD2 4.39Å; C811-L816 VanDerWaalsContact SG-CD2 3.55Å; C811-L816 WeakPolarHBondContact SG-CG 3.47Å; S812-L816 WeakPolarHBondContact O-CG 3.44Å; S812-L816 PolarHBondContact O-N 3.37Å; L816-Q818 VanDerWaalsContact C-N 3.3Å; L816-Q818 PolarHBondContact O-N 3.4Å; L816-Y819 PolarHBondContact O-N 2.76Å; L816-F820 HydrophobicContact CB-CD2 4.41Å; L816-F820 HydrophobicContact CD2-CD2 4.32Å; L816-F820 HydrophobicContact CD2-CE2 3.83Å; L816-F820 WeakPolarHBondContact O-CB 3.29Å; L816-F820 VanDerWaalsContact O-CD2 3.24Å; L816-F820 WeakPolarHBondContact O-CD2 3.35Å; L816-F820 PolarHBondContact O-N 3.36Å; L816-I827 HydrophobicContact CB-CD1 3.99Å; L816-I827 HydrophobicContact CB-CG1 4.05Å; L816-I827 HydrophobicContact CB-CG2 3.82Å; L816-I827 HydrophobicContact CD1-CG2 3.79Å; L816-I827 HydrophobicContact CG-CG2 4.49Å; L816-L831 HydrophobicContact CD1-CD1 4.35Å; L816-L831 HydrophobicContact CD1-CD2 4.31Å; L816-V847 HydrophobicContact CD1-CG1 3.87Å
817	A	87.3	Confident	85	Confident	13 Å²	13	69.4 Å²	69.4	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-41.7	178.4	0	0	0	0	0	111.2	V813 E814 E815 D821 T822 I827	V813-A817 VanDerWaalsContact O-CB 3.27Å; V813-A817 WeakPolarHBondContact O-CB 3.43Å; V813-A817 PolarHBondContact O-N 2.96Å; E814-A817 PolarHBondContact O-N 2.96Å; E815-A817 VanDerWaalsContact C-N 3.34Å; E815-A817 PolarHBondContact O-N 3.13Å; A817-D821 WeakPolarHBondContact O-CA 3.22Å; A817-D821 PolarHBondContact O-N 2.76Å; A817-D821 VanDerWaalsContact O-N 3.16Å; A817-T822 CarbonylContact C-O 3.57Å; A817-T822 WeakPolarHBondContact CB-O 3.38Å; A817-T822 PolarHBondContact O-N 3.14Å; A817-T822 VanDerWaalsContact O-O 3.12Å; A817-I827 HydrophobicContact CB-CG1 4.11Å
818	Q	84.3	Confident	85.7	Confident	165 Å²	165	68.6 Å²	68.6	77%	0.771	35%	0.353	S	S	*	.	H	α-helix	trans	-70.2	-44	176.3	-171.1	174.3	4.2	0	0	112.3	E814 E815 L816 F820 D821	E814-Q818 WeakPolarHBondContact O-CB 3.18Å; E814-Q818 PolarHBondContact O-N 3.13Å; E815-Q818 PolarHBondContact O-N 3.38Å; L816-Q818 VanDerWaalsContact C-N 3.3Å; L816-Q818 PolarHBondContact O-N 3.4Å; Q818-F820 PolarHBondContact O-N 3.16Å; Q818-D821 PolarHBondContact O-N 3.49Å
819	Y	85.6	Confident	86.2	Confident	145 Å²	145	69.8 Å²	69.8	57%	0.569	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-40.2	180	-176.5	-94.2	0	0	0	112.4	Y804 E815 L816	Y804-Y819 AromaticContact CD2-CD1 3.92Å; Y804-Y819 HydrophobicContact CD2-CD1 3.92Å; Y804-Y819 HydrophobicContact CD2-CD2 4.13Å; Y804-Y819 AromaticContact CD2-CE1 3.69Å; Y804-Y819 HydrophobicContact CD2-CE1 3.69Å; Y804-Y819 AromaticContact CD2-CE2 3.91Å; Y804-Y819 HydrophobicContact CD2-CE2 3.91Å; Y804-Y819 HydrophobicContact CD2-CG 4.13Å; Y804-Y819 AromaticContact CD2-CZ 3.68Å; Y804-Y819 HydrophobicContact CE2-CD1 4.07Å; Y804-Y819 AromaticContact CE2-CD2 3.52Å; Y804-Y819 HydrophobicContact CE2-CD2 3.52Å; Y804-Y819 HydrophobicContact CE2-CE1 4.1Å; Y804-Y819 AromaticContact CE2-CE2 3.57Å; Y804-Y819 HydrophobicContact CE2-CE2 3.57Å; Y804-Y819 AromaticContact CE2-CG 3.78Å; Y804-Y819 HydrophobicContact CE2-CG 3.78Å; Y804-Y819 AromaticContact CE2-CZ 3.86Å; E815-Y819 VanDerWaalsContact O-CB 3.27Å; E815-Y819 WeakPolarHBondContact O-CB 3.36Å; E815-Y819 PolarHBondContact O-N 3.17Å; L816-Y819 PolarHBondContact O-N 2.76Å
820	F	85	Confident	86.8	Confident	31 Å²	31	68 Å²	68	14%	0.136	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.2	179.7	-69.8	-69.9	0	0	0	114.3	M792 R797 A800 I801 L816 Q818 T822 I827	M792-F820 HydrophobicContact CE-CD1 4.27Å; M792-F820 HydrophobicContact CE-CE1 4.35Å; M792-F820 HydrophobicContact SD-CD1 4.11Å; M792-F820 HydrophobicContact SD-CE1 4.17Å; R797-F820 HydrophobicContact CG-CD1 4.07Å; R797-F820 HydrophobicContact CG-CD2 4.45Å; R797-F820 HydrophobicContact CG-CE1 4.42Å; R797-F820 HydrophobicContact CG-CG 4.09Å; A800-F820 HydrophobicContact CB-CE1 3.56Å; A800-F820 HydrophobicContact CB-CZ 3.75Å; I801-F820 HydrophobicContact CB-CE2 4.45Å; I801-F820 HydrophobicContact CG1-CD2 4.12Å; I801-F820 HydrophobicContact CG1-CE2 3.48Å; I801-F820 VanDerWaalsContact CG1-CE2 3.48Å; I801-F820 HydrophobicContact CG1-CZ 3.96Å; L816-F820 HydrophobicContact CB-CD2 4.41Å; L816-F820 HydrophobicContact CD2-CD2 4.32Å; L816-F820 HydrophobicContact CD2-CE2 3.83Å; L816-F820 WeakPolarHBondContact O-CB 3.29Å; L816-F820 VanDerWaalsContact O-CD2 3.24Å; L816-F820 WeakPolarHBondContact O-CD2 3.35Å; L816-F820 PolarHBondContact O-N 3.36Å; Q818-F820 PolarHBondContact O-N 3.16Å; F820-T822 HydrophobicContact CB-CG2 4.04Å; F820-T822 PolarHBondContact O-N 2.71Å; F820-I827 HydrophobicContact CD2-CD1 4.14Å
821	D	76	Confident	87.1	Confident	158 Å²	158	63 Å²	63	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	49.2	-175	-165.3	30.5	0	0	0	112.5	A817 Q818	A817-D821 WeakPolarHBondContact O-CA 3.22Å; A817-D821 PolarHBondContact O-N 2.76Å; A817-D821 VanDerWaalsContact O-N 3.16Å; Q818-D821 PolarHBondContact O-N 3.49Å
822	T	80.3	Confident	87	Confident	38 Å²	38	65.3 Å²	65.3	23%	0.233	33%	0.33	C	S	.	.	S	Bend	trans	-133.4	176	-176.9	-159.6	0	0	0	0	111.9	A817 F820 T826 I827	A817-T822 CarbonylContact C-O 3.57Å; A817-T822 WeakPolarHBondContact CB-O 3.38Å; A817-T822 PolarHBondContact O-N 3.14Å; A817-T822 VanDerWaalsContact O-O 3.12Å; F820-T822 HydrophobicContact CB-CG2 4.04Å; F820-T822 PolarHBondContact O-N 2.71Å; T822-T826 HydrophobicContact CG2-CG2 4.4Å; T822-T826 WeakPolarHBondContact OG1-CB 3.46Å; T822-T826 PolarHBondContact OG1-OG1 3.25Å; T822-I827 HydrophobicContact CG2-CD1 3.5Å; T822-I827 HydrophobicContact CG2-CG1 3.66Å
823	T	81.3	Confident	86.8	Confident	79 Å²	79	68.5 Å²	68.5	49%	0.485	34%	0.344	S	S	.	.			trans	-83.3	148.7	179.2	75	0	0	0	0	111.4	T825 T826 I827	T823-T825 PolarHBondContact O-N 2.81Å; T823-T825 VanDerWaalsContact O-N 3.13Å; T823-T826 WeakPolarHBondContact O-CB 3.27Å; T823-T826 PolarHBondContact O-N 3.29Å; T823-T826 PolarHBondContact OG1-N 3.02Å; T823-T826 VanDerWaalsContact OG1-N 3.16Å; T823-T826 PolarHBondContact OG1-OG1 2.98Å; T823-I827 PolarHBondContact O-N 2.9Å; T823-I827 VanDerWaalsContact O-N 3.15Å
824	G	83.5	Confident	86.6	Confident	22 Å²	22	67.8 Å²	67.8	23%	0.227	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-29.7	171.1	0	0	0	0	0	113	I827 R828	G824-I827 PolarHBondContact O-N 2.79Å; G824-R828 WeakPolarHBondContact O-CB 3.47Å; G824-R828 VanDerWaalsContact O-CG 3.23Å; G824-R828 WeakPolarHBondContact O-CG 3.24Å; G824-R828 PolarHBondContact O-N 3.24Å
825	T	80.9	Confident	86.4	Confident	86 Å²	86	65 Å²	65	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-41.2	173.8	-51.7	0	0	0	0	112.1	T823 R828 K829	T823-T825 PolarHBondContact O-N 2.81Å; T823-T825 VanDerWaalsContact O-N 3.13Å; T825-R828 PolarHBondContact O-N 3.32Å; T825-K829 PolarHBondContact O-N 3.4Å
826	T	84.8	Confident	85.8	Confident	39 Å²	39	68.5 Å²	68.5	24%	0.239	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-50.5	175.8	-54.1	0	0	0	0	110.6	T822 T823 R828 K829 D830	T822-T826 HydrophobicContact CG2-CG2 4.4Å; T822-T826 WeakPolarHBondContact OG1-CB 3.46Å; T822-T826 PolarHBondContact OG1-OG1 3.25Å; T823-T826 WeakPolarHBondContact O-CB 3.27Å; T823-T826 PolarHBondContact O-N 3.29Å; T823-T826 PolarHBondContact OG1-N 3.02Å; T823-T826 VanDerWaalsContact OG1-N 3.16Å; T823-T826 PolarHBondContact OG1-OG1 2.98Å; T826-R828 VanDerWaalsContact C-N 3.32Å; T826-R828 PolarHBondContact O-N 3.33Å; T826-K829 WeakPolarHBondContact O-CB 3.24Å; T826-K829 PolarHBondContact O-N 2.95Å; T826-K829 VanDerWaalsContact O-N 3.13Å; T826-D830 PolarHBondContact O-N 3.09Å; T826-D830 VanDerWaalsContact O-N 3.14Å
827	I	92.4	Very high	85	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-58	-45	177.4	-64.4	-56.6	0	0	0	110.8	I801 V813 L816 A817 F820 T822 T823 G824 K829 D830 L831	I801-I827 HydrophobicContact CD1-CD1 4.13Å; V813-I827 HydrophobicContact CB-CG2 4.45Å; V813-I827 HydrophobicContact CG1-CB 4.1Å; V813-I827 HydrophobicContact CG1-CG2 3.9Å; L816-I827 HydrophobicContact CB-CD1 3.99Å; L816-I827 HydrophobicContact CB-CG1 4.05Å; L816-I827 HydrophobicContact CB-CG2 3.82Å; L816-I827 HydrophobicContact CD1-CG2 3.79Å; L816-I827 HydrophobicContact CG-CG2 4.49Å; A817-I827 HydrophobicContact CB-CG1 4.11Å; F820-I827 HydrophobicContact CD2-CD1 4.14Å; T822-I827 HydrophobicContact CG2-CD1 3.5Å; T822-I827 HydrophobicContact CG2-CG1 3.66Å; T823-I827 PolarHBondContact O-N 2.9Å; T823-I827 VanDerWaalsContact O-N 3.15Å; G824-I827 PolarHBondContact O-N 2.79Å; I827-K829 VanDerWaalsContact C-N 3.29Å; I827-K829 PolarHBondContact O-N 3.35Å; I827-D830 PolarHBondContact O-N 2.79Å; I827-D830 VanDerWaalsContact O-N 3.12Å; I827-L831 HydrophobicContact CG2-CD1 3.86Å; I827-L831 HydrophobicContact CG2-CG 3.99Å; I827-L831 WeakPolarHBondContact O-CG 3.31Å; I827-L831 PolarHBondContact O-N 3.41Å
828	R	90.6	Very high	84.3	Confident	133 Å²	133	72.8 Å²	72.8	50%	0.502	38%	0.381	S	S	.	.	H	α-helix	trans	-58.8	-38.5	178	-75	172.2	-166.7	151.4	5.7	112.7	V813 E814 G824 T825 T826 L831 V832	V813-R828 HydrophobicContact CG1-CG 3.97Å; V813-R828 HydrophobicContact CG2-CG 4.41Å; E814-R828 IonicContact OE1-NH2 3.57Å; G824-R828 WeakPolarHBondContact O-CB 3.47Å; G824-R828 VanDerWaalsContact O-CG 3.23Å; G824-R828 WeakPolarHBondContact O-CG 3.24Å; G824-R828 PolarHBondContact O-N 3.24Å; T825-R828 PolarHBondContact O-N 3.32Å; T826-R828 VanDerWaalsContact C-N 3.32Å; T826-R828 PolarHBondContact O-N 3.33Å; R828-L831 PolarHBondContact O-N 2.98Å; R828-V832 VanDerWaalsContact O-CG2 3.27Å; R828-V832 WeakPolarHBondContact O-CG2 3.38Å; R828-V832 PolarHBondContact O-N 3.41Å
829	K	89.1	Confident	83.8	Confident	144 Å²	144	65.7 Å²	65.7	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-44.5	175.1	-74.9	-178.6	179.2	-178.3	0	111.7	T825 T826 I827 V832 I833	T825-K829 PolarHBondContact O-N 3.4Å; T826-K829 WeakPolarHBondContact O-CB 3.24Å; T826-K829 PolarHBondContact O-N 2.95Å; T826-K829 VanDerWaalsContact O-N 3.13Å; I827-K829 VanDerWaalsContact C-N 3.29Å; I827-K829 PolarHBondContact O-N 3.35Å; K829-V832 PolarHBondContact O-N 2.93Å; K829-I833 WeakPolarHBondContact O-CG1 3.47Å; K829-I833 PolarHBondContact O-N 3.28Å
830	D	91.3	Very high	83.8	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-43.9	176.8	-67	-40.1	0	0	0	111.5	R797 Q798 I801 T826 I827 V832 I833 L834	R797-D830 IonicContact CZ-OD2 2.72Å; R797-D830 IonicContact NE-OD2 3.54Å; R797-D830 PolarHBondContact NE-OD2 3.25Å; R797-D830 IonicContact NH2-OD1 3.51Å; R797-D830 PolarHBondContact NH2-OD1 3.07Å; R797-D830 IonicContact NH2-OD2 2.77Å; R797-D830 PolarHBondContact NH2-OD2 3.37Å; Q798-D830 HydrophobicContact CG-CB 3.75Å; Q798-D830 PolarHBondContact NE2-OD1 2.89Å; I801-D830 HydrophobicContact CD1-CB 3.94Å; T826-D830 PolarHBondContact O-N 3.09Å; T826-D830 VanDerWaalsContact O-N 3.14Å; I827-D830 PolarHBondContact O-N 2.79Å; I827-D830 VanDerWaalsContact O-N 3.12Å; D830-V832 VanDerWaalsContact C-N 3.33Å; D830-V832 PolarHBondContact O-N 3.4Å; D830-I833 PolarHBondContact O-N 3.28Å; D830-I833 VanDerWaalsContact O-N 3.16Å; D830-L834 WeakPolarHBondContact O-CG 3.43Å; D830-L834 PolarHBondContact O-N 2.88Å
831	L	92	Very high	83.7	Confident	4 Å²	4	61 Å²	61	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-33.3	178.5	-66.2	-174.4	0	0	0	113.2	I801 V813 L816 I827 R828 I833 L834 E835 V847	I801-L831 HydrophobicContact CG2-CD2 4Å; V813-L831 HydrophobicContact CG2-CD1 3.92Å; L816-L831 HydrophobicContact CD1-CD1 4.35Å; L816-L831 HydrophobicContact CD1-CD2 4.31Å; I827-L831 HydrophobicContact CG2-CD1 3.86Å; I827-L831 HydrophobicContact CG2-CG 3.99Å; I827-L831 WeakPolarHBondContact O-CG 3.31Å; I827-L831 PolarHBondContact O-N 3.41Å; R828-L831 PolarHBondContact O-N 2.98Å; L831-I833 VanDerWaalsContact C-N 3.33Å; L831-L834 HydrophobicContact CD2-CD1 4.3Å; L831-L834 PolarHBondContact O-N 3.49Å; L831-E835 VanDerWaalsContact O-CB 3.27Å; L831-E835 WeakPolarHBondContact O-CB 3.45Å; L831-E835 PolarHBondContact O-N 3.04Å; L831-V847 HydrophobicContact CD1-CB 4.16Å; L831-V847 HydrophobicContact CD1-CG1 3.94Å; L831-V847 HydrophobicContact CD2-CB 4.35Å; L831-V847 HydrophobicContact CD2-CG1 4.01Å; L831-V847 HydrophobicContact CD2-CG2 3.98Å
832	V	89.9	Confident	84.1	Confident	53 Å²	53	59.1 Å²	59.1	32%	0.321	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-42.5	172.8	166.3	0	0	0	0	110.8	R828 K829 D830 H836	R828-V832 VanDerWaalsContact O-CG2 3.27Å; R828-V832 WeakPolarHBondContact O-CG2 3.38Å; R828-V832 PolarHBondContact O-N 3.41Å; K829-V832 PolarHBondContact O-N 2.93Å; D830-V832 VanDerWaalsContact C-N 3.33Å; D830-V832 PolarHBondContact O-N 3.4Å; V832-H836 WeakPolarHBondContact O-CB 3.38Å; V832-H836 PolarHBondContact O-N 3.49Å
833	I	86.6	Confident	84.3	Confident	88 Å²	88	59.9 Å²	59.9	45%	0.451	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-46.1	178.1	-65.7	166.6	0	0	0	110.3	K829 D830 L831 E835 H836 A837	K829-I833 WeakPolarHBondContact O-CG1 3.47Å; K829-I833 PolarHBondContact O-N 3.28Å; D830-I833 PolarHBondContact O-N 3.28Å; D830-I833 VanDerWaalsContact O-N 3.16Å; L831-I833 VanDerWaalsContact C-N 3.33Å; I833-E835 VanDerWaalsContact C-N 3.34Å; I833-E835 PolarHBondContact O-N 3.12Å; I833-H836 PolarHBondContact O-N 3.29Å; I833-A837 WeakPolarHBondContact O-CB 3.13Å; I833-A837 PolarHBondContact O-N 2.89Å
834	L	87.4	Confident	83.9	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.052	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-36.7	179.6	-70.8	176.1	0	0	0	112.4	Q798 I801 L802 D830 L831 A837 G838 T839 V840	Q798-L834 HydrophobicContact CB-CD1 4.34Å; Q798-L834 HydrophobicContact CB-CD2 4.07Å; Q798-L834 HydrophobicContact CB-CG 4.35Å; Q798-L834 HydrophobicContact CG-CD1 4.41Å; Q798-L834 HydrophobicContact CG-CD2 4.42Å; Q798-L834 HydrophobicContact CG-CG 4.26Å; I801-L834 HydrophobicContact CB-CD1 4.32Å; I801-L834 HydrophobicContact CG2-CD1 3.93Å; L802-L834 HydrophobicContact CD1-CD2 3.95Å; L802-L834 HydrophobicContact CD2-CD1 4.25Å; L802-L834 HydrophobicContact CD2-CD2 4.14Å; L802-L834 HydrophobicContact CG-CD1 4.35Å; L802-L834 HydrophobicContact CG-CD2 4.07Å; D830-L834 WeakPolarHBondContact O-CG 3.43Å; D830-L834 PolarHBondContact O-N 2.88Å; L831-L834 HydrophobicContact CD2-CD1 4.3Å; L831-L834 PolarHBondContact O-N 3.49Å; L834-A837 PolarHBondContact O-N 3.18Å; L834-G838 PolarHBondContact O-N 3.32Å; L834-T839 WeakPolarHBondContact CA-OG1 3.39Å; L834-T839 WeakPolarHBondContact CB-OG1 3.47Å; L834-T839 WeakPolarHBondContact CD2-OG1 3.45Å; L834-T839 PolarHBondContact O-N 3.41Å; L834-T839 PolarHBondContact O-OG1 3.12Å; L834-V840 HydrophobicContact CB-CB 4.47Å; L834-V840 HydrophobicContact CB-CG1 4.14Å; L834-V840 HydrophobicContact CB-CG2 3.57Å; L834-V840 HydrophobicContact CD1-CG1 4.38Å
835	E	84.8	Confident	83.6	Confident	60 Å²	60	69.2 Å²	69.2	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-71.1	-43.4	176.3	-174.2	-174	-111.3	0	0	111.7	L831 I833 A837 G838 V840 R842	L831-E835 VanDerWaalsContact O-CB 3.27Å; L831-E835 WeakPolarHBondContact O-CB 3.45Å; L831-E835 PolarHBondContact O-N 3.04Å; I833-E835 VanDerWaalsContact C-N 3.34Å; I833-E835 PolarHBondContact O-N 3.12Å; E835-A837 PolarHBondContact O-N 2.93Å; E835-G838 WeakPolarHBondContact O-CA 3.32Å; E835-G838 PolarHBondContact O-N 2.86Å; E835-V840 HydrophobicContact CB-CG2 4.16Å; E835-R842 WeakPolarHBondContact OE1-CB 3.44Å; E835-R842 WeakPolarHBondContact OE1-CG 3.48Å; E835-R842 IonicContact OE1-CZ 2.72Å; E835-R842 PolarHBondContact OE1-N 3.3Å; E835-R842 IonicContact OE1-NE 2.68Å; E835-R842 PolarHBondContact OE1-NE 2.88Å; E835-R842 IonicContact OE1-NH2 3.83Å; E835-R842 IonicContact OE2-CZ 3.67Å; E835-R842 IonicContact OE2-NE 3.33Å; E835-R842 PolarHBondContact OE2-NE 2.93Å; E835-R842 IonicContact OE2-NH2 2.78Å; E835-R842 PolarHBondContact OE2-NH2 3.38Å
836	H	77.5	Confident	83.9	Confident	166 Å²	166	65.7 Å²	65.7	77%	0.769	34%	0.342	S	S	*	.	H	α-helix	trans	-59.4	-33.1	172.3	-93.3	-173.3	0	0	0	112.6	V832 I833 G838	V832-H836 WeakPolarHBondContact O-CB 3.38Å; V832-H836 PolarHBondContact O-N 3.49Å; I833-H836 PolarHBondContact O-N 3.29Å; H836-G838 PolarHBondContact O-N 3.47Å
837	A	74.5	Confident	84.2	Confident	69 Å²	69	63.9 Å²	63.9	57%	0.57	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.7	173.6	0	0	0	0	0	113.4	I833 L834 E835 T839	I833-A837 WeakPolarHBondContact O-CB 3.13Å; I833-A837 PolarHBondContact O-N 2.89Å; L834-A837 PolarHBondContact O-N 3.18Å; E835-A837 PolarHBondContact O-N 2.93Å; A837-T839 HydrophobicContact CB-CG2 4.03Å; A837-T839 PolarHBondContact O-N 2.93Å
838	G	73	Confident	83.9	Confident	35 Å²	35	65.5 Å²	65.5	36%	0.361	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	14.4	-178.4	0	0	0	0	0	114.2	L834 E835 H836 N850	L834-G838 PolarHBondContact O-N 3.32Å; E835-G838 WeakPolarHBondContact O-CA 3.32Å; E835-G838 PolarHBondContact O-N 2.86Å; H836-G838 PolarHBondContact O-N 3.47Å; G838-N850 WeakPolarHBondContact O-CB 3.27Å; G838-N850 PolarHBondContact O-ND2 3.47Å
839	T	74.2	Confident	83.5	Confident	15 Å²	15	61.2 Å²	61.2	9%	0.092	33%	0.328	C	S	.	.	S	Bend	trans	-88.3	-27.3	-174.4	60.3	0	0	0	0	113.4	L834 A837 N850 H860	L834-T839 WeakPolarHBondContact CA-OG1 3.39Å; L834-T839 WeakPolarHBondContact CB-OG1 3.47Å; L834-T839 WeakPolarHBondContact CD2-OG1 3.45Å; L834-T839 PolarHBondContact O-N 3.41Å; L834-T839 PolarHBondContact O-OG1 3.12Å; A837-T839 HydrophobicContact CB-CG2 4.03Å; A837-T839 PolarHBondContact O-N 2.93Å; T839-N850 PolarHBondContact O-N 3.16Å; T839-H860 WeakPolarHBondContact CG2-NE2 3.23Å
840	V	84.8	Confident	82.8	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	154	175.9	-57.1	0	0	0	0	110.3	L802 L805 L834 E835 V847 V848 L849	L802-V840 HydrophobicContact CD2-CG1 3.55Å; L805-V840 HydrophobicContact CD1-CG1 3.66Å; L834-V840 HydrophobicContact CB-CB 4.47Å; L834-V840 HydrophobicContact CB-CG1 4.14Å; L834-V840 HydrophobicContact CB-CG2 3.57Å; L834-V840 HydrophobicContact CD1-CG1 4.38Å; E835-V840 HydrophobicContact CB-CG2 4.16Å; V840-V847 HydrophobicContact CB-CG2 3.55Å; V840-V847 HydrophobicContact CG1-CG2 4.08Å; V840-V847 HydrophobicContact CG2-CG2 3.75Å; V840-V848 CarbonylContact C-O 3.54Å; V840-V848 WeakPolarHBondContact CA-O 3.36Å; V840-V848 WeakPolarHBondContact CB-O 3.49Å; V840-L849 HydrophobicContact CG1-CD2 4.49Å
841	I	83.1	Confident	81.5	Confident	75 Å²	75	65.4 Å²	65.4	39%	0.385	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.8	171.2	-56.6	174.3	0	0	0	107.2	T843 V848 N850	I841-T843 HydrophobicContact CG2-CG2 4.41Å; I841-T843 PolarHBondContact O-N 3.28Å; I841-V848 HydrophobicContact CB-CG2 3.99Å; I841-V848 PolarHBondContact N-O 3.14Å; I841-V848 PolarHBondContact O-N 3.32Å; I841-V848 VanDerWaalsContact O-N 3.11Å; I841-N850 HydrophobicContact CD1-CB 4.17Å; I841-N850 HydrophobicContact CG1-CB 3.89Å
842	R	85.3	Confident	79.5	Confident	120 Å²	120	72.4 Å²	72.4	45%	0.453	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.9	169.9	-62.7	-171.9	-75.2	-178.9	-7.3	108.9	E835	E835-R842 WeakPolarHBondContact OE1-CB 3.44Å; E835-R842 WeakPolarHBondContact OE1-CG 3.48Å; E835-R842 IonicContact OE1-CZ 2.72Å; E835-R842 PolarHBondContact OE1-N 3.3Å; E835-R842 IonicContact OE1-NE 2.68Å; E835-R842 PolarHBondContact OE1-NE 2.88Å; E835-R842 IonicContact OE1-NH2 3.83Å; E835-R842 IonicContact OE2-CZ 3.67Å; E835-R842 IonicContact OE2-NE 3.33Å; E835-R842 PolarHBondContact OE2-NE 2.93Å; E835-R842 IonicContact OE2-NH2 2.78Å; E835-R842 PolarHBondContact OE2-NH2 3.38Å
843	T	82.4	Confident	77.7	Confident	53 Å²	53	77.4 Å²	77.4	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	165	176.7	64.6	0	0	0	0	110.2	K810 I841 G845 G846 V848	K810-T843 WeakPolarHBondContact CE-OG1 3.3Å; K810-T843 PolarHBondContact NZ-OG1 3.01Å; I841-T843 HydrophobicContact CG2-CG2 4.41Å; I841-T843 PolarHBondContact O-N 3.28Å; T843-G845 PolarHBondContact O-N 3.13Å; T843-G846 CarbonylContact C-O 3.51Å; T843-G846 WeakPolarHBondContact CA-O 3.27Å; T843-G846 PolarHBondContact N-O 2.82Å; T843-G846 PolarHBondContact O-N 3.43Å; T843-G846 PolarHBondContact OG1-O 3.48Å; T843-V848 HydrophobicContact CG2-CG2 4.02Å
844	Y	74.6	Confident	76.2	Confident	233 Å²	233	76.6 Å²	76.6	91%	0.914	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	117.2	169.9	-165	-96.1	0	0	0	109.4	K810	K810-Y844 PolarHBondContact NZ-O 3.49Å
845	G	76.8	Confident	75.2	Confident	65 Å²	65	77 Å²	77	67%	0.67	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	9.3	179.4	0	0	0	0	0	116.8	T843	T843-G845 PolarHBondContact O-N 3.13Å
846	G	86.5	Confident	74.5	Confident	11 Å²	11	75.3 Å²	75.3	11%	0.113	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-177	174.5	0	0	0	0	0	115.2	C811 T843	C811-G846 CarbonylContact O-C 3.58Å; C811-G846 WeakPolarHBondContact O-CA 3.14Å; T843-G846 CarbonylContact C-O 3.51Å; T843-G846 WeakPolarHBondContact CA-O 3.27Å; T843-G846 PolarHBondContact N-O 2.82Å; T843-G846 PolarHBondContact O-N 3.43Å; T843-G846 PolarHBondContact OG1-O 3.48Å
847	V	90.9	Very high	74.3	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.4	179.4	57.8	0	0	0	0	110.6	L805 K810 C811 L816 L831 V840	L805-V847 HydrophobicContact CD1-CG1 4.19Å; L805-V847 HydrophobicContact CD1-CG2 4.08Å; L805-V847 HydrophobicContact CD2-CG1 3.89Å; L805-V847 WeakPolarHBondContact CD2-O 3.27Å; K810-V847 WeakPolarHBondContact CA-O 3.27Å; C811-V847 PolarHBondContact N-O 2.94Å; C811-V847 PolarHBondContact O-N 3.12Å; L816-V847 HydrophobicContact CD1-CG1 3.87Å; L831-V847 HydrophobicContact CD1-CB 4.16Å; L831-V847 HydrophobicContact CD1-CG1 3.94Å; L831-V847 HydrophobicContact CD2-CB 4.35Å; L831-V847 HydrophobicContact CD2-CG1 4.01Å; L831-V847 HydrophobicContact CD2-CG2 3.98Å; V840-V847 HydrophobicContact CB-CG2 3.55Å; V840-V847 HydrophobicContact CG1-CG2 4.08Å; V840-V847 HydrophobicContact CG2-CG2 3.75Å
848	V	87.6	Confident	74.4	Confident	34 Å²	34	67.9 Å²	67.9	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.1	176.9	-60.8	0	0	0	0	110.2	K810 V840 I841 T843	K810-V848 HydrophobicContact CB-CG1 3.7Å; K810-V848 HydrophobicContact CD-CG1 4.13Å; K810-V848 HydrophobicContact CG-CG1 3.73Å; V840-V848 CarbonylContact C-O 3.54Å; V840-V848 WeakPolarHBondContact CA-O 3.36Å; V840-V848 WeakPolarHBondContact CB-O 3.49Å; I841-V848 HydrophobicContact CB-CG2 3.99Å; I841-V848 PolarHBondContact N-O 3.14Å; I841-V848 PolarHBondContact O-N 3.32Å; I841-V848 VanDerWaalsContact O-N 3.11Å; T843-V848 HydrophobicContact CG2-CG2 4.02Å
849	L	81.2	Confident	74.3	Confident	43 Å²	43	71 Å²	71	23%	0.225	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.5	169.4	-74.4	170.2	0	0	0	110.8	L802 L805 Q806 V840 K851	L802-L849 HydrophobicContact CB-CD2 4.41Å; L802-L849 HydrophobicContact CD2-CD2 3.58Å; L805-L849 HydrophobicContact CB-CD1 4.4Å; L805-L849 HydrophobicContact CB-CD2 4.31Å; L805-L849 HydrophobicContact CB-CG 3.89Å; Q806-L849 HydrophobicContact CB-CD1 3.79Å; Q806-L849 HydrophobicContact CG-CD1 4.13Å; V840-L849 HydrophobicContact CG1-CD2 4.49Å; L849-K851 PolarHBondContact O-N 2.89Å
850	N	75.3	Confident	74.1	Confident	50 Å²	50	72.9 Å²	72.9	27%	0.267	38%	0.375	S	S	.	.			trans	-74	117.8	167.8	-171.2	2.1	0	0	0	109.1	G838 T839 I841 E852	G838-N850 WeakPolarHBondContact O-CB 3.27Å; G838-N850 PolarHBondContact O-ND2 3.47Å; T839-N850 PolarHBondContact O-N 3.16Å; I841-N850 HydrophobicContact CD1-CB 4.17Å; I841-N850 HydrophobicContact CG1-CB 3.89Å; N850-E852 PolarHBondContact OD1-N 3.1Å
851	K	62.3	Low	73.7	Confident	186 Å²	186	74.3 Å²	74.3	81%	0.809	38%	0.381	S	S	*	.			trans	-101.6	5.8	-177.3	-67.6	-171.7	179.1	-175.9	0	113.9	L849 E853	L849-K851 PolarHBondContact O-N 2.89Å; K851-E853 PolarHBondContact O-N 3.18Å
852	E	50.9	Low	73.3	Confident	151 Å²	151	72 Å²	72	71%	0.706	37%	0.371	S	S	*	.			trans	-58.6	129.3	176.8	-71.8	-174.7	169.3	0	0	110.9	N850 S854	N850-E852 PolarHBondContact OD1-N 3.1Å; E852-S854 PolarHBondContact O-N 3.12Å
853	E	51.9	Low	72.6	Confident	158 Å²	158	71.5 Å²	71.5	74%	0.738	38%	0.376	S	S	*	.			trans	-68.3	66.2	-177.7	-67.2	-174.2	159.9	0	0	111.8	K851	K851-E853 PolarHBondContact O-N 3.18Å
854	S	55.9	Low	72.2	Confident	71 Å²	71	71.6 Å²	71.6	50%	0.497	37%	0.374	S	S	.	.			trans	-88.9	157.4	172.4	62.9	0	0	0	0	110.7	E852 P856	E852-S854 PolarHBondContact O-N 3.12Å; S854-P856 WeakPolarHBondContact O-CD 3.17Å
855	D	66.6	Low	72.5	Confident	17 Å²	17	62 Å²	62	9%	0.091	34%	0.339	C	S	.	.			trans	-79	99.2	157.8	171.9	38.5	0	0	0	106.5	K861 R937 K939 F976	D855-K861 WeakPolarHBondContact OD1-CE 3.29Å; D855-K861 IonicContact OD1-NZ 2.87Å; D855-K861 PolarHBondContact OD1-NZ 3.4Å; D855-R937 IonicContact OD2-CZ 2.72Å; D855-R937 IonicContact OD2-NH1 3.16Å; D855-R937 IonicContact OD2-NH2 3.55Å; D855-R937 PolarHBondContact OD2-NH2 3.34Å; D855-K939 VanDerWaalsContact CB-NZ 3.29Å; D855-K939 WeakPolarHBondContact O-CE 3.17Å; D855-K939 PolarHBondContact O-NZ 2.81Å; D855-K939 WeakPolarHBondContact OD2-CD 3.44Å; D855-K939 WeakPolarHBondContact OD2-CE 3.47Å; D855-K939 IonicContact OD2-NZ 2.72Å; D855-K939 PolarHBondContact OD2-NZ 2.68Å; D855-F976 HydrophobicContact CB-CB 3.53Å; D855-F976 HydrophobicContact CB-CG 4.09Å
856	P	68.8	Low	72.6	Confident	26 Å²	26	60.8 Å²	60.8	17%	0.169	32%	0.319	C	S	.	.			trans	-74.1	158.8	176.9	28.9	-36.1	0	0	0	110.8	S854 H860 K861	S854-P856 WeakPolarHBondContact O-CD 3.17Å; P856-H860 HydrophobicContact CB-CB 4.24Å; P856-H860 WeakPolarHBondContact CB-ND1 3.44Å; P856-K861 HydrophobicContact CG-CD 4.44Å; P856-K861 HydrophobicContact CG-CG 3.7Å; P856-K861 VanDerWaalsContact O-CE 3.24Å; P856-K861 WeakPolarHBondContact O-CE 3.38Å
857	P	74.1	Confident	72.5	Confident	69 Å²	69	66.4 Å²	66.4	45%	0.448	34%	0.341	S	S	.	.			trans	-54.4	148.6	169.3	-23.1	33.7	0	0	0	112.2	D859 H860 K861 K939	P857-D859 VanDerWaalsContact C-N 3.28Å; P857-D859 PolarHBondContact O-N 3.4Å; P857-H860 WeakPolarHBondContact O-CB 3.47Å; P857-H860 PolarHBondContact O-N 2.89Å; P857-K861 PolarHBondContact O-N 2.84Å; P857-K939 CarbonylContact C-O 3.58Å; P857-K939 WeakPolarHBondContact CA-O 3.4Å
858	I	76.1	Confident	72.4	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.046	35%	0.354	C	S	.	.	H	α-helix	trans	-55.4	-40	-176.9	-169.3	172.7	0	0	0	113	H860 K861 T862 A890 K939 A941	I858-H860 PolarHBondContact O-N 3Å; I858-H860 VanDerWaalsContact O-N 3.09Å; I858-K861 WeakPolarHBondContact O-CA 3.48Å; I858-K861 WeakPolarHBondContact O-CB 3.39Å; I858-K861 PolarHBondContact O-N 3.46Å; I858-T862 PolarHBondContact O-N 3.05Å; I858-T862 PolarHBondContact O-OG1 3.42Å; I858-A890 WeakPolarHBondContact CD1-O 3.32Å; I858-K939 PolarHBondContact N-O 3.1Å; I858-A941 HydrophobicContact CG2-CB 3.93Å
859	D	71.4	Confident	72.6	Confident	102 Å²	102	67.8 Å²	67.8	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-52.6	-35.3	176.3	-67.9	-32.3	0	0	0	112.7	P857 H915	P857-D859 VanDerWaalsContact C-N 3.28Å; P857-D859 PolarHBondContact O-N 3.4Å; D859-H915 IonicContact OD1-CE1 2.83Å; D859-H915 PolarHBondContact OD1-CE1 2.9Å; D859-H915 IonicContact OD1-ND1 3.43Å; D859-H915 IonicContact OD1-NE2 3.85Å
860	H	69.2	Low	73	Confident	53 Å²	53	70 Å²	70	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-80.6	-40	177.2	-175.6	-119.9	0	0	0	111.7	T839 P856 P857 I858 T862 L863	T839-H860 WeakPolarHBondContact CG2-NE2 3.23Å; P856-H860 HydrophobicContact CB-CB 4.24Å; P856-H860 WeakPolarHBondContact CB-ND1 3.44Å; P857-H860 WeakPolarHBondContact O-CB 3.47Å; P857-H860 PolarHBondContact O-N 2.89Å; I858-H860 PolarHBondContact O-N 3Å; I858-H860 VanDerWaalsContact O-N 3.09Å; H860-T862 PolarHBondContact O-N 3.21Å; H860-L863 PolarHBondContact O-N 3.19Å; H860-L863 VanDerWaalsContact O-N 3.07Å
861	K	76.1	Confident	73.8	Confident	33 Å²	33	71.3 Å²	71.3	14%	0.143	36%	0.36	C	S	.	.	H	α-helix	trans	-56.3	-38.3	175.1	-66.6	-172.9	-176.6	178.6	0	111.1	D855 P856 P857 I858 L863 I864 K869 D965	D855-K861 WeakPolarHBondContact OD1-CE 3.29Å; D855-K861 IonicContact OD1-NZ 2.87Å; D855-K861 PolarHBondContact OD1-NZ 3.4Å; P856-K861 HydrophobicContact CG-CD 4.44Å; P856-K861 HydrophobicContact CG-CG 3.7Å; P856-K861 VanDerWaalsContact O-CE 3.24Å; P856-K861 WeakPolarHBondContact O-CE 3.38Å; P857-K861 PolarHBondContact O-N 2.84Å; I858-K861 WeakPolarHBondContact O-CA 3.48Å; I858-K861 WeakPolarHBondContact O-CB 3.39Å; I858-K861 PolarHBondContact O-N 3.46Å; K861-L863 PolarHBondContact O-N 2.96Å; K861-I864 PolarHBondContact O-N 2.97Å; K861-I864 VanDerWaalsContact O-N 3.12Å; K861-K869 PolarHBondContact O-NZ 2.81Å; K861-D965 IonicContact NZ-OD1 2.79Å; K861-D965 PolarHBondContact NZ-OD1 2.71Å; K861-D965 IonicContact NZ-OD2 2.93Å
862	T	74.5	Confident	75.4	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.16	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.6	178.3	-54	0	0	0	0	113.4	I858 H860 T866 L895	I858-T862 PolarHBondContact O-N 3.05Å; I858-T862 PolarHBondContact O-OG1 3.42Å; H860-T862 PolarHBondContact O-N 3.21Å; T862-T866 PolarHBondContact O-OG1 3.33Å; T862-L895 HydrophobicContact CG2-CD2 4.16Å
863	L	71.8	Confident	77.5	Confident	110 Å²	110	55.3 Å²	55.3	58%	0.576	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.9	-179.2	-59.3	175.9	0	0	0	113.9	H860 K861 T866	H860-L863 PolarHBondContact O-N 3.19Å; H860-L863 VanDerWaalsContact O-N 3.07Å; K861-L863 PolarHBondContact O-N 2.96Å; L863-T866 PolarHBondContact O-OG1 3.02Å
864	I	74.1	Confident	79.5	Confident	54 Å²	54	51.6 Å²	51.6	28%	0.277	27%	0.271	S	S	.	.	S	Bend	trans	-96.2	129.6	179.9	-60.5	170.9	0	0	0	109.2	K861 T866 K869	K861-I864 PolarHBondContact O-N 2.97Å; K861-I864 VanDerWaalsContact O-N 3.12Å; I864-T866 PolarHBondContact O-N 3.02Å; I864-K869 WeakPolarHBondContact O-CE 3.32Å; I864-K869 PolarHBondContact O-NZ 3.46Å
865	N	80.4	Confident	81.4	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	26%	0.255	C	S	.	.	S	Bend	trans	54.5	31.9	177.9	-61.3	-20.2	0	0	0	113.2	H867 K868 K869 D998	N865-H867 VanDerWaalsContact C-N 3.32Å; N865-H867 PolarHBondContact O-N 3.43Å; N865-K868 HydrophobicContact CB-CB 4.38Å; N865-K868 HydrophobicContact CB-CD 4.22Å; N865-K868 WeakPolarHBondContact O-CB 3.4Å; N865-K868 PolarHBondContact O-N 2.88Å; N865-K869 WeakPolarHBondContact O-CG 3.42Å; N865-K869 PolarHBondContact O-N 3.16Å; N865-D998 PolarHBondContact ND2-OD2 2.88Å
866	T	79.8	Confident	82.8	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-51.3	-47.5	-172.5	-51.7	0	0	0	0	112.6	T862 L863 I864 K868 K869 E870	T862-T866 PolarHBondContact O-OG1 3.33Å; L863-T866 PolarHBondContact O-OG1 3.02Å; I864-T866 PolarHBondContact O-N 3.02Å; T866-K868 VanDerWaalsContact C-N 3.34Å; T866-K868 PolarHBondContact O-N 2.97Å; T866-K869 CarbonylContact O-C 3.6Å; T866-K869 WeakPolarHBondContact O-CA 3.42Å; T866-K869 WeakPolarHBondContact O-CB 3.42Å; T866-K869 PolarHBondContact O-N 3.09Å; T866-E870 HydrophobicContact CG2-CG 4.45Å; T866-E870 WeakPolarHBondContact O-CG 3.46Å; T866-E870 PolarHBondContact O-N 3.06Å
867	H	83.1	Confident	84.1	Confident	128 Å²	128	47.2 Å²	47.2	59%	0.593	24%	0.244	S	C	*	.	H	α-helix	trans	-60.8	-40.1	179.4	-171.9	52.9	0	0	0	113.6	N865 K869 E870 L871	N865-H867 VanDerWaalsContact C-N 3.32Å; N865-H867 PolarHBondContact O-N 3.43Å; H867-K869 VanDerWaalsContact C-N 3.3Å; H867-K869 PolarHBondContact O-N 3.42Å; H867-E870 IonicContact ND1-OE2 3.68Å; H867-E870 PolarHBondContact O-N 3.23Å; H867-L871 WeakPolarHBondContact O-CG 3.4Å; H867-L871 PolarHBondContact O-N 2.87Å
868	K	88.8	Confident	85	Confident	63 Å²	63	47.9 Å²	47.9	27%	0.274	25%	0.25	S	C	.	.	H	α-helix	trans	-63.5	-40.1	174.6	-64.3	-179.6	166	-143.5	0	110.9	N865 T866 L871 I872 D998 S999 D1022	N865-K868 HydrophobicContact CB-CB 4.38Å; N865-K868 HydrophobicContact CB-CD 4.22Å; N865-K868 WeakPolarHBondContact O-CB 3.4Å; N865-K868 PolarHBondContact O-N 2.88Å; T866-K868 VanDerWaalsContact C-N 3.34Å; T866-K868 PolarHBondContact O-N 2.97Å; K868-L871 PolarHBondContact O-N 2.69Å; K868-I872 WeakPolarHBondContact O-CD1 3.24Å; K868-I872 VanDerWaalsContact O-CG1 3.22Å; K868-I872 WeakPolarHBondContact O-CG1 3.13Å; K868-I872 PolarHBondContact O-N 3.12Å; K868-D998 HydrophobicContact CB-CB 4.23Å; K868-D998 HydrophobicContact CD-CB 4.38Å; K868-S999 PolarHBondContact NZ-OG 3.32Å; K868-D1022 HydrophobicContact CB-CB 4.35Å; K868-D1022 HydrophobicContact CD-CB 4.48Å; K868-D1022 WeakPolarHBondContact CE-OD2 3.4Å; K868-D1022 HydrophobicContact CG-CB 4.36Å; K868-D1022 IonicContact NZ-OD1 2.92Å; K868-D1022 IonicContact NZ-OD2 3.93Å; K868-D1022 PolarHBondContact NZ-OD2 2.92Å
869	K	92.7	Very high	85.9	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-37	179.6	-65.6	176.8	175.4	169	0	112.8	K861 I864 N865 T866 H867 I872 A873 S892 T893 Q896	K861-K869 PolarHBondContact O-NZ 2.81Å; I864-K869 WeakPolarHBondContact O-CE 3.32Å; I864-K869 PolarHBondContact O-NZ 3.46Å; N865-K869 WeakPolarHBondContact O-CG 3.42Å; N865-K869 PolarHBondContact O-N 3.16Å; T866-K869 CarbonylContact O-C 3.6Å; T866-K869 WeakPolarHBondContact O-CA 3.42Å; T866-K869 WeakPolarHBondContact O-CB 3.42Å; T866-K869 PolarHBondContact O-N 3.09Å; H867-K869 VanDerWaalsContact C-N 3.3Å; H867-K869 PolarHBondContact O-N 3.42Å; K869-I872 PolarHBondContact O-N 3.21Å; K869-A873 VanDerWaalsContact O-CB 3.29Å; K869-A873 WeakPolarHBondContact O-CB 3.45Å; K869-A873 PolarHBondContact O-N 3Å; K869-S892 PolarHBondContact NZ-OG 2.97Å; K869-T893 HydrophobicContact CB-CG2 3.95Å; K869-T893 HydrophobicContact CG-CG2 3.94Å; K869-Q896 HydrophobicContact CB-CG 3.8Å
870	E	90.2	Very high	87.1	Confident	90 Å²	90	44.6 Å²	44.6	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-45.9	173.6	-71.9	166.7	174.9	0	0	111	T866 H867 I872 A873 E874	T866-E870 HydrophobicContact CG2-CG 4.45Å; T866-E870 WeakPolarHBondContact O-CG 3.46Å; T866-E870 PolarHBondContact O-N 3.06Å; H867-E870 IonicContact ND1-OE2 3.68Å; H867-E870 PolarHBondContact O-N 3.23Å; E870-I872 PolarHBondContact O-N 3.45Å; E870-A873 WeakPolarHBondContact O-CB 3.42Å; E870-A873 PolarHBondContact O-N 3.21Å; E870-E874 PolarHBondContact O-N 2.99Å
871	L	92	Very high	88.3	Confident	77 Å²	77	47.5 Å²	47.5	40%	0.403	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-42.7	176.2	-68.3	172.4	0	0	0	112.1	H867 K868 A873 E874 A875 T1043	H867-L871 WeakPolarHBondContact O-CG 3.4Å; H867-L871 PolarHBondContact O-N 2.87Å; K868-L871 PolarHBondContact O-N 2.69Å; L871-A873 VanDerWaalsContact C-N 3.32Å; L871-E874 PolarHBondContact O-N 3.08Å; L871-A875 PolarHBondContact O-N 3.44Å; L871-A875 VanDerWaalsContact O-N 3.13Å; L871-T1043 HydrophobicContact CB-CG2 4.23Å; L871-T1043 VanDerWaalsContact O-CG2 3.28Å; L871-T1043 WeakPolarHBondContact O-CG2 3.43Å
872	I	96.1	Very high	89.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-39.8	175.9	-67.2	164.6	0	0	0	110.7	K868 K869 E870 A875 A876 T893 M996 D998 I1020 T1043	K868-I872 WeakPolarHBondContact O-CD1 3.24Å; K868-I872 VanDerWaalsContact O-CG1 3.22Å; K868-I872 WeakPolarHBondContact O-CG1 3.13Å; K868-I872 PolarHBondContact O-N 3.12Å; K869-I872 PolarHBondContact O-N 3.21Å; E870-I872 PolarHBondContact O-N 3.45Å; I872-A875 PolarHBondContact O-N 3.3Å; I872-A876 WeakPolarHBondContact O-CB 3.27Å; I872-A876 PolarHBondContact O-N 3.36Å; I872-T893 HydrophobicContact CB-CG2 4.22Å; I872-T893 HydrophobicContact CG2-CG2 3.88Å; I872-M996 HydrophobicContact CG2-CB 3.89Å; I872-M996 HydrophobicContact CG2-CE 3.82Å; I872-M996 HydrophobicContact CG2-CG 4.22Å; I872-D998 HydrophobicContact CD1-CB 4.06Å; I872-I1020 HydrophobicContact CB-CG2 4.43Å; I872-I1020 HydrophobicContact CG2-CB 4.1Å; I872-I1020 HydrophobicContact CG2-CG2 3.85Å; I872-T1043 HydrophobicContact CB-CG2 4.36Å; I872-T1043 HydrophobicContact CG1-CG2 3.91Å
873	A	94.7	Very high	90.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-43	176.5	0	0	0	0	0	112.4	K869 E870 L871 A875 A876 V877 Q896 M897 L900 M996	K869-A873 VanDerWaalsContact O-CB 3.29Å; K869-A873 WeakPolarHBondContact O-CB 3.45Å; K869-A873 PolarHBondContact O-N 3Å; E870-A873 WeakPolarHBondContact O-CB 3.42Å; E870-A873 PolarHBondContact O-N 3.21Å; L871-A873 VanDerWaalsContact C-N 3.32Å; A873-A875 VanDerWaalsContact C-N 3.32Å; A873-A875 PolarHBondContact O-N 2.87Å; A873-A876 PolarHBondContact O-N 2.96Å; A873-A876 VanDerWaalsContact O-N 3.14Å; A873-V877 WeakPolarHBondContact O-CG2 3.35Å; A873-V877 PolarHBondContact O-N 2.86Å; A873-Q896 HydrophobicContact CB-CB 3.7Å; A873-M897 HydrophobicContact CB-CB 4.29Å; A873-M897 HydrophobicContact CB-CG 3.57Å; A873-L900 HydrophobicContact CB-CD1 4.37Å; A873-M996 HydrophobicContact CB-CE 4.3Å
874	E	93.6	Very high	91.3	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-43.5	176.6	-166.9	70.8	-156.6	0	0	111.4	E870 L871 V877 L900 R903	E870-E874 PolarHBondContact O-N 2.99Å; L871-E874 PolarHBondContact O-N 3.08Å; E874-V877 PolarHBondContact O-N 2.81Å; E874-L900 HydrophobicContact CB-CD1 4.38Å; E874-L900 WeakPolarHBondContact OE2-CD1 3.46Å; E874-L900 WeakPolarHBondContact OE2-CD2 3.45Å; E874-R903 IonicContact OE1-CZ 2.7Å; E874-R903 IonicContact OE1-NH1 3.47Å; E874-R903 PolarHBondContact OE1-NH1 3.16Å; E874-R903 IonicContact OE1-NH2 3.53Å; E874-R903 PolarHBondContact OE1-NH2 3.32Å; E874-R903 IonicContact OE2-NH2 2.71Å; E874-R903 PolarHBondContact OE2-NH2 2.72Å
875	A	94.8	Very high	92.4	Very high	20 Å²	20	45.9 Å²	45.9	17%	0.165	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-32.8	174.7	0	0	0	0	0	113	L871 I872 A873 V877 S878 F879 I1020 T1043	L871-A875 PolarHBondContact O-N 3.44Å; L871-A875 VanDerWaalsContact O-N 3.13Å; I872-A875 PolarHBondContact O-N 3.3Å; A873-A875 VanDerWaalsContact C-N 3.32Å; A873-A875 PolarHBondContact O-N 2.87Å; A875-V877 VanDerWaalsContact C-N 3.33Å; A875-S878 PolarHBondContact O-OG 3.13Å; A875-F879 VanDerWaalsContact O-CD2 3.27Å; A875-F879 WeakPolarHBondContact O-CD2 3.36Å; A875-F879 VanDerWaalsContact O-CE2 3.27Å; A875-F879 WeakPolarHBondContact O-CE2 3.21Å; A875-I1020 HydrophobicContact CB-CG2 3.8Å; A875-T1043 HydrophobicContact CB-CG2 3.83Å
876	A	96.5	Very high	93.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-36.4	176.2	0	0	0	0	0	112.2	I872 A873 S878 F879 M897 F961 M996 I1020	I872-A876 WeakPolarHBondContact O-CB 3.27Å; I872-A876 PolarHBondContact O-N 3.36Å; A873-A876 PolarHBondContact O-N 2.96Å; A873-A876 VanDerWaalsContact O-N 3.14Å; A876-S878 PolarHBondContact O-N 3.05Å; A876-F879 PolarHBondContact O-N 3.12Å; A876-M897 HydrophobicContact CB-CE 3.59Å; A876-M897 HydrophobicContact CB-CG 4.25Å; A876-M897 HydrophobicContact CB-SD 3.69Å; A876-F961 HydrophobicContact CB-CD1 4.01Å; A876-F961 HydrophobicContact CB-CE1 3.92Å; A876-F961 WeakPolarHBondContact O-CE1 3.08Å; A876-M996 HydrophobicContact CB-CE 3.6Å; A876-M996 HydrophobicContact CB-CG 4.37Å; A876-M996 HydrophobicContact CB-SD 3.93Å; A876-I1020 VanDerWaalsContact CA-CD1 3.4Å; A876-I1020 HydrophobicContact CB-CD1 3.7Å
877	V	95.2	Very high	94.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-25.2	-178.5	170.1	0	0	0	0	112.3	A873 E874 A875 F879 I880 M897 L900 F904	A873-V877 WeakPolarHBondContact O-CG2 3.35Å; A873-V877 PolarHBondContact O-N 2.86Å; E874-V877 PolarHBondContact O-N 2.81Å; A875-V877 VanDerWaalsContact C-N 3.33Å; V877-F879 PolarHBondContact O-N 3.07Å; V877-F879 VanDerWaalsContact O-N 3.12Å; V877-I880 PolarHBondContact O-N 3.24Å; V877-I880 VanDerWaalsContact O-N 3.1Å; V877-M897 HydrophobicContact CG2-CB 4.06Å; V877-M897 HydrophobicContact CG2-CE 3.88Å; V877-M897 HydrophobicContact CG2-CG 4.22Å; V877-L900 HydrophobicContact CB-CB 4.45Å; V877-L900 HydrophobicContact CG1-CB 4.22Å; V877-L900 HydrophobicContact CG2-CB 3.77Å; V877-L900 HydrophobicContact CG2-CD1 3.93Å; V877-F904 HydrophobicContact CG1-CE2 3.39Å; V877-F904 HydrophobicContact CG1-CZ 3.61Å
878	S	94	Very high	94.8	Very high	82 Å²	82	36.3 Å²	36.3	57%	0.573	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.9	175.5	66.7	0	0	0	0	114.4	A875 A876	A875-S878 PolarHBondContact O-OG 3.13Å; A876-S878 PolarHBondContact O-N 3.05Å
879	F	95.2	Very high	95.1	Very high	39 Å²	39	34 Å²	34	17%	0.171	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.9	175.2	-63.1	-80.4	0	0	0	113.3	A875 A876 V877 H881 K959 F961 I994 K1018 I1020 I1041	A875-F879 VanDerWaalsContact O-CD2 3.27Å; A875-F879 WeakPolarHBondContact O-CD2 3.36Å; A875-F879 VanDerWaalsContact O-CE2 3.27Å; A875-F879 WeakPolarHBondContact O-CE2 3.21Å; A876-F879 PolarHBondContact O-N 3.12Å; V877-F879 PolarHBondContact O-N 3.07Å; V877-F879 VanDerWaalsContact O-N 3.12Å; F879-H881 PolarHBondContact O-ND1 3.35Å; F879-K959 WeakPolarHBondContact O-CD 3.34Å; F879-K959 WeakPolarHBondContact O-CE 3.37Å; F879-K959 PolarHBondContact O-NZ 3.41Å; F879-F961 HydrophobicContact CB-CZ 4.44Å; F879-I994 HydrophobicContact CB-CD1 4.06Å; F879-I994 HydrophobicContact CG-CD1 4.45Å; F879-K1018 HydrophobicContact CD1-CD 4.03Å; F879-K1018 HydrophobicContact CE1-CD 3.78Å; F879-K1018 HydrophobicContact CZ-CD 4.22Å; F879-I1020 HydrophobicContact CD2-CD1 3.99Å; F879-I1020 HydrophobicContact CE2-CD1 3.81Å; F879-I1041 HydrophobicContact CE1-CD1 4.28Å; F879-I1041 HydrophobicContact CE2-CD1 3.7Å; F879-I1041 HydrophobicContact CZ-CD1 3.34Å; F879-I1041 HydrophobicContact CZ-CG1 4.27Å
880	I	96.6	Very high	95.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	20%	0.196	C	C	.	.			trans	-94.7	139.3	178.4	-57.5	176.5	0	0	0	109.1	V877 D884 I886 M897 L901 F904 I907 F961	V877-I880 PolarHBondContact O-N 3.24Å; V877-I880 VanDerWaalsContact O-N 3.1Å; I880-D884 WeakPolarHBondContact CA-OD2 3.43Å; I880-I886 HydrophobicContact CD1-CD1 3.95Å; I880-M897 HydrophobicContact CD1-CE 3.79Å; I880-L901 HydrophobicContact CD1-CD2 3.4Å; I880-F904 HydrophobicContact CB-CE1 4.3Å; I880-F904 HydrophobicContact CB-CE2 4.24Å; I880-F904 HydrophobicContact CB-CZ 4.07Å; I880-F904 HydrophobicContact CG2-CD1 4.2Å; I880-F904 HydrophobicContact CG2-CD2 4.09Å; I880-F904 HydrophobicContact CG2-CE1 4.33Å; I880-F904 HydrophobicContact CG2-CE2 4.26Å; I880-F904 HydrophobicContact CG2-CG 4.07Å; I880-F904 HydrophobicContact CG2-CZ 4.35Å; I880-F904 WeakPolarHBondContact O-CE1 3.22Å; I880-I907 HydrophobicContact CG2-CG2 4.42Å; I880-F961 HydrophobicContact CD1-CE2 3.77Å; I880-F961 HydrophobicContact CD1-CZ 3.89Å; I880-F961 HydrophobicContact CG1-CE2 3.68Å; I880-F961 HydrophobicContact CG1-CZ 3.53Å
881	H	95	Very high	95.1	Very high	113 Å²	113	30.8 Å²	30.8	52%	0.523	18%	0.182	S	C	.	.			trans	-127.3	155.7	174.8	-55.2	80.5	0	0	0	110.1	F879 G883 D884	F879-H881 PolarHBondContact O-ND1 3.35Å; H881-G883 PolarHBondContact O-N 3.45Å; H881-D884 PolarHBondContact N-OD2 3Å; H881-D884 IonicContact ND1-OD2 3.49Å; H881-D884 VanDerWaalsContact O-CB 3.27Å; H881-D884 WeakPolarHBondContact O-CB 3.48Å; H881-D884 PolarHBondContact O-N 3.03Å; H881-D884 VanDerWaalsContact O-N 3.1Å
882	D	94.7	Very high	95	Very high	104 Å²	104	27.8 Å²	27.8	56%	0.556	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	134.2	171.8	-73.4	-15.4	0	0	0	110.6	F904 N905	D882-F904 WeakPolarHBondContact OD1-CA 3.18Å; D882-F904 VanDerWaalsContact OD1-CB 3.3Å; D882-F904 WeakPolarHBondContact OD1-CB 3.21Å; D882-N905 WeakPolarHBondContact CA-O 3.33Å; D882-N905 WeakPolarHBondContact CB-O 3.31Å; D882-N905 PolarHBondContact OD1-N 3.36Å
883	G	92.4	Very high	94.9	Very high	42 Å²	42	28.1 Å²	28.1	43%	0.433	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-8.3	-175.7	0	0	0	0	0	115.5	H881 N906	H881-G883 PolarHBondContact O-N 3.45Å; G883-N906 WeakPolarHBondContact CA-O 3.27Å; G883-N906 PolarHBondContact N-O 3.45Å
884	D	96.9	Very high	95	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.107	17%	0.169	C	C	.	.			trans	-64	142.6	178.7	-84.2	-24	0	0	0	112.1	I880 H881 I886 I907 T908 K959	I880-D884 WeakPolarHBondContact CA-OD2 3.43Å; H881-D884 PolarHBondContact N-OD2 3Å; H881-D884 IonicContact ND1-OD2 3.49Å; H881-D884 VanDerWaalsContact O-CB 3.27Å; H881-D884 WeakPolarHBondContact O-CB 3.48Å; H881-D884 PolarHBondContact O-N 3.03Å; H881-D884 VanDerWaalsContact O-N 3.1Å; D884-I886 HydrophobicContact CB-CG2 3.95Å; D884-I907 WeakPolarHBondContact O-CA 3.33Å; D884-T908 PolarHBondContact O-N 3.3Å; D884-K959 IonicContact OD1-NZ 3.04Å; D884-K959 PolarHBondContact OD1-NZ 3.45Å; D884-K959 IonicContact OD2-NZ 3.97Å; D884-K959 PolarHBondContact OD2-NZ 3.11Å
885	S	97.5	Very high	95	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.6	163.8	65.2	0	0	0	0	109.8	T908 F957 D958 K959	S885-T908 CarbonylContact C-O 3.55Å; S885-T908 WeakPolarHBondContact CA-O 3.43Å; S885-F957 WeakPolarHBondContact OG-CA 3.46Å; S885-D958 PolarHBondContact N-OD2 3.34Å; S885-D958 WeakPolarHBondContact O-CB 3.18Å; S885-D958 PolarHBondContact O-N 3.15Å; S885-D958 PolarHBondContact OG-N 3.17Å; S885-D958 VanDerWaalsContact OG-N 3.1Å; S885-D958 PolarHBondContact OG-OD2 3.42Å; S885-K959 PolarHBondContact O-N 3.12Å
886	I	98.2	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	-174.3	67.2	176.9	0	0	0	113.1	I880 D884 L888 L901 T908 V909 M910 K959 F961	I880-I886 HydrophobicContact CD1-CD1 3.95Å; D884-I886 HydrophobicContact CB-CG2 3.95Å; I886-L888 HydrophobicContact CD1-CD2 4.18Å; I886-L901 HydrophobicContact CD1-CD2 4.43Å; I886-T908 PolarHBondContact N-O 3.12Å; I886-V909 HydrophobicContact CD1-CG2 4.03Å; I886-V909 HydrophobicContact CG1-CB 4.33Å; I886-V909 HydrophobicContact CG1-CG1 4.22Å; I886-V909 HydrophobicContact CG1-CG2 3.91Å; I886-V909 WeakPolarHBondContact O-CA 3.45Å; I886-M910 PolarHBondContact O-N 3.1Å; I886-K959 CarbonylContact C-O 3.53Å; I886-K959 VanDerWaalsContact CA-O 3.31Å; I886-K959 WeakPolarHBondContact CA-O 3.21Å; I886-K959 HydrophobicContact CG2-CB 4.26Å; I886-F961 HydrophobicContact CB-CE2 4.43Å; I886-F961 HydrophobicContact CG2-CE2 4.21Å
887	I	98.2	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.9	168	-54.3	175.4	0	0	0	109.2	M910 F952 F957 K959 L960 F961 M986 A989 A990	I887-M910 CarbonylContact C-O 3.58Å; I887-M910 VanDerWaalsContact CA-O 3.28Å; I887-M910 WeakPolarHBondContact CA-O 3.47Å; I887-F952 HydrophobicContact CD1-CD1 4.02Å; I887-F952 HydrophobicContact CD1-CE1 4.25Å; I887-F952 HydrophobicContact CG1-CE1 4.44Å; I887-F952 HydrophobicContact CG2-CE1 3.77Å; I887-F952 HydrophobicContact CG2-CZ 4.45Å; I887-F957 HydrophobicContact CD1-CB 3.97Å; I887-F957 HydrophobicContact CD1-CD2 3.58Å; I887-F957 HydrophobicContact CD1-CE2 4.3Å; I887-F957 HydrophobicContact CD1-CG 3.9Å; I887-F957 HydrophobicContact CG1-CB 3.69Å; I887-F957 HydrophobicContact CG1-CD1 3.97Å; I887-F957 HydrophobicContact CG1-CD2 3.52Å; I887-F957 HydrophobicContact CG1-CE2 4.1Å; I887-F957 HydrophobicContact CG1-CG 3.44Å; I887-F957 VanDerWaalsContact CG1-CG 3.44Å; I887-K959 PolarHBondContact N-O 3.47Å; I887-L960 HydrophobicContact CB-CB 4.33Å; I887-L960 HydrophobicContact CB-CD1 3.75Å; I887-L960 HydrophobicContact CG2-CD1 3.59Å; I887-F961 PolarHBondContact O-N 3.27Å; I887-M986 HydrophobicContact CD1-CB 4.37Å; I887-M986 HydrophobicContact CG2-CB 4.12Å; I887-M986 HydrophobicContact CG2-CG 3.84Å; I887-M986 HydrophobicContact CG2-SD 3.9Å; I887-A989 HydrophobicContact CD1-CB 3.92Å; I887-A990 HydrophobicContact CD1-CB 4.28Å
888	L	97.7	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116	171	-57.1	-179	0	0	0	110.1	I886 V894 V898 L901 V909 M910 T911 I916 F961	I886-L888 HydrophobicContact CD1-CD2 4.18Å; L888-V894 HydrophobicContact CB-CG1 3.76Å; L888-V894 HydrophobicContact CD2-CG1 3.88Å; L888-V894 HydrophobicContact CG-CG1 4.3Å; L888-V898 HydrophobicContact CD1-CG2 4.47Å; L888-L901 HydrophobicContact CD1-CD1 3.92Å; L888-V909 HydrophobicContact CD1-CG1 3.59Å; L888-V909 HydrophobicContact CG-CG1 3.82Å; L888-M910 PolarHBondContact N-O 2.79Å; L888-T911 WeakPolarHBondContact O-CA 3.41Å; L888-T911 WeakPolarHBondContact O-CB 3.48Å; L888-T911 PolarHBondContact O-OG1 2.84Å; L888-I916 HydrophobicContact CB-CD1 4.07Å; L888-I916 HydrophobicContact CB-CG2 4.32Å; L888-I916 HydrophobicContact CD1-CG2 3.75Å; L888-F961 HydrophobicContact CD2-CB 3.92Å; L888-F961 HydrophobicContact CD2-CD2 3.91Å; L888-F961 HydrophobicContact CD2-CG 4.27Å
889	D	94.9	Very high	94.8	Very high	14 Å²	14	26.2 Å²	26.2	8%	0.075	16%	0.155	C	C	.	.			trans	-68	162.8	173.5	178.9	41.5	0	0	0	111.9	G891 I916 F961 M962 G963 S983 M986	D889-G891 PolarHBondContact O-N 2.81Å; D889-I916 WeakPolarHBondContact O-CD1 3.46Å; D889-F961 PolarHBondContact N-O 3.33Å; D889-M962 HydrophobicContact CB-CB 4.37Å; D889-M962 HydrophobicContact CB-CG 4.22Å; D889-G963 PolarHBondContact OD2-N 3.46Å; D889-S983 PolarHBondContact OD1-OG 3.46Å; D889-M986 HydrophobicContact CB-SD 4.18Å
890	A	92.3	Very high	94.8	Very high	15 Å²	15	25.8 Å²	25.8	12%	0.124	16%	0.155	C	C	.	.	S	Bend	trans	-73.7	31.5	178.1	0	0	0	0	0	114.2	I858	I858-A890 WeakPolarHBondContact CD1-O 3.32Å
891	G	91.6	Very high	94.8	Very high	11 Å²	11	25.6 Å²	25.6	11%	0.113	15%	0.154	C	C	.	.			trans	-84	140.9	-176.9	0	0	0	0	0	113.3	D889 T893 V894 L895	D889-G891 PolarHBondContact O-N 2.81Å; G891-T893 PolarHBondContact O-N 3.24Å; G891-V894 WeakPolarHBondContact O-CB 3.41Å; G891-V894 PolarHBondContact O-N 2.89Å; G891-L895 PolarHBondContact O-N 3.48Å
892	S	89.6	Confident	94.6	Very high	14 Å²	14	23 Å²	23	10%	0.098	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.1	176.3	66.1	0	0	0	0	113.9	K869	K869-S892 PolarHBondContact NZ-OG 2.97Å
893	T	93.4	Very high	94.5	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.043	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-40.5	175.3	-46.5	0	0	0	0	110.3	K869 I872 G891 L895 Q896 M996	K869-T893 HydrophobicContact CB-CG2 3.95Å; K869-T893 HydrophobicContact CG-CG2 3.94Å; I872-T893 HydrophobicContact CB-CG2 4.22Å; I872-T893 HydrophobicContact CG2-CG2 3.88Å; G891-T893 PolarHBondContact O-N 3.24Å; T893-L895 VanDerWaalsContact C-N 3.3Å; T893-L895 PolarHBondContact O-N 3.07Å; T893-Q896 WeakPolarHBondContact O-CB 3.28Å; T893-Q896 PolarHBondContact O-N 3.46Å; T893-Q896 VanDerWaalsContact O-N 3.09Å; T893-M996 HydrophobicContact CG2-CB 4.02Å; T893-M996 HydrophobicContact CG2-CE 3.95Å
894	V	96.3	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.6	-39.4	175.5	-174.6	0	0	0	0	110.8	L888 G891 Q896 M897 I916 F961 M996	L888-V894 HydrophobicContact CB-CG1 3.76Å; L888-V894 HydrophobicContact CD2-CG1 3.88Å; L888-V894 HydrophobicContact CG-CG1 4.3Å; G891-V894 WeakPolarHBondContact O-CB 3.41Å; G891-V894 PolarHBondContact O-N 2.89Å; V894-Q896 PolarHBondContact O-N 3Å; V894-Q896 VanDerWaalsContact O-N 3.16Å; V894-M897 VanDerWaalsContact O-CB 3.32Å; V894-M897 WeakPolarHBondContact O-CB 3.08Å; V894-M897 PolarHBondContact O-N 3.4Å; V894-I916 HydrophobicContact CG1-CD1 4.16Å; V894-F961 HydrophobicContact CG1-CB 4.32Å; V894-M996 HydrophobicContact CG2-SD 4.13Å
895	L	94	Very high	94.3	Very high	28 Å²	28	26.3 Å²	26.3	15%	0.147	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-56.5	-31.3	175	-177.4	63	0	0	0	113.2	T862 G891 T893 M897 V898 H915 I916 A919	T862-L895 HydrophobicContact CG2-CD2 4.16Å; G891-L895 PolarHBondContact O-N 3.48Å; T893-L895 VanDerWaalsContact C-N 3.3Å; T893-L895 PolarHBondContact O-N 3.07Å; L895-M897 PolarHBondContact O-N 2.6Å; L895-V898 HydrophobicContact CD1-CG2 4.27Å; L895-V898 PolarHBondContact O-N 3.01Å; L895-H915 HydrophobicContact CD1-CB 4.35Å; L895-I916 HydrophobicContact CD1-CG1 3.91Å; L895-A919 HydrophobicContact CD1-CB 4.34Å
896	Q	93.4	Very high	94.1	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.164	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.1	178	-59.3	-53.9	-56.3	0	0	112.9	K869 A873 T893 V894	K869-Q896 HydrophobicContact CB-CG 3.8Å; A873-Q896 HydrophobicContact CB-CB 3.7Å; T893-Q896 WeakPolarHBondContact O-CB 3.28Å; T893-Q896 PolarHBondContact O-N 3.46Å; T893-Q896 VanDerWaalsContact O-N 3.09Å; V894-Q896 PolarHBondContact O-N 3Å; V894-Q896 VanDerWaalsContact O-N 3.16Å
897	M	94.5	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-74.3	-28.2	174.6	-62.9	174.2	67	0	0	112.5	A873 A876 V877 I880 V894 L895 L900 L901 F961 M996	A873-M897 HydrophobicContact CB-CB 4.29Å; A873-M897 HydrophobicContact CB-CG 3.57Å; A876-M897 HydrophobicContact CB-CE 3.59Å; A876-M897 HydrophobicContact CB-CG 4.25Å; A876-M897 HydrophobicContact CB-SD 3.69Å; V877-M897 HydrophobicContact CG2-CB 4.06Å; V877-M897 HydrophobicContact CG2-CE 3.88Å; V877-M897 HydrophobicContact CG2-CG 4.22Å; I880-M897 HydrophobicContact CD1-CE 3.79Å; V894-M897 VanDerWaalsContact O-CB 3.32Å; V894-M897 WeakPolarHBondContact O-CB 3.08Å; V894-M897 PolarHBondContact O-N 3.4Å; L895-M897 PolarHBondContact O-N 2.6Å; M897-L900 WeakPolarHBondContact O-CA 3.4Å; M897-L900 VanDerWaalsContact O-CB 3.31Å; M897-L900 WeakPolarHBondContact O-CB 3.35Å; M897-L900 PolarHBondContact O-N 3.14Å; M897-L901 PolarHBondContact O-N 3.23Å; M897-F961 HydrophobicContact CE-CB 4.44Å; M897-F961 HydrophobicContact CE-CD1 3.54Å; M897-F961 HydrophobicContact CE-CD2 4.08Å; M897-F961 HydrophobicContact CE-CE1 3.67Å; M897-F961 HydrophobicContact CE-CE2 4.2Å; M897-F961 HydrophobicContact CE-CG 3.75Å; M897-F961 HydrophobicContact CE-CZ 3.99Å; M897-F961 HydrophobicContact SD-CB 4.03Å; M897-F961 HydrophobicContact SD-CD1 3.85Å; M897-F961 HydrophobicContact SD-CG 3.95Å; M897-M996 HydrophobicContact CG-CE 3.58Å; M897-M996 HydrophobicContact CG-SD 4.26Å; M897-M996 HydrophobicContact SD-CE 3.38Å; M897-M996 WeakPolarHBondContact SD-CE 3.43Å; M897-M996 HydrophobicContact SD-SD 3.26Å
898	V	95.7	Very high	94	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-55.7	-48.2	-167.7	179.4	0	0	0	0	112.8	L888 L895 L900 L901 I916 A919 L920 L923	L888-V898 HydrophobicContact CD1-CG2 4.47Å; L895-V898 HydrophobicContact CD1-CG2 4.27Å; L895-V898 PolarHBondContact O-N 3.01Å; V898-L900 PolarHBondContact O-N 3.24Å; V898-L900 VanDerWaalsContact O-N 3.09Å; V898-L901 WeakPolarHBondContact O-CB 3.5Å; V898-L901 PolarHBondContact O-N 3.34Å; V898-I916 HydrophobicContact CG2-CB 4.49Å; V898-I916 HydrophobicContact CG2-CG1 4.33Å; V898-I916 HydrophobicContact CG2-CG2 3.85Å; V898-A919 HydrophobicContact CB-CB 4.31Å; V898-A919 HydrophobicContact CG1-CB 3.63Å; V898-L920 HydrophobicContact CG1-CD2 3.84Å; V898-L920 HydrophobicContact CG1-CG 3.94Å; V898-L923 HydrophobicContact CG1-CD1 4.09Å; V898-L923 WeakPolarHBondContact O-CD1 3.45Å
899	P	92.8	Very high	94.1	Very high	80 Å²	80	32.1 Å²	32.1	52%	0.519	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-57.7	-29.1	178.1	-24.7	35.8	0	0	0	114	L901 S902	P899-L901 VanDerWaalsContact C-N 3.34Å; P899-S902 PolarHBondContact O-OG 3.45Å
900	L	95.2	Very high	94.2	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.157	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-82.1	-13.7	-178	-52.3	174.7	0	0	0	112.7	A873 E874 V877 M897 V898 S902 R903	A873-L900 HydrophobicContact CB-CD1 4.37Å; E874-L900 HydrophobicContact CB-CD1 4.38Å; E874-L900 WeakPolarHBondContact OE2-CD1 3.46Å; E874-L900 WeakPolarHBondContact OE2-CD2 3.45Å; V877-L900 HydrophobicContact CB-CB 4.45Å; V877-L900 HydrophobicContact CG1-CB 4.22Å; V877-L900 HydrophobicContact CG2-CB 3.77Å; V877-L900 HydrophobicContact CG2-CD1 3.93Å; M897-L900 WeakPolarHBondContact O-CA 3.4Å; M897-L900 VanDerWaalsContact O-CB 3.31Å; M897-L900 WeakPolarHBondContact O-CB 3.35Å; M897-L900 PolarHBondContact O-N 3.14Å; V898-L900 PolarHBondContact O-N 3.24Å; V898-L900 VanDerWaalsContact O-N 3.09Å; L900-S902 PolarHBondContact O-N 3.06Å; L900-R903 WeakPolarHBondContact O-CB 3.3Å; L900-R903 VanDerWaalsContact O-CG 3.28Å; L900-R903 WeakPolarHBondContact O-CG 3.42Å; L900-R903 PolarHBondContact O-N 2.65Å
901	L	95.9	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-70	-16.2	176.7	-62.4	178	0	0	0	113	I880 I886 L888 M897 V898 P899 R903 F904 I907 L920 L923 N925	I880-L901 HydrophobicContact CD1-CD2 3.4Å; I886-L901 HydrophobicContact CD1-CD2 4.43Å; L888-L901 HydrophobicContact CD1-CD1 3.92Å; M897-L901 PolarHBondContact O-N 3.23Å; V898-L901 WeakPolarHBondContact O-CB 3.5Å; V898-L901 PolarHBondContact O-N 3.34Å; P899-L901 VanDerWaalsContact C-N 3.34Å; L901-R903 PolarHBondContact O-N 2.88Å; L901-F904 PolarHBondContact O-N 2.71Å; L901-F904 VanDerWaalsContact O-N 3.07Å; L901-I907 HydrophobicContact CB-CD1 4.38Å; L901-L920 HydrophobicContact CD1-CD2 3.72Å; L901-L923 HydrophobicContact CB-CD1 4.1Å; L901-N925 PolarHBondContact O-ND2 3.11Å
902	S	92.4	Very high	94.6	Very high	59 Å²	59	30.3 Å²	30.3	41%	0.413	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-56.3	-16.9	170.6	56.1	0	0	0	0	113.8	P899 L900 F904	P899-S902 PolarHBondContact O-OG 3.45Å; L900-S902 PolarHBondContact O-N 3.06Å; S902-F904 VanDerWaalsContact C-N 3.26Å; S902-F904 PolarHBondContact O-N 2.85Å
903	R	92.5	Very high	94.8	Very high	135 Å²	135	29.7 Å²	29.7	51%	0.509	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-73.4	-14.5	177.1	-62.4	175.5	-174.8	-178.8	5	113.9	E874 L900 L901	E874-R903 IonicContact OE1-CZ 2.7Å; E874-R903 IonicContact OE1-NH1 3.47Å; E874-R903 PolarHBondContact OE1-NH1 3.16Å; E874-R903 IonicContact OE1-NH2 3.53Å; E874-R903 PolarHBondContact OE1-NH2 3.32Å; E874-R903 IonicContact OE2-NH2 2.71Å; E874-R903 PolarHBondContact OE2-NH2 2.72Å; L900-R903 WeakPolarHBondContact O-CB 3.3Å; L900-R903 VanDerWaalsContact O-CG 3.28Å; L900-R903 WeakPolarHBondContact O-CG 3.42Å; L900-R903 PolarHBondContact O-N 2.65Å; L901-R903 PolarHBondContact O-N 2.88Å
904	F	94.7	Very high	94.8	Very high	30 Å²	30	32.3 Å²	32.3	13%	0.132	17%	0.17	C	C	.	.			trans	-119.2	149.9	-174.1	-50.4	-83.6	0	0	0	111.1	V877 I880 D882 L901 S902 I907 N925	V877-F904 HydrophobicContact CG1-CE2 3.39Å; V877-F904 HydrophobicContact CG1-CZ 3.61Å; I880-F904 HydrophobicContact CB-CE1 4.3Å; I880-F904 HydrophobicContact CB-CE2 4.24Å; I880-F904 HydrophobicContact CB-CZ 4.07Å; I880-F904 HydrophobicContact CG2-CD1 4.2Å; I880-F904 HydrophobicContact CG2-CD2 4.09Å; I880-F904 HydrophobicContact CG2-CE1 4.33Å; I880-F904 HydrophobicContact CG2-CE2 4.26Å; I880-F904 HydrophobicContact CG2-CG 4.07Å; I880-F904 HydrophobicContact CG2-CZ 4.35Å; I880-F904 WeakPolarHBondContact O-CE1 3.22Å; D882-F904 WeakPolarHBondContact OD1-CA 3.18Å; D882-F904 VanDerWaalsContact OD1-CB 3.3Å; D882-F904 WeakPolarHBondContact OD1-CB 3.21Å; L901-F904 PolarHBondContact O-N 2.71Å; L901-F904 VanDerWaalsContact O-N 3.07Å; S902-F904 VanDerWaalsContact C-N 3.26Å; S902-F904 PolarHBondContact O-N 2.85Å; F904-I907 HydrophobicContact CB-CD1 4.46Å; F904-I907 HydrophobicContact CB-CG2 3.9Å; F904-N925 WeakPolarHBondContact O-CB 3.13Å; F904-N925 PolarHBondContact O-ND2 2.84Å
905	N	90.5	Very high	94.6	Very high	71 Å²	71	35 Å²	35	38%	0.38	18%	0.182	S	C	.	.	S	Bend	trans	-121.9	160.5	173	-68.1	-68.6	0	0	0	110.4	D882 I907 E926	D882-N905 WeakPolarHBondContact CA-O 3.33Å; D882-N905 WeakPolarHBondContact CB-O 3.31Å; D882-N905 PolarHBondContact OD1-N 3.36Å; N905-I907 VanDerWaalsContact C-N 3.25Å; N905-I907 PolarHBondContact O-N 2.81Å; N905-E926 CarbonylContact C-O 3.58Å; N905-E926 HydrophobicContact CB-CB 4.28Å; N905-E926 PolarHBondContact OD1-N 2.89Å
906	N	93.5	Very high	94.7	Very high	102 Å²	102	33.7 Å²	33.7	55%	0.545	18%	0.176	S	C	.	.	S	Bend	trans	57.2	33.8	180	-169.6	41.5	0	0	0	113.8	G883 E926	G883-N906 WeakPolarHBondContact CA-O 3.27Å; G883-N906 PolarHBondContact N-O 3.45Å; N906-E926 WeakPolarHBondContact CA-O 3.45Å; N906-E926 PolarHBondContact N-O 3.36Å
907	I	96.8	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	145	174.4	60.1	171.3	0	0	0	111.1	I880 D884 L901 F904 N905 V909 Q927 T928	I880-I907 HydrophobicContact CG2-CG2 4.42Å; D884-I907 WeakPolarHBondContact O-CA 3.33Å; L901-I907 HydrophobicContact CB-CD1 4.38Å; F904-I907 HydrophobicContact CB-CD1 4.46Å; F904-I907 HydrophobicContact CB-CG2 3.9Å; N905-I907 VanDerWaalsContact C-N 3.25Å; N905-I907 PolarHBondContact O-N 2.81Å; I907-V909 HydrophobicContact CD1-CG2 3.78Å; I907-V909 HydrophobicContact CG1-CG2 4.03Å; I907-Q927 HydrophobicContact CG1-CB 3.86Å; I907-Q927 CarbonylContact O-C 3.52Å; I907-Q927 VanDerWaalsContact O-CA 3.29Å; I907-Q927 WeakPolarHBondContact O-CA 3.21Å; I907-T928 PolarHBondContact O-N 3.41Å
908	T	97.5	Very high	94.8	Very high	42 Å²	42	37.2 Å²	37.2	26%	0.258	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.8	171.7	-60.5	0	0	0	0	109.3	D884 S885 I886 T928 L930 F957	D884-T908 PolarHBondContact O-N 3.3Å; S885-T908 CarbonylContact C-O 3.55Å; S885-T908 WeakPolarHBondContact CA-O 3.43Å; I886-T908 PolarHBondContact N-O 3.12Å; T908-T928 CarbonylContact C-O 3.58Å; T908-T928 WeakPolarHBondContact CA-O 3.34Å; T908-T928 HydrophobicContact CG2-CG2 4.31Å; T908-L930 HydrophobicContact CG2-CD1 3.86Å; T908-L930 HydrophobicContact CG2-CG 4.29Å; T908-F957 HydrophobicContact CG2-CE1 4.36Å
909	V	97.9	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.5	-174.7	-172.5	0	0	0	0	110.1	I886 L888 I907 L920 T928 I929 L930	I886-V909 HydrophobicContact CD1-CG2 4.03Å; I886-V909 HydrophobicContact CG1-CB 4.33Å; I886-V909 HydrophobicContact CG1-CG1 4.22Å; I886-V909 HydrophobicContact CG1-CG2 3.91Å; I886-V909 WeakPolarHBondContact O-CA 3.45Å; L888-V909 HydrophobicContact CD1-CG1 3.59Å; L888-V909 HydrophobicContact CG-CG1 3.82Å; I907-V909 HydrophobicContact CD1-CG2 3.78Å; I907-V909 HydrophobicContact CG1-CG2 4.03Å; V909-L920 HydrophobicContact CB-CD1 4.26Å; V909-L920 HydrophobicContact CG1-CD1 3.76Å; V909-T928 PolarHBondContact N-O 3.07Å; V909-I929 WeakPolarHBondContact O-CA 3.19Å; V909-L930 PolarHBondContact O-N 3.34Å
910	M	97.5	Very high	94.8	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.2	170.8	-168.8	171.9	179.2	0	0	111.9	I886 I887 L888 L930 P932 A951 F952 F955 F957	I886-M910 PolarHBondContact O-N 3.1Å; I887-M910 CarbonylContact C-O 3.58Å; I887-M910 VanDerWaalsContact CA-O 3.28Å; I887-M910 WeakPolarHBondContact CA-O 3.47Å; L888-M910 PolarHBondContact N-O 2.79Å; M910-L930 VanDerWaalsContact CA-O 3.24Å; M910-L930 WeakPolarHBondContact CA-O 3.41Å; M910-L930 HydrophobicContact CB-CB 3.96Å; M910-L930 HydrophobicContact CG-CB 3.86Å; M910-L930 HydrophobicContact SD-CB 4.43Å; M910-P932 HydrophobicContact CE-CB 3.88Å; M910-P932 HydrophobicContact CE-CG 4.06Å; M910-A951 HydrophobicContact CE-CB 3.88Å; M910-F952 HydrophobicContact CB-CE1 4.38Å; M910-F952 HydrophobicContact CE-CD1 3.81Å; M910-F952 HydrophobicContact CE-CD2 4.46Å; M910-F952 HydrophobicContact CE-CE1 3.72Å; M910-F952 HydrophobicContact CE-CE2 4.37Å; M910-F952 HydrophobicContact CE-CG 4.18Å; M910-F952 HydrophobicContact CE-CZ 4.01Å; M910-F952 HydrophobicContact CG-CD1 4.37Å; M910-F952 HydrophobicContact CG-CE1 3.64Å; M910-F952 HydrophobicContact CG-CZ 4.18Å; M910-F952 HydrophobicContact SD-CD1 3.76Å; M910-F952 HydrophobicContact SD-CE1 3.63Å; M910-F952 HydrophobicContact SD-CZ 4.41Å; M910-F955 HydrophobicContact CE-CD2 4.21Å; M910-F955 HydrophobicContact CE-CE2 4.44Å; M910-F955 HydrophobicContact SD-CD2 3.95Å; M910-F957 HydrophobicContact CB-CE1 3.62Å; M910-F957 HydrophobicContact CB-CE2 3.98Å; M910-F957 HydrophobicContact CB-CZ 3.28Å; M910-F957 HydrophobicContact CG-CE2 4.38Å; M910-F957 HydrophobicContact CG-CZ 3.97Å; M910-F957 HydrophobicContact SD-CE2 3.51Å; M910-F957 VanDerWaalsContact SD-CE2 3.51Å; M910-F957 HydrophobicContact SD-CZ 3.49Å; M910-F957 WeakPolarHBondContact SD-CZ 3.33Å
911	T	96.9	Very high	94.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.			trans	-150.4	140.9	178.5	-174.5	0	0	0	0	111.6	L888 S913 I916 V917 L930 P932	L888-T911 WeakPolarHBondContact O-CA 3.41Å; L888-T911 WeakPolarHBondContact O-CB 3.48Å; L888-T911 PolarHBondContact O-OG1 2.84Å; T911-S913 VanDerWaalsContact C-N 3.29Å; T911-S913 PolarHBondContact OG1-N 2.8Å; T911-I916 HydrophobicContact CG2-CB 4.01Å; T911-I916 HydrophobicContact CG2-CG2 3.75Å; T911-V917 HydrophobicContact CG2-CG2 3.56Å; T911-L930 PolarHBondContact N-O 2.89Å; T911-L930 VanDerWaalsContact N-O 3.08Å; T911-P932 WeakPolarHBondContact O-CD 3.28Å
912	N	95	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-86	0.4	171.6	73.5	-27.3	0	0	0	113.1	P932 S942 F943 F952 M986	N912-P932 HydrophobicContact CB-CG 3.77Å; N912-S942 CarbonylContact O-C 3.55Å; N912-S942 WeakPolarHBondContact O-CA 3.15Å; N912-S942 VanDerWaalsContact O-CB 3.24Å; N912-S942 WeakPolarHBondContact O-CB 3.42Å; N912-F943 WeakPolarHBondContact CB-O 3.49Å; N912-F943 PolarHBondContact ND2-O 3.42Å; N912-F943 PolarHBondContact O-N 3.03Å; N912-F952 HydrophobicContact CB-CE2 4.45Å; N912-M986 HydrophobicContact CB-CE 4.09Å; N912-M986 VanDerWaalsContact CG-CE 3.43Å; N912-M986 WeakPolarHBondContact OD1-CE 3.42Å
913	S	95.3	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-90.8	123.3	-175.5	177.2	0	0	0	0	112.2	T911 H915 I916 V917	T911-S913 VanDerWaalsContact C-N 3.29Å; T911-S913 PolarHBondContact OG1-N 2.8Å; S913-H915 VanDerWaalsContact C-N 3.3Å; S913-H915 PolarHBondContact O-N 2.89Å; S913-H915 PolarHBondContact OG-N 2.93Å; S913-I916 PolarHBondContact O-N 3.26Å; S913-I916 PolarHBondContact OG-N 2.8Å; S913-V917 PolarHBondContact O-N 3.26Å; S913-V917 VanDerWaalsContact O-N 3.11Å
914	L	93.9	Very high	94.3	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-67.3	-32.6	175.5	-176.2	61.5	0	0	0	112	N918 M931 F936 A941	L914-N918 WeakPolarHBondContact O-CB 3.48Å; L914-N918 VanDerWaalsContact O-CG 3.24Å; L914-N918 PolarHBondContact O-N 2.85Å; L914-N918 PolarHBondContact O-ND2 3.04Å; L914-M931 HydrophobicContact CB-CE 4.07Å; L914-M931 HydrophobicContact CD1-CE 4.06Å; L914-F936 HydrophobicContact CB-CE2 4.02Å; L914-F936 HydrophobicContact CD2-CE2 3.89Å; L914-F936 HydrophobicContact CD2-CZ 4.16Å; L914-A941 PolarHBondContact N-O 3.17Å
915	H	91.9	Very high	94	Very high	57 Å²	57	45.3 Å²	45.3	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-41.5	175.8	-74.3	-88.3	0	0	0	112.2	D859 L895 S913 A919 A941	D859-H915 IonicContact OD1-CE1 2.83Å; D859-H915 PolarHBondContact OD1-CE1 2.9Å; D859-H915 IonicContact OD1-ND1 3.43Å; D859-H915 IonicContact OD1-NE2 3.85Å; L895-H915 HydrophobicContact CD1-CB 4.35Å; S913-H915 VanDerWaalsContact C-N 3.3Å; S913-H915 PolarHBondContact O-N 2.89Å; S913-H915 PolarHBondContact OG-N 2.93Å; H915-A919 WeakPolarHBondContact O-CB 3.13Å; H915-A919 PolarHBondContact O-N 2.66Å; H915-A941 WeakPolarHBondContact CD2-CB 3.21Å; H915-A941 WeakPolarHBondContact NE2-CB 3.5Å
916	I	95.9	Very high	93.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-44.3	-179.6	-65.9	178.7	0	0	0	109.4	L888 D889 V894 L895 V898 T911 S913 N918 A919 L920	L888-I916 HydrophobicContact CB-CD1 4.07Å; L888-I916 HydrophobicContact CB-CG2 4.32Å; L888-I916 HydrophobicContact CD1-CG2 3.75Å; D889-I916 WeakPolarHBondContact O-CD1 3.46Å; V894-I916 HydrophobicContact CG1-CD1 4.16Å; L895-I916 HydrophobicContact CD1-CG1 3.91Å; V898-I916 HydrophobicContact CG2-CB 4.49Å; V898-I916 HydrophobicContact CG2-CG1 4.33Å; V898-I916 HydrophobicContact CG2-CG2 3.85Å; T911-I916 HydrophobicContact CG2-CB 4.01Å; T911-I916 HydrophobicContact CG2-CG2 3.75Å; S913-I916 PolarHBondContact O-N 3.26Å; S913-I916 PolarHBondContact OG-N 2.8Å; I916-N918 PolarHBondContact O-N 2.91Å; I916-A919 PolarHBondContact O-N 2.69Å; I916-L920 HydrophobicContact CG2-CD1 3.68Å; I916-L920 HydrophobicContact CG2-CG 4.06Å; I916-L920 WeakPolarHBondContact O-CB 3.08Å; I916-L920 WeakPolarHBondContact O-CG 3.22Å; I916-L920 PolarHBondContact O-N 2.82Å
917	V	95.9	Very high	93.8	Very high	26 Å²	26	45.3 Å²	45.3	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-45.6	176	172	0	0	0	0	112.1	T911 S913 A919 L920 S921 I929 M931	T911-V917 HydrophobicContact CG2-CG2 3.56Å; S913-V917 PolarHBondContact O-N 3.26Å; S913-V917 VanDerWaalsContact O-N 3.11Å; V917-A919 PolarHBondContact O-N 3.18Å; V917-L920 PolarHBondContact O-N 3.26Å; V917-S921 WeakPolarHBondContact O-CB 3.24Å; V917-S921 PolarHBondContact O-N 2.97Å; V917-I929 HydrophobicContact CG1-CG2 4.45Å; V917-I929 HydrophobicContact CG2-CG2 4.16Å; V917-M931 HydrophobicContact CB-CE 4.2Å; V917-M931 HydrophobicContact CB-SD 4.4Å; V917-M931 HydrophobicContact CG1-SD 4.47Å; V917-M931 HydrophobicContact CG2-CB 4.16Å; V917-M931 HydrophobicContact CG2-CE 3.71Å; V917-M931 HydrophobicContact CG2-CG 3.95Å; V917-M931 HydrophobicContact CG2-SD 3.83Å
918	N	93.4	Very high	93.8	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-44.6	177.7	-70.6	-12.4	0	0	0	111.4	L914 I916 S921 E922	L914-N918 WeakPolarHBondContact O-CB 3.48Å; L914-N918 VanDerWaalsContact O-CG 3.24Å; L914-N918 PolarHBondContact O-N 2.85Å; L914-N918 PolarHBondContact O-ND2 3.04Å; I916-N918 PolarHBondContact O-N 2.91Å; N918-S921 PolarHBondContact O-N 2.96Å; N918-S921 PolarHBondContact O-OG 3.19Å; N918-E922 PolarHBondContact O-N 3.09Å
919	A	92.9	Very high	93.8	Very high	27 Å²	27	49.7 Å²	49.7	22%	0.223	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-37.1	178.1	0	0	0	0	0	112.6	L895 V898 H915 I916 V917 S921 E922	L895-A919 HydrophobicContact CD1-CB 4.34Å; V898-A919 HydrophobicContact CB-CB 4.31Å; V898-A919 HydrophobicContact CG1-CB 3.63Å; H915-A919 WeakPolarHBondContact O-CB 3.13Å; H915-A919 PolarHBondContact O-N 2.66Å; I916-A919 PolarHBondContact O-N 2.69Å; V917-A919 PolarHBondContact O-N 3.18Å; A919-S921 VanDerWaalsContact C-N 3.34Å; A919-E922 PolarHBondContact O-N 2.93Å
920	L	95.2	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-38.9	173.8	-72.5	167.8	0	0	0	111.2	V898 L901 V909 I916 V917 E922 L923 Q927 I929	V898-L920 HydrophobicContact CG1-CD2 3.84Å; V898-L920 HydrophobicContact CG1-CG 3.94Å; L901-L920 HydrophobicContact CD1-CD2 3.72Å; V909-L920 HydrophobicContact CB-CD1 4.26Å; V909-L920 HydrophobicContact CG1-CD1 3.76Å; I916-L920 HydrophobicContact CG2-CD1 3.68Å; I916-L920 HydrophobicContact CG2-CG 4.06Å; I916-L920 WeakPolarHBondContact O-CB 3.08Å; I916-L920 WeakPolarHBondContact O-CG 3.22Å; I916-L920 PolarHBondContact O-N 2.82Å; V917-L920 PolarHBondContact O-N 3.26Å; L920-E922 PolarHBondContact O-N 3.3Å; L920-E922 VanDerWaalsContact O-N 3.17Å; L920-L923 HydrophobicContact CD2-CD1 4.15Å; L920-L923 WeakPolarHBondContact O-CB 3.13Å; L920-L923 PolarHBondContact O-N 2.83Å; L920-Q927 PolarHBondContact O-NE2 2.79Å; L920-I929 HydrophobicContact CB-CD1 3.68Å; L920-I929 HydrophobicContact CB-CG1 4.41Å; L920-I929 HydrophobicContact CD1-CG1 4.44Å; L920-I929 HydrophobicContact CD1-CG2 4.35Å
921	S	92.6	Very high	93.6	Very high	83 Å²	83	55.5 Å²	55.5	58%	0.58	30%	0.295	S	S	*	.	H	α-helix	trans	-65.7	-15.5	179.7	75.4	0	0	0	0	114.3	V917 N918 A919	V917-S921 WeakPolarHBondContact O-CB 3.24Å; V917-S921 PolarHBondContact O-N 2.97Å; N918-S921 PolarHBondContact O-N 2.96Å; N918-S921 PolarHBondContact O-OG 3.19Å; A919-S921 VanDerWaalsContact C-N 3.34Å
922	E	92.1	Very high	93.4	Very high	166 Å²	166	55.8 Å²	55.8	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.5	176	-66.8	180	-179.8	0	0	113	N918 A919 L920	N918-E922 PolarHBondContact O-N 3.09Å; A919-E922 PolarHBondContact O-N 2.93Å; L920-E922 PolarHBondContact O-N 3.3Å; L920-E922 VanDerWaalsContact O-N 3.17Å
923	L	93	Very high	93.2	Very high	38 Å²	38	57.5 Å²	57.5	20%	0.199	32%	0.315	C	S	.	.			trans	-87.4	139.8	179.7	-53.2	179.2	0	0	0	111.5	V898 L901 L920 N925	V898-L923 HydrophobicContact CG1-CD1 4.09Å; V898-L923 WeakPolarHBondContact O-CD1 3.45Å; L901-L923 HydrophobicContact CB-CD1 4.1Å; L920-L923 HydrophobicContact CD2-CD1 4.15Å; L920-L923 WeakPolarHBondContact O-CB 3.13Å; L920-L923 PolarHBondContact O-N 2.83Å; L923-N925 WeakPolarHBondContact CB-OD1 3.33Å; L923-N925 PolarHBondContact O-N 3.23Å
924	D	87.1	Confident	93	Very high	172 Å²	172	58.9 Å²	58.9	92%	0.92	33%	0.329	S	S	*	.			trans	-98.1	58.2	-179.8	-161.6	21.5	0	0	0	111.2
925	N	89.8	Confident	93	Very high	20 Å²	20	61 Å²	61	11%	0.107	35%	0.345	C	S	.	.	S	Bend	trans	-134.4	154	177.7	71.4	-55.2	0	0	0	111.3	L901 F904 L923 Q927	L901-N925 PolarHBondContact O-ND2 3.11Å; F904-N925 WeakPolarHBondContact O-CB 3.13Å; F904-N925 PolarHBondContact O-ND2 2.84Å; L923-N925 WeakPolarHBondContact CB-OD1 3.33Å; L923-N925 PolarHBondContact O-N 3.23Å; N925-Q927 PolarHBondContact O-N 3.43Å; N925-Q927 PolarHBondContact OD1-NE2 2.93Å
926	E	87.3	Confident	93	Very high	136 Å²	136	62.5 Å²	62.5	64%	0.636	35%	0.351	S	S	*	.			trans	-74.2	109.3	179.9	-169.7	175.7	-171	0	0	110	N905 N906	N905-E926 CarbonylContact C-O 3.58Å; N905-E926 HydrophobicContact CB-CB 4.28Å; N905-E926 PolarHBondContact OD1-N 2.89Å; N906-E926 WeakPolarHBondContact CA-O 3.45Å; N906-E926 PolarHBondContact N-O 3.36Å
927	Q	93.1	Very high	92.7	Very high	36 Å²	36	65 Å²	65	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.1	-179.5	58.8	-178.1	-16.1	0	0	112.5	I907 L920 N925 I929	I907-Q927 HydrophobicContact CG1-CB 3.86Å; I907-Q927 CarbonylContact O-C 3.52Å; I907-Q927 VanDerWaalsContact O-CA 3.29Å; I907-Q927 WeakPolarHBondContact O-CA 3.21Å; L920-Q927 PolarHBondContact O-NE2 2.79Å; N925-Q927 PolarHBondContact O-N 3.43Å; N925-Q927 PolarHBondContact OD1-NE2 2.93Å; Q927-I929 HydrophobicContact CG-CG1 4.26Å
928	T	96.8	Very high	92.1	Very high	76 Å²	76	72.5 Å²	72.5	47%	0.466	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.5	171.8	-63.1	0	0	0	0	109.4	I907 T908 V909 L930	I907-T928 PolarHBondContact O-N 3.41Å; T908-T928 CarbonylContact C-O 3.58Å; T908-T928 WeakPolarHBondContact CA-O 3.34Å; T908-T928 HydrophobicContact CG2-CG2 4.31Å; V909-T928 PolarHBondContact N-O 3.07Å; T928-L930 HydrophobicContact CG2-CD2 4.35Å; T928-L930 HydrophobicContact CG2-CG 4.5Å
929	I	97	Very high	91.6	Very high	59 Å²	59	72.4 Å²	72.4	30%	0.303	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.5	-179.2	-55.5	170.2	0	0	0	109.7	V909 V917 L920 Q927	V909-I929 WeakPolarHBondContact O-CA 3.19Å; V917-I929 HydrophobicContact CG1-CG2 4.45Å; V917-I929 HydrophobicContact CG2-CG2 4.16Å; L920-I929 HydrophobicContact CB-CD1 3.68Å; L920-I929 HydrophobicContact CB-CG1 4.41Å; L920-I929 HydrophobicContact CD1-CG1 4.44Å; L920-I929 HydrophobicContact CD1-CG2 4.35Å; Q927-I929 HydrophobicContact CG-CG1 4.26Å
930	L	95.8	Very high	91.3	Very high	55 Å²	55	71.8 Å²	71.8	29%	0.288	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.4	174.3	-60.4	177.1	0	0	0	109.6	T908 V909 M910 T911 T928 F957	T908-L930 HydrophobicContact CG2-CD1 3.86Å; T908-L930 HydrophobicContact CG2-CG 4.29Å; V909-L930 PolarHBondContact O-N 3.34Å; M910-L930 VanDerWaalsContact CA-O 3.24Å; M910-L930 WeakPolarHBondContact CA-O 3.41Å; M910-L930 HydrophobicContact CB-CB 3.96Å; M910-L930 HydrophobicContact CG-CB 3.86Å; M910-L930 HydrophobicContact SD-CB 4.43Å; T911-L930 PolarHBondContact N-O 2.89Å; T911-L930 VanDerWaalsContact N-O 3.08Å; T928-L930 HydrophobicContact CG2-CD2 4.35Å; T928-L930 HydrophobicContact CG2-CG 4.5Å; L930-F957 HydrophobicContact CD1-CZ 4.17Å
931	M	95.6	Very high	91.1	Very high	69 Å²	69	72 Å²	72	34%	0.34	38%	0.382	S	S	.	.			trans	-121.8	118.1	176.5	-166.6	-174.8	-149.1	0	0	109.8	L914 V917 F943	L914-M931 HydrophobicContact CB-CE 4.07Å; L914-M931 HydrophobicContact CD1-CE 4.06Å; V917-M931 HydrophobicContact CB-CE 4.2Å; V917-M931 HydrophobicContact CB-SD 4.4Å; V917-M931 HydrophobicContact CG1-SD 4.47Å; V917-M931 HydrophobicContact CG2-CB 4.16Å; V917-M931 HydrophobicContact CG2-CE 3.71Å; V917-M931 HydrophobicContact CG2-CG 3.95Å; V917-M931 HydrophobicContact CG2-SD 3.83Å; M931-F943 HydrophobicContact CE-CD2 3.54Å; M931-F943 HydrophobicContact CE-CE2 3.4Å; M931-F943 HydrophobicContact SD-CD2 4.19Å; M931-F943 HydrophobicContact SD-CE2 3.85Å
932	P	92.2	Very high	91.1	Very high	6 Å²	6	68.1 Å²	68.1	4%	0.039	36%	0.355	C	S	.	.			trans	-69.3	139.7	172.6	31.3	-32.2	0	0	0	110.2	M910 T911 N912 A948 A951 F952	M910-P932 HydrophobicContact CE-CB 3.88Å; M910-P932 HydrophobicContact CE-CG 4.06Å; T911-P932 WeakPolarHBondContact O-CD 3.28Å; N912-P932 HydrophobicContact CB-CG 3.77Å; P932-A948 HydrophobicContact CB-CB 4.37Å; P932-A951 HydrophobicContact CB-CB 3.62Å; P932-F952 HydrophobicContact CB-CE2 4.42Å; P932-F952 HydrophobicContact CG-CE2 3.76Å; P932-F952 HydrophobicContact CG-CZ 3.9Å
933	G	90.3	Very high	91.2	Very high	36 Å²	36	62.3 Å²	62.3	37%	0.371	33%	0.327	S	S	.	.			trans	-72.8	178.9	169.1	0	0	0	0	0	112.1	A948	G933-A948 WeakPolarHBondContact O-CA 3.44Å; G933-A948 WeakPolarHBondContact O-CB 3.19Å; G933-A948 PolarHBondContact O-N 2.79Å
934	G	91.8	Very high	91.2	Very high	30 Å²	30	60.8 Å²	60.8	31%	0.309	32%	0.319	S	S	.	.	S	Bend	trans	150.8	-160.6	174.3	0	0	0	0	0	112.6	F943 H944	G934-F943 WeakPolarHBondContact O-CD1 3.24Å; G934-H944 CarbonylContact C-O 3.6Å; G934-H944 WeakPolarHBondContact CA-O 3.42Å
935	T	92.9	Very high	91.4	Very high	106 Å²	106	53.7 Å²	53.7	65%	0.65	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.4	172.5	-58.4	0	0	0	0	109.5	R937 H944	T935-R937 PolarHBondContact O-N 3.22Å; T935-H944 PolarHBondContact N-O 2.92Å; T935-H944 PolarHBondContact O-N 2.84Å
936	F	93.2	Very high	91.5	Very high	88 Å²	88	58.4 Å²	58.4	39%	0.386	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.8	177.9	-179.1	-105.6	0	0	0	111.8	L914 K938 A941 F943	L914-F936 HydrophobicContact CB-CE2 4.02Å; L914-F936 HydrophobicContact CD2-CE2 3.89Å; L914-F936 HydrophobicContact CD2-CZ 4.16Å; F936-K938 HydrophobicContact CE1-CB 4.32Å; F936-A941 VanDerWaalsContact CE2-C 3.41Å; F936-A941 HydrophobicContact CE2-CB 4.25Å; F936-A941 HydrophobicContact CZ-CB 3.97Å; F936-F943 HydrophobicContact CB-CD1 4.1Å; F936-F943 HydrophobicContact CB-CE1 3.87Å; F936-F943 HydrophobicContact CB-CZ 4.47Å; F936-F943 HydrophobicContact CD2-CE1 4.33Å; F936-F943 HydrophobicContact CD2-CE2 4.29Å; F936-F943 HydrophobicContact CD2-CZ 4.19Å
937	R	88.2	Confident	91.7	Very high	55 Å²	55	57.6 Å²	57.6	21%	0.208	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	108.8	174.1	-175.6	177.5	178.9	-97.5	7.6	109.9	D855 T935 K939 S940 A941 S942	D855-R937 IonicContact OD2-CZ 2.72Å; D855-R937 IonicContact OD2-NH1 3.16Å; D855-R937 IonicContact OD2-NH2 3.55Å; D855-R937 PolarHBondContact OD2-NH2 3.34Å; T935-R937 PolarHBondContact O-N 3.22Å; R937-K939 HydrophobicContact CG-CB 4.48Å; R937-K939 PolarHBondContact O-N 3.07Å; R937-K939 VanDerWaalsContact O-N 3.07Å; R937-S940 PolarHBondContact NH1-OG 3.32Å; R937-S940 PolarHBondContact O-N 2.83Å; R937-A941 VanDerWaalsContact O-CA 3.24Å; R937-A941 WeakPolarHBondContact O-CA 3.5Å; R937-A941 PolarHBondContact O-N 3.47Å; R937-S942 PolarHBondContact N-O 2.99Å; R937-S942 PolarHBondContact O-N 2.71Å
938	K	84.1	Confident	91.7	Very high	183 Å²	183	55.9 Å²	55.9	80%	0.796	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.1	-178.2	-173.4	173.6	-178	177.4	0	114.7	F936 A941	F936-K938 HydrophobicContact CE1-CB 4.32Å; K938-A941 PolarHBondContact O-N 3.43Å
939	K	83.4	Confident	91.5	Very high	79 Å²	79	53.8 Å²	53.8	34%	0.343	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-38.2	-172.6	-165.9	173.5	-177	-158.4	0	113.6	D855 P857 I858 R937	D855-K939 VanDerWaalsContact CB-NZ 3.29Å; D855-K939 WeakPolarHBondContact O-CE 3.17Å; D855-K939 PolarHBondContact O-NZ 2.81Å; D855-K939 WeakPolarHBondContact OD2-CD 3.44Å; D855-K939 WeakPolarHBondContact OD2-CE 3.47Å; D855-K939 IonicContact OD2-NZ 2.72Å; D855-K939 PolarHBondContact OD2-NZ 2.68Å; P857-K939 CarbonylContact C-O 3.58Å; P857-K939 WeakPolarHBondContact CA-O 3.4Å; I858-K939 PolarHBondContact N-O 3.1Å; R937-K939 HydrophobicContact CG-CB 4.48Å; R937-K939 PolarHBondContact O-N 3.07Å; R937-K939 VanDerWaalsContact O-N 3.07Å
940	S	86	Confident	91.3	Very high	14 Å²	14	53.6 Å²	53.6	10%	0.098	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.4	169.3	54	0	0	0	0	112.6	R937 S942 H944	R937-S940 PolarHBondContact NH1-OG 3.32Å; R937-S940 PolarHBondContact O-N 2.83Å; S940-S942 WeakPolarHBondContact CB-OG 3.34Å; S940-S942 PolarHBondContact O-N 2.79Å; S940-S942 PolarHBondContact OG-OG 3.34Å; S940-H944 PolarHBondContact OG-NE2 2.68Å
941	A	90.3	Very high	91.2	Very high	6 Å²	6	52 Å²	52	5%	0.05	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	49.3	-172.9	0	0	0	0	0	112.9	I858 L914 H915 F936 R937 K938	I858-A941 HydrophobicContact CG2-CB 3.93Å; L914-A941 PolarHBondContact N-O 3.17Å; H915-A941 WeakPolarHBondContact CD2-CB 3.21Å; H915-A941 WeakPolarHBondContact NE2-CB 3.5Å; F936-A941 VanDerWaalsContact CE2-C 3.41Å; F936-A941 HydrophobicContact CE2-CB 4.25Å; F936-A941 HydrophobicContact CZ-CB 3.97Å; R937-A941 VanDerWaalsContact O-CA 3.24Å; R937-A941 WeakPolarHBondContact O-CA 3.5Å; R937-A941 PolarHBondContact O-N 3.47Å; K938-A941 PolarHBondContact O-N 3.43Å
942	S	93.3	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.4	-175.7	66	0	0	0	0	112	N912 R937 S940 H944	N912-S942 CarbonylContact O-C 3.55Å; N912-S942 WeakPolarHBondContact O-CA 3.15Å; N912-S942 VanDerWaalsContact O-CB 3.24Å; N912-S942 WeakPolarHBondContact O-CB 3.42Å; R937-S942 PolarHBondContact N-O 2.99Å; R937-S942 PolarHBondContact O-N 2.71Å; S940-S942 WeakPolarHBondContact CB-OG 3.34Å; S940-S942 PolarHBondContact O-N 2.79Å; S940-S942 PolarHBondContact OG-OG 3.34Å; S942-H944 PolarHBondContact O-CD2 3.36Å; S942-H944 PolarHBondContact OG-CD2 2.88Å; S942-H944 PolarHBondContact OG-NE2 3.36Å
943	F	94.7	Very high	91.1	Very high	44 Å²	44	54.7 Å²	54.7	19%	0.193	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.7	178.7	-69.1	-84	0	0	0	111.9	N912 M931 G934 F936	N912-F943 WeakPolarHBondContact CB-O 3.49Å; N912-F943 PolarHBondContact ND2-O 3.42Å; N912-F943 PolarHBondContact O-N 3.03Å; M931-F943 HydrophobicContact CE-CD2 3.54Å; M931-F943 HydrophobicContact CE-CE2 3.4Å; M931-F943 HydrophobicContact SD-CD2 4.19Å; M931-F943 HydrophobicContact SD-CE2 3.85Å; G934-F943 WeakPolarHBondContact O-CD1 3.24Å; F936-F943 HydrophobicContact CB-CD1 4.1Å; F936-F943 HydrophobicContact CB-CE1 3.87Å; F936-F943 HydrophobicContact CB-CZ 4.47Å; F936-F943 HydrophobicContact CD2-CE1 4.33Å; F936-F943 HydrophobicContact CD2-CE2 4.29Å; F936-F943 HydrophobicContact CD2-CZ 4.19Å
944	H	92.7	Very high	91.1	Very high	7 Å²	7	60 Å²	60	3%	0.032	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	174.1	-172.5	-71.1	-75	0	0	0	113.6	G934 T935 S940 S942 N977 V979 V982	G934-H944 CarbonylContact C-O 3.6Å; G934-H944 WeakPolarHBondContact CA-O 3.42Å; T935-H944 PolarHBondContact N-O 2.92Å; T935-H944 PolarHBondContact O-N 2.84Å; S940-H944 PolarHBondContact OG-NE2 2.68Å; S942-H944 PolarHBondContact O-CD2 3.36Å; S942-H944 PolarHBondContact OG-CD2 2.88Å; S942-H944 PolarHBondContact OG-NE2 3.36Å; H944-N977 PolarHBondContact CE1-ND2 3.2Å; H944-V979 HydrophobicContact CB-CB 4.16Å; H944-V979 HydrophobicContact CB-CG1 3.63Å; H944-V979 PolarHBondContact CE1-O 3.25Å; H944-V979 PolarHBondContact ND1-O 3.29Å; H944-V979 VanDerWaalsContact ND1-O 3.11Å; H944-V982 HydrophobicContact CB-CG2 4.44Å
945	G	91.2	Very high	91.1	Very high	22 Å²	22	63.2 Å²	63.2	23%	0.227	31%	0.31	C	S	.	.	S	Bend	trans	92	179.6	176.9	0	0	0	0	0	112.9	L947 A948 E949	G945-L947 PolarHBondContact O-N 2.96Å; G945-A948 WeakPolarHBondContact O-CA 3.43Å; G945-A948 WeakPolarHBondContact O-CB 3.2Å; G945-A948 PolarHBondContact O-N 2.84Å; G945-E949 PolarHBondContact O-N 2.83Å
946	Q	90.6	Very high	91.2	Very high	119 Å²	119	64.3 Å²	64.3	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-52.8	-35.6	-170.7	-162.9	69.3	48.8	0	0	114.1	A948 E949 N950	Q946-A948 VanDerWaalsContact C-N 3.34Å; Q946-A948 PolarHBondContact O-N 3.06Å; Q946-E949 PolarHBondContact O-N 2.65Å; Q946-N950 PolarHBondContact NE2-OD1 2.91Å; Q946-N950 VanDerWaalsContact O-CB 3.27Å; Q946-N950 WeakPolarHBondContact O-CB 3.44Å; Q946-N950 PolarHBondContact O-N 2.81Å; Q946-N950 PolarHBondContact O-OD1 2.82Å
947	L	91.8	Very high	91.4	Very high	120 Å²	120	60.5 Å²	60.5	63%	0.628	30%	0.3	S	S	*	.	H	α-helix	trans	-64.4	-40	177.8	-173.2	66.7	0	0	0	111.9	G945 A951	G945-L947 PolarHBondContact O-N 2.96Å; L947-A951 PolarHBondContact O-N 2.89Å
948	A	93.3	Very high	91.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72.1	-42.1	177.2	0	0	0	0	0	111.3	P932 G933 G945 Q946 A951 F952 V982	P932-A948 HydrophobicContact CB-CB 4.37Å; G933-A948 WeakPolarHBondContact O-CA 3.44Å; G933-A948 WeakPolarHBondContact O-CB 3.19Å; G933-A948 PolarHBondContact O-N 2.79Å; G945-A948 WeakPolarHBondContact O-CA 3.43Å; G945-A948 WeakPolarHBondContact O-CB 3.2Å; G945-A948 PolarHBondContact O-N 2.84Å; Q946-A948 VanDerWaalsContact C-N 3.34Å; Q946-A948 PolarHBondContact O-N 3.06Å; A948-A951 WeakPolarHBondContact O-CB 3.42Å; A948-A951 PolarHBondContact O-N 3.24Å; A948-F952 WeakPolarHBondContact O-CD2 3.33Å; A948-F952 PolarHBondContact O-N 2.93Å; A948-V982 HydrophobicContact CB-CG1 4.43Å; A948-V982 HydrophobicContact CB-CG2 3.93Å
949	E	93.3	Very high	92.6	Very high	31 Å²	31	53.1 Å²	53.1	15%	0.145	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-52.5	178	-65.4	172.3	-143.8	0	0	111.2	G945 Q946 A951 F952 E953 T981 V982 A985	G945-E949 PolarHBondContact O-N 2.83Å; Q946-E949 PolarHBondContact O-N 2.65Å; E949-A951 PolarHBondContact O-N 3.13Å; E949-F952 PolarHBondContact O-N 3.1Å; E949-F952 VanDerWaalsContact O-N 3.12Å; E949-E953 PolarHBondContact O-N 2.84Å; E949-T981 VanDerWaalsContact CD-OG1 3.25Å; E949-T981 WeakPolarHBondContact OE1-CB 3.44Å; E949-T981 PolarHBondContact OE1-OG1 3.06Å; E949-V982 HydrophobicContact CG-CB 4.44Å; E949-V982 HydrophobicContact CG-CG2 3.68Å; E949-A985 HydrophobicContact CB-CB 4.47Å
950	N	92.2	Very high	93.3	Very high	56 Å²	56	49.3 Å²	49.3	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-59.4	-34.9	178.6	-70.5	5.6	0	0	0	111.7	Q946 F952 E953 H954	Q946-N950 PolarHBondContact NE2-OD1 2.91Å; Q946-N950 VanDerWaalsContact O-CB 3.27Å; Q946-N950 WeakPolarHBondContact O-CB 3.44Å; Q946-N950 PolarHBondContact O-N 2.81Å; Q946-N950 PolarHBondContact O-OD1 2.82Å; N950-F952 VanDerWaalsContact C-N 3.31Å; N950-F952 PolarHBondContact O-N 2.77Å; N950-E953 PolarHBondContact O-N 2.95Å; N950-H954 PolarHBondContact O-N 2.96Å; N950-H954 PolarHBondContact O-ND1 2.79Å
951	A	93.8	Very high	93.9	Very high	22 Å²	22	48.7 Å²	48.7	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-45.2	178.8	0	0	0	0	0	110.9	M910 P932 L947 A948 E949 E953 H954 F955	M910-A951 HydrophobicContact CE-CB 3.88Å; P932-A951 HydrophobicContact CB-CB 3.62Å; L947-A951 PolarHBondContact O-N 2.89Å; A948-A951 WeakPolarHBondContact O-CB 3.42Å; A948-A951 PolarHBondContact O-N 3.24Å; E949-A951 PolarHBondContact O-N 3.13Å; A951-E953 VanDerWaalsContact C-N 3.31Å; A951-E953 PolarHBondContact O-N 3.25Å; A951-H954 PolarHBondContact O-N 2.82Å; A951-F955 WeakPolarHBondContact O-CD2 3.35Å
952	F	94.2	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-31.3	177.1	-71.6	-72.8	0	0	0	113.1	I887 M910 N912 P932 A948 E949 N950 H954 F955 V982 A985 M986 A989	I887-F952 HydrophobicContact CD1-CD1 4.02Å; I887-F952 HydrophobicContact CD1-CE1 4.25Å; I887-F952 HydrophobicContact CG1-CE1 4.44Å; I887-F952 HydrophobicContact CG2-CE1 3.77Å; I887-F952 HydrophobicContact CG2-CZ 4.45Å; M910-F952 HydrophobicContact CB-CE1 4.38Å; M910-F952 HydrophobicContact CE-CD1 3.81Å; M910-F952 HydrophobicContact CE-CD2 4.46Å; M910-F952 HydrophobicContact CE-CE1 3.72Å; M910-F952 HydrophobicContact CE-CE2 4.37Å; M910-F952 HydrophobicContact CE-CG 4.18Å; M910-F952 HydrophobicContact CE-CZ 4.01Å; M910-F952 HydrophobicContact CG-CD1 4.37Å; M910-F952 HydrophobicContact CG-CE1 3.64Å; M910-F952 HydrophobicContact CG-CZ 4.18Å; M910-F952 HydrophobicContact SD-CD1 3.76Å; M910-F952 HydrophobicContact SD-CE1 3.63Å; M910-F952 HydrophobicContact SD-CZ 4.41Å; N912-F952 HydrophobicContact CB-CE2 4.45Å; P932-F952 HydrophobicContact CB-CE2 4.42Å; P932-F952 HydrophobicContact CG-CE2 3.76Å; P932-F952 HydrophobicContact CG-CZ 3.9Å; A948-F952 WeakPolarHBondContact O-CD2 3.33Å; A948-F952 PolarHBondContact O-N 2.93Å; E949-F952 PolarHBondContact O-N 3.1Å; E949-F952 VanDerWaalsContact O-N 3.12Å; N950-F952 VanDerWaalsContact C-N 3.31Å; N950-F952 PolarHBondContact O-N 2.77Å; F952-H954 PolarHBondContact O-N 3.37Å; F952-F955 PolarHBondContact O-N 3.3Å; F952-F955 VanDerWaalsContact O-O 3.12Å; F952-V982 HydrophobicContact CD2-CG1 3.93Å; F952-V982 HydrophobicContact CE2-CG1 3.59Å; F952-A985 HydrophobicContact CB-CB 4.14Å; F952-M986 HydrophobicContact CD1-CG 3.99Å; F952-M986 HydrophobicContact CD2-CG 4.1Å; F952-M986 HydrophobicContact CE1-CE 4.37Å; F952-M986 HydrophobicContact CE1-CG 3.81Å; F952-M986 HydrophobicContact CE2-CE 3.74Å; F952-M986 HydrophobicContact CE2-CG 3.95Å; F952-M986 HydrophobicContact CG-CG 4.14Å; F952-M986 HydrophobicContact CZ-CE 3.54Å; F952-M986 HydrophobicContact CZ-CG 3.8Å; F952-M986 HydrophobicContact CZ-SD 4.38Å; F952-A989 HydrophobicContact CB-CB 4.27Å; F952-A989 WeakPolarHBondContact O-CB 3.46Å
953	E	91.5	Very high	94.1	Very high	131 Å²	131	48.9 Å²	48.9	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-67.3	-19.7	178.7	-65.8	179.2	169.2	0	0	114.2	E949 N950 A951	E949-E953 PolarHBondContact O-N 2.84Å; N950-E953 PolarHBondContact O-N 2.95Å; A951-E953 VanDerWaalsContact C-N 3.31Å; A951-E953 PolarHBondContact O-N 3.25Å
954	H	90.1	Very high	94.1	Very high	148 Å²	148	47.7 Å²	47.7	69%	0.685	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.3	-179.3	-68.6	82.5	0	0	0	113.6	N950 A951 F952	N950-H954 PolarHBondContact O-N 2.96Å; N950-H954 PolarHBondContact O-ND1 2.79Å; A951-H954 PolarHBondContact O-N 2.82Å; F952-H954 PolarHBondContact O-N 3.37Å
955	F	92.6	Very high	93.9	Very high	96 Å²	96	48 Å²	48	42%	0.421	25%	0.252	S	S	.	.			trans	-126.5	152.8	-178.5	-62.4	-73.2	0	0	0	111.2	M910 A951 F952 F957	M910-F955 HydrophobicContact CE-CD2 4.21Å; M910-F955 HydrophobicContact CE-CE2 4.44Å; M910-F955 HydrophobicContact SD-CD2 3.95Å; A951-F955 WeakPolarHBondContact O-CD2 3.35Å; F952-F955 PolarHBondContact O-N 3.3Å; F952-F955 VanDerWaalsContact O-O 3.12Å; F955-F957 HydrophobicContact CB-CD2 4.03Å; F955-F957 HydrophobicContact CB-CE2 3.35Å; F955-F957 HydrophobicContact CB-CZ 4.04Å; F955-F957 HydrophobicContact CG-CE2 4.15Å; F955-F957 HydrophobicContact CG-CZ 4.45Å
956	T	95.1	Very high	93.9	Very high	130 Å²	130	46.9 Å²	46.9	80%	0.798	24%	0.241	S	C	*	.			trans	-119.7	128.2	170.5	54.5	0	0	0	0	108.6	A989	T956-A989 WeakPolarHBondContact CA-O 3.43Å
957	F	97.8	Very high	94.1	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.5	179.7	-70.1	-92.9	0	0	0	110.9	S885 I887 T908 M910 L930 F955 A989 A990 R991	S885-F957 WeakPolarHBondContact OG-CA 3.46Å; I887-F957 HydrophobicContact CD1-CB 3.97Å; I887-F957 HydrophobicContact CD1-CD2 3.58Å; I887-F957 HydrophobicContact CD1-CE2 4.3Å; I887-F957 HydrophobicContact CD1-CG 3.9Å; I887-F957 HydrophobicContact CG1-CB 3.69Å; I887-F957 HydrophobicContact CG1-CD1 3.97Å; I887-F957 HydrophobicContact CG1-CD2 3.52Å; I887-F957 HydrophobicContact CG1-CE2 4.1Å; I887-F957 HydrophobicContact CG1-CG 3.44Å; I887-F957 VanDerWaalsContact CG1-CG 3.44Å; T908-F957 HydrophobicContact CG2-CE1 4.36Å; M910-F957 HydrophobicContact CB-CE1 3.62Å; M910-F957 HydrophobicContact CB-CE2 3.98Å; M910-F957 HydrophobicContact CB-CZ 3.28Å; M910-F957 HydrophobicContact CG-CE2 4.38Å; M910-F957 HydrophobicContact CG-CZ 3.97Å; M910-F957 HydrophobicContact SD-CE2 3.51Å; M910-F957 VanDerWaalsContact SD-CE2 3.51Å; M910-F957 HydrophobicContact SD-CZ 3.49Å; M910-F957 WeakPolarHBondContact SD-CZ 3.33Å; L930-F957 HydrophobicContact CD1-CZ 4.17Å; F955-F957 HydrophobicContact CB-CD2 4.03Å; F955-F957 HydrophobicContact CB-CE2 3.35Å; F955-F957 HydrophobicContact CB-CZ 4.04Å; F955-F957 HydrophobicContact CG-CE2 4.15Å; F955-F957 HydrophobicContact CG-CZ 4.45Å; F957-A989 PolarHBondContact N-O 2.98Å; F957-A990 CarbonylContact O-C 3.57Å; F957-A990 WeakPolarHBondContact O-CA 3.35Å; F957-R991 PolarHBondContact O-N 3.12Å
958	D	97.7	Very high	94.1	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-46.8	177.2	-59.8	-62.1	0	0	0	110.5	S885 E992	S885-D958 PolarHBondContact N-OD2 3.34Å; S885-D958 WeakPolarHBondContact O-CB 3.18Å; S885-D958 PolarHBondContact O-N 3.15Å; S885-D958 PolarHBondContact OG-N 3.17Å; S885-D958 VanDerWaalsContact OG-N 3.1Å; S885-D958 PolarHBondContact OG-OD2 3.42Å; D958-E992 PolarHBondContact O-N 3.16Å
959	K	98.1	Very high	94	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145	-172	-50	-175.2	-176.3	76	0	113	F879 D884 S885 I886 I887 F961 E992 I994	F879-K959 WeakPolarHBondContact O-CD 3.34Å; F879-K959 WeakPolarHBondContact O-CE 3.37Å; F879-K959 PolarHBondContact O-NZ 3.41Å; D884-K959 IonicContact OD1-NZ 3.04Å; D884-K959 PolarHBondContact OD1-NZ 3.45Å; D884-K959 IonicContact OD2-NZ 3.97Å; D884-K959 PolarHBondContact OD2-NZ 3.11Å; S885-K959 PolarHBondContact O-N 3.12Å; I886-K959 CarbonylContact C-O 3.53Å; I886-K959 VanDerWaalsContact CA-O 3.31Å; I886-K959 WeakPolarHBondContact CA-O 3.21Å; I886-K959 HydrophobicContact CG2-CB 4.26Å; I887-K959 PolarHBondContact N-O 3.47Å; K959-F961 HydrophobicContact CB-CE2 4.16Å; K959-E992 CarbonylContact C-O 3.58Å; K959-E992 WeakPolarHBondContact CA-O 3.32Å; K959-E992 HydrophobicContact CG-CB 4.42Å; K959-I994 HydrophobicContact CB-CD1 4.44Å; K959-I994 HydrophobicContact CD-CD1 4.14Å
960	L	98.2	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.7	167.3	164	63.7	0	0	0	109.6	I887 M962 M986 C987 A990 E992 V993 I994	I887-L960 HydrophobicContact CB-CB 4.33Å; I887-L960 HydrophobicContact CB-CD1 3.75Å; I887-L960 HydrophobicContact CG2-CD1 3.59Å; L960-M962 HydrophobicContact CD1-CB 4.31Å; L960-M962 HydrophobicContact CD2-CB 4.28Å; L960-M962 HydrophobicContact CD2-SD 4.36Å; L960-M962 HydrophobicContact CG-CB 4.08Å; L960-M986 HydrophobicContact CD1-CB 4.04Å; L960-M986 HydrophobicContact CD1-SD 4.28Å; L960-M986 HydrophobicContact CD2-CB 3.88Å; L960-C987 HydrophobicContact CD2-CB 4.42Å; L960-A990 HydrophobicContact CB-CB 3.42Å; L960-A990 VanDerWaalsContact CB-CB 3.42Å; L960-E992 PolarHBondContact N-O 2.9Å; L960-V993 HydrophobicContact CD2-CG1 4.24Å; L960-V993 HydrophobicContact CD2-CG2 4.4Å; L960-I994 WeakPolarHBondContact O-CA 3.39Å; L960-I994 PolarHBondContact O-N 3.35Å
961	F	98.4	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.7	166.5	-63.8	-86.6	0	0	0	109.7	A876 F879 I880 I886 I887 L888 D889 V894 M897 K959 I994 M996	A876-F961 HydrophobicContact CB-CD1 4.01Å; A876-F961 HydrophobicContact CB-CE1 3.92Å; A876-F961 WeakPolarHBondContact O-CE1 3.08Å; F879-F961 HydrophobicContact CB-CZ 4.44Å; I880-F961 HydrophobicContact CD1-CE2 3.77Å; I880-F961 HydrophobicContact CD1-CZ 3.89Å; I880-F961 HydrophobicContact CG1-CE2 3.68Å; I880-F961 HydrophobicContact CG1-CZ 3.53Å; I886-F961 HydrophobicContact CB-CE2 4.43Å; I886-F961 HydrophobicContact CG2-CE2 4.21Å; I887-F961 PolarHBondContact O-N 3.27Å; L888-F961 HydrophobicContact CD2-CB 3.92Å; L888-F961 HydrophobicContact CD2-CD2 3.91Å; L888-F961 HydrophobicContact CD2-CG 4.27Å; D889-F961 PolarHBondContact N-O 3.33Å; V894-F961 HydrophobicContact CG1-CB 4.32Å; M897-F961 HydrophobicContact CE-CB 4.44Å; M897-F961 HydrophobicContact CE-CD1 3.54Å; M897-F961 HydrophobicContact CE-CD2 4.08Å; M897-F961 HydrophobicContact CE-CE1 3.67Å; M897-F961 HydrophobicContact CE-CE2 4.2Å; M897-F961 HydrophobicContact CE-CG 3.75Å; M897-F961 HydrophobicContact CE-CZ 3.99Å; M897-F961 HydrophobicContact SD-CB 4.03Å; M897-F961 HydrophobicContact SD-CD1 3.85Å; M897-F961 HydrophobicContact SD-CG 3.95Å; K959-F961 HydrophobicContact CB-CE2 4.16Å; F961-I994 WeakPolarHBondContact CA-O 3.13Å; F961-I994 HydrophobicContact CD1-CB 3.96Å; F961-I994 HydrophobicContact CD1-CD1 4.23Å; F961-I994 HydrophobicContact CD1-CG2 3.94Å; F961-I994 HydrophobicContact CE1-CB 4.11Å; F961-I994 HydrophobicContact CE1-CD1 3.54Å; F961-I994 HydrophobicContact CE1-CG1 4.39Å; F961-I994 HydrophobicContact CE1-CG2 3.99Å; F961-I994 HydrophobicContact CZ-CD1 3.72Å; F961-M996 HydrophobicContact CB-SD 4.06Å; F961-M996 HydrophobicContact CD1-SD 4.12Å
962	M	96.1	Very high	93.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.6	-171.3	-175.8	166.3	61.3	0	0	112.3	D889 L960 V973 V993 I994 L995 M996 V1010	D889-M962 HydrophobicContact CB-CB 4.37Å; D889-M962 HydrophobicContact CB-CG 4.22Å; L960-M962 HydrophobicContact CD1-CB 4.31Å; L960-M962 HydrophobicContact CD2-CB 4.28Å; L960-M962 HydrophobicContact CD2-SD 4.36Å; L960-M962 HydrophobicContact CG-CB 4.08Å; M962-V973 HydrophobicContact CE-CG1 4.23Å; M962-V973 HydrophobicContact CE-CG2 4.5Å; M962-V993 HydrophobicContact CE-CG1 4.09Å; M962-I994 PolarHBondContact N-O 2.85Å; M962-L995 HydrophobicContact CB-CD1 4.34Å; M962-L995 HydrophobicContact CE-CD1 3.9Å; M962-L995 HydrophobicContact CG-CD1 4.3Å; M962-M996 PolarHBondContact O-N 3.05Å; M962-V1010 HydrophobicContact SD-CG1 4.01Å
963	G	93.5	Very high	93.6	Very high	9 Å²	9	42.4 Å²	42.4	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	167.4	169.1	0	0	0	0	0	111.7	D889	D889-G963 PolarHBondContact OD2-N 3.46Å
964	T	93	Very high	93.7	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.117	19%	0.193	C	C	.	.			trans	-147.3	154.3	176.1	-176.8	0	0	0	0	113.2	G966 I967 V973 T974 L995 A997	T964-G966 PolarHBondContact OG1-N 2.72Å; T964-G966 VanDerWaalsContact OG1-N 3.16Å; T964-G966 PolarHBondContact OG1-O 3.36Å; T964-I967 HydrophobicContact CG2-CD1 3.93Å; T964-I967 HydrophobicContact CG2-CG1 3.64Å; T964-V973 HydrophobicContact CG2-CG1 4.48Å; T964-V973 WeakPolarHBondContact OG1-CG1 3.2Å; T964-T974 PolarHBondContact OG1-O 3.4Å; T964-T974 VanDerWaalsContact OG1-O 3.05Å; T964-L995 HydrophobicContact CG2-CD1 4.12Å; T964-A997 HydrophobicContact CG2-CB 3.76Å
965	D	89.1	Confident	93.7	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	17%	0.165	C	C	.	.	S	Bend	trans	-89.1	-21.7	170.9	-64.8	-55.8	0	0	0	112.7	K861 T974 T975 F976 K1001 R1004	K861-D965 IonicContact NZ-OD1 2.79Å; K861-D965 PolarHBondContact NZ-OD1 2.71Å; K861-D965 IonicContact NZ-OD2 2.93Å; D965-T974 PolarHBondContact N-O 3.41Å; D965-T975 PolarHBondContact OD2-OG1 3.48Å; D965-F976 HydrophobicContact CB-CD2 3.73Å; D965-F976 HydrophobicContact CB-CE2 4.11Å; D965-F976 PolarHBondContact OD2-N 2.92Å; D965-F976 VanDerWaalsContact OD2-N 3.1Å; D965-K1001 WeakPolarHBondContact O-CD 3.49Å; D965-R1004 WeakPolarHBondContact O-CD 3.47Å; D965-R1004 PolarHBondContact O-NH1 3.17Å
966	G	90.8	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	145.4	178.9	0	0	0	0	0	113.9	T964 T974 K1001 R1004	T964-G966 PolarHBondContact OG1-N 2.72Å; T964-G966 VanDerWaalsContact OG1-N 3.16Å; T964-G966 PolarHBondContact OG1-O 3.36Å; G966-T974 PolarHBondContact N-O 2.77Å; G966-T974 VanDerWaalsContact N-O 3.12Å; G966-T974 PolarHBondContact O-N 3.24Å; G966-T974 PolarHBondContact O-OG1 2.81Å; G966-K1001 CarbonylContact C-O 3.54Å; G966-K1001 WeakPolarHBondContact CA-O 3.45Å; G966-R1004 CarbonylContact C-O 3.23Å; G966-R1004 VanDerWaalsContact C-O 3.23Å; G966-R1004 WeakPolarHBondContact CA-O 3.23Å
967	I	94.9	Very high	92.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.2	176.9	-56.8	172.9	0	0	0	107.9	T964 L995 A997 K1001 F1002 G1003 R1004 L1013 L1019 F1029	T964-I967 HydrophobicContact CG2-CD1 3.93Å; T964-I967 HydrophobicContact CG2-CG1 3.64Å; I967-L995 HydrophobicContact CD1-CD2 3.69Å; I967-L995 HydrophobicContact CG1-CD2 4.11Å; I967-A997 HydrophobicContact CD1-CB 3.58Å; I967-K1001 PolarHBondContact N-O 3.11Å; I967-F1002 HydrophobicContact CB-CD1 4.45Å; I967-F1002 HydrophobicContact CD1-CD1 4.14Å; I967-F1002 HydrophobicContact CD1-CE1 3.73Å; I967-F1002 HydrophobicContact CD1-CE2 4.49Å; I967-F1002 HydrophobicContact CD1-CZ 3.93Å; I967-G1003 PolarHBondContact O-N 3.23Å; I967-R1004 PolarHBondContact N-O 3.5Å; I967-R1004 PolarHBondContact O-N 3.32Å; I967-L1013 HydrophobicContact CG2-CD2 3.95Å; I967-L1019 HydrophobicContact CD1-CD1 4.08Å; I967-F1029 HydrophobicContact CG2-CE1 4.13Å; I967-F1029 HydrophobicContact CG2-CZ 4.3Å
968	D	92.5	Very high	91.6	Very high	27 Å²	27	29 Å²	29	14%	0.144	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	178	179.7	88.9	0	0	0	109.8	N970 A971 G972 K1005	D968-N970 PolarHBondContact O-N 3.11Å; D968-N970 VanDerWaalsContact O-N 3.1Å; D968-N970 WeakPolarHBondContact OD2-CA 3.39Å; D968-N970 WeakPolarHBondContact OD2-CB 3.43Å; D968-N970 PolarHBondContact OD2-N 2.86Å; D968-A971 HydrophobicContact CB-CB 4.02Å; D968-A971 PolarHBondContact O-N 2.95Å; D968-A971 WeakPolarHBondContact OD2-CB 3.47Å; D968-A971 PolarHBondContact OD2-N 3.37Å; D968-G972 PolarHBondContact N-O 2.82Å; D968-G972 PolarHBondContact O-N 3.32Å; D968-K1005 HydrophobicContact CB-CB 4.33Å
969	L	90.3	Very high	90.8	Very high	48 Å²	48	28.4 Å²	28.4	25%	0.251	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26	-175.2	-70.9	173.5	0	0	0	113.6	L1013 F1029 A1032 L1033 K1036	L969-L1013 HydrophobicContact CD2-CD1 4.28Å; L969-F1029 HydrophobicContact CD1-CD2 4.08Å; L969-F1029 HydrophobicContact CD1-CE2 4.01Å; L969-F1029 HydrophobicContact CD1-CZ 4.39Å; L969-F1029 HydrophobicContact CD2-CD1 4.07Å; L969-F1029 HydrophobicContact CD2-CE1 3.69Å; L969-F1029 HydrophobicContact CD2-CE2 4.26Å; L969-F1029 HydrophobicContact CD2-CZ 3.82Å; L969-F1029 HydrophobicContact CG-CD1 4.49Å; L969-F1029 HydrophobicContact CG-CD2 4.17Å; L969-F1029 HydrophobicContact CG-CE1 4.01Å; L969-F1029 HydrophobicContact CG-CE2 3.68Å; L969-F1029 HydrophobicContact CG-CZ 3.59Å; L969-A1032 HydrophobicContact CD1-CB 3.85Å; L969-A1032 HydrophobicContact CD2-CB 3.74Å; L969-A1032 HydrophobicContact CG-CB 4.47Å; L969-L1033 HydrophobicContact CD2-CD2 4.23Å; L969-L1033 HydrophobicContact CD2-CG 4.34Å; L969-K1036 WeakPolarHBondContact O-CE 3.47Å
970	N	89.6	Confident	90.2	Very high	155 Å²	155	30.5 Å²	30.5	83%	0.829	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-40.1	-178.1	-59.4	-59.8	0	0	0	112.3	D968	D968-N970 PolarHBondContact O-N 3.11Å; D968-N970 VanDerWaalsContact O-N 3.1Å; D968-N970 WeakPolarHBondContact OD2-CA 3.39Å; D968-N970 WeakPolarHBondContact OD2-CB 3.43Å; D968-N970 PolarHBondContact OD2-N 2.86Å
971	A	88.5	Confident	89.8	Confident	20 Å²	20	32.9 Å²	32.9	17%	0.165	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.8	-174.4	0	0	0	0	0	113.3	D968 T974 K1005 V1009	D968-A971 HydrophobicContact CB-CB 4.02Å; D968-A971 PolarHBondContact O-N 2.95Å; D968-A971 WeakPolarHBondContact OD2-CB 3.47Å; D968-A971 PolarHBondContact OD2-N 3.37Å; A971-T974 HydrophobicContact CB-CG2 4.15Å; A971-K1005 HydrophobicContact CB-CD 4.43Å; A971-K1005 HydrophobicContact CB-CG 4.5Å; A971-V1009 HydrophobicContact CB-CG2 4.33Å; A971-V1009 WeakPolarHBondContact O-CG1 3.42Å
972	G	93	Very high	89.5	Confident	2 Å²	2	32.9 Å²	32.9	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.5	-150.8	-177.1	0	0	0	0	0	114	D968	D968-G972 PolarHBondContact N-O 2.82Å; D968-G972 PolarHBondContact O-N 3.32Å
973	V	95.1	Very high	89.4	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.7	170.9	-174.6	0	0	0	0	108.7	M962 T964 L995 V1010 C1011 V1016	M962-V973 HydrophobicContact CE-CG1 4.23Å; M962-V973 HydrophobicContact CE-CG2 4.5Å; T964-V973 HydrophobicContact CG2-CG1 4.48Å; T964-V973 WeakPolarHBondContact OG1-CG1 3.2Å; V973-L995 HydrophobicContact CG1-CD1 3.97Å; V973-L995 HydrophobicContact CG2-CD1 4.21Å; V973-L995 HydrophobicContact CG2-CD2 3.67Å; V973-V1010 HydrophobicContact CB-CB 4.46Å; V973-V1010 HydrophobicContact CG1-CB 4.44Å; V973-V1010 PolarHBondContact O-N 3.25Å; V973-C1011 PolarHBondContact N-O 3.5Å; V973-V1016 HydrophobicContact CG2-CG2 3.97Å
974	T	92.9	Very high	89.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.2	-174.2	67.4	0	0	0	0	113.5	T964 D965 G966 A971 R1004 S1006 N1008 V1009	T964-T974 PolarHBondContact OG1-O 3.4Å; T964-T974 VanDerWaalsContact OG1-O 3.05Å; D965-T974 PolarHBondContact N-O 3.41Å; G966-T974 PolarHBondContact N-O 2.77Å; G966-T974 VanDerWaalsContact N-O 3.12Å; G966-T974 PolarHBondContact O-N 3.24Å; G966-T974 PolarHBondContact O-OG1 2.81Å; A971-T974 HydrophobicContact CB-CG2 4.15Å; T974-R1004 PolarHBondContact OG1-O 2.99Å; T974-S1006 WeakPolarHBondContact OG1-CB 3.29Å; T974-S1006 PolarHBondContact OG1-N 3.1Å; T974-S1006 PolarHBondContact OG1-OG 2.74Å; T974-N1008 CarbonylContact C-O 3.46Å; T974-N1008 WeakPolarHBondContact CA-O 3.32Å; T974-N1008 WeakPolarHBondContact CB-O 3.45Å; T974-V1009 HydrophobicContact CG2-CG2 4.24Å
975	T	90.2	Very high	89.3	Confident	17 Å²	17	37.5 Å²	37.5	10%	0.104	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.9	178.2	-176.9	0	0	0	0	112.7	D965 N977 Y980 S1006 N1008 V1010	D965-T975 PolarHBondContact OD2-OG1 3.48Å; T975-N977 VanDerWaalsContact C-N 3.3Å; T975-N977 HydrophobicContact CG2-CB 4.1Å; T975-N977 WeakPolarHBondContact OG1-CB 3.41Å; T975-N977 PolarHBondContact OG1-N 3.29Å; T975-Y980 HydrophobicContact CG2-CG 4.42Å; T975-S1006 WeakPolarHBondContact O-CB 3.44Å; T975-N1008 HydrophobicContact CG2-CB 4.12Å; T975-N1008 PolarHBondContact N-O 3.04Å; T975-N1008 WeakPolarHBondContact O-CB 3.37Å; T975-N1008 PolarHBondContact O-N 3.27Å; T975-N1008 VanDerWaalsContact O-N 3.12Å; T975-N1008 PolarHBondContact O-ND2 3.41Å; T975-V1010 HydrophobicContact CG2-CG2 3.6Å
976	F	83.2	Confident	89.7	Confident	38 Å²	38	36.9 Å²	36.9	17%	0.167	19%	0.19	C	C	.	.	S	Bend	trans	-82.7	-9.8	166.2	-67.2	-88.2	0	0	0	112.8	D855 D965 E978 R1004 S1006 P1007	D855-F976 HydrophobicContact CB-CB 3.53Å; D855-F976 HydrophobicContact CB-CG 4.09Å; D965-F976 HydrophobicContact CB-CD2 3.73Å; D965-F976 HydrophobicContact CB-CE2 4.11Å; D965-F976 PolarHBondContact OD2-N 2.92Å; D965-F976 VanDerWaalsContact OD2-N 3.1Å; F976-E978 PolarHBondContact O-N 2.81Å; F976-R1004 VanDerWaalsContact CE2-CZ 3.45Å; F976-S1006 VanDerWaalsContact CE2-OG 3.28Å; F976-S1006 WeakPolarHBondContact CE2-OG 3.45Å; F976-P1007 HydrophobicContact CD1-CG 4.13Å
977	N	81.8	Confident	89.9	Confident	14 Å²	14	37.6 Å²	37.6	8%	0.075	19%	0.194	C	C	.	.			trans	-69.6	114.2	176.4	-175.4	16.6	0	0	0	110.1	H944 T975 V979 Y980 N1008	H944-N977 PolarHBondContact CE1-ND2 3.2Å; T975-N977 VanDerWaalsContact C-N 3.3Å; T975-N977 HydrophobicContact CG2-CB 4.1Å; T975-N977 WeakPolarHBondContact OG1-CB 3.41Å; T975-N977 PolarHBondContact OG1-N 3.29Å; N977-V979 PolarHBondContact ND2-O 2.79Å; N977-V979 PolarHBondContact O-N 2.9Å; N977-V979 PolarHBondContact OD1-N 2.88Å; N977-V979 VanDerWaalsContact OD1-N 3.11Å; N977-Y980 WeakPolarHBondContact O-CB 3.37Å; N977-N1008 PolarHBondContact O-ND2 3.5Å; N977-N1008 VanDerWaalsContact O-ND2 3.13Å
978	E	76.3	Confident	89.8	Confident	162 Å²	162	43.7 Å²	43.7	76%	0.757	23%	0.227	S	C	*	.	S	Bend	trans	-65.4	-21.2	176.7	-65.2	176.1	176.8	0	0	112.5	F976 Y980	F976-E978 PolarHBondContact O-N 2.81Å; E978-Y980 VanDerWaalsContact C-N 3.35Å; E978-Y980 WeakPolarHBondContact O-CD1 3.35Å; E978-Y980 PolarHBondContact O-N 3.35Å
979	V	82	Confident	89.9	Confident	49 Å²	49	42.9 Å²	42.9	30%	0.297	22%	0.224	S	C	.	.			trans	-100.8	51.7	179.3	-149.3	0	0	0	0	110.4	H944 N977 T981	H944-V979 HydrophobicContact CB-CB 4.16Å; H944-V979 HydrophobicContact CB-CG1 3.63Å; H944-V979 PolarHBondContact CE1-O 3.25Å; H944-V979 PolarHBondContact ND1-O 3.29Å; H944-V979 VanDerWaalsContact ND1-O 3.11Å; N977-V979 PolarHBondContact ND2-O 2.79Å; N977-V979 PolarHBondContact O-N 2.9Å; N977-V979 PolarHBondContact OD1-N 2.88Å; N977-V979 VanDerWaalsContact OD1-N 3.11Å; V979-T981 VanDerWaalsContact C-N 3.32Å
980	Y	85.2	Confident	90.2	Very high	66 Å²	66	41.2 Å²	41.2	26%	0.259	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7	-175.6	66.6	-84.5	0	0	0	114.1	T975 N977 E978 V982 S983 K984 N1008 V1009	T975-Y980 HydrophobicContact CG2-CG 4.42Å; N977-Y980 WeakPolarHBondContact O-CB 3.37Å; E978-Y980 VanDerWaalsContact C-N 3.35Å; E978-Y980 WeakPolarHBondContact O-CD1 3.35Å; E978-Y980 PolarHBondContact O-N 3.35Å; Y980-V982 PolarHBondContact O-N 2.9Å; Y980-S983 WeakPolarHBondContact O-CB 3.47Å; Y980-S983 PolarHBondContact O-N 3.24Å; Y980-K984 PolarHBondContact O-N 3.03Å; Y980-K984 VanDerWaalsContact O-N 3.11Å; Y980-N1008 HydrophobicContact CD1-CB 3.41Å; Y980-N1008 VanDerWaalsContact CD1-CB 3.41Å; Y980-N1008 HydrophobicContact CE1-CB 3.62Å; Y980-N1008 HydrophobicContact CG-CB 3.93Å; Y980-V1009 WeakPolarHBondContact CD2-O 3.35Å; Y980-V1009 WeakPolarHBondContact CE2-O 3.21Å
981	T	89.1	Confident	90.6	Very high	50 Å²	50	43.8 Å²	43.8	31%	0.307	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-32.8	-179.6	44	0	0	0	0	112.6	E949 V979 K984 A985	E949-T981 VanDerWaalsContact CD-OG1 3.25Å; E949-T981 WeakPolarHBondContact OE1-CB 3.44Å; E949-T981 PolarHBondContact OE1-OG1 3.06Å; V979-T981 VanDerWaalsContact C-N 3.32Å; T981-K984 WeakPolarHBondContact O-CB 3.49Å; T981-K984 PolarHBondContact O-N 3.23Å; T981-A985 PolarHBondContact O-N 2.75Å
982	V	93.1	Very high	91	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-46.2	172.8	-179.1	0	0	0	0	111.4	H944 A948 E949 F952 Y980 K984 A985 M986	H944-V982 HydrophobicContact CB-CG2 4.44Å; A948-V982 HydrophobicContact CB-CG1 4.43Å; A948-V982 HydrophobicContact CB-CG2 3.93Å; E949-V982 HydrophobicContact CG-CB 4.44Å; E949-V982 HydrophobicContact CG-CG2 3.68Å; F952-V982 HydrophobicContact CD2-CG1 3.93Å; F952-V982 HydrophobicContact CE2-CG1 3.59Å; Y980-V982 PolarHBondContact O-N 2.9Å; V982-K984 PolarHBondContact O-N 2.97Å; V982-A985 WeakPolarHBondContact O-CA 3.21Å; V982-A985 WeakPolarHBondContact O-CB 3.34Å; V982-A985 PolarHBondContact O-N 3.38Å; V982-M986 HydrophobicContact CG1-CE 3.74Å; V982-M986 WeakPolarHBondContact O-CG 3.24Å; V982-M986 PolarHBondContact O-N 2.84Å
983	S	93	Very high	91.2	Very high	10 Å²	10	45 Å²	45	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-32.8	176.8	-53.7	0	0	0	0	111.3	D889 Y980 M986 C987	D889-S983 PolarHBondContact OD1-OG 3.46Å; Y980-S983 WeakPolarHBondContact O-CB 3.47Å; Y980-S983 PolarHBondContact O-N 3.24Å; S983-M986 WeakPolarHBondContact O-CB 3.19Å; S983-M986 PolarHBondContact O-N 3.25Å; S983-C987 PolarHBondContact O-N 3.18Å; S983-C987 VanDerWaalsContact O-N 3.11Å; S983-C987 PolarHBondContact O-SG 3.47Å
984	K	92.1	Very high	91.4	Very high	108 Å²	108	45 Å²	45	47%	0.47	22%	0.217	S	C	.	.	H	α-helix	trans	-67.6	-40.8	171.5	-170.2	175.9	-177.5	178.2	0	112.5	Y980 T981 V982 M986 C987 N988	Y980-K984 PolarHBondContact O-N 3.03Å; Y980-K984 VanDerWaalsContact O-N 3.11Å; T981-K984 WeakPolarHBondContact O-CB 3.49Å; T981-K984 PolarHBondContact O-N 3.23Å; V982-K984 PolarHBondContact O-N 2.97Å; K984-M986 VanDerWaalsContact C-N 3.32Å; K984-C987 WeakPolarHBondContact O-CB 3.43Å; K984-C987 PolarHBondContact O-N 3.26Å; K984-N988 PolarHBondContact O-N 3.08Å
985	A	93.8	Very high	91.6	Very high	8 Å²	8	45 Å²	45	7%	0.066	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-38.6	174	0	0	0	0	0	111.7	E949 F952 T981 V982 C987 N988 A989	E949-A985 HydrophobicContact CB-CB 4.47Å; F952-A985 HydrophobicContact CB-CB 4.14Å; T981-A985 PolarHBondContact O-N 2.75Å; V982-A985 WeakPolarHBondContact O-CA 3.21Å; V982-A985 WeakPolarHBondContact O-CB 3.34Å; V982-A985 PolarHBondContact O-N 3.38Å; A985-C987 VanDerWaalsContact C-N 3.34Å; A985-C987 PolarHBondContact O-N 3.11Å; A985-N988 PolarHBondContact O-N 2.99Å; A985-A989 PolarHBondContact O-N 2.82Å; A985-A989 VanDerWaalsContact O-N 3.08Å
986	M	95.8	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-44.2	172.6	-64.2	175.1	-175.2	0	0	111.8	I887 D889 N912 F952 L960 V982 S983 K984 N988 A989 A990	I887-M986 HydrophobicContact CD1-CB 4.37Å; I887-M986 HydrophobicContact CG2-CB 4.12Å; I887-M986 HydrophobicContact CG2-CG 3.84Å; I887-M986 HydrophobicContact CG2-SD 3.9Å; D889-M986 HydrophobicContact CB-SD 4.18Å; N912-M986 HydrophobicContact CB-CE 4.09Å; N912-M986 VanDerWaalsContact CG-CE 3.43Å; N912-M986 WeakPolarHBondContact OD1-CE 3.42Å; F952-M986 HydrophobicContact CD1-CG 3.99Å; F952-M986 HydrophobicContact CD2-CG 4.1Å; F952-M986 HydrophobicContact CE1-CE 4.37Å; F952-M986 HydrophobicContact CE1-CG 3.81Å; F952-M986 HydrophobicContact CE2-CE 3.74Å; F952-M986 HydrophobicContact CE2-CG 3.95Å; F952-M986 HydrophobicContact CG-CG 4.14Å; F952-M986 HydrophobicContact CZ-CE 3.54Å; F952-M986 HydrophobicContact CZ-CG 3.8Å; F952-M986 HydrophobicContact CZ-SD 4.38Å; L960-M986 HydrophobicContact CD1-CB 4.04Å; L960-M986 HydrophobicContact CD1-SD 4.28Å; L960-M986 HydrophobicContact CD2-CB 3.88Å; V982-M986 HydrophobicContact CG1-CE 3.74Å; V982-M986 WeakPolarHBondContact O-CG 3.24Å; V982-M986 PolarHBondContact O-N 2.84Å; S983-M986 WeakPolarHBondContact O-CB 3.19Å; S983-M986 PolarHBondContact O-N 3.25Å; K984-M986 VanDerWaalsContact C-N 3.32Å; M986-N988 PolarHBondContact O-N 3.22Å; M986-A989 PolarHBondContact O-N 3.24Å; M986-A989 VanDerWaalsContact O-N 3.15Å; M986-A990 PolarHBondContact O-N 3.18Å; M986-A990 VanDerWaalsContact O-N 3.17Å
987	C	94.6	Very high	92.5	Very high	14 Å²	14	42.4 Å²	42.4	10%	0.095	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-34.6	177.5	-64.4	0	0	0	0	112.1	L960 S983 K984 A985	L960-C987 HydrophobicContact CD2-CB 4.42Å; S983-C987 PolarHBondContact O-N 3.18Å; S983-C987 VanDerWaalsContact O-N 3.11Å; S983-C987 PolarHBondContact O-SG 3.47Å; K984-C987 WeakPolarHBondContact O-CB 3.43Å; K984-C987 PolarHBondContact O-N 3.26Å; A985-C987 VanDerWaalsContact C-N 3.34Å; A985-C987 PolarHBondContact O-N 3.11Å
988	N	93.6	Very high	93.1	Very high	128 Å²	128	41.8 Å²	41.8	68%	0.684	20%	0.202	S	C	*	.	H	α-helix	trans	-78.3	-25.4	178.6	-63.9	-24.3	0	0	0	113.1	K984 A985 M986	K984-N988 PolarHBondContact O-N 3.08Å; A985-N988 PolarHBondContact O-N 2.99Å; M986-N988 PolarHBondContact O-N 3.22Å
989	A	95.4	Very high	93.8	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-85	-23.6	-177.4	0	0	0	0	0	113.1	I887 F952 T956 F957 A985 M986	I887-A989 HydrophobicContact CD1-CB 3.92Å; F952-A989 HydrophobicContact CB-CB 4.27Å; F952-A989 WeakPolarHBondContact O-CB 3.46Å; T956-A989 WeakPolarHBondContact CA-O 3.43Å; F957-A989 PolarHBondContact N-O 2.98Å; A985-A989 PolarHBondContact O-N 2.82Å; A985-A989 VanDerWaalsContact O-N 3.08Å; M986-A989 PolarHBondContact O-N 3.24Å; M986-A989 VanDerWaalsContact O-N 3.15Å
990	A	96.9	Very high	94	Very high	13 Å²	13	35.9 Å²	35.9	11%	0.107	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141	178.7	0	0	0	0	0	112.2	I887 F957 L960 M986	I887-A990 HydrophobicContact CD1-CB 4.28Å; F957-A990 CarbonylContact O-C 3.57Å; F957-A990 WeakPolarHBondContact O-CA 3.35Å; L960-A990 HydrophobicContact CB-CB 3.42Å; L960-A990 VanDerWaalsContact CB-CB 3.42Å; M986-A990 PolarHBondContact O-N 3.18Å; M986-A990 VanDerWaalsContact O-N 3.17Å
991	R	96.3	Very high	94.3	Very high	210 Å²	210	34 Å²	34	79%	0.792	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	-36.4	173.1	178.5	-179.4	-77.3	172	-1.3	112.2	F957	F957-R991 PolarHBondContact O-N 3.12Å
992	E	97.8	Very high	94.4	Very high	42 Å²	42	33.1 Å²	33.1	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127	179.6	-174.3	176	-148.3	0	0	110.4	D958 K959 L960 I994 D1017 K1018	D958-E992 PolarHBondContact O-N 3.16Å; K959-E992 CarbonylContact C-O 3.58Å; K959-E992 WeakPolarHBondContact CA-O 3.32Å; K959-E992 HydrophobicContact CG-CB 4.42Å; L960-E992 PolarHBondContact N-O 2.9Å; E992-I994 HydrophobicContact CG-CG1 4.21Å; E992-D1017 WeakPolarHBondContact CA-OD2 3.47Å; E992-D1017 HydrophobicContact CG-CB 3.92Å; E992-K1018 IonicContact OE1-NZ 3.82Å; E992-K1018 PolarHBondContact OE1-NZ 2.74Å
993	V	97.8	Very high	94.1	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.2	-179.9	180	0	0	0	0	110	L960 M962 S1015 V1016 D1017 K1018	L960-V993 HydrophobicContact CD2-CG1 4.24Å; L960-V993 HydrophobicContact CD2-CG2 4.4Å; M962-V993 HydrophobicContact CE-CG1 4.09Å; V993-S1015 WeakPolarHBondContact CB-O 3.49Å; V993-V1016 HydrophobicContact CG1-CG2 4.46Å; V993-D1017 PolarHBondContact N-OD2 2.8Å; V993-D1017 PolarHBondContact O-N 3.24Å; V993-K1018 PolarHBondContact O-N 2.9Å
994	I	98.2	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.7	-179.6	-53.3	176	0	0	0	108.7	F879 K959 L960 F961 M962 E992 K1018 I1020	F879-I994 HydrophobicContact CB-CD1 4.06Å; F879-I994 HydrophobicContact CG-CD1 4.45Å; K959-I994 HydrophobicContact CB-CD1 4.44Å; K959-I994 HydrophobicContact CD-CD1 4.14Å; L960-I994 WeakPolarHBondContact O-CA 3.39Å; L960-I994 PolarHBondContact O-N 3.35Å; F961-I994 WeakPolarHBondContact CA-O 3.13Å; F961-I994 HydrophobicContact CD1-CB 3.96Å; F961-I994 HydrophobicContact CD1-CD1 4.23Å; F961-I994 HydrophobicContact CD1-CG2 3.94Å; F961-I994 HydrophobicContact CE1-CB 4.11Å; F961-I994 HydrophobicContact CE1-CD1 3.54Å; F961-I994 HydrophobicContact CE1-CG1 4.39Å; F961-I994 HydrophobicContact CE1-CG2 3.99Å; F961-I994 HydrophobicContact CZ-CD1 3.72Å; M962-I994 PolarHBondContact N-O 2.85Å; E992-I994 HydrophobicContact CG-CG1 4.21Å; I994-K1018 CarbonylContact C-O 2.93Å; I994-K1018 WeakPolarHBondContact CA-O 3.28Å; I994-K1018 HydrophobicContact CG1-CB 4.23Å; I994-K1018 HydrophobicContact CG2-CB 4.17Å; I994-I1020 HydrophobicContact CG2-CD1 3.69Å; I994-I1020 HydrophobicContact CG2-CG1 4.06Å
995	L	97.8	Very high	93.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.4	179.3	-171.8	66.8	0	0	0	111.1	M962 T964 I967 V973 V1016 K1018 L1019 I1020	M962-L995 HydrophobicContact CB-CD1 4.34Å; M962-L995 HydrophobicContact CE-CD1 3.9Å; M962-L995 HydrophobicContact CG-CD1 4.3Å; T964-L995 HydrophobicContact CG2-CD1 4.12Å; I967-L995 HydrophobicContact CD1-CD2 3.69Å; I967-L995 HydrophobicContact CG1-CD2 4.11Å; V973-L995 HydrophobicContact CG1-CD1 3.97Å; V973-L995 HydrophobicContact CG2-CD1 4.21Å; V973-L995 HydrophobicContact CG2-CD2 3.67Å; L995-V1016 HydrophobicContact CB-CG1 3.67Å; L995-V1016 HydrophobicContact CB-CG2 4.49Å; L995-V1016 HydrophobicContact CD2-CG2 4.45Å; L995-K1018 PolarHBondContact N-O 3.3Å; L995-L1019 HydrophobicContact CD2-CD1 3.99Å; L995-L1019 CarbonylContact O-C 3.59Å; L995-L1019 WeakPolarHBondContact O-CA 3.46Å; L995-I1020 PolarHBondContact O-N 3.26Å
996	M	97.6	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.2	-179.4	-61.5	173	72.8	0	0	110.9	I872 A873 A876 T893 V894 M897 F961 M962	I872-M996 HydrophobicContact CG2-CB 3.89Å; I872-M996 HydrophobicContact CG2-CE 3.82Å; I872-M996 HydrophobicContact CG2-CG 4.22Å; A873-M996 HydrophobicContact CB-CE 4.3Å; A876-M996 HydrophobicContact CB-CE 3.6Å; A876-M996 HydrophobicContact CB-CG 4.37Å; A876-M996 HydrophobicContact CB-SD 3.93Å; T893-M996 HydrophobicContact CG2-CB 4.02Å; T893-M996 HydrophobicContact CG2-CE 3.95Å; V894-M996 HydrophobicContact CG2-SD 4.13Å; M897-M996 HydrophobicContact CG-CE 3.58Å; M897-M996 HydrophobicContact CG-SD 4.26Å; M897-M996 HydrophobicContact SD-CE 3.38Å; M897-M996 WeakPolarHBondContact SD-CE 3.43Å; M897-M996 HydrophobicContact SD-SD 3.26Å; F961-M996 HydrophobicContact CB-SD 4.06Å; F961-M996 HydrophobicContact CD1-SD 4.12Å; M962-M996 PolarHBondContact O-N 3.05Å
997	A	94.8	Very high	92.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.233	C	C	.	.			trans	-148.9	131.8	-176.1	0	0	0	0	0	112.3	T964 I967 K1001 F1002 I1020 T1021	T964-A997 HydrophobicContact CG2-CB 3.76Å; I967-A997 HydrophobicContact CD1-CB 3.58Å; A997-K1001 HydrophobicContact CB-CB 4.19Å; A997-K1001 HydrophobicContact CB-CG 4.36Å; A997-F1002 HydrophobicContact CB-CE2 4.28Å; A997-F1002 HydrophobicContact CB-CZ 4.29Å; A997-I1020 PolarHBondContact N-O 3.2Å; A997-I1020 VanDerWaalsContact N-O 3.13Å; A997-T1021 WeakPolarHBondContact O-CA 3.27Å; A997-T1021 WeakPolarHBondContact O-CB 3.35Å; A997-T1021 PolarHBondContact O-OG1 3.11Å
998	D	93	Very high	92	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.237	C	C	.	.			trans	-74.3	158	169.4	73	-87.4	0	0	0	111.2	N865 K868 I872 S1000 K1001 F1002 D1022	N865-D998 PolarHBondContact ND2-OD2 2.88Å; K868-D998 HydrophobicContact CB-CB 4.23Å; K868-D998 HydrophobicContact CD-CB 4.38Å; I872-D998 HydrophobicContact CD1-CB 4.06Å; D998-S1000 PolarHBondContact O-N 2.89Å; D998-S1000 WeakPolarHBondContact OD2-CB 3.18Å; D998-S1000 PolarHBondContact OD2-N 3.3Å; D998-S1000 PolarHBondContact OD2-OG 3.05Å; D998-S1000 VanDerWaalsContact OD2-OG 3.1Å; D998-K1001 WeakPolarHBondContact O-CB 2.97Å; D998-K1001 WeakPolarHBondContact O-CG 2.66Å; D998-K1001 PolarHBondContact O-N 3.45Å; D998-K1001 VanDerWaalsContact OD1-CE 3.29Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.46Å; D998-F1002 WeakPolarHBondContact O-CE2 3.48Å; D998-D1022 VanDerWaalsContact CA-OD1 3.3Å; D998-D1022 WeakPolarHBondContact CA-OD1 3.37Å
999	S	91.9	Very high	91.9	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.6	-17.5	-171.2	78.8	0	0	0	0	114	K868 K1001 F1002 D1022 G1024	K868-S999 PolarHBondContact NZ-OG 3.32Å; S999-K1001 PolarHBondContact O-N 3.25Å; S999-F1002 WeakPolarHBondContact O-CD2 3.36Å; S999-D1022 WeakPolarHBondContact CB-OD1 3.49Å; S999-D1022 PolarHBondContact N-OD1 3.04Å; S999-D1022 PolarHBondContact OG-OD2 3.46Å; S999-G1024 WeakPolarHBondContact CB-O 3.39Å
1000	S	86.6	Confident	91.7	Very high	61 Å²	61	41.8 Å²	41.8	43%	0.427	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-73.4	-5.3	176	106	0	0	0	0	113.8	D998	D998-S1000 PolarHBondContact O-N 2.89Å; D998-S1000 WeakPolarHBondContact OD2-CB 3.18Å; D998-S1000 PolarHBondContact OD2-N 3.3Å; D998-S1000 PolarHBondContact OD2-OG 3.05Å; D998-S1000 VanDerWaalsContact OD2-OG 3.1Å
1001	K	91.8	Very high	91.5	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.117	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-97.8	-12.6	-176.6	-53.9	-58.9	177.2	-179.3	0	113.4	D965 G966 I967 A997 D998 S999 R1004	D965-K1001 WeakPolarHBondContact O-CD 3.49Å; G966-K1001 CarbonylContact C-O 3.54Å; G966-K1001 WeakPolarHBondContact CA-O 3.45Å; I967-K1001 PolarHBondContact N-O 3.11Å; A997-K1001 HydrophobicContact CB-CB 4.19Å; A997-K1001 HydrophobicContact CB-CG 4.36Å; D998-K1001 WeakPolarHBondContact O-CB 2.97Å; D998-K1001 WeakPolarHBondContact O-CG 2.66Å; D998-K1001 PolarHBondContact O-N 3.45Å; D998-K1001 VanDerWaalsContact OD1-CE 3.29Å; D998-K1001 WeakPolarHBondContact OD1-CE 3.46Å; S999-K1001 PolarHBondContact O-N 3.25Å; K1001-R1004 WeakPolarHBondContact O-CB 3.42Å
1002	F	91.3	Very high	91.4	Very high	30 Å²	30	34.1 Å²	34.1	13%	0.132	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-80.3	138.4	-177.1	-60.5	-98.7	0	0	0	110.9	I967 A997 D998 S999 R1004 L1019 T1021 I1025 F1029 L1033	I967-F1002 HydrophobicContact CB-CD1 4.45Å; I967-F1002 HydrophobicContact CD1-CD1 4.14Å; I967-F1002 HydrophobicContact CD1-CE1 3.73Å; I967-F1002 HydrophobicContact CD1-CE2 4.49Å; I967-F1002 HydrophobicContact CD1-CZ 3.93Å; A997-F1002 HydrophobicContact CB-CE2 4.28Å; A997-F1002 HydrophobicContact CB-CZ 4.29Å; D998-F1002 WeakPolarHBondContact O-CE2 3.48Å; S999-F1002 WeakPolarHBondContact O-CD2 3.36Å; F1002-R1004 PolarHBondContact O-N 3.05Å; F1002-L1019 HydrophobicContact CE1-CD1 4.08Å; F1002-L1019 HydrophobicContact CE1-CD2 3.96Å; F1002-L1019 HydrophobicContact CZ-CD2 3.86Å; F1002-T1021 WeakPolarHBondContact CE2-OG1 3.49Å; F1002-T1021 HydrophobicContact CZ-CG2 4.17Å; F1002-T1021 WeakPolarHBondContact CZ-OG1 3.36Å; F1002-I1025 HydrophobicContact CD1-CD1 3.75Å; F1002-I1025 HydrophobicContact CD1-CG1 4.12Å; F1002-I1025 HydrophobicContact CE1-CD1 3.42Å; F1002-I1025 VanDerWaalsContact CE1-CD1 3.42Å; F1002-I1025 HydrophobicContact CE1-CG1 4.18Å; F1002-I1025 HydrophobicContact CE2-CD1 4.48Å; F1002-I1025 HydrophobicContact CG-CD1 4.41Å; F1002-I1025 HydrophobicContact CG-CG1 4.31Å; F1002-I1025 HydrophobicContact CZ-CD1 3.84Å; F1002-I1025 HydrophobicContact CZ-CG1 4.42Å; F1002-F1029 HydrophobicContact CB-CD1 4.28Å; F1002-F1029 HydrophobicContact CB-CE1 4.21Å; F1002-F1029 HydrophobicContact CB-CE2 4.42Å; F1002-F1029 HydrophobicContact CB-CG 4.44Å; F1002-F1029 HydrophobicContact CB-CZ 4.26Å; F1002-F1029 AromaticContact CD1-CD1 3.66Å; F1002-F1029 HydrophobicContact CD1-CD1 3.66Å; F1002-F1029 AromaticContact CD1-CE1 3.58Å; F1002-F1029 HydrophobicContact CD1-CE1 3.58Å; F1002-F1029 HydrophobicContact CD1-CZ 4.37Å; F1002-F1029 HydrophobicContact CG-CD1 4.41Å; F1002-F1029 HydrophobicContact CG-CE1 4.38Å; F1002-L1033 HydrophobicContact CD1-CD1 4.24Å; F1002-L1033 HydrophobicContact CE1-CD1 3.93Å
1003	G	85.1	Confident	91.1	Very high	51 Å²	51	32.2 Å²	32.2	53%	0.526	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	5.3	-173.6	0	0	0	0	0	114.2	I967	I967-G1003 PolarHBondContact O-N 3.23Å
1004	R	86.2	Confident	90.7	Very high	61 Å²	61	37.3 Å²	37.3	23%	0.23	21%	0.213	C	C	.	.			trans	-95.7	122.8	179.6	-171.7	168.8	-175.6	-140.7	9.6	110.2	D965 G966 I967 T974 F976 K1001 F1002	D965-R1004 WeakPolarHBondContact O-CD 3.47Å; D965-R1004 PolarHBondContact O-NH1 3.17Å; G966-R1004 CarbonylContact C-O 3.23Å; G966-R1004 VanDerWaalsContact C-O 3.23Å; G966-R1004 WeakPolarHBondContact CA-O 3.23Å; I967-R1004 PolarHBondContact N-O 3.5Å; I967-R1004 PolarHBondContact O-N 3.32Å; T974-R1004 PolarHBondContact OG1-O 2.99Å; F976-R1004 VanDerWaalsContact CE2-CZ 3.45Å; K1001-R1004 WeakPolarHBondContact O-CB 3.42Å; F1002-R1004 PolarHBondContact O-N 3.05Å
1005	K	81.5	Confident	90.4	Very high	145 Å²	145	39.9 Å²	39.9	63%	0.63	23%	0.232	S	C	*	.			trans	-106.8	108.5	177.6	-172.5	173.6	-178.3	171	0	110.7	D968 A971	D968-K1005 HydrophobicContact CB-CB 4.33Å; A971-K1005 HydrophobicContact CB-CD 4.43Å; A971-K1005 HydrophobicContact CB-CG 4.5Å
1006	S	84.9	Confident	90.4	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	23%	0.233	C	C	.	.			trans	-90.9	160.9	174	-45.3	0	0	0	0	110.1	T974 T975 F976 N1008	T974-S1006 WeakPolarHBondContact OG1-CB 3.29Å; T974-S1006 PolarHBondContact OG1-N 3.1Å; T974-S1006 PolarHBondContact OG1-OG 2.74Å; T975-S1006 WeakPolarHBondContact O-CB 3.44Å; F976-S1006 VanDerWaalsContact CE2-OG 3.28Å; F976-S1006 WeakPolarHBondContact CE2-OG 3.45Å; S1006-N1008 VanDerWaalsContact C-N 3.32Å; S1006-N1008 PolarHBondContact O-N 2.74Å
1007	P	83.3	Confident	90.3	Very high	96 Å²	96	43.5 Å²	43.5	62%	0.623	25%	0.251	S	S	*	.	S	Bend	trans	-66.9	-26.6	-169.6	23.2	-33.3	0	0	0	114.8	F976	F976-P1007 HydrophobicContact CD1-CG 4.13Å
1008	N	89.3	Confident	90.5	Very high	30 Å²	30	45.2 Å²	45.2	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.8	-176.3	-54.5	-63.9	0	0	0	111.5	T974 T975 N977 Y980 S1006	T974-N1008 CarbonylContact C-O 3.46Å; T974-N1008 WeakPolarHBondContact CA-O 3.32Å; T974-N1008 WeakPolarHBondContact CB-O 3.45Å; T975-N1008 HydrophobicContact CG2-CB 4.12Å; T975-N1008 PolarHBondContact N-O 3.04Å; T975-N1008 WeakPolarHBondContact O-CB 3.37Å; T975-N1008 PolarHBondContact O-N 3.27Å; T975-N1008 VanDerWaalsContact O-N 3.12Å; T975-N1008 PolarHBondContact O-ND2 3.41Å; N977-N1008 PolarHBondContact O-ND2 3.5Å; N977-N1008 VanDerWaalsContact O-ND2 3.13Å; Y980-N1008 HydrophobicContact CD1-CB 3.41Å; Y980-N1008 VanDerWaalsContact CD1-CB 3.41Å; Y980-N1008 HydrophobicContact CE1-CB 3.62Å; Y980-N1008 HydrophobicContact CG-CB 3.93Å; S1006-N1008 VanDerWaalsContact C-N 3.32Å; S1006-N1008 PolarHBondContact O-N 2.74Å
1009	V	91.8	Very high	90.7	Very high	65 Å²	65	45.2 Å²	45.2	39%	0.394	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.4	178	177.7	0	0	0	0	109.6	A971 T974 Y980	A971-V1009 HydrophobicContact CB-CG2 4.33Å; A971-V1009 WeakPolarHBondContact O-CG1 3.42Å; T974-V1009 HydrophobicContact CG2-CG2 4.24Å; Y980-V1009 WeakPolarHBondContact CD2-O 3.35Å; Y980-V1009 WeakPolarHBondContact CE2-O 3.21Å
1010	V	92.6	Very high	90.9	Very high	8 Å²	8	44 Å²	44	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-60.5	-179.7	-177.7	0	0	0	0	110.5	M962 V973 T975	M962-V1010 HydrophobicContact SD-CG1 4.01Å; V973-V1010 HydrophobicContact CB-CB 4.46Å; V973-V1010 HydrophobicContact CG1-CB 4.44Å; V973-V1010 PolarHBondContact O-N 3.25Å; T975-V1010 HydrophobicContact CG2-CG2 3.6Å
1011	C	92.7	Very high	91.4	Very high	14 Å²	14	41 Å²	41	10%	0.095	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.5	178.4	63.3	0	0	0	0	110.2	V973	V973-C1011 PolarHBondContact N-O 3.5Å
1012	S	92.8	Very high	91.5	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	23%	0.227	S	C	.	.			trans	-76.2	157.9	173.3	85.1	0	0	0	0	110.1	E1014 S1015	S1012-E1014 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1014 PolarHBondContact O-N 3.13Å; S1012-E1014 PolarHBondContact OG-OE2 2.59Å; S1012-S1015 WeakPolarHBondContact O-CB 3.41Å; S1012-S1015 PolarHBondContact O-N 3.04Å; S1012-S1015 VanDerWaalsContact O-N 3.08Å; S1012-S1015 PolarHBondContact OG-OG 3.45Å
1013	L	92.7	Very high	91.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30.9	178.2	-85.6	173.5	0	0	0	112.1	I967 L969 S1015 V1016 L1033 K1036 I1038	I967-L1013 HydrophobicContact CG2-CD2 3.95Å; L969-L1013 HydrophobicContact CD2-CD1 4.28Å; L1013-S1015 PolarHBondContact O-N 3.3Å; L1013-V1016 WeakPolarHBondContact O-CB 3.4Å; L1013-V1016 PolarHBondContact O-N 3.26Å; L1013-V1016 VanDerWaalsContact O-N 3.09Å; L1013-L1033 HydrophobicContact CD1-CD2 3.84Å; L1013-L1033 HydrophobicContact CD2-CD2 3.68Å; L1013-L1033 HydrophobicContact CG-CD2 4.36Å; L1013-K1036 HydrophobicContact CB-CD 3.92Å; L1013-K1036 HydrophobicContact CD1-CD 3.9Å; L1013-I1038 HydrophobicContact CB-CD1 3.98Å; L1013-I1038 HydrophobicContact CD2-CD1 3.81Å; L1013-I1038 HydrophobicContact CG-CD1 4.39Å; L1013-I1038 WeakPolarHBondContact O-CD1 3.33Å
1014	E	89.8	Confident	91.5	Very high	113 Å²	113	42.1 Å²	42.1	53%	0.528	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-68	-11.3	177.1	-55.5	76.2	-165.2	0	0	113.3	S1012 K1036	S1012-E1014 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1014 PolarHBondContact O-N 3.13Å; S1012-E1014 PolarHBondContact OG-OE2 2.59Å; E1014-K1036 IonicContact OE1-NZ 3.5Å; E1014-K1036 PolarHBondContact OE1-NZ 2.9Å
1015	S	91.7	Very high	91.7	Very high	55 Å²	55	39.8 Å²	39.8	39%	0.385	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-91.8	-0.6	174.4	-48.3	0	0	0	0	112.9	V993 S1012 L1013	V993-S1015 WeakPolarHBondContact CB-O 3.49Å; S1012-S1015 WeakPolarHBondContact O-CB 3.41Å; S1012-S1015 PolarHBondContact O-N 3.04Å; S1012-S1015 VanDerWaalsContact O-N 3.08Å; S1012-S1015 PolarHBondContact OG-OG 3.45Å; L1013-S1015 PolarHBondContact O-N 3.3Å
1016	V	96.2	Very high	92.1	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	23%	0.232	C	C	.	.			trans	-101.3	121.8	-179.8	177.9	0	0	0	0	108.2	V973 V993 L995 L1013 K1018 I1038	V973-V1016 HydrophobicContact CG2-CG2 3.97Å; V993-V1016 HydrophobicContact CG1-CG2 4.46Å; L995-V1016 HydrophobicContact CB-CG1 3.67Å; L995-V1016 HydrophobicContact CB-CG2 4.49Å; L995-V1016 HydrophobicContact CD2-CG2 4.45Å; L1013-V1016 WeakPolarHBondContact O-CB 3.4Å; L1013-V1016 PolarHBondContact O-N 3.26Å; L1013-V1016 VanDerWaalsContact O-N 3.09Å; V1016-K1018 VanDerWaalsContact CG1-O 3.23Å; V1016-K1018 WeakPolarHBondContact CG1-O 3.44Å; V1016-I1038 HydrophobicContact CG1-CG2 4.17Å
1017	D	96.6	Very high	92.3	Very high	71 Å²	71	41.8 Å²	41.8	38%	0.38	26%	0.261	S	S	.	.	S	Bend	trans	-83.4	-44.4	179.5	-58.8	-79.3	0	0	0	111.4	E992 V993 D1039	E992-D1017 WeakPolarHBondContact CA-OD2 3.47Å; E992-D1017 HydrophobicContact CG-CB 3.92Å; V993-D1017 PolarHBondContact N-OD2 2.8Å; V993-D1017 PolarHBondContact O-N 3.24Å; D1017-D1039 PolarHBondContact O-N 3.47Å
1018	K	97.8	Very high	92.5	Very high	37 Å²	37	40.2 Å²	40.2	16%	0.161	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144	-178.9	-73.6	175.7	176	61.9	0	111.4	F879 E992 V993 I994 L995 V1016 D1039 I1041	F879-K1018 HydrophobicContact CD1-CD 4.03Å; F879-K1018 HydrophobicContact CE1-CD 3.78Å; F879-K1018 HydrophobicContact CZ-CD 4.22Å; E992-K1018 IonicContact OE1-NZ 3.82Å; E992-K1018 PolarHBondContact OE1-NZ 2.74Å; V993-K1018 PolarHBondContact O-N 2.9Å; I994-K1018 CarbonylContact C-O 2.93Å; I994-K1018 WeakPolarHBondContact CA-O 3.28Å; I994-K1018 HydrophobicContact CG1-CB 4.23Å; I994-K1018 HydrophobicContact CG2-CB 4.17Å; L995-K1018 PolarHBondContact N-O 3.3Å; V1016-K1018 VanDerWaalsContact CG1-O 3.23Å; V1016-K1018 WeakPolarHBondContact CG1-O 3.44Å; K1018-D1039 CarbonylContact C-O 3.49Å; K1018-D1039 WeakPolarHBondContact CA-O 3.07Å; K1018-D1039 WeakPolarHBondContact CE-OD2 3.49Å; K1018-D1039 HydrophobicContact CG-CB 3.97Å; K1018-I1041 HydrophobicContact CB-CD1 4.2Å; K1018-I1041 HydrophobicContact CD-CD1 4.15Å; K1018-I1041 HydrophobicContact CG-CD1 4.23Å
1019	L	97.4	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.4	175.2	-177.7	154.9	0	0	0	110	I967 L995 F1002 T1021 L1033 I1038 D1039 V1040 I1041	I967-L1019 HydrophobicContact CD1-CD1 4.08Å; L995-L1019 HydrophobicContact CD2-CD1 3.99Å; L995-L1019 CarbonylContact O-C 3.59Å; L995-L1019 WeakPolarHBondContact O-CA 3.46Å; F1002-L1019 HydrophobicContact CE1-CD1 4.08Å; F1002-L1019 HydrophobicContact CE1-CD2 3.96Å; F1002-L1019 HydrophobicContact CZ-CD2 3.86Å; L1019-T1021 HydrophobicContact CD2-CG2 4.07Å; L1019-L1033 HydrophobicContact CD1-CD1 3.94Å; L1019-L1033 HydrophobicContact CD1-CD2 4.36Å; L1019-I1038 HydrophobicContact CB-CG2 3.71Å; L1019-D1039 PolarHBondContact N-O 3.37Å; L1019-V1040 HydrophobicContact CD2-CG1 4.08Å; L1019-V1040 CarbonylContact O-C 3.59Å; L1019-V1040 WeakPolarHBondContact O-CA 3.33Å; L1019-I1041 PolarHBondContact O-N 2.82Å
1020	I	97.4	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.2	-178.1	-49.4	179.5	0	0	0	109.3	I872 A875 A876 F879 I994 L995 A997 I1041 T1043	I872-I1020 HydrophobicContact CB-CG2 4.43Å; I872-I1020 HydrophobicContact CG2-CB 4.1Å; I872-I1020 HydrophobicContact CG2-CG2 3.85Å; A875-I1020 HydrophobicContact CB-CG2 3.8Å; A876-I1020 VanDerWaalsContact CA-CD1 3.4Å; A876-I1020 HydrophobicContact CB-CD1 3.7Å; F879-I1020 HydrophobicContact CD2-CD1 3.99Å; F879-I1020 HydrophobicContact CE2-CD1 3.81Å; I994-I1020 HydrophobicContact CG2-CD1 3.69Å; I994-I1020 HydrophobicContact CG2-CG1 4.06Å; L995-I1020 PolarHBondContact O-N 3.26Å; A997-I1020 PolarHBondContact N-O 3.2Å; A997-I1020 VanDerWaalsContact N-O 3.13Å; I1020-I1041 WeakPolarHBondContact CA-O 3.47Å; I1020-I1041 HydrophobicContact CD1-CD1 4.4Å; I1020-I1041 HydrophobicContact CG1-CB 4.23Å; I1020-I1041 HydrophobicContact CG1-CD1 3.88Å; I1020-I1041 HydrophobicContact CG2-CG2 4.39Å; I1020-T1043 HydrophobicContact CG2-CG2 4.12Å
1021	T	96.9	Very high	92.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	171.6	-175.4	-161.7	0	0	0	0	113.7	A997 F1002 L1019 I1025 I1041 I1042 T1043	A997-T1021 WeakPolarHBondContact O-CA 3.27Å; A997-T1021 WeakPolarHBondContact O-CB 3.35Å; A997-T1021 PolarHBondContact O-OG1 3.11Å; F1002-T1021 WeakPolarHBondContact CE2-OG1 3.49Å; F1002-T1021 HydrophobicContact CZ-CG2 4.17Å; F1002-T1021 WeakPolarHBondContact CZ-OG1 3.36Å; L1019-T1021 HydrophobicContact CD2-CG2 4.07Å; T1021-I1025 HydrophobicContact CG2-CB 4.02Å; T1021-I1025 HydrophobicContact CG2-CD1 4.08Å; T1021-I1025 HydrophobicContact CG2-CG2 3.93Å; T1021-I1041 PolarHBondContact N-O 3.29Å; T1021-I1042 HydrophobicContact CG2-CG1 4.46Å; T1021-T1043 WeakPolarHBondContact O-CG2 3.47Å; T1021-T1043 PolarHBondContact O-N 3.3Å; T1021-T1043 PolarHBondContact O-OG1 3.12Å; T1021-T1043 VanDerWaalsContact O-OG1 3.06Å
1022	D	93.1	Very high	92.6	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.064	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	160.6	172.6	70.1	-88	0	0	0	112.9	K868 D998 S999 G1024 I1025 T1043	K868-D1022 HydrophobicContact CB-CB 4.35Å; K868-D1022 HydrophobicContact CD-CB 4.48Å; K868-D1022 WeakPolarHBondContact CE-OD2 3.4Å; K868-D1022 HydrophobicContact CG-CB 4.36Å; K868-D1022 IonicContact NZ-OD1 2.92Å; K868-D1022 IonicContact NZ-OD2 3.93Å; K868-D1022 PolarHBondContact NZ-OD2 2.92Å; D998-D1022 VanDerWaalsContact CA-OD1 3.3Å; D998-D1022 WeakPolarHBondContact CA-OD1 3.37Å; S999-D1022 WeakPolarHBondContact CB-OD1 3.49Å; S999-D1022 PolarHBondContact N-OD1 3.04Å; S999-D1022 PolarHBondContact OG-OD2 3.46Å; D1022-G1024 PolarHBondContact O-N 3.35Å; D1022-G1024 PolarHBondContact OD2-N 3.3Å; D1022-G1024 VanDerWaalsContact OD2-N 3.16Å; D1022-I1025 PolarHBondContact O-N 2.9Å; D1022-T1043 VanDerWaalsContact CA-OG1 3.32Å; D1022-T1043 WeakPolarHBondContact CA-OG1 3.12Å
1023	A	88.4	Confident	92.6	Very high	74 Å²	74	43.1 Å²	43.1	61%	0.612	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-3.6	-178.1	0	0	0	0	0	115.1	I1025 I1042	A1023-I1025 VanDerWaalsContact C-N 3.31Å; A1023-I1042 HydrophobicContact CB-CG2 3.91Å
1024	G	88	Confident	92.6	Very high	45 Å²	45	46.9 Å²	46.9	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.9	174.6	0	0	0	0	0	115.6	S999 D1022	S999-G1024 WeakPolarHBondContact CB-O 3.39Å; D1022-G1024 PolarHBondContact O-N 3.35Å; D1022-G1024 PolarHBondContact OD2-N 3.3Å; D1022-G1024 VanDerWaalsContact OD2-N 3.16Å
1025	I	91.6	Very high	92.7	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.056	28%	0.283	C	S	.	.	S	Bend	trans	-64.7	139.1	175.7	-172.5	171.7	0	0	0	111	F1002 T1021 D1022 A1023 R1030 L1033 I1042	F1002-I1025 HydrophobicContact CD1-CD1 3.75Å; F1002-I1025 HydrophobicContact CD1-CG1 4.12Å; F1002-I1025 HydrophobicContact CE1-CD1 3.42Å; F1002-I1025 VanDerWaalsContact CE1-CD1 3.42Å; F1002-I1025 HydrophobicContact CE1-CG1 4.18Å; F1002-I1025 HydrophobicContact CE2-CD1 4.48Å; F1002-I1025 HydrophobicContact CG-CD1 4.41Å; F1002-I1025 HydrophobicContact CG-CG1 4.31Å; F1002-I1025 HydrophobicContact CZ-CD1 3.84Å; F1002-I1025 HydrophobicContact CZ-CG1 4.42Å; T1021-I1025 HydrophobicContact CG2-CB 4.02Å; T1021-I1025 HydrophobicContact CG2-CD1 4.08Å; T1021-I1025 HydrophobicContact CG2-CG2 3.93Å; D1022-I1025 PolarHBondContact O-N 2.9Å; A1023-I1025 VanDerWaalsContact C-N 3.31Å; I1025-R1030 HydrophobicContact CD1-CB 4.14Å; I1025-R1030 HydrophobicContact CG1-CB 4.48Å; I1025-L1033 HydrophobicContact CD1-CD1 4Å; I1025-I1042 HydrophobicContact CG2-CD1 3.85Å; I1025-I1042 HydrophobicContact CG2-CG1 4.41Å
1026	D	89.1	Confident	92.7	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	28%	0.281	S	S	.	.			trans	-65.9	127.9	174.5	174.4	65.9	0	0	0	110.7	A1028 F1029 R1030	D1026-A1028 VanDerWaalsContact C-N 3.28Å; D1026-A1028 PolarHBondContact O-N 3.21Å; D1026-A1028 WeakPolarHBondContact OD2-CB 3.43Å; D1026-A1028 PolarHBondContact OD2-N 3.08Å; D1026-F1029 HydrophobicContact CB-CB 4Å; D1026-F1029 WeakPolarHBondContact O-CB 3.39Å; D1026-F1029 PolarHBondContact O-N 3.22Å; D1026-F1029 PolarHBondContact OD2-N 3.31Å; D1026-R1030 PolarHBondContact O-N 3.33Å
1027	P	88.8	Confident	92.4	Very high	99 Å²	99	52.3 Å²	52.3	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-57.7	-34.8	-177.8	-28	35.4	0	0	0	114.5	R1030 Q1031	P1027-R1030 PolarHBondContact O-N 3.02Å; P1027-Q1031 PolarHBondContact O-N 3.02Å
1028	A	88.4	Confident	92.3	Very high	63 Å²	63	49.2 Å²	49.2	52%	0.521	30%	0.295	S	S	.	.	H	α-helix	trans	-72.3	-36.1	177.5	0	0	0	0	0	111.3	D1026 Q1031 A1032	D1026-A1028 VanDerWaalsContact C-N 3.28Å; D1026-A1028 PolarHBondContact O-N 3.21Å; D1026-A1028 WeakPolarHBondContact OD2-CB 3.43Å; D1026-A1028 PolarHBondContact OD2-N 3.08Å; A1028-Q1031 PolarHBondContact O-N 3.01Å; A1028-A1032 WeakPolarHBondContact O-CB 3.42Å; A1028-A1032 PolarHBondContact O-N 3.06Å; A1028-A1032 VanDerWaalsContact O-N 3.08Å
1029	F	92.1	Very high	92.2	Very high	24 Å²	24	51.3 Å²	51.3	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-41.9	172.2	-153.9	-72.5	0	0	0	111.9	I967 L969 F1002 D1026 A1032 L1033	I967-F1029 HydrophobicContact CG2-CE1 4.13Å; I967-F1029 HydrophobicContact CG2-CZ 4.3Å; L969-F1029 HydrophobicContact CD1-CD2 4.08Å; L969-F1029 HydrophobicContact CD1-CE2 4.01Å; L969-F1029 HydrophobicContact CD1-CZ 4.39Å; L969-F1029 HydrophobicContact CD2-CD1 4.07Å; L969-F1029 HydrophobicContact CD2-CE1 3.69Å; L969-F1029 HydrophobicContact CD2-CE2 4.26Å; L969-F1029 HydrophobicContact CD2-CZ 3.82Å; L969-F1029 HydrophobicContact CG-CD1 4.49Å; L969-F1029 HydrophobicContact CG-CD2 4.17Å; L969-F1029 HydrophobicContact CG-CE1 4.01Å; L969-F1029 HydrophobicContact CG-CE2 3.68Å; L969-F1029 HydrophobicContact CG-CZ 3.59Å; F1002-F1029 HydrophobicContact CB-CD1 4.28Å; F1002-F1029 HydrophobicContact CB-CE1 4.21Å; F1002-F1029 HydrophobicContact CB-CE2 4.42Å; F1002-F1029 HydrophobicContact CB-CG 4.44Å; F1002-F1029 HydrophobicContact CB-CZ 4.26Å; F1002-F1029 AromaticContact CD1-CD1 3.66Å; F1002-F1029 HydrophobicContact CD1-CD1 3.66Å; F1002-F1029 AromaticContact CD1-CE1 3.58Å; F1002-F1029 HydrophobicContact CD1-CE1 3.58Å; F1002-F1029 HydrophobicContact CD1-CZ 4.37Å; F1002-F1029 HydrophobicContact CG-CD1 4.41Å; F1002-F1029 HydrophobicContact CG-CE1 4.38Å; D1026-F1029 HydrophobicContact CB-CB 4Å; D1026-F1029 WeakPolarHBondContact O-CB 3.39Å; D1026-F1029 PolarHBondContact O-N 3.22Å; D1026-F1029 PolarHBondContact OD2-N 3.31Å; F1029-A1032 PolarHBondContact O-N 3.09Å; F1029-L1033 HydrophobicContact CD1-CD1 3.68Å; F1029-L1033 HydrophobicContact CD1-CG 3.98Å; F1029-L1033 HydrophobicContact CE1-CD1 3.9Å; F1029-L1033 HydrophobicContact CE1-CD2 4.16Å; F1029-L1033 HydrophobicContact CE1-CG 4.05Å; F1029-L1033 WeakPolarHBondContact O-CG 3.34Å; F1029-L1033 PolarHBondContact O-N 3.5Å; F1029-L1033 VanDerWaalsContact O-N 3.11Å
1030	R	92.1	Very high	92.1	Very high	68 Å²	68	51.7 Å²	51.7	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-52.6	172.9	174.1	-175	175.3	165.6	2.9	111	I1025 D1026 P1027 A1032 L1033 E1034 V1040 E1045	I1025-R1030 HydrophobicContact CD1-CB 4.14Å; I1025-R1030 HydrophobicContact CG1-CB 4.48Å; D1026-R1030 PolarHBondContact O-N 3.33Å; P1027-R1030 PolarHBondContact O-N 3.02Å; R1030-A1032 VanDerWaalsContact C-N 3.27Å; R1030-A1032 PolarHBondContact O-N 3.18Å; R1030-L1033 WeakPolarHBondContact O-CB 3.38Å; R1030-L1033 PolarHBondContact O-N 3.36Å; R1030-E1034 HydrophobicContact CG-CG 4.49Å; R1030-E1034 IonicContact CZ-OE1 3.75Å; R1030-E1034 IonicContact NE-OE1 3.41Å; R1030-E1034 PolarHBondContact NE-OE1 3.46Å; R1030-E1034 IonicContact NH2-OE1 3.05Å; R1030-E1034 PolarHBondContact NH2-OE1 3.11Å; R1030-E1034 PolarHBondContact O-N 3.3Å; R1030-V1040 HydrophobicContact CG-CB 4.46Å; R1030-V1040 HydrophobicContact CG-CG1 4.12Å; R1030-E1045 IonicContact NH1-OE2 3.48Å; R1030-E1045 PolarHBondContact NH1-OE2 2.72Å
1031	Q	91	Very high	92	Very high	108 Å²	108	52.2 Å²	52.2	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-57.2	-42.5	179.6	-174.8	-175.7	-12.3	0	0	111.6	P1027 A1028 L1033 E1034 E1035	P1027-Q1031 PolarHBondContact O-N 3.02Å; A1028-Q1031 PolarHBondContact O-N 3.01Å; Q1031-L1033 VanDerWaalsContact C-N 3.27Å; Q1031-L1033 PolarHBondContact O-N 3.02Å; Q1031-E1034 PolarHBondContact O-N 3.34Å; Q1031-E1035 PolarHBondContact NE2-OE1 3.1Å; Q1031-E1035 WeakPolarHBondContact O-CB 3.12Å; Q1031-E1035 WeakPolarHBondContact O-CG 3.03Å; Q1031-E1035 PolarHBondContact O-N 2.85Å
1032	A	92.2	Very high	91.8	Very high	25 Å²	25	52.8 Å²	52.8	21%	0.207	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-26.8	178	0	0	0	0	0	113.8	L969 A1028 F1029 R1030	L969-A1032 HydrophobicContact CD1-CB 3.85Å; L969-A1032 HydrophobicContact CD2-CB 3.74Å; L969-A1032 HydrophobicContact CG-CB 4.47Å; A1028-A1032 WeakPolarHBondContact O-CB 3.42Å; A1028-A1032 PolarHBondContact O-N 3.06Å; A1028-A1032 VanDerWaalsContact O-N 3.08Å; F1029-A1032 PolarHBondContact O-N 3.09Å; R1030-A1032 VanDerWaalsContact C-N 3.27Å; R1030-A1032 PolarHBondContact O-N 3.18Å
1033	L	93	Very high	91.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-75.7	-44.4	173	-69	165.1	0	0	0	111.3	L969 F1002 L1013 L1019 I1025 F1029 R1030 Q1031 E1035 K1036 I1038 V1040	L969-L1033 HydrophobicContact CD2-CD2 4.23Å; L969-L1033 HydrophobicContact CD2-CG 4.34Å; F1002-L1033 HydrophobicContact CD1-CD1 4.24Å; F1002-L1033 HydrophobicContact CE1-CD1 3.93Å; L1013-L1033 HydrophobicContact CD1-CD2 3.84Å; L1013-L1033 HydrophobicContact CD2-CD2 3.68Å; L1013-L1033 HydrophobicContact CG-CD2 4.36Å; L1019-L1033 HydrophobicContact CD1-CD1 3.94Å; L1019-L1033 HydrophobicContact CD1-CD2 4.36Å; I1025-L1033 HydrophobicContact CD1-CD1 4Å; F1029-L1033 HydrophobicContact CD1-CD1 3.68Å; F1029-L1033 HydrophobicContact CD1-CG 3.98Å; F1029-L1033 HydrophobicContact CE1-CD1 3.9Å; F1029-L1033 HydrophobicContact CE1-CD2 4.16Å; F1029-L1033 HydrophobicContact CE1-CG 4.05Å; F1029-L1033 WeakPolarHBondContact O-CG 3.34Å; F1029-L1033 PolarHBondContact O-N 3.5Å; F1029-L1033 VanDerWaalsContact O-N 3.11Å; R1030-L1033 WeakPolarHBondContact O-CB 3.38Å; R1030-L1033 PolarHBondContact O-N 3.36Å; Q1031-L1033 VanDerWaalsContact C-N 3.27Å; Q1031-L1033 PolarHBondContact O-N 3.02Å; L1033-E1035 VanDerWaalsContact C-N 3.33Å; L1033-E1035 PolarHBondContact O-N 3.44Å; L1033-K1036 WeakPolarHBondContact O-CB 3.42Å; L1033-K1036 PolarHBondContact O-N 3.08Å; L1033-I1038 HydrophobicContact CB-CD1 4.35Å; L1033-I1038 HydrophobicContact CD2-CD1 3.8Å; L1033-I1038 WeakPolarHBondContact O-CB 3.47Å; L1033-I1038 PolarHBondContact O-N 2.97Å; L1033-V1040 HydrophobicContact CB-CG2 3.83Å; L1033-V1040 HydrophobicContact CD1-CG2 4.4Å
1034	E	93	Very high	90.8	Very high	81 Å²	81	53.5 Å²	53.5	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-38.3	177	-69	171.9	172.4	0	0	111.5	R1030 Q1031 K1036 G1037 V1040	R1030-E1034 HydrophobicContact CG-CG 4.49Å; R1030-E1034 IonicContact CZ-OE1 3.75Å; R1030-E1034 IonicContact NE-OE1 3.41Å; R1030-E1034 PolarHBondContact NE-OE1 3.46Å; R1030-E1034 IonicContact NH2-OE1 3.05Å; R1030-E1034 PolarHBondContact NH2-OE1 3.11Å; R1030-E1034 PolarHBondContact O-N 3.3Å; Q1031-E1034 PolarHBondContact O-N 3.34Å; E1034-K1036 PolarHBondContact O-N 3.43Å; E1034-G1037 WeakPolarHBondContact O-CA 3.34Å; E1034-G1037 PolarHBondContact O-N 3.03Å; E1034-V1040 HydrophobicContact CG-CB 4.21Å; E1034-V1040 HydrophobicContact CG-CG2 3.91Å
1035	E	91.4	Very high	89.8	Confident	144 Å²	144	56.3 Å²	56.3	67%	0.673	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.4	173.4	-76.9	175.8	-169.8	0	0	113.4	Q1031 L1033 G1037	Q1031-E1035 PolarHBondContact NE2-OE1 3.1Å; Q1031-E1035 WeakPolarHBondContact O-CB 3.12Å; Q1031-E1035 WeakPolarHBondContact O-CG 3.03Å; Q1031-E1035 PolarHBondContact O-N 2.85Å; L1033-E1035 VanDerWaalsContact C-N 3.33Å; L1033-E1035 PolarHBondContact O-N 3.44Å; E1035-G1037 VanDerWaalsContact C-N 3.27Å
1036	K	91.6	Very high	87.2	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.339	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.1	172.5	-73.8	178.7	167.6	-68.2	0	113.3	L969 L1013 E1014 L1033 E1034 I1038	L969-K1036 WeakPolarHBondContact O-CE 3.47Å; L1013-K1036 HydrophobicContact CB-CD 3.92Å; L1013-K1036 HydrophobicContact CD1-CD 3.9Å; E1014-K1036 IonicContact OE1-NZ 3.5Å; E1014-K1036 PolarHBondContact OE1-NZ 2.9Å; L1033-K1036 WeakPolarHBondContact O-CB 3.42Å; L1033-K1036 PolarHBondContact O-N 3.08Å; E1034-K1036 PolarHBondContact O-N 3.43Å; K1036-I1038 HydrophobicContact CB-CD1 4.46Å; K1036-I1038 HydrophobicContact CB-CG1 4.48Å
1037	G	90.1	Very high	84.8	Confident	66 Å²	66	62.7 Å²	62.7	68%	0.68	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	14.8	179.8	0	0	0	0	0	114.4	E1034 E1035	E1034-G1037 WeakPolarHBondContact O-CA 3.34Å; E1034-G1037 PolarHBondContact O-N 3.03Å; E1035-G1037 VanDerWaalsContact C-N 3.27Å
1038	I	94.9	Very high	82	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	40%	0.403	C	S	.	.			trans	-86.8	130.1	177.8	-54.9	169.1	0	0	0	109.2	L1013 V1016 L1019 L1033 K1036 V1040	L1013-I1038 HydrophobicContact CB-CD1 3.98Å; L1013-I1038 HydrophobicContact CD2-CD1 3.81Å; L1013-I1038 HydrophobicContact CG-CD1 4.39Å; L1013-I1038 WeakPolarHBondContact O-CD1 3.33Å; V1016-I1038 HydrophobicContact CG1-CG2 4.17Å; L1019-I1038 HydrophobicContact CB-CG2 3.71Å; L1033-I1038 HydrophobicContact CB-CD1 4.35Å; L1033-I1038 HydrophobicContact CD2-CD1 3.8Å; L1033-I1038 WeakPolarHBondContact O-CB 3.47Å; L1033-I1038 PolarHBondContact O-N 2.97Å; K1036-I1038 HydrophobicContact CB-CD1 4.46Å; K1036-I1038 HydrophobicContact CB-CG1 4.48Å; I1038-V1040 HydrophobicContact CG2-CG2 4.36Å; I1038-V1040 PolarHBondContact O-N 2.94Å
1039	D	95.5	Very high	81.6	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.6	171.9	178.4	20	0	0	0	110.1	D1017 K1018 L1019	D1017-D1039 PolarHBondContact O-N 3.47Å; K1018-D1039 CarbonylContact C-O 3.49Å; K1018-D1039 WeakPolarHBondContact CA-O 3.07Å; K1018-D1039 WeakPolarHBondContact CE-OD2 3.49Å; K1018-D1039 HydrophobicContact CG-CB 3.97Å; L1019-D1039 PolarHBondContact N-O 3.37Å
1040	V	95.4	Very high	81.1	Confident	9 Å²	9	73.5 Å²	73.5	6%	0.055	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.4	-174.9	-179.1	0	0	0	0	110.8	L1019 R1030 L1033 E1034 I1038	L1019-V1040 HydrophobicContact CD2-CG1 4.08Å; L1019-V1040 CarbonylContact O-C 3.59Å; L1019-V1040 WeakPolarHBondContact O-CA 3.33Å; R1030-V1040 HydrophobicContact CG-CB 4.46Å; R1030-V1040 HydrophobicContact CG-CG1 4.12Å; L1033-V1040 HydrophobicContact CB-CG2 3.83Å; L1033-V1040 HydrophobicContact CD1-CG2 4.4Å; E1034-V1040 HydrophobicContact CG-CB 4.21Å; E1034-V1040 HydrophobicContact CG-CG2 3.91Å; I1038-V1040 HydrophobicContact CG2-CG2 4.36Å; I1038-V1040 PolarHBondContact O-N 2.94Å
1041	I	95.2	Very high	80.5	Confident	10 Å²	10	73.8 Å²	73.8	5%	0.051	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.6	-177.6	-60.2	142	0	0	0	109.5	F879 K1018 L1019 I1020 T1021	F879-I1041 HydrophobicContact CE1-CD1 4.28Å; F879-I1041 HydrophobicContact CE2-CD1 3.7Å; F879-I1041 HydrophobicContact CZ-CD1 3.34Å; F879-I1041 HydrophobicContact CZ-CG1 4.27Å; K1018-I1041 HydrophobicContact CB-CD1 4.2Å; K1018-I1041 HydrophobicContact CD-CD1 4.15Å; K1018-I1041 HydrophobicContact CG-CD1 4.23Å; L1019-I1041 PolarHBondContact O-N 2.82Å; I1020-I1041 WeakPolarHBondContact CA-O 3.47Å; I1020-I1041 HydrophobicContact CD1-CD1 4.4Å; I1020-I1041 HydrophobicContact CG1-CB 4.23Å; I1020-I1041 HydrophobicContact CG1-CD1 3.88Å; I1020-I1041 HydrophobicContact CG2-CG2 4.39Å; T1021-I1041 PolarHBondContact N-O 3.29Å
1042	I	93.3	Very high	79.9	Confident	12 Å²	12	71.8 Å²	71.8	6%	0.062	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.6	176.6	-60.2	-169.9	0	0	0	110.2	T1021 A1023 I1025 G1044 E1045	T1021-I1042 HydrophobicContact CG2-CG1 4.46Å; A1023-I1042 HydrophobicContact CB-CG2 3.91Å; I1025-I1042 HydrophobicContact CG2-CD1 3.85Å; I1025-I1042 HydrophobicContact CG2-CG1 4.41Å; I1042-G1044 PolarHBondContact O-N 2.99Å; I1042-E1045 HydrophobicContact CB-CB 4.38Å; I1042-E1045 HydrophobicContact CB-CG 4.18Å; I1042-E1045 HydrophobicContact CG2-CG 4.05Å; I1042-E1045 PolarHBondContact O-N 2.72Å
1043	T	87.4	Confident	79.1	Confident	15 Å²	15	74.8 Å²	74.8	9%	0.092	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.5	175.2	55	0	0	0	0	111.3	L871 I872 A875 I1020 T1021 D1022	L871-T1043 HydrophobicContact CB-CG2 4.23Å; L871-T1043 VanDerWaalsContact O-CG2 3.28Å; L871-T1043 WeakPolarHBondContact O-CG2 3.43Å; I872-T1043 HydrophobicContact CB-CG2 4.36Å; I872-T1043 HydrophobicContact CG1-CG2 3.91Å; A875-T1043 HydrophobicContact CB-CG2 3.83Å; I1020-T1043 HydrophobicContact CG2-CG2 4.12Å; T1021-T1043 WeakPolarHBondContact O-CG2 3.47Å; T1021-T1043 PolarHBondContact O-N 3.3Å; T1021-T1043 PolarHBondContact O-OG1 3.12Å; T1021-T1043 VanDerWaalsContact O-OG1 3.06Å; D1022-T1043 VanDerWaalsContact CA-OG1 3.32Å; D1022-T1043 WeakPolarHBondContact CA-OG1 3.12Å
1044	G	72.4	Confident	78.2	Confident	87 Å²	87	79.7 Å²	79.7	90%	0.897	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-10.3	-178.2	0	0	0	0	0	115	I1042	I1042-G1044 PolarHBondContact O-N 2.99Å
1045	E	66.4	Low	77.1	Confident	103 Å²	103	79.6 Å²	79.6	48%	0.481	46%	0.464	S	S	.	.	S	Bend	trans	-83.8	125.2	163.7	-69.9	-174.4	168.4	0	0	108.1	R1030 I1042 N1047	R1030-E1045 IonicContact NH1-OE2 3.48Å; R1030-E1045 PolarHBondContact NH1-OE2 2.72Å; I1042-E1045 HydrophobicContact CB-CB 4.38Å; I1042-E1045 HydrophobicContact CB-CG 4.18Å; I1042-E1045 HydrophobicContact CG2-CG 4.05Å; I1042-E1045 PolarHBondContact O-N 2.72Å; E1045-N1047 PolarHBondContact O-N 3.01Å
1046	S	37.8	Very low	76	Confident	115 Å²	115	74.7 Å²	74.7	80%	0.804	45%	0.448	S	S	*	.			trans	-69	112.7	170.2	48.4	0	0	0	0	108.2	E1048	S1046-E1048 PolarHBondContact O-N 2.77Å; S1046-E1048 VanDerWaalsContact O-N 3.14Å
1047	N	39	Very low	74.7	Confident	123 Å²	123	74.4 Å²	74.4	66%	0.658	46%	0.457	S	S	*	.			trans	-59.3	116.1	168.3	-77	-11.8	0	0	0	108.1	E1045	E1045-N1047 PolarHBondContact O-N 3.01Å
1048	E	29.2	Very low	73.3	Confident	267 Å²	267	75.2 Å²	75.2	100%	1.248	44%	0.437	S	S	*	.			trans	-62.2	0	168.5	-80.2	-171.3	154.2	0	0	111.9	S1046	S1046-E1048 PolarHBondContact O-N 2.77Å; S1046-E1048 VanDerWaalsContact O-N 3.14Å

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