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Sodium/potassium/calcium exchanger 3

Calcium, potassium:sodium antiporter that transports 1 Ca(2+) and 1 K(+) in exchange for 4 Na(+).

AlphaFold DB , UniProt , Accession Q99PD7, Species MOUSE (Mus musculus, Mouse), Gene Slc24a3, Length 645 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	39.8	Very low	210 Å²	210	92.7 Å²	92.7	100%	1.034	53%	0.532	S	S	*	.				0	115.9	0	-75.9	177.3	175.9	0	0	105.5
2	P	35.5	Very low	40.3	Very low	79 Å²	79	93.5 Å²	93.5	51%	0.513	52%	0.52	S	S	.	.			trans	-61.3	150.3	166.6	29.7	-30.8	0	0	0	107.8
3	P	39.4	Very low	40.4	Very low	81 Å²	81	95.9 Å²	95.9	53%	0.526	52%	0.516	S	S	.	.			trans	-58.7	152.2	-179.3	25.5	-32.1	0	0	0	109.9	G5 D6	P3-G5 PolarHBondContact O-N 3.49Å; P3-D6 PolarHBondContact O-N 2.91Å
4	P	45.5	Very low	41.2	Very low	113 Å²	113	92.5 Å²	92.5	73%	0.734	50%	0.503	S	S	*	.	H	α-helix	trans	-57.2	-8.8	-179.3	20.1	-30.8	0	0	0	114.7
5	G	35.1	Very low	42.2	Very low	43 Å²	43	89.3 Å²	89.3	44%	0.443	48%	0.481	S	S	.	.	H	α-helix	trans	-70	-41.5	175	0	0	0	0	0	115	P3 Q7 D8 C9	P3-G5 PolarHBondContact O-N 3.49Å; G5-Q7 PolarHBondContact O-N 3.26Å; G5-D8 PolarHBondContact O-N 3.27Å; G5-D8 VanDerWaalsContact O-N 3.14Å; G5-C9 PolarHBondContact O-N 3.28Å
6	D	39.4	Very low	42.5	Very low	90 Å²	90	90.9 Å²	90.9	48%	0.481	48%	0.478	S	S	.	.	H	α-helix	trans	-68.7	-37.4	-171	-65.6	-14.7	0	0	0	113	P3 D8 C9 A10	P3-D6 PolarHBondContact O-N 2.91Å; D6-D8 VanDerWaalsContact C-N 3.3Å; D6-D8 PolarHBondContact O-N 2.97Å; D6-C9 PolarHBondContact O-N 3.42Å; D6-A10 PolarHBondContact O-N 3.25Å
7	Q	42.6	Very low	42.9	Very low	121 Å²	121	96.8 Å²	96.8	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-67.4	-35.2	175.9	-71.1	-171.1	2.9	0	0	111.5	G5 R11	G5-Q7 PolarHBondContact O-N 3.26Å; Q7-R11 WeakPolarHBondContact O-CB 3.32Å; Q7-R11 WeakPolarHBondContact O-CD 3.43Å; Q7-R11 WeakPolarHBondContact O-CG 3.48Å; Q7-R11 PolarHBondContact O-N 3.23Å
8	D	40.8	Very low	43.5	Very low	73 Å²	73	93.2 Å²	93.2	39%	0.39	47%	0.472	S	S	.	.	H	α-helix	trans	-71.6	-39.4	175.4	-81.5	-13.3	0	0	0	111.2	G5 D6 R11 R12	G5-D8 PolarHBondContact O-N 3.27Å; G5-D8 VanDerWaalsContact O-N 3.14Å; D6-D8 VanDerWaalsContact C-N 3.3Å; D6-D8 PolarHBondContact O-N 2.97Å; D8-R11 WeakPolarHBondContact O-CB 3.31Å; D8-R11 PolarHBondContact O-N 3.38Å; D8-R12 WeakPolarHBondContact O-CB 3.46Å; D8-R12 WeakPolarHBondContact O-CG 3.48Å; D8-R12 PolarHBondContact O-N 3.26Å
9	C	35.1	Very low	44.2	Very low	23 Å²	23	91.2 Å²	91.2	16%	0.155	46%	0.457	C	S	.	.	H	α-helix	trans	-65	-48.6	177.4	-174.3	0	0	0	0	112.5	G5 D6 R11 R12 R13 D431	G5-C9 PolarHBondContact O-N 3.28Å; D6-C9 PolarHBondContact O-N 3.42Å; C9-R11 VanDerWaalsContact C-N 3.25Å; C9-R11 PolarHBondContact O-N 3.46Å; C9-R12 WeakPolarHBondContact O-CA 3.31Å; C9-R12 WeakPolarHBondContact O-CB 3.4Å; C9-R12 PolarHBondContact O-N 3.1Å; C9-R13 PolarHBondContact O-N 2.89Å; C9-D431 PolarHBondContact SG-OD2 3.44Å
10	A	44	Very low	44.6	Very low	67 Å²	67	90.6 Å²	90.6	55%	0.554	46%	0.456	S	S	*	.	H	α-helix	trans	-59.7	-37.1	175.7	0	0	0	0	0	112.1	D6 S14	D6-A10 PolarHBondContact O-N 3.25Å; A10-S14 WeakPolarHBondContact O-CB 3.34Å; A10-S14 PolarHBondContact O-N 2.94Å; A10-S14 VanDerWaalsContact O-N 3.12Å
11	R	47.6	Very low	45	Very low	120 Å²	120	89.8 Å²	89.8	45%	0.453	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-39.9	172.1	-77.2	171.3	176	-168.7	-4.7	111.8	Q7 D8 C9 S14 R15	Q7-R11 WeakPolarHBondContact O-CB 3.32Å; Q7-R11 WeakPolarHBondContact O-CD 3.43Å; Q7-R11 WeakPolarHBondContact O-CG 3.48Å; Q7-R11 PolarHBondContact O-N 3.23Å; D8-R11 WeakPolarHBondContact O-CB 3.31Å; D8-R11 PolarHBondContact O-N 3.38Å; C9-R11 VanDerWaalsContact C-N 3.25Å; C9-R11 PolarHBondContact O-N 3.46Å; R11-S14 WeakPolarHBondContact O-CB 3.24Å; R11-S14 PolarHBondContact O-N 2.98Å; R11-R15 WeakPolarHBondContact O-CG 3.34Å; R11-R15 PolarHBondContact O-N 2.99Å
12	R	45.1	Very low	46	Very low	102 Å²	102	80.5 Å²	80.5	39%	0.385	41%	0.407	S	S	.	.	H	α-helix	trans	-67.7	-48.4	177.9	-73.3	172.2	-164.3	-171.5	7	112.9	D8 C9 S14 R15 R16	D8-R12 WeakPolarHBondContact O-CB 3.46Å; D8-R12 WeakPolarHBondContact O-CG 3.48Å; D8-R12 PolarHBondContact O-N 3.26Å; C9-R12 WeakPolarHBondContact O-CA 3.31Å; C9-R12 WeakPolarHBondContact O-CB 3.4Å; C9-R12 PolarHBondContact O-N 3.1Å; R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 2.97Å; R12-R15 WeakPolarHBondContact O-CA 3.48Å; R12-R15 WeakPolarHBondContact O-CB 3.35Å; R12-R15 PolarHBondContact O-N 2.92Å; R12-R16 PolarHBondContact O-N 3.46Å
13	R	41.8	Very low	46.9	Very low	125 Å²	125	79.8 Å²	79.8	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-38.9	173.6	-73.3	-176.4	-177.1	-177.4	0.2	111.4	C9 R15 R17 D431	C9-R13 PolarHBondContact O-N 2.89Å; R13-R15 PolarHBondContact O-N 3.33Å; R13-R17 WeakPolarHBondContact O-CB 3.46Å; R13-R17 PolarHBondContact O-N 3.48Å; R13-R17 VanDerWaalsContact O-N 3.13Å; R13-D431 IonicContact CZ-OD1 3.96Å; R13-D431 IonicContact CZ-OD2 3.24Å; R13-D431 IonicContact NE-OD1 2.94Å; R13-D431 IonicContact NH2-OD1 3.65Å; R13-D431 PolarHBondContact NH2-OD1 2.93Å; R13-D431 VanDerWaalsContact NH2-OD1 3.08Å; R13-D431 IonicContact NH2-OD2 3.11Å; R13-D431 PolarHBondContact NH2-OD2 3.34Å
14	S	52.3	Low	47.2	Very low	48 Å²	48	79.2 Å²	79.2	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-44.2	171.6	-171.6	0	0	0	0	111.7	A10 R11 R12 R18	A10-S14 WeakPolarHBondContact O-CB 3.34Å; A10-S14 PolarHBondContact O-N 2.94Å; A10-S14 VanDerWaalsContact O-N 3.12Å; R11-S14 WeakPolarHBondContact O-CB 3.24Å; R11-S14 PolarHBondContact O-N 2.98Å; R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 2.97Å; S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 WeakPolarHBondContact O-CG 3.37Å; S14-R18 PolarHBondContact O-N 3.5Å; S14-R18 PolarHBondContact OG-NE 3.48Å; S14-R18 VanDerWaalsContact OG-NE 3.09Å; S14-R18 PolarHBondContact OG-NH2 3.24Å
15	R	55.7	Low	47.8	Very low	45 Å²	45	75.7 Å²	75.7	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-65.4	-44.1	178.3	-71.4	174.1	-172.9	-175.5	2	113.6	R11 R12 R13 R17 R18 R19 N470	R11-R15 WeakPolarHBondContact O-CG 3.34Å; R11-R15 PolarHBondContact O-N 2.99Å; R12-R15 WeakPolarHBondContact O-CA 3.48Å; R12-R15 WeakPolarHBondContact O-CB 3.35Å; R12-R15 PolarHBondContact O-N 2.92Å; R13-R15 PolarHBondContact O-N 3.33Å; R15-R17 PolarHBondContact O-N 3.31Å; R15-R18 WeakPolarHBondContact O-CB 3.46Å; R15-R18 PolarHBondContact O-N 3.46Å; R15-R18 VanDerWaalsContact O-N 3.16Å; R15-R19 WeakPolarHBondContact O-CG 3.38Å; R15-R19 PolarHBondContact O-N 2.97Å; R15-R19 VanDerWaalsContact O-N 3.13Å; R15-N470 PolarHBondContact NH1-ND2 3.05Å; R15-N470 VanDerWaalsContact NH1-ND2 3.14Å
16	R	46.1	Very low	49.1	Very low	114 Å²	114	75.3 Å²	75.3	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-47.4	177	-154.1	177.6	-169.5	-166.6	7.7	111	R12 R18 R19 D20 E434 E448	R12-R16 PolarHBondContact O-N 3.46Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.39Å; R16-R19 PolarHBondContact O-N 3.01Å; R16-R19 VanDerWaalsContact O-N 3.16Å; R16-D20 PolarHBondContact O-N 3.47Å; R16-E434 VanDerWaalsContact CD-OE2 3.26Å; R16-E434 WeakPolarHBondContact CD-OE2 3.49Å; R16-E434 VanDerWaalsContact CZ-CD 3.46Å; R16-E434 IonicContact CZ-OE1 3.44Å; R16-E434 IonicContact CZ-OE2 2.79Å; R16-E434 IonicContact NE-OE1 2.81Å; R16-E434 IonicContact NE-OE2 3.91Å; R16-E434 PolarHBondContact NE-OE2 3.11Å; R16-E434 IonicContact NH1-OE2 2.65Å; R16-E434 IonicContact NH2-OE1 3.23Å; R16-E434 PolarHBondContact NH2-OE1 3.32Å; R16-E434 IonicContact NH2-OE2 3.43Å; R16-E434 PolarHBondContact NH2-OE2 3.34Å; R16-E448 IonicContact NH2-OE1 3.96Å; R16-E448 PolarHBondContact NH2-OE1 3.01Å; R16-E448 IonicContact NH2-OE2 3.65Å
17	R	49.4	Very low	49.9	Very low	192 Å²	192	74.7 Å²	74.7	73%	0.725	36%	0.36	S	S	*	.	H	α-helix	trans	-62.6	-35.8	174.4	-160.8	172.2	-173.8	-171.3	4.1	112.1	R13 R15 R19 L21	R13-R17 WeakPolarHBondContact O-CB 3.46Å; R13-R17 PolarHBondContact O-N 3.48Å; R13-R17 VanDerWaalsContact O-N 3.13Å; R15-R17 PolarHBondContact O-N 3.31Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 2.96Å; R17-L21 HydrophobicContact CG-CD1 3.77Å; R17-L21 WeakPolarHBondContact O-CB 3.38Å; R17-L21 VanDerWaalsContact O-CD1 3.26Å; R17-L21 WeakPolarHBondContact O-CD1 3.36Å; R17-L21 PolarHBondContact O-N 3.39Å
18	R	54.9	Low	50.6	Low	32 Å²	32	74.7 Å²	74.7	12%	0.121	36%	0.358	C	S	.	.	H	α-helix	trans	-59	-41.6	174.3	-77.9	167.2	-152	-164.8	-1.3	111.7	S14 R15 R16 L22 R536 Q537	S14-R18 WeakPolarHBondContact O-CB 3.49Å; S14-R18 WeakPolarHBondContact O-CG 3.37Å; S14-R18 PolarHBondContact O-N 3.5Å; S14-R18 PolarHBondContact OG-NE 3.48Å; S14-R18 VanDerWaalsContact OG-NE 3.09Å; S14-R18 PolarHBondContact OG-NH2 3.24Å; R15-R18 WeakPolarHBondContact O-CB 3.46Å; R15-R18 PolarHBondContact O-N 3.46Å; R15-R18 VanDerWaalsContact O-N 3.16Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-R18 PolarHBondContact O-N 3.39Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.44Å; R18-L22 PolarHBondContact O-N 2.97Å; R18-R536 PolarHBondContact O-NH1 2.87Å; R18-R536 VanDerWaalsContact O-NH1 3.16Å; R18-Q537 VanDerWaalsContact NH1-NE2 3.12Å
19	R	56.9	Low	51.5	Low	54 Å²	54	73.8 Å²	73.8	20%	0.204	35%	0.353	C	S	.	.	H	α-helix	trans	-79.1	-39.8	-171.4	-68.5	178.9	65.8	-133.9	-4.6	114.2	R15 R16 R17 L21 L22 L23 Y121 Y437	R15-R19 WeakPolarHBondContact O-CG 3.38Å; R15-R19 PolarHBondContact O-N 2.97Å; R15-R19 VanDerWaalsContact O-N 3.13Å; R16-R19 PolarHBondContact O-N 3.01Å; R16-R19 VanDerWaalsContact O-N 3.16Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 2.96Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-L22 PolarHBondContact O-N 2.63Å; R19-L23 PolarHBondContact O-N 3.23Å; R19-Y121 PolarHBondContact NH2-OH 3.31Å; R19-Y121 VanDerWaalsContact NH2-OH 3.17Å; R19-Y437 PolarHBondContact NH1-OH 3.38Å; R19-Y437 VanDerWaalsContact NH2-CZ 3.31Å; R19-Y437 PolarHBondContact NH2-OH 2.88Å
20	D	50.9	Low	52.7	Low	79 Å²	79	74.8 Å²	74.8	42%	0.422	36%	0.363	S	S	.	.	H	α-helix	trans	-69.2	-33.8	173.6	-75.2	-36.6	0	0	0	112.4	R16 S24 K451	R16-D20 PolarHBondContact O-N 3.47Å; D20-S24 WeakPolarHBondContact O-CB 3.29Å; D20-S24 PolarHBondContact O-N 3.05Å; D20-S24 PolarHBondContact O-OG 2.95Å; D20-K451 IonicContact OD1-NZ 3.08Å; D20-K451 PolarHBondContact OD1-NZ 3.25Å
21	L	53.7	Low	53.1	Low	74 Å²	74	74 Å²	74	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-69.6	-35.1	168.7	-87	136	0	0	0	112.2	R17 R19 S24 Q25	R17-L21 HydrophobicContact CG-CD1 3.77Å; R17-L21 WeakPolarHBondContact O-CB 3.38Å; R17-L21 VanDerWaalsContact O-CD1 3.26Å; R17-L21 WeakPolarHBondContact O-CD1 3.36Å; R17-L21 PolarHBondContact O-N 3.39Å; R19-L21 VanDerWaalsContact C-N 3.34Å; L21-S24 WeakPolarHBondContact CA-OG 3.48Å; L21-S24 PolarHBondContact O-OG 3.34Å; L21-S24 VanDerWaalsContact O-OG 3.09Å; L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 VanDerWaalsContact O-CD 3.26Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 2.86Å
22	L	53.3	Low	53.8	Low	15 Å²	15	70.8 Å²	70.8	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-45.1	174.9	-78.6	166	0	0	0	112.1	R18 R19 Q25 L26 M529 L532 R536	R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 WeakPolarHBondContact O-CG 3.44Å; R18-L22 PolarHBondContact O-N 2.97Å; R19-L22 PolarHBondContact O-N 2.63Å; L22-Q25 PolarHBondContact O-N 3.07Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.33Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 3.41Å; L22-M529 HydrophobicContact CD1-CE 4.36Å; L22-M529 HydrophobicContact CD2-CE 4.17Å; L22-L532 HydrophobicContact CD2-CD2 3.81Å; L22-R536 VanDerWaalsContact CG-NH1 3.27Å
23	L	55.3	Low	54.4	Low	65 Å²	65	68.5 Å²	68.5	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-45.6	-179.9	-164.3	79	0	0	0	110.9	R19 Q25 L26 C27 Y121	R19-L23 PolarHBondContact O-N 3.23Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 2.91Å; L23-C27 WeakPolarHBondContact O-CB 3.5Å; L23-C27 PolarHBondContact O-N 3.36Å; L23-C27 PolarHBondContact O-SG 2.92Å; L23-Y121 HydrophobicContact CD1-CD2 4.36Å; L23-Y121 HydrophobicContact CD1-CE2 4.16Å
24	S	46	Very low	55.7	Low	68 Å²	68	67.4 Å²	67.4	48%	0.476	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-35.5	175.8	56.4	0	0	0	0	112.8	D20 L21 F28	D20-S24 WeakPolarHBondContact O-CB 3.29Å; D20-S24 PolarHBondContact O-N 3.05Å; D20-S24 PolarHBondContact O-OG 2.95Å; L21-S24 WeakPolarHBondContact CA-OG 3.48Å; L21-S24 PolarHBondContact O-OG 3.34Å; L21-S24 VanDerWaalsContact O-OG 3.09Å; S24-F28 WeakPolarHBondContact O-CB 3.33Å; S24-F28 PolarHBondContact O-N 3.34Å
25	Q	57.8	Low	55.9	Low	39 Å²	39	69.8 Å²	69.8	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-78.8	-30.1	177.6	-71.6	171	14.3	0	0	113.7	L21 L22 L23 F28 L29 F200	L21-Q25 WeakPolarHBondContact O-CB 3.37Å; L21-Q25 VanDerWaalsContact O-CD 3.26Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 2.86Å; L22-Q25 PolarHBondContact O-N 3.07Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 3.47Å; Q25-F28 CarbonylContact O-C 3.6Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.39Å; Q25-L29 WeakPolarHBondContact O-CB 3.5Å; Q25-L29 PolarHBondContact O-N 3.41Å; Q25-F200 HydrophobicContact CB-CD1 4.13Å; Q25-F200 HydrophobicContact CB-CE1 4.19Å; Q25-F200 HydrophobicContact CG-CD1 3.96Å; Q25-F200 HydrophobicContact CG-CE1 4.18Å; Q25-F200 VanDerWaalsContact OE1-CD1 3.31Å
26	L	61.6	Low	56.1	Low	36 Å²	36	72.8 Å²	72.8	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-71.4	-39.7	171	-77	165.5	0	0	0	110.5	L22 L23 F28 L29 A30 F120	L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.33Å; L22-L26 WeakPolarHBondContact O-CG 3.32Å; L22-L26 PolarHBondContact O-N 3.41Å; L23-L26 PolarHBondContact O-N 2.91Å; L26-F28 PolarHBondContact O-N 3.44Å; L26-L29 PolarHBondContact O-N 2.65Å; L26-A30 WeakPolarHBondContact O-CA 3.38Å; L26-A30 WeakPolarHBondContact O-CB 3.22Å; L26-A30 PolarHBondContact O-N 3.13Å; L26-F120 HydrophobicContact CD1-CD1 4.31Å; L26-F120 HydrophobicContact CD1-CE1 3.61Å; L26-F120 HydrophobicContact CD2-CD1 4.25Å; L26-F120 HydrophobicContact CD2-CE1 3.18Å; L26-F120 HydrophobicContact CD2-CZ 3.41Å; L26-F120 VanDerWaalsContact CD2-CZ 3.41Å; L26-F120 HydrophobicContact CG-CE1 4Å
27	C	57.8	Low	57.2	Low	77 Å²	77	73.1 Å²	73.1	52%	0.52	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-35.6	167	-68.8	0	0	0	0	111.3	L23 S31	L23-C27 WeakPolarHBondContact O-CB 3.5Å; L23-C27 PolarHBondContact O-N 3.36Å; L23-C27 PolarHBondContact O-SG 2.92Å; C27-S31 WeakPolarHBondContact O-CA 3.38Å; C27-S31 WeakPolarHBondContact O-CB 3.38Å; C27-S31 PolarHBondContact O-N 3.44Å; C27-S31 PolarHBondContact O-OG 2.94Å
28	F	57.2	Low	57.6	Low	120 Å²	120	66.9 Å²	66.9	53%	0.526	37%	0.367	S	S	.	.	H	α-helix	trans	-69.4	-46.8	174.8	-174.2	-100.5	0	0	0	112.5	S24 Q25 L26 S31 V32 F200	S24-F28 WeakPolarHBondContact O-CB 3.33Å; S24-F28 PolarHBondContact O-N 3.34Å; Q25-F28 CarbonylContact O-C 3.6Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.39Å; L26-F28 PolarHBondContact O-N 3.44Å; F28-S31 WeakPolarHBondContact CA-OG 3.29Å; F28-S31 PolarHBondContact O-N 2.83Å; F28-S31 PolarHBondContact O-OG 3.14Å; F28-V32 HydrophobicContact CD1-CG2 4.23Å; F28-V32 HydrophobicContact CE1-CG2 3.89Å; F28-V32 HydrophobicContact CE2-CG2 4.35Å; F28-V32 HydrophobicContact CZ-CG2 3.96Å; F28-V32 WeakPolarHBondContact O-CB 3.48Å; F28-V32 WeakPolarHBondContact O-CG2 3.19Å; F28-V32 PolarHBondContact O-N 3.2Å; F28-F200 HydrophobicContact CD1-CE1 4.47Å; F28-F200 HydrophobicContact CD1-CZ 4.45Å
29	L	58.6	Low	57.6	Low	54 Å²	54	70 Å²	70	28%	0.283	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-42	176.8	-83.7	175	0	0	0	112.3	Q25 L26 V32 A33 F200	Q25-L29 WeakPolarHBondContact O-CB 3.5Å; Q25-L29 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 2.65Å; L29-V32 PolarHBondContact O-N 3.11Å; L29-A33 VanDerWaalsContact O-CB 3.26Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.01Å; L29-F200 HydrophobicContact CD1-CD2 4.15Å; L29-F200 HydrophobicContact CD1-CE2 3.56Å; L29-F200 HydrophobicContact CD1-CZ 3.85Å; L29-F200 HydrophobicContact CD2-CE2 3.61Å; L29-F200 HydrophobicContact CD2-CZ 3.62Å; L29-F200 HydrophobicContact CG-CE1 4.45Å; L29-F200 HydrophobicContact CG-CE2 3.71Å; L29-F200 HydrophobicContact CG-CZ 3.54Å
30	A	60.4	Low	57.8	Low	45 Å²	45	70 Å²	70	37%	0.372	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-39.7	173.9	0	0	0	0	0	110.7	L26 A33 L34	L26-A30 WeakPolarHBondContact O-CA 3.38Å; L26-A30 WeakPolarHBondContact O-CB 3.22Å; L26-A30 PolarHBondContact O-N 3.13Å; A30-A33 PolarHBondContact O-N 3.36Å; A30-L34 WeakPolarHBondContact O-CB 3.49Å; A30-L34 WeakPolarHBondContact O-CD1 3.37Å; A30-L34 WeakPolarHBondContact O-CG 3.17Å; A30-L34 PolarHBondContact O-N 2.95Å
31	S	53.6	Low	58.6	Low	50 Å²	50	69.1 Å²	69.1	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-68.4	-35.7	174.5	61	0	0	0	0	112.3	C27 F28 L35	C27-S31 WeakPolarHBondContact O-CA 3.38Å; C27-S31 WeakPolarHBondContact O-CB 3.38Å; C27-S31 PolarHBondContact O-N 3.44Å; C27-S31 PolarHBondContact O-OG 2.94Å; F28-S31 WeakPolarHBondContact CA-OG 3.29Å; F28-S31 PolarHBondContact O-N 2.83Å; F28-S31 PolarHBondContact O-OG 3.14Å; S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 PolarHBondContact O-N 3.43Å
32	V	60.6	Low	58.6	Low	52 Å²	52	70.2 Å²	70.2	32%	0.315	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-42.6	172.3	170	0	0	0	0	111	F28 L29 L35 L36	F28-V32 HydrophobicContact CD1-CG2 4.23Å; F28-V32 HydrophobicContact CE1-CG2 3.89Å; F28-V32 HydrophobicContact CE2-CG2 4.35Å; F28-V32 HydrophobicContact CZ-CG2 3.96Å; F28-V32 WeakPolarHBondContact O-CB 3.48Å; F28-V32 WeakPolarHBondContact O-CG2 3.19Å; F28-V32 PolarHBondContact O-N 3.2Å; L29-V32 PolarHBondContact O-N 3.11Å; V32-L35 CarbonylContact O-C 3.6Å; V32-L35 WeakPolarHBondContact O-CB 3.45Å; V32-L35 PolarHBondContact O-N 2.91Å; V32-L36 HydrophobicContact CG1-CD1 4.04Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 2.94Å; V32-L36 PolarHBondContact O-N 2.92Å
33	A	59.4	Low	58.8	Low	55 Å²	55	77.9 Å²	77.9	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-42.6	174.9	0	0	0	0	0	110.9	L29 A30 L35 L36 W37	L29-A33 VanDerWaalsContact O-CB 3.26Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 3.01Å; A30-A33 PolarHBondContact O-N 3.36Å; A33-L35 VanDerWaalsContact C-N 3.32Å; A33-L36 PolarHBondContact O-N 3.41Å; A33-W37 WeakPolarHBondContact O-CB 3.16Å; A33-W37 PolarHBondContact O-N 3.01Å
34	L	69	Low	58.9	Low	101 Å²	101	81.1 Å²	81.1	53%	0.529	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-32.5	171.9	-72.5	168	0	0	0	112	A30 W37 S38	A30-L34 WeakPolarHBondContact O-CB 3.49Å; A30-L34 WeakPolarHBondContact O-CD1 3.37Å; A30-L34 WeakPolarHBondContact O-CG 3.17Å; A30-L34 PolarHBondContact O-N 2.95Å; L34-W37 HydrophobicContact CD2-CE3 4.18Å; L34-S38 WeakPolarHBondContact O-CB 3.48Å; L34-S38 PolarHBondContact O-N 3.4Å; L34-S38 PolarHBondContact O-OG 3.49Å
35	L	56.2	Low	59.4	Low	98 Å²	98	83.3 Å²	83.3	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-69	-44.8	173	-117.1	143.6	0	0	0	110.7	S31 V32 A33 W37 S38 L39	S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 PolarHBondContact O-N 3.43Å; V32-L35 CarbonylContact O-C 3.6Å; V32-L35 WeakPolarHBondContact O-CB 3.45Å; V32-L35 PolarHBondContact O-N 2.91Å; A33-L35 VanDerWaalsContact C-N 3.32Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3Å; L35-S38 VanDerWaalsContact CA-OG 3.32Å; L35-S38 WeakPolarHBondContact CA-OG 3.41Å; L35-S38 PolarHBondContact O-N 2.91Å; L35-S38 PolarHBondContact O-OG 3.43Å; L35-L39 HydrophobicContact CD2-CD1 4.05Å; L35-L39 HydrophobicContact CD2-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.09Å
36	L	59.3	Low	58.9	Low	108 Å²	108	88.3 Å²	88.3	57%	0.565	47%	0.465	S	S	*	.	H	α-helix	trans	-65.4	-37.8	175.3	-69.9	172.1	0	0	0	110.9	V32 A33 L39 S40	V32-L36 HydrophobicContact CG1-CD1 4.04Å; V32-L36 HydrophobicContact CG1-CG 4.37Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 2.94Å; V32-L36 PolarHBondContact O-N 2.92Å; A33-L36 PolarHBondContact O-N 3.41Å; L36-L39 PolarHBondContact O-N 2.95Å; L36-S40 WeakPolarHBondContact O-CB 3.43Å; L36-S40 PolarHBondContact O-N 3.08Å; L36-S40 PolarHBondContact O-OG 3.22Å
37	W	70.2	Confident	58.2	Low	122 Å²	122	92.2 Å²	92.2	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-72.4	-37.3	177.7	-160.9	52.6	0	0	0	112.4	A33 L34 L35 S40 S41 L507	A33-W37 WeakPolarHBondContact O-CB 3.16Å; A33-W37 PolarHBondContact O-N 3.01Å; L34-W37 HydrophobicContact CD2-CE3 4.18Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3Å; W37-S40 WeakPolarHBondContact CA-OG 3.48Å; W37-S40 PolarHBondContact O-OG 3.43Å; W37-S41 WeakPolarHBondContact O-CB 3.16Å; W37-S41 PolarHBondContact O-N 3.43Å; W37-L507 HydrophobicContact CH2-CD1 3.79Å; W37-L507 HydrophobicContact CH2-CD2 3.93Å; W37-L507 HydrophobicContact CZ2-CD1 3.52Å; W37-L507 HydrophobicContact CZ2-CD2 4.07Å; W37-L507 HydrophobicContact CZ2-CG 4.42Å
38	S	56.9	Low	57.6	Low	60 Å²	60	94.2 Å²	94.2	42%	0.42	49%	0.487	S	S	.	.	H	α-helix	trans	-72.5	-34.3	171.3	57.5	0	0	0	0	111.9	L34 L35 S41 L42	L34-S38 WeakPolarHBondContact O-CB 3.48Å; L34-S38 PolarHBondContact O-N 3.4Å; L34-S38 PolarHBondContact O-OG 3.49Å; L35-S38 VanDerWaalsContact CA-OG 3.32Å; L35-S38 WeakPolarHBondContact CA-OG 3.41Å; L35-S38 PolarHBondContact O-N 2.91Å; L35-S38 PolarHBondContact O-OG 3.43Å; S38-S41 PolarHBondContact O-N 2.98Å; S38-L42 WeakPolarHBondContact O-CB 3.24Å; S38-L42 PolarHBondContact O-N 3.49Å
39	L	54.5	Low	57.1	Low	97 Å²	97	93.3 Å²	93.3	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-69.1	-37.1	173.1	-74.8	167.2	0	0	0	111.8	L35 L36 R43	L35-L39 HydrophobicContact CD2-CD1 4.05Å; L35-L39 HydrophobicContact CD2-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CD1 3.49Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.09Å; L36-L39 PolarHBondContact O-N 2.95Å; L39-R43 VanDerWaalsContact O-CB 3.31Å; L39-R43 WeakPolarHBondContact O-CB 3.45Å; L39-R43 PolarHBondContact O-N 3.01Å
40	S	60.8	Low	56.3	Low	56 Å²	56	95.6 Å²	95.6	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-69.9	-42.1	172.8	63.6	0	0	0	0	111.2	L36 W37 L42 R43 E44	L36-S40 WeakPolarHBondContact O-CB 3.43Å; L36-S40 PolarHBondContact O-N 3.08Å; L36-S40 PolarHBondContact O-OG 3.22Å; W37-S40 WeakPolarHBondContact CA-OG 3.48Å; W37-S40 PolarHBondContact O-OG 3.43Å; S40-L42 PolarHBondContact O-N 3.35Å; S40-R43 WeakPolarHBondContact O-CB 3.07Å; S40-R43 PolarHBondContact O-N 3.12Å; S40-R43 VanDerWaalsContact O-N 3.16Å; S40-E44 PolarHBondContact O-N 3.44Å
41	S	67.4	Low	55.4	Low	60 Å²	60	100.2 Å²	100.2	42%	0.42	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-41.5	174.4	176.6	0	0	0	0	112.1	W37 S38 R43 E44 Q45	W37-S41 WeakPolarHBondContact O-CB 3.16Å; W37-S41 PolarHBondContact O-N 3.43Å; S38-S41 PolarHBondContact O-N 2.98Å; S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 3.37Å; S41-E44 PolarHBondContact O-N 2.89Å; S41-Q45 WeakPolarHBondContact O-CB 3.37Å; S41-Q45 PolarHBondContact O-N 3.46Å
42	L	54.6	Low	54.9	Low	96 Å²	96	103.7 Å²	103.7	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-69.4	-27.2	175.8	-160.2	75.6	0	0	0	112.1	S38 S40 K46	S38-L42 WeakPolarHBondContact O-CB 3.24Å; S38-L42 PolarHBondContact O-N 3.49Å; S40-L42 PolarHBondContact O-N 3.35Å; L42-K46 PolarHBondContact O-N 3.15Å; L42-K46 VanDerWaalsContact O-N 3.17Å
43	R	57	Low	53.9	Low	177 Å²	177	108.1 Å²	108.1	67%	0.668	55%	0.551	S	S	*	*	H	α-helix	trans	-74.3	-45.1	172.8	-178.2	125.4	-177.4	-162.2	-2.5	111.4	L39 S40 S41 Q45 K46 E47	L39-R43 VanDerWaalsContact O-CB 3.31Å; L39-R43 WeakPolarHBondContact O-CB 3.45Å; L39-R43 PolarHBondContact O-N 3.01Å; S40-R43 WeakPolarHBondContact O-CB 3.07Å; S40-R43 PolarHBondContact O-N 3.12Å; S40-R43 VanDerWaalsContact O-N 3.16Å; S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 3.37Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.24Å; R43-K46 PolarHBondContact O-N 3.39Å; R43-K46 VanDerWaalsContact O-N 3.16Å; R43-E47 PolarHBondContact O-N 3.2Å
44	E	57	Low	53	Low	132 Å²	132	111.3 Å²	111.3	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-59.2	-40.5	172.8	-78.5	-176.7	173.4	0	0	111.1	S40 S41 K46 E47 L48	S40-E44 PolarHBondContact O-N 3.44Å; S41-E44 PolarHBondContact O-N 2.89Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.22Å; E44-E47 PolarHBondContact O-N 3.22Å; E44-L48 WeakPolarHBondContact O-CB 3.4Å; E44-L48 PolarHBondContact O-N 2.94Å
45	Q	56.5	Low	51.3	Low	114 Å²	114	108.3 Å²	108.3	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-34	177.1	-159.6	166.9	-10.2	0	0	112.4	S41 R43 L48 D49	S41-Q45 WeakPolarHBondContact O-CB 3.37Å; S41-Q45 PolarHBondContact O-N 3.46Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.24Å; Q45-L48 PolarHBondContact O-N 3.06Å; Q45-D49 PolarHBondContact O-N 3.1Å
46	K	48.4	Very low	50.3	Low	145 Å²	145	111.7 Å²	111.7	63%	0.63	57%	0.566	S	S	*	*	H	α-helix	trans	-73.4	-33.2	171.8	-83.3	-177	179.1	176.6	0	113.7	L42 R43 E44 L48 L50	L42-K46 PolarHBondContact O-N 3.15Å; L42-K46 VanDerWaalsContact O-N 3.17Å; R43-K46 PolarHBondContact O-N 3.39Å; R43-K46 VanDerWaalsContact O-N 3.16Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.22Å; K46-L48 VanDerWaalsContact C-N 3.32Å; K46-L50 VanDerWaalsContact O-CB 3.23Å; K46-L50 WeakPolarHBondContact O-CB 3.37Å; K46-L50 PolarHBondContact O-N 2.99Å
47	E	46.3	Very low	49.1	Very low	117 Å²	117	114.1 Å²	114.1	55%	0.547	58%	0.58	S	S	.	*	H	α-helix	trans	-70.3	-32.7	171.3	-78.1	-167.5	174	0	0	111.3	R43 E44 L50 M51	R43-E47 PolarHBondContact O-N 3.2Å; E44-E47 PolarHBondContact O-N 3.22Å; E47-L50 PolarHBondContact O-N 3.48Å; E47-M51 VanDerWaalsContact O-CB 3.32Å; E47-M51 WeakPolarHBondContact O-CB 3.27Å; E47-M51 PolarHBondContact O-N 2.99Å
48	L	44.4	Very low	47.2	Very low	120 Å²	120	119 Å²	119	63%	0.628	60%	0.598	S	S	*	*	H	α-helix	trans	-66.3	-46	171.2	-146.8	83	0	0	0	111.2	E44 Q45 K46 L50 M51 D52	E44-L48 WeakPolarHBondContact O-CB 3.4Å; E44-L48 PolarHBondContact O-N 2.94Å; Q45-L48 PolarHBondContact O-N 3.06Å; K46-L48 VanDerWaalsContact C-N 3.32Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.37Å; L48-M51 PolarHBondContact O-N 3.25Å; L48-D52 WeakPolarHBondContact O-CB 3.47Å; L48-D52 PolarHBondContact O-N 3.42Å
49	D	47.1	Very low	45.9	Very low	100 Å²	100	125.3 Å²	125.3	54%	0.535	62%	0.618	S	S	.	*	H	α-helix	trans	-64.6	-36.9	175.3	-77	-22.5	0	0	0	112	Q45 D52 L53	Q45-D49 PolarHBondContact O-N 3.1Å; D49-D52 PolarHBondContact O-N 3.4Å; D49-L53 WeakPolarHBondContact O-CB 3.19Å; D49-L53 PolarHBondContact O-N 3.5Å
50	L	43	Very low	44.4	Very low	102 Å²	102	131.8 Å²	131.8	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-71.3	-36.9	175.5	-173.7	68.7	0	0	0	111.5	K46 E47 L48 L53 I54	K46-L50 VanDerWaalsContact O-CB 3.23Å; K46-L50 WeakPolarHBondContact O-CB 3.37Å; K46-L50 PolarHBondContact O-N 2.99Å; E47-L50 PolarHBondContact O-N 3.48Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.37Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-I54 HydrophobicContact CD1-CD1 4.48Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CD1 3.46Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.19Å; L50-I54 PolarHBondContact O-N 2.95Å
51	M	41.4	Very low	42.7	Very low	142 Å²	142	137.6 Å²	137.6	70%	0.7	66%	0.659	S	S	*	*	H	α-helix	trans	-68.2	-34.8	171.2	-90.7	-156	80	0	0	112.2	E47 L48 I54 G55	E47-M51 VanDerWaalsContact O-CB 3.32Å; E47-M51 WeakPolarHBondContact O-CB 3.27Å; E47-M51 PolarHBondContact O-N 2.99Å; L48-M51 PolarHBondContact O-N 3.25Å; M51-I54 CarbonylContact O-C 3.49Å; M51-I54 PolarHBondContact O-N 3.44Å; M51-G55 WeakPolarHBondContact O-CA 3.25Å; M51-G55 PolarHBondContact O-N 3.04Å
52	D	41.9	Very low	41	Very low	124 Å²	124	142 Å²	142	66%	0.663	68%	0.683	S	S	*	*	H	α-helix	trans	-68.6	-36.9	174.7	-111.9	2.8	0	0	0	111	L48 D49 G55	L48-D52 WeakPolarHBondContact O-CB 3.47Å; L48-D52 PolarHBondContact O-N 3.42Å; D49-D52 PolarHBondContact O-N 3.4Å; D52-G55 PolarHBondContact O-N 3.38Å
53	L	40.7	Very low	39.6	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	69%	0.691	S	S	*	*	H	α-helix	trans	-68.4	-33.6	174.7	-148	86.4	0	0	0	112.7	D49 L50 G55	D49-L53 WeakPolarHBondContact O-CB 3.19Å; D49-L53 PolarHBondContact O-N 3.5Å; L50-L53 PolarHBondContact O-N 3.02Å; L53-G55 VanDerWaalsContact C-N 3.34Å
54	I	39.2	Very low	38.1	Very low	123 Å²	123	143.9 Å²	143.9	63%	0.631	70%	0.703	S	S	*	*	H	α-helix	trans	-82.1	-18.1	175.1	-65.1	166.8	0	0	0	111	L50 M51	L50-I54 HydrophobicContact CD1-CD1 4.48Å; L50-I54 HydrophobicContact CG-CD1 4.12Å; L50-I54 WeakPolarHBondContact O-CD1 3.46Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.19Å; L50-I54 PolarHBondContact O-N 2.95Å; M51-I54 CarbonylContact O-C 3.49Å; M51-I54 PolarHBondContact O-N 3.44Å
55	G	33.3	Very low	36.8	Very low	38 Å²	38	146.3 Å²	146.3	39%	0.392	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-82.2	-9.7	-171.4	0	0	0	0	0	115.7	M51 D52 L53 D57 R58	M51-G55 WeakPolarHBondContact O-CA 3.25Å; M51-G55 PolarHBondContact O-N 3.04Å; D52-G55 PolarHBondContact O-N 3.38Å; L53-G55 VanDerWaalsContact C-N 3.34Å; G55-D57 PolarHBondContact O-N 3.27Å; G55-D57 VanDerWaalsContact O-N 3.11Å; G55-R58 PolarHBondContact O-N 3.03Å
56	E	35.6	Very low	35.3	Very low	168 Å²	168	149.3 Å²	149.3	79%	0.785	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-66	-16.5	-176.8	-130.1	-175.9	153.5	0	0	113.7
57	D	34.7	Very low	34.6	Very low	160 Å²	160	151 Å²	151	86%	0.856	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-95.6	2.5	179.7	-107.1	-22.6	0	0	0	115.5	G55	G55-D57 PolarHBondContact O-N 3.27Å; G55-D57 VanDerWaalsContact O-N 3.11Å
58	R	29.8	Very low	33.6	Very low	224 Å²	224	153.6 Å²	153.6	85%	0.845	76%	0.755	S	S	*	*			trans	-122.4	42.2	178.9	-88.7	-167	-96.9	-136.2	-2.6	115.1	G55 W60	G55-R58 PolarHBondContact O-N 3.03Å; R58-W60 PolarHBondContact O-N 3.48Å
59	K	29.5	Very low	32.9	Very low	192 Å²	192	153 Å²	153	84%	0.835	76%	0.756	S	S	*	*			trans	-75.2	24.7	173.1	-130.6	172.1	-167.1	163.8	0	115.6
60	W	23.4	Very low	32.1	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.883	77%	0.767	S	S	*	*			trans	-121.9	122.9	175.2	-76.1	93.3	0	0	0	111.5	R58	R58-W60 PolarHBondContact O-N 3.48Å
61	M	26.2	Very low	31.5	Very low	179 Å²	179	157.8 Å²	157.8	88%	0.882	78%	0.782	S	S	*	*	S	Bend	trans	84	88.1	179.1	-53.7	-156.2	-65.9	0	0	115.4
62	V	30.3	Very low	30.9	Very low	153 Å²	153	157 Å²	157	93%	0.927	79%	0.786	S	S	*	*				177.4	92.7	114.6	162.1	0	0	0	0	105.5
63	G	26.2	Very low	30.6	Very low	64 Å²	64	159.2 Å²	159.2	66%	0.66	80%	0.797	S	S	*	*			trans	-143	128.4	173.9	0	0	0	0	0	108.4
64	R	25.5	Very low	30	Very low	247 Å²	247	158.2 Å²	158.2	93%	0.932	80%	0.796	S	S	*	*			trans	81.5	134.8	177.2	-46.4	178	-176.7	-176.9	0.1	113.1
65	K	28.6	Very low	29.8	Very low	184 Å²	184	158.2 Å²	158.2	80%	0.8	81%	0.808	S	S	*	*			cis	-151.4	140.4	33.6	-73.5	174	170.4	174.3	0	111.6
66	L	26.4	Very low	29.7	Very low	176 Å²	176	164.9 Å²	164.9	92%	0.921	83%	0.829	S	S	*	*			trans	-59.2	121.8	152.8	-146	87.6	0	0	0	108.4
67	M	32.7	Very low	29.5	Very low	181 Å²	181	164.2 Å²	164.2	89%	0.892	83%	0.83	S	S	*	*			trans	-118.3	114.8	167.3	-87.4	-127.4	-88	0	0	110
68	Q	26.7	Very low	29.6	Very low	172 Å²	172	161.8 Å²	161.8	80%	0.804	83%	0.832	S	S	*	*			trans	-91.1	143.4	165.9	-142.6	-171.6	-21	0	0	107.8
69	V	29.1	Very low	29.8	Very low	106 Å²	106	154.3 Å²	154.3	64%	0.642	83%	0.825	S	S	*	*			trans	78.9	114.1	154.5	-169.3	0	0	0	0	119.1
70	N	30.9	Very low	30	Very low	146 Å²	146	152 Å²	152	78%	0.781	82%	0.821	S	S	*	*				-167	112.9	109.6	-102.7	-15.8	0	0	0	111.5	T72	N70-T72 PolarHBondContact O-N 2.87Å
71	D	30.5	Very low	30.7	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	82%	0.824	S	S	*	*			trans	-66	106.5	161.4	-71.6	-49.6	0	0	0	109.3
72	T	28.9	Very low	31.5	Very low	127 Å²	127	145.9 Å²	145.9	78%	0.779	81%	0.809	S	S	*	*			trans	177.5	78.4	150.6	40.9	0	0	0	0	110.3	N70	N70-T72 PolarHBondContact O-N 2.87Å
73	L	33.6	Very low	32.4	Very low	170 Å²	170	143.1 Å²	143.1	89%	0.89	80%	0.797	S	S	*	*			trans	-140.4	100.6	154.5	-93.8	137	0	0	0	108.2
74	T	29	Very low	33.7	Very low	122 Å²	122	146 Å²	146	75%	0.748	79%	0.791	S	S	*	*			trans	-57.9	126.1	170.2	43.3	0	0	0	0	110.7	E76	T74-E76 PolarHBondContact O-N 3.23Å
75	S	35.5	Very low	35.9	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	78%	0.777	S	S	*	*	S	Bend	trans	25.4	64.2	144.6	-43.9	0	0	0	0	117.7
76	E	31.1	Very low	37.9	Very low	178 Å²	178	133 Å²	133	83%	0.832	75%	0.751	S	S	*	*			trans	-152.4	15	164.2	-116.4	170.6	177.6	0	0	115.1	T74 A78	T74-E76 PolarHBondContact O-N 3.23Å; E76-A78 PolarHBondContact O-N 2.96Å
77	D	30.7	Very low	40	Very low	153 Å²	153	126.9 Å²	126.9	82%	0.818	72%	0.721	S	S	*	*			trans	-98	64.2	167.4	-77.2	-38.1	0	0	0	111.2
78	A	37.6	Very low	41.8	Very low	109 Å²	109	124 Å²	124	90%	0.901	71%	0.706	S	S	*	*	S	Bend	trans	-107.2	13.8	162	0	0	0	0	0	112.1	E76	E76-A78 PolarHBondContact O-N 2.96Å
79	G	33.4	Very low	43.9	Very low	67 Å²	67	116.3 Å²	116.3	69%	0.691	67%	0.671	S	S	*	*	S	Bend	trans	-127.9	-5.1	-167.2	0	0	0	0	0	117.5
80	L	34.3	Very low	45.9	Very low	145 Å²	145	111.4 Å²	111.4	76%	0.759	64%	0.642	S	S	*	*			trans	-126.5	84.8	177	-146.9	76.8	0	0	0	109.3	S82	L80-S82 PolarHBondContact O-N 2.89Å
81	Q	36.8	Very low	48	Very low	201 Å²	201	105.4 Å²	105.4	94%	0.939	61%	0.609	S	S	*	*			trans	-58.7	85	144	-90.9	175.7	-24	0	0	105.3	S83	Q81-S83 PolarHBondContact O-N 3Å
82	S	44.5	Very low	49.9	Very low	82 Å²	82	104.2 Å²	104.2	57%	0.573	60%	0.598	S	S	*	*			trans	-46.1	119.5	162.6	176.5	0	0	0	0	104.8	L80 K84	L80-S82 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact O-N 3.35Å
83	S	48.9	Very low	51.9	Low	95 Å²	95	101 Å²	101	66%	0.664	57%	0.574	S	S	*	*			trans	-46.1	101.1	162.2	161.8	0	0	0	0	105.8	Q81 N85	Q81-S83 PolarHBondContact O-N 3Å; S83-N85 PolarHBondContact O-N 3.39Å; S83-N85 VanDerWaalsContact O-N 3.15Å
84	K	53.9	Low	54.1	Low	124 Å²	124	93.8 Å²	93.8	54%	0.539	54%	0.536	S	S	.	.			trans	-67	116.6	173.8	-71.9	-175.8	-175.1	175	0	103.3	S82 C86 E88	S82-K84 PolarHBondContact O-N 3.35Å; K84-C86 PolarHBondContact O-N 3.12Å; K84-E88 IonicContact NZ-OE1 3.19Å; K84-E88 PolarHBondContact NZ-OE1 3.33Å
85	N	70.9	Confident	56.6	Low	119 Å²	119	91.1 Å²	91.1	64%	0.636	52%	0.521	S	S	*	.	S	Bend	trans	-72.5	33.2	171.4	-85.4	-18.9	0	0	0	111	S83 L640	S83-N85 PolarHBondContact O-N 3.39Å; S83-N85 VanDerWaalsContact O-N 3.15Å; N85-L640 HydrophobicContact CB-CD2 4.05Å; N85-L640 VanDerWaalsContact O-CD2 3.31Å; N85-L640 WeakPolarHBondContact O-CD2 3.46Å
86	C	70.9	Confident	58.7	Low	38 Å²	38	96.6 Å²	96.6	26%	0.257	52%	0.522	S	S	.	.	S	Bend	trans	-148.7	150.4	-175.6	65.9	0	0	0	0	111.3	K84 P641 C643	K84-C86 PolarHBondContact O-N 3.12Å; C86-P641 WeakPolarHBondContact CA-O 3.09Å; C86-P641 VanDerWaalsContact CB-O 3.26Å; C86-P641 WeakPolarHBondContact CB-O 3.33Å; C86-C643 HydrophobicContact CB-CB 3.87Å; C86-C643 WeakPolarHBondContact CB-SG 3.47Å; C86-C643 PolarHBondContact O-SG 2.99Å; C86-C643 WeakPolarHBondContact SG-CA 3.46Å; C86-C643 WeakPolarHBondContact SG-CB 3.35Å; C86-C643 CovalentContact SG-SG 2.03Å; C86-C643 PolarHBondContact SG-SG 3.31Å
87	T	69.8	Low	61.2	Low	48 Å²	48	89.6 Å²	89.6	29%	0.294	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-90.3	135.9	178.9	-49.7	0	0	0	0	109.9	P641 C643	T87-P641 PolarHBondContact N-O 2.64Å; T87-P641 VanDerWaalsContact N-O 3.12Å; T87-C643 PolarHBondContact O-N 3.4Å; T87-C643 PolarHBondContact O-SG 3.31Å
88	E	71.4	Confident	63.7	Low	120 Å²	120	89.9 Å²	89.9	56%	0.561	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-72.7	142.1	176.9	-66.5	-166.7	160.6	0	0	111.3	K84 A90	K84-E88 IonicContact NZ-OE1 3.19Å; K84-E88 PolarHBondContact NZ-OE1 3.33Å; E88-A90 PolarHBondContact O-N 2.78Å
89	P	70.4	Confident	66	Low	12 Å²	12	88 Å²	88	8%	0.078	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-57.1	129.2	-179.9	-28.4	35.7	0	0	0	114.7	L91 H92 Y505 D511	P89-L91 HydrophobicContact CB-CB 4.45Å; P89-L91 PolarHBondContact O-N 2.95Å; P89-L91 VanDerWaalsContact O-N 3.08Å; P89-H92 PolarHBondContact O-N 3.49Å; P89-H92 VanDerWaalsContact O-N 3.09Å; P89-Y505 HydrophobicContact CB-CD2 3.83Å; P89-Y505 HydrophobicContact CB-CE2 3.6Å; P89-Y505 HydrophobicContact CG-CD2 4.36Å; P89-Y505 HydrophobicContact CG-CE2 3.67Å; P89-D511 WeakPolarHBondContact CA-OD2 3.32Å
90	A	71.2	Confident	68.5	Low	3 Å²	3	87.4 Å²	87.4	3%	0.025	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-60	-20.5	174.4	0	0	0	0	0	113	E88 H92 E93 T501 D511	E88-A90 PolarHBondContact O-N 2.78Å; A90-H92 PolarHBondContact O-N 3.22Å; A90-E93 VanDerWaalsContact O-CB 3.29Å; A90-E93 WeakPolarHBondContact O-CB 3.41Å; A90-E93 WeakPolarHBondContact O-CG 3.45Å; A90-E93 PolarHBondContact O-N 3.45Å; A90-E93 VanDerWaalsContact O-N 3.08Å; A90-T501 HydrophobicContact CB-CG2 4.23Å; A90-D511 HydrophobicContact CB-CB 4.22Å; A90-D511 VanDerWaalsContact N-CG 3.33Å; A90-D511 PolarHBondContact N-OD1 3.26Å; A90-D511 PolarHBondContact N-OD2 3Å
91	L	76	Confident	70.7	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.099	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-55.1	-31.5	173.5	-179.1	64.6	0	0	0	112.9	P89 E93 F94 T501 I502 Y505	P89-L91 HydrophobicContact CB-CB 4.45Å; P89-L91 PolarHBondContact O-N 2.95Å; P89-L91 VanDerWaalsContact O-N 3.08Å; L91-E93 PolarHBondContact O-N 2.91Å; L91-F94 PolarHBondContact O-N 3.24Å; L91-T501 HydrophobicContact CB-CG2 4.48Å; L91-I502 HydrophobicContact CD1-CB 4.26Å; L91-I502 HydrophobicContact CD1-CG1 3.44Å; L91-I502 VanDerWaalsContact CD1-CG1 3.44Å; L91-Y505 HydrophobicContact CB-CD2 4.26Å; L91-Y505 HydrophobicContact CB-CG 4.31Å; L91-Y505 HydrophobicContact CD2-CD1 3.81Å; L91-Y505 HydrophobicContact CD2-CD2 4.33Å; L91-Y505 HydrophobicContact CD2-CE1 4.25Å; L91-Y505 HydrophobicContact CD2-CG 3.86Å
92	H	69	Low	73	Confident	133 Å²	133	78.1 Å²	78.1	62%	0.616	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-72	-12.4	-179.7	-70.1	-57.9	0	0	0	114.1	P89 A90 F94	P89-H92 PolarHBondContact O-N 3.49Å; P89-H92 VanDerWaalsContact O-N 3.09Å; A90-H92 PolarHBondContact O-N 3.22Å; H92-F94 VanDerWaalsContact C-N 3.3Å
93	E	70.9	Confident	75	Confident	58 Å²	58	77.4 Å²	77.4	27%	0.271	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-74.3	-25.6	176.1	-60.1	169.9	-158.4	0	0	112.1	A90 L91 T173	A90-E93 VanDerWaalsContact O-CB 3.29Å; A90-E93 WeakPolarHBondContact O-CB 3.41Å; A90-E93 WeakPolarHBondContact O-CG 3.45Å; A90-E93 PolarHBondContact O-N 3.45Å; A90-E93 VanDerWaalsContact O-N 3.08Å; L91-E93 PolarHBondContact O-N 2.91Å; E93-T173 HydrophobicContact CG-CG2 3.92Å; E93-T173 WeakPolarHBondContact OE1-CG2 3.48Å
94	F	80.3	Confident	76.9	Confident	20 Å²	20	73.4 Å²	73.4	9%	0.088	36%	0.362	C	S	.	.	S	Bend	trans	-96	159.7	179.7	-62.8	-85.9	0	0	0	111.2	L91 H92 Y494 V497 W498 T501	L91-F94 PolarHBondContact O-N 3.24Å; H92-F94 VanDerWaalsContact C-N 3.3Å; F94-Y494 AromaticContact CD1-CE2 3.76Å; F94-Y494 HydrophobicContact CD1-CE2 3.76Å; F94-Y494 AromaticContact CD1-CZ 3.84Å; F94-Y494 HydrophobicContact CE1-CD2 4.06Å; F94-Y494 AromaticContact CE1-CE2 3.58Å; F94-Y494 HydrophobicContact CE1-CE2 3.58Å; F94-V497 HydrophobicContact CE1-CG1 4.16Å; F94-V497 HydrophobicContact CZ-CG1 3.67Å; F94-W498 HydrophobicContact CB-CD2 4.27Å; F94-W498 HydrophobicContact CB-CG 3.8Å; F94-W498 VanDerWaalsContact CB-NE1 3.3Å; F94-W498 HydrophobicContact CD1-CB 3.5Å; F94-W498 AromaticContact CD1-CD1 3.76Å; F94-W498 HydrophobicContact CD1-CD2 4.46Å; F94-W498 AromaticContact CD1-CG 3.63Å; F94-W498 HydrophobicContact CD1-CG 3.63Å; F94-W498 HydrophobicContact CE1-CB 3.86Å; F94-W498 HydrophobicContact CE1-CG 4.46Å; F94-W498 HydrophobicContact CG-CB 4.07Å; F94-W498 AromaticContact CG-CD1 3.42Å; F94-W498 VanDerWaalsContact CG-CD1 3.42Å; F94-W498 AromaticContact CG-CG 3.81Å; F94-W498 HydrophobicContact CG-CG 3.81Å; F94-T501 HydrophobicContact CD2-CG2 4.22Å; F94-T501 HydrophobicContact CE2-CG2 4.13Å
95	P	81.3	Confident	78.3	Confident	66 Å²	66	76 Å²	76	43%	0.429	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-51.3	145.4	172.7	-24.6	33.3	0	0	0	111.4	D97 Y494 W498	P95-D97 PolarHBondContact O-N 3.43Å; P95-Y494 VanDerWaalsContact CD-OH 3.31Å; P95-Y494 WeakPolarHBondContact CD-OH 3.38Å; P95-W498 HydrophobicContact CB-CH2 3.87Å; P95-W498 HydrophobicContact CB-CZ2 3.79Å; P95-W498 HydrophobicContact CG-CH2 4.18Å; P95-W498 HydrophobicContact CG-CZ2 4.27Å; P95-W498 HydrophobicContact CG-CZ3 4.5Å; P95-W498 WeakPolarHBondContact O-CZ2 3.24Å; P95-W498 PolarHBondContact O-NE1 3.13Å
96	R	79.2	Confident	79.1	Confident	238 Å²	238	77 Å²	77	90%	0.898	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-59.3	129.8	-179.4	-68.5	-176.3	179.6	173.9	-1	110
97	D	83.8	Confident	79.9	Confident	32 Å²	32	76.8 Å²	76.8	17%	0.171	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-62.6	149.3	174.1	-171	16	0	0	0	110.5	P95 F99 R104 H112 I502	P95-D97 PolarHBondContact O-N 3.43Å; D97-F99 PolarHBondContact OD1-N 3.35Å; D97-R104 VanDerWaalsContact OD2-CD 3.28Å; D97-R104 WeakPolarHBondContact OD2-CD 3.28Å; D97-R104 IonicContact OD2-CZ 3.19Å; D97-R104 IonicContact OD2-NE 2.79Å; D97-R104 PolarHBondContact OD2-NE 3.18Å; D97-H112 IonicContact OD1-CE1 3.76Å; D97-H112 PolarHBondContact OD1-CE1 3.38Å; D97-H112 VanDerWaalsContact OD1-CE1 3.23Å; D97-H112 IonicContact OD1-NE2 3.9Å; D97-H112 PolarHBondContact OD1-NE2 3.13Å; D97-H112 IonicContact OD2-CD2 3.56Å; D97-H112 IonicContact OD2-CE1 2.86Å; D97-H112 PolarHBondContact OD2-CE1 2.9Å; D97-H112 IonicContact OD2-NE2 3.76Å; D97-H112 PolarHBondContact OD2-NE2 2.97Å; D97-I502 HydrophobicContact CB-CD1 4.34Å
98	I	83.7	Confident	80.8	Confident	159 Å²	159	75.5 Å²	75.5	82%	0.815	37%	0.368	S	S	*	.	S	Bend	trans	-69.4	-29.8	175.8	-56	172.8	0	0	0	109.7
99	F	86.2	Confident	81.8	Confident	68 Å²	68	71.3 Å²	71.3	30%	0.298	35%	0.35	S	S	.	.	S	Bend	trans	-98.1	138	-178.7	-58.9	-75.3	0	0	0	112.3	D97 D103 R104 A108 L111	D97-F99 PolarHBondContact OD1-N 3.35Å; F99-D103 HydrophobicContact CB-CB 4.11Å; F99-D103 HydrophobicContact CD1-CB 4.3Å; F99-R104 HydrophobicContact CB-CG 4.01Å; F99-R104 PolarHBondContact O-NE 3.18Å; F99-A108 HydrophobicContact CB-CB 4.3Å; F99-A108 HydrophobicContact CD1-CB 3.88Å; F99-A108 HydrophobicContact CD2-CB 4.4Å; F99-A108 HydrophobicContact CE1-CB 4.32Å; F99-A108 HydrophobicContact CG-CB 3.92Å; F99-L111 HydrophobicContact CE2-CD2 3.65Å; F99-L111 HydrophobicContact CZ-CD2 3.9Å
100	S	85	Confident	82.8	Confident	56 Å²	56	75 Å²	75	39%	0.392	37%	0.372	S	S	.	.			trans	-69.9	165.2	172.8	73	0	0	0	0	111.5	E102 D103 R104	S100-E102 PolarHBondContact O-N 3.13Å; S100-D103 WeakPolarHBondContact CB-OD2 3.37Å; S100-D103 PolarHBondContact N-OD2 3.42Å; S100-D103 PolarHBondContact O-N 2.99Å; S100-D103 PolarHBondContact OG-N 3.02Å; S100-D103 PolarHBondContact OG-OD2 3.13Å; S100-R104 WeakPolarHBondContact O-CG 3.38Å; S100-R104 PolarHBondContact O-N 3.13Å; S100-R104 PolarHBondContact O-NE 3.01Å
101	N	80.9	Confident	83.8	Confident	43 Å²	43	79.3 Å²	79.3	23%	0.23	39%	0.394	C	S	.	.	H	α-helix	trans	-56.1	-36.7	174	-79.9	-25.7	0	0	0	112.1	R104 R105 Y505 D645	N101-R104 PolarHBondContact OD1-NH1 3.23Å; N101-R104 VanDerWaalsContact OD1-NH1 3.13Å; N101-R104 PolarHBondContact OD1-NH2 3.32Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.05Å; N101-R105 VanDerWaalsContact O-N 3.13Å; N101-Y505 VanDerWaalsContact CG-CE1 3.47Å; N101-Y505 WeakPolarHBondContact ND2-CE1 3.12Å; N101-Y505 PolarHBondContact ND2-OH 2.95Å; N101-Y505 VanDerWaalsContact ND2-OH 3.17Å; N101-Y505 WeakPolarHBondContact OD1-CE1 3.19Å; N101-D645 PolarHBondContact ND2-OD2 2.99Å
102	E	84.1	Confident	84.5	Confident	107 Å²	107	78.8 Å²	78.8	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-70.3	-44.5	179.4	-173.8	57	-151.3	0	0	111.4	S100 R104 R105 Q106	S100-E102 PolarHBondContact O-N 3.13Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.21Å; E102-R105 PolarHBondContact O-N 3.39Å; E102-Q106 WeakPolarHBondContact O-CG 3.25Å; E102-Q106 PolarHBondContact O-N 2.78Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å
103	D	88	Confident	85.6	Confident	67 Å²	67	75.2 Å²	75.2	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-38.3	176.5	-57.5	-42.9	0	0	0	111.5	F99 S100 Q106 G107 A108	F99-D103 HydrophobicContact CB-CB 4.11Å; F99-D103 HydrophobicContact CD1-CB 4.3Å; S100-D103 WeakPolarHBondContact CB-OD2 3.37Å; S100-D103 PolarHBondContact N-OD2 3.42Å; S100-D103 PolarHBondContact O-N 2.99Å; S100-D103 PolarHBondContact OG-N 3.02Å; S100-D103 PolarHBondContact OG-OD2 3.13Å; D103-Q106 PolarHBondContact O-N 2.68Å; D103-G107 PolarHBondContact O-N 2.98Å; D103-A108 HydrophobicContact CB-CB 4.39Å; D103-A108 WeakPolarHBondContact O-CB 3.35Å; D103-A108 PolarHBondContact O-N 3.22Å
104	R	88.1	Confident	86.6	Confident	11 Å²	11	77.4 Å²	77.4	4%	0.042	39%	0.392	C	S	.	.	I	π-helix	trans	-64	-44.2	176.7	-75.4	-175.1	-93.1	144.6	-7	112	D97 F99 S100 N101 E102 Q106 G107 V109 I502 T506	D97-R104 VanDerWaalsContact OD2-CD 3.28Å; D97-R104 WeakPolarHBondContact OD2-CD 3.28Å; D97-R104 IonicContact OD2-CZ 3.19Å; D97-R104 IonicContact OD2-NE 2.79Å; D97-R104 PolarHBondContact OD2-NE 3.18Å; F99-R104 HydrophobicContact CB-CG 4.01Å; F99-R104 PolarHBondContact O-NE 3.18Å; S100-R104 WeakPolarHBondContact O-CG 3.38Å; S100-R104 PolarHBondContact O-N 3.13Å; S100-R104 PolarHBondContact O-NE 3.01Å; N101-R104 PolarHBondContact OD1-NH1 3.23Å; N101-R104 VanDerWaalsContact OD1-NH1 3.13Å; N101-R104 PolarHBondContact OD1-NH2 3.32Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.21Å; R104-Q106 VanDerWaalsContact C-N 3.28Å; R104-Q106 PolarHBondContact O-N 3.42Å; R104-G107 PolarHBondContact O-N 3Å; R104-G107 VanDerWaalsContact O-N 3.16Å; R104-V109 PolarHBondContact O-N 3.04Å; R104-I502 VanDerWaalsContact CD-CG2 3.4Å; R104-T506 HydrophobicContact CB-CG2 3.83Å; R104-T506 PolarHBondContact NH1-OG1 3.5Å
105	R	83.5	Confident	87.2	Confident	180 Å²	180	78 Å²	78	68%	0.679	40%	0.399	S	S	*	.	I	π-helix	trans	-64.8	-31.8	174.6	-73.5	179.8	173.1	-145	-2	112.7	N101 E102 G107 T506	N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.05Å; N101-R105 VanDerWaalsContact O-N 3.13Å; E102-R105 PolarHBondContact O-N 3.39Å; R105-G107 PolarHBondContact O-N 2.79Å; R105-T506 HydrophobicContact CG-CG2 4.3Å
106	Q	87.3	Confident	87.7	Confident	138 Å²	138	75.6 Å²	75.6	65%	0.645	38%	0.384	S	S	*	.	I	π-helix	trans	-76.6	-2.1	175.7	-69.1	178.6	15.7	0	0	114	E102 D103 R104	E102-Q106 WeakPolarHBondContact O-CG 3.25Å; E102-Q106 PolarHBondContact O-N 2.78Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å; D103-Q106 PolarHBondContact O-N 2.68Å; R104-Q106 VanDerWaalsContact C-N 3.28Å; R104-Q106 PolarHBondContact O-N 3.42Å
107	G	87.8	Confident	88.2	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	37%	0.368	S	S	.	.	I	π-helix	trans	124.5	-6.4	171.3	0	0	0	0	0	115	D103 R104 R105 V109 V110	D103-G107 PolarHBondContact O-N 2.98Å; R104-G107 PolarHBondContact O-N 3Å; R104-G107 VanDerWaalsContact O-N 3.16Å; R105-G107 PolarHBondContact O-N 2.79Å; G107-V109 PolarHBondContact O-N 2.89Å; G107-V109 VanDerWaalsContact O-N 3.07Å; G107-V110 WeakPolarHBondContact O-CB 3.4Å; G107-V110 WeakPolarHBondContact O-CG2 3.16Å; G107-V110 PolarHBondContact O-N 3.09Å
108	A	89.8	Confident	88.6	Confident	22 Å²	22	70.5 Å²	70.5	18%	0.182	37%	0.369	C	S	.	.	I	π-helix	trans	-61.7	-18.6	176.2	0	0	0	0	0	112.6	F99 D103 V110 L111	F99-A108 HydrophobicContact CB-CB 4.3Å; F99-A108 HydrophobicContact CD1-CB 3.88Å; F99-A108 HydrophobicContact CD2-CB 4.4Å; F99-A108 HydrophobicContact CE1-CB 4.32Å; F99-A108 HydrophobicContact CG-CB 3.92Å; D103-A108 HydrophobicContact CB-CB 4.39Å; D103-A108 WeakPolarHBondContact O-CB 3.35Å; D103-A108 PolarHBondContact O-N 3.22Å; A108-V110 PolarHBondContact O-N 3.27Å; A108-V110 VanDerWaalsContact O-N 3.14Å; A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.11Å
109	V	90.7	Very high	89	Confident	32 Å²	32	64 Å²	64	19%	0.194	34%	0.335	C	S	.	.	H	α-helix	trans	-55.4	-28	171.9	71.7	0	0	0	0	113.4	R104 G107 L111 H112 V113 I503 T506	R104-V109 PolarHBondContact O-N 3.04Å; G107-V109 PolarHBondContact O-N 2.89Å; G107-V109 VanDerWaalsContact O-N 3.07Å; V109-L111 VanDerWaalsContact C-N 3.26Å; V109-L111 PolarHBondContact O-N 3.42Å; V109-H112 WeakPolarHBondContact O-CB 3.12Å; V109-H112 PolarHBondContact O-N 3.34Å; V109-H112 VanDerWaalsContact O-N 3.11Å; V109-V113 WeakPolarHBondContact O-CG2 3.14Å; V109-V113 PolarHBondContact O-N 2.88Å; V109-I503 HydrophobicContact CG2-CG1 4.08Å; V109-I503 HydrophobicContact CG2-CG2 4.49Å; V109-T506 HydrophobicContact CB-CG2 4.26Å; V109-T506 HydrophobicContact CG2-CG2 4.18Å
110	V	91.5	Very high	89.3	Confident	88 Å²	88	63.4 Å²	63.4	53%	0.533	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-35.8	177.4	177.1	0	0	0	0	111.4	G107 A108 H112 V113 L114	G107-V110 WeakPolarHBondContact O-CB 3.4Å; G107-V110 WeakPolarHBondContact O-CG2 3.16Å; G107-V110 PolarHBondContact O-N 3.09Å; A108-V110 PolarHBondContact O-N 3.27Å; A108-V110 VanDerWaalsContact O-N 3.14Å; V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 3.25Å; V110-V113 PolarHBondContact O-N 3.47Å; V110-L114 HydrophobicContact CG1-CD1 4.36Å; V110-L114 HydrophobicContact CG1-CG 4.49Å; V110-L114 WeakPolarHBondContact O-CG 3.29Å; V110-L114 PolarHBondContact O-N 2.74Å
111	L	92.2	Very high	89.4	Confident	94 Å²	94	62.7 Å²	62.7	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-39.4	176.4	-177.5	63.6	0	0	0	111.3	F99 A108 V109 L114 C115	F99-L111 HydrophobicContact CE2-CD2 3.65Å; F99-L111 HydrophobicContact CZ-CD2 3.9Å; A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.11Å; V109-L111 VanDerWaalsContact C-N 3.26Å; V109-L111 PolarHBondContact O-N 3.42Å; L111-L114 PolarHBondContact O-N 2.73Å; L111-C115 WeakPolarHBondContact O-CB 3.47Å; L111-C115 PolarHBondContact O-N 3.48Å
112	H	92.3	Very high	89.9	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175.7	-65.2	-47.3	0	0	0	111.9	D97 V109 V110 C115 A116 M499 I502 I503	D97-H112 IonicContact OD1-CE1 3.76Å; D97-H112 PolarHBondContact OD1-CE1 3.38Å; D97-H112 VanDerWaalsContact OD1-CE1 3.23Å; D97-H112 IonicContact OD1-NE2 3.9Å; D97-H112 PolarHBondContact OD1-NE2 3.13Å; D97-H112 IonicContact OD2-CD2 3.56Å; D97-H112 IonicContact OD2-CE1 2.86Å; D97-H112 PolarHBondContact OD2-CE1 2.9Å; D97-H112 IonicContact OD2-NE2 3.76Å; D97-H112 PolarHBondContact OD2-NE2 2.97Å; V109-H112 WeakPolarHBondContact O-CB 3.12Å; V109-H112 PolarHBondContact O-N 3.34Å; V109-H112 VanDerWaalsContact O-N 3.11Å; V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 3.25Å; H112-C115 WeakPolarHBondContact O-CB 3.24Å; H112-C115 PolarHBondContact O-N 3.4Å; H112-A116 WeakPolarHBondContact O-CB 3.23Å; H112-A116 PolarHBondContact O-N 2.81Å; H112-M499 HydrophobicContact CB-SD 4.39Å; H112-M499 PolarHBondContact ND1-SD 2.74Å; H112-M499 VanDerWaalsContact ND1-SD 3.4Å; H112-I502 WeakPolarHBondContact CD2-CG2 3.38Å; H112-I503 HydrophobicContact CB-CD1 4.33Å; H112-I503 HydrophobicContact CB-CG1 3.98Å
113	V	91.9	Very high	90.3	Very high	59 Å²	59	55.6 Å²	55.6	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-46.3	173.8	174.8	0	0	0	0	111.1	V109 V110 C115 A116 M117 I503	V109-V113 WeakPolarHBondContact O-CG2 3.14Å; V109-V113 PolarHBondContact O-N 2.88Å; V110-V113 PolarHBondContact O-N 3.47Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 2.81Å; V113-A116 PolarHBondContact O-N 3.22Å; V113-M117 HydrophobicContact CG1-SD 4.31Å; V113-M117 WeakPolarHBondContact O-CG 3.27Å; V113-M117 PolarHBondContact O-N 2.91Å; V113-I503 HydrophobicContact CB-CD1 4.43Å; V113-I503 HydrophobicContact CG2-CD1 3.76Å; V113-I503 HydrophobicContact CG2-CG1 4.12Å
114	L	92.2	Very high	90.3	Very high	103 Å²	103	52.8 Å²	52.8	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-39.2	176.9	-69.2	176	0	0	0	111.9	V110 L111 M117 Y118	V110-L114 HydrophobicContact CG1-CD1 4.36Å; V110-L114 HydrophobicContact CG1-CG 4.49Å; V110-L114 WeakPolarHBondContact O-CG 3.29Å; V110-L114 PolarHBondContact O-N 2.74Å; L111-L114 PolarHBondContact O-N 2.73Å; L114-M117 PolarHBondContact O-N 3.45Å; L114-Y118 WeakPolarHBondContact O-CB 3.27Å; L114-Y118 PolarHBondContact O-N 2.86Å
115	C	92.4	Very high	90.3	Very high	34 Å²	34	52.9 Å²	52.9	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-47.9	174.2	-170.8	0	0	0	0	111.2	L111 H112 V113 M117 Y118 M119 M499	L111-C115 WeakPolarHBondContact O-CB 3.47Å; L111-C115 PolarHBondContact O-N 3.48Å; H112-C115 WeakPolarHBondContact O-CB 3.24Å; H112-C115 PolarHBondContact O-N 3.4Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 2.81Å; C115-M117 VanDerWaalsContact C-N 3.34Å; C115-M117 PolarHBondContact O-N 2.94Å; C115-Y118 WeakPolarHBondContact O-CB 3.37Å; C115-Y118 PolarHBondContact O-N 2.76Å; C115-Y118 VanDerWaalsContact O-N 3.15Å; C115-M119 WeakPolarHBondContact O-CG 3.03Å; C115-M119 PolarHBondContact O-N 2.84Å; C115-M499 HydrophobicContact CB-CG 3.92Å; C115-M499 HydrophobicContact CB-SD 3.93Å
116	A	91.3	Very high	90.7	Very high	14 Å²	14	44.3 Å²	44.3	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-43.8	176.9	0	0	0	0	0	112	H112 V113 Y118 M119 F120 M499 I503	H112-A116 WeakPolarHBondContact O-CB 3.23Å; H112-A116 PolarHBondContact O-N 2.81Å; V113-A116 PolarHBondContact O-N 3.22Å; A116-Y118 PolarHBondContact O-N 3.05Å; A116-M119 PolarHBondContact O-N 3.25Å; A116-F120 WeakPolarHBondContact O-CB 3.26Å; A116-F120 PolarHBondContact O-N 3.41Å; A116-M499 HydrophobicContact CB-CB 4.01Å; A116-I503 HydrophobicContact CB-CD1 4.4Å
117	M	90.6	Very high	90.9	Very high	116 Å²	116	37.7 Å²	37.7	57%	0.571	21%	0.211	S	C	*	.	H	α-helix	trans	-63.3	-39.8	175.3	-71.7	-179.4	66.3	0	0	112.6	V113 L114 C115 F120 Y121	V113-M117 HydrophobicContact CG1-SD 4.31Å; V113-M117 WeakPolarHBondContact O-CG 3.27Å; V113-M117 PolarHBondContact O-N 2.91Å; L114-M117 PolarHBondContact O-N 3.45Å; C115-M117 VanDerWaalsContact C-N 3.34Å; C115-M117 PolarHBondContact O-N 2.94Å; M117-F120 PolarHBondContact O-N 3.43Å; M117-Y121 PolarHBondContact O-N 3.36Å
118	Y	91.4	Very high	91	Very high	48 Å²	48	36.4 Å²	36.4	19%	0.188	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-44.7	175.1	178.1	-100.2	0	0	0	111.7	L114 C115 A116 Y121 A122 F454 L458	L114-Y118 WeakPolarHBondContact O-CB 3.27Å; L114-Y118 PolarHBondContact O-N 2.86Å; C115-Y118 WeakPolarHBondContact O-CB 3.37Å; C115-Y118 PolarHBondContact O-N 2.76Å; C115-Y118 VanDerWaalsContact O-N 3.15Å; A116-Y118 PolarHBondContact O-N 3.05Å; Y118-Y121 PolarHBondContact O-N 3.26Å; Y118-A122 WeakPolarHBondContact O-CB 3.16Å; Y118-A122 PolarHBondContact O-N 3.29Å; Y118-F454 HydrophobicContact CD2-CD1 4.29Å; Y118-F454 AromaticContact CD2-CE1 3.54Å; Y118-F454 HydrophobicContact CD2-CE1 3.54Å; Y118-F454 HydrophobicContact CD2-CE2 4.06Å; Y118-F454 AromaticContact CD2-CZ 3.43Å; Y118-F454 HydrophobicContact CD2-CZ 3.43Å; Y118-F454 VanDerWaalsContact CD2-CZ 3.43Å; Y118-F454 HydrophobicContact CE2-CD1 4.4Å; Y118-F454 HydrophobicContact CE2-CE1 4.09Å; Y118-F454 HydrophobicContact CE2-CZ 4.2Å; Y118-F454 HydrophobicContact CG-CZ 4.35Å; Y118-L458 WeakPolarHBondContact OH-CB 3.39Å
119	M	92.4	Very high	90.8	Very high	22 Å²	22	36 Å²	36	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-40	177.4	-62.1	-54.6	160.8	0	0	111.9	C115 A116 Y121 A122 L123 F492 M495 M496	C115-M119 WeakPolarHBondContact O-CG 3.03Å; C115-M119 PolarHBondContact O-N 2.84Å; A116-M119 PolarHBondContact O-N 3.25Å; M119-Y121 VanDerWaalsContact C-N 3.32Å; M119-Y121 PolarHBondContact O-N 2.9Å; M119-A122 WeakPolarHBondContact O-CB 3.42Å; M119-A122 PolarHBondContact O-N 2.79Å; M119-L123 WeakPolarHBondContact O-CG 3.13Å; M119-L123 PolarHBondContact O-N 3.46Å; M119-F492 HydrophobicContact SD-CD1 3.95Å; M119-M495 HydrophobicContact CE-CB 4.31Å; M119-M495 HydrophobicContact CG-CB 4.08Å; M119-M495 HydrophobicContact SD-CB 4.05Å; M119-M496 HydrophobicContact CB-CB 3.81Å; M119-M496 HydrophobicContact CB-CG 4.39Å
120	F	91.4	Very high	90.8	Very high	56 Å²	56	35.3 Å²	35.3	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-46.1	173.2	-176.3	-77.7	0	0	0	111.5	L26 A116 M117 L123 A124 M496 V525 M529	L26-F120 HydrophobicContact CD1-CD1 4.31Å; L26-F120 HydrophobicContact CD1-CE1 3.61Å; L26-F120 HydrophobicContact CD2-CD1 4.25Å; L26-F120 HydrophobicContact CD2-CE1 3.18Å; L26-F120 HydrophobicContact CD2-CZ 3.41Å; L26-F120 VanDerWaalsContact CD2-CZ 3.41Å; L26-F120 HydrophobicContact CG-CE1 4Å; A116-F120 WeakPolarHBondContact O-CB 3.26Å; A116-F120 PolarHBondContact O-N 3.41Å; M117-F120 PolarHBondContact O-N 3.43Å; F120-L123 PolarHBondContact O-N 3.37Å; F120-A124 PolarHBondContact O-N 3.34Å; F120-A124 VanDerWaalsContact O-N 3.14Å; F120-M496 HydrophobicContact CB-SD 4.24Å; F120-M496 HydrophobicContact CD2-SD 4.3Å; F120-V525 HydrophobicContact CD2-CB 4.41Å; F120-V525 HydrophobicContact CD2-CG1 3.56Å; F120-V525 HydrophobicContact CD2-CG2 3.9Å; F120-V525 HydrophobicContact CE2-CB 4.18Å; F120-V525 HydrophobicContact CE2-CG1 3.31Å; F120-V525 HydrophobicContact CE2-CG2 3.71Å; F120-V525 HydrophobicContact CG-CG1 4.45Å; F120-V525 HydrophobicContact CZ-CG1 3.99Å; F120-M529 HydrophobicContact CE1-SD 4.27Å; F120-M529 HydrophobicContact CZ-SD 4.06Å
121	Y	88.3	Confident	90.9	Very high	41 Å²	41	31.1 Å²	31.1	16%	0.161	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-36.8	177.4	-177.6	-117.3	0	0	0	112.3	R19 L23 M117 Y118 M119 A124 I125 F454 T455	R19-Y121 PolarHBondContact NH2-OH 3.31Å; R19-Y121 VanDerWaalsContact NH2-OH 3.17Å; L23-Y121 HydrophobicContact CD1-CD2 4.36Å; L23-Y121 HydrophobicContact CD1-CE2 4.16Å; M117-Y121 PolarHBondContact O-N 3.36Å; Y118-Y121 PolarHBondContact O-N 3.26Å; M119-Y121 VanDerWaalsContact C-N 3.32Å; M119-Y121 PolarHBondContact O-N 2.9Å; Y121-A124 WeakPolarHBondContact O-CB 3.33Å; Y121-A124 PolarHBondContact O-N 2.96Å; Y121-I125 HydrophobicContact CD1-CD1 3.93Å; Y121-I125 HydrophobicContact CE1-CD1 3.54Å; Y121-I125 HydrophobicContact CE2-CD1 4.33Å; Y121-I125 WeakPolarHBondContact O-CG1 3.17Å; Y121-I125 PolarHBondContact O-N 3.12Å; Y121-I125 VanDerWaalsContact O-N 3.14Å; Y121-F454 HydrophobicContact CD1-CE1 4.3Å; Y121-T455 HydrophobicContact CD1-CG2 4.39Å; Y121-T455 HydrophobicContact CE1-CG2 3.4Å
122	A	91	Very high	90.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-43.6	173.8	0	0	0	0	0	112.1	Y118 M119 A124 I125 V126 L458 F492	Y118-A122 WeakPolarHBondContact O-CB 3.16Å; Y118-A122 PolarHBondContact O-N 3.29Å; M119-A122 WeakPolarHBondContact O-CB 3.42Å; M119-A122 PolarHBondContact O-N 2.79Å; A122-A124 VanDerWaalsContact C-N 3.34Å; A122-A124 PolarHBondContact O-N 3.16Å; A122-I125 PolarHBondContact O-N 3.28Å; A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 2.94Å; A122-L458 HydrophobicContact CB-CD1 3.88Å; A122-L458 HydrophobicContact CB-CD2 3.61Å; A122-L458 HydrophobicContact CB-CG 4.39Å; A122-F492 HydrophobicContact CB-CD1 4.41Å; A122-F492 HydrophobicContact CB-CD2 4.16Å; A122-F492 HydrophobicContact CB-CE2 4.29Å; A122-F492 HydrophobicContact CB-CG 4.25Å; A122-F492 HydrophobicContact CB-CZ 4.49Å
123	L	91.7	Very high	90.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-44.8	174.7	-74.5	171.8	0	0	0	111.9	M119 F120 I125 V126 C127 I489 F492 M496 V525 P526	M119-L123 WeakPolarHBondContact O-CG 3.13Å; M119-L123 PolarHBondContact O-N 3.46Å; F120-L123 PolarHBondContact O-N 3.37Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 2.99Å; L123-V126 PolarHBondContact O-N 3.19Å; L123-C127 WeakPolarHBondContact O-CB 3.29Å; L123-C127 PolarHBondContact O-N 2.87Å; L123-C127 PolarHBondContact O-SG 3.38Å; L123-I489 HydrophobicContact CD2-CB 4.39Å; L123-I489 HydrophobicContact CD2-CG1 4.48Å; L123-I489 HydrophobicContact CD2-CG2 4.24Å; L123-I489 WeakPolarHBondContact CD2-O 3.32Å; L123-F492 HydrophobicContact CD2-CB 3.65Å; L123-F492 HydrophobicContact CG-CB 3.91Å; L123-M496 HydrophobicContact CD1-CE 3.76Å; L123-M496 HydrophobicContact CD1-SD 3.94Å; L123-V525 HydrophobicContact CD1-CB 4.35Å; L123-V525 HydrophobicContact CD1-CG1 3.97Å; L123-P526 HydrophobicContact CD1-CG 4.24Å; L123-P526 HydrophobicContact CD2-CG 4.09Å
124	A	89.6	Confident	90.8	Very high	9 Å²	9	23.8 Å²	23.8	7%	0.074	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-42.9	177.4	0	0	0	0	0	112.1	F120 Y121 A122 D128 M529	F120-A124 PolarHBondContact O-N 3.34Å; F120-A124 VanDerWaalsContact O-N 3.14Å; Y121-A124 WeakPolarHBondContact O-CB 3.33Å; Y121-A124 PolarHBondContact O-N 2.96Å; A122-A124 VanDerWaalsContact C-N 3.34Å; A122-A124 PolarHBondContact O-N 3.16Å; A124-D128 WeakPolarHBondContact O-CB 3.18Å; A124-D128 PolarHBondContact O-N 3.24Å; A124-D128 VanDerWaalsContact O-N 3.09Å; A124-M529 HydrophobicContact CB-CE 3.56Å; A124-M529 HydrophobicContact CB-CG 4.5Å; A124-M529 HydrophobicContact CB-SD 4.39Å
125	I	87.3	Confident	90.8	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.062	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-49	177.2	-69	168.4	0	0	0	111.1	Y121 A122 L123 C127 D128 D129 T455 L458	Y121-I125 HydrophobicContact CD1-CD1 3.93Å; Y121-I125 HydrophobicContact CE1-CD1 3.54Å; Y121-I125 HydrophobicContact CE2-CD1 4.33Å; Y121-I125 WeakPolarHBondContact O-CG1 3.17Å; Y121-I125 PolarHBondContact O-N 3.12Å; Y121-I125 VanDerWaalsContact O-N 3.14Å; A122-I125 PolarHBondContact O-N 3.28Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 2.99Å; I125-C127 PolarHBondContact O-N 3.46Å; I125-D128 PolarHBondContact O-N 2.93Å; I125-D129 WeakPolarHBondContact O-CB 3.43Å; I125-D129 PolarHBondContact O-N 3.11Å; I125-T455 HydrophobicContact CD1-CG2 3.88Å; I125-L458 HydrophobicContact CB-CD2 4.42Å; I125-L458 HydrophobicContact CD1-CD2 3.81Å
126	V	91.4	Very high	90.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-39.1	-179.7	177.7	0	0	0	0	111.2	A122 L123 F130 F131 L462 W488 I489 F492	A122-V126 WeakPolarHBondContact O-CG2 3.46Å; A122-V126 PolarHBondContact O-N 2.94Å; L123-V126 PolarHBondContact O-N 3.19Å; V126-F130 PolarHBondContact O-N 3.13Å; V126-F131 PolarHBondContact O-N 3.34Å; V126-L462 HydrophobicContact CG2-CD1 3.72Å; V126-L462 HydrophobicContact CG2-CD2 4.05Å; V126-W488 HydrophobicContact CG1-CB 4.33Å; V126-I489 HydrophobicContact CB-CG1 4.47Å; V126-I489 HydrophobicContact CG1-CD1 4.35Å; V126-I489 HydrophobicContact CG1-CG1 3.82Å; V126-F492 HydrophobicContact CG2-CD2 3.97Å; V126-F492 HydrophobicContact CG2-CE2 3.68Å
127	C	92.1	Very high	90.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-63.7	-48.8	177.7	-68.9	0	0	0	0	112.3	L123 I125 V132 M529 I533	L123-C127 WeakPolarHBondContact O-CB 3.29Å; L123-C127 PolarHBondContact O-N 2.87Å; L123-C127 PolarHBondContact O-SG 3.38Å; I125-C127 PolarHBondContact O-N 3.46Å; C127-V132 WeakPolarHBondContact O-CB 3.39Å; C127-V132 VanDerWaalsContact O-CG2 3.32Å; C127-V132 WeakPolarHBondContact O-CG2 3.46Å; C127-V132 PolarHBondContact O-N 2.96Å; C127-M529 HydrophobicContact CB-CB 4.37Å; C127-I533 HydrophobicContact CB-CD1 3.81Å
128	D	88.5	Confident	90.6	Very high	6 Å²	6	15 Å²	15	3%	0.032	7%	0.068	C	C	.	.	I	π-helix	trans	-75.1	-43.7	-174.8	-163.1	23.8	0	0	0	112.7	A124 I125 P133 I533	A124-D128 WeakPolarHBondContact O-CB 3.18Å; A124-D128 PolarHBondContact O-N 3.24Å; A124-D128 VanDerWaalsContact O-N 3.09Å; I125-D128 PolarHBondContact O-N 2.93Å; D128-P133 WeakPolarHBondContact O-CD 3.5Å; D128-P133 VanDerWaalsContact O-CG 3.24Å; D128-P133 WeakPolarHBondContact O-CG 2.96Å; D128-I533 HydrophobicContact CB-CD1 3.73Å; D128-I533 HydrophobicContact CB-CG1 4.45Å; D128-I533 WeakPolarHBondContact OD1-CG2 3.45Å
129	D	86.8	Confident	90.6	Very high	13 Å²	13	13.5 Å²	13.5	7%	0.07	7%	0.065	C	C	.	.	I	π-helix	trans	-89.8	-25.1	-170	-72.9	-26.4	0	0	0	114	I125	I125-D129 WeakPolarHBondContact O-CB 3.43Å; I125-D129 PolarHBondContact O-N 3.11Å
130	F	91.1	Very high	90.4	Very high	19 Å²	19	17.1 Å²	17.1	8%	0.083	8%	0.081	C	C	.	.	I	π-helix	trans	-124.9	-52.1	-173.9	-58.3	-85.3	0	0	0	113.3	V126 S134 L462 V466 N468 T481	V126-F130 PolarHBondContact O-N 3.13Å; F130-S134 VanDerWaalsContact O-CB 3.24Å; F130-S134 WeakPolarHBondContact O-CB 3.44Å; F130-S134 PolarHBondContact O-N 3.39Å; F130-S134 VanDerWaalsContact O-N 3.1Å; F130-S134 PolarHBondContact O-OG 3.08Å; F130-L462 HydrophobicContact CE2-CB 4.19Å; F130-L462 HydrophobicContact CE2-CD1 3.95Å; F130-L462 HydrophobicContact CZ-CB 4.15Å; F130-V466 HydrophobicContact CB-CG1 4.13Å; F130-V466 HydrophobicContact CD1-CB 3.94Å; F130-V466 HydrophobicContact CD1-CG1 3.39Å; F130-V466 HydrophobicContact CE1-CB 3.99Å; F130-V466 HydrophobicContact CE1-CG1 3.94Å; F130-V466 HydrophobicContact CG-CG1 3.9Å; F130-N468 HydrophobicContact CE1-CB 4.17Å; F130-T481 HydrophobicContact CB-CG2 4.45Å
131	F	93.9	Very high	90.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-67.8	-59.4	-172.9	-176.2	-111.7	0	0	0	112.4	V126 S134 L135 M154 F482 I489 A530	V126-F131 PolarHBondContact O-N 3.34Å; F131-S134 PolarHBondContact O-N 2.89Å; F131-S134 PolarHBondContact O-OG 3.27Å; F131-L135 HydrophobicContact CD1-CD1 3.84Å; F131-L135 HydrophobicContact CE1-CD1 3.47Å; F131-L135 VanDerWaalsContact CE1-CD1 3.47Å; F131-L135 HydrophobicContact CE2-CD1 4.3Å; F131-L135 HydrophobicContact CG-CD1 4.4Å; F131-L135 HydrophobicContact CZ-CD1 3.72Å; F131-L135 PolarHBondContact O-N 2.94Å; F131-M154 HydrophobicContact CE1-CG 3.99Å; F131-M154 HydrophobicContact CZ-CG 4.45Å; F131-F482 HydrophobicContact CD2-CD2 4.12Å; F131-F482 AromaticContact CD2-CE2 3.98Å; F131-F482 HydrophobicContact CD2-CE2 3.98Å; F131-F482 AromaticContact CE2-CD2 3.92Å; F131-F482 HydrophobicContact CE2-CD2 3.92Å; F131-F482 AromaticContact CE2-CE2 3.31Å; F131-F482 HydrophobicContact CE2-CE2 3.31Å; F131-F482 HydrophobicContact CE2-CZ 4.01Å; F131-F482 AromaticContact CZ-CE2 3.95Å; F131-F482 HydrophobicContact CZ-CE2 3.95Å; F131-I489 HydrophobicContact CB-CD1 4Å; F131-I489 HydrophobicContact CD1-CD1 4.22Å; F131-I489 HydrophobicContact CD2-CD1 3.78Å; F131-I489 HydrophobicContact CE2-CD1 4.26Å; F131-I489 HydrophobicContact CG-CD1 3.75Å; F131-A530 HydrophobicContact CD1-CB 4.21Å; F131-A530 HydrophobicContact CE1-CB 4.08Å
132	V	92.1	Very high	90.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-45	-179.3	172.5	0	0	0	0	112	C127 S134 L135 E136 I533 V534	C127-V132 WeakPolarHBondContact O-CB 3.39Å; C127-V132 VanDerWaalsContact O-CG2 3.32Å; C127-V132 WeakPolarHBondContact O-CG2 3.46Å; C127-V132 PolarHBondContact O-N 2.96Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.44Å; V132-L135 WeakPolarHBondContact O-CB 3.48Å; V132-L135 PolarHBondContact O-N 3.26Å; V132-L135 VanDerWaalsContact O-N 3.12Å; V132-E136 HydrophobicContact CG1-CG 4.48Å; V132-E136 WeakPolarHBondContact O-CG 3.36Å; V132-E136 PolarHBondContact O-N 3.14Å; V132-I533 HydrophobicContact CB-CG2 4.31Å; V132-I533 HydrophobicContact CG1-CG2 4.13Å; V132-I533 HydrophobicContact CG2-CB 4.35Å; V132-I533 HydrophobicContact CG2-CG2 4.04Å; V132-V534 HydrophobicContact CG1-CG1 3.82Å; V132-V534 HydrophobicContact CG2-CG1 4.15Å
133	P	89.4	Confident	90	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.039	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-37.1	176.6	-25.4	36.2	0	0	0	113.4	D128 L135 E136 K137 N470	D128-P133 WeakPolarHBondContact O-CD 3.5Å; D128-P133 VanDerWaalsContact O-CG 3.24Å; D128-P133 WeakPolarHBondContact O-CG 2.96Å; P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 3.5Å; P133-E136 PolarHBondContact O-N 2.95Å; P133-K137 PolarHBondContact O-N 2.98Å; P133-K137 VanDerWaalsContact O-N 3.08Å; P133-N470 WeakPolarHBondContact CB-OD1 3.49Å
134	S	92.3	Very high	89.8	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-36.4	174.6	74.1	0	0	0	0	111.8	F130 F131 V132 K137 I138 F482	F130-S134 VanDerWaalsContact O-CB 3.24Å; F130-S134 WeakPolarHBondContact O-CB 3.44Å; F130-S134 PolarHBondContact O-N 3.39Å; F130-S134 VanDerWaalsContact O-N 3.1Å; F130-S134 PolarHBondContact O-OG 3.08Å; F131-S134 PolarHBondContact O-N 2.89Å; F131-S134 PolarHBondContact O-OG 3.27Å; V132-S134 VanDerWaalsContact C-N 3.33Å; V132-S134 PolarHBondContact O-N 3.44Å; S134-K137 PolarHBondContact O-N 3.28Å; S134-I138 VanDerWaalsContact O-CG1 3.28Å; S134-I138 WeakPolarHBondContact O-CG1 3.37Å; S134-I138 PolarHBondContact O-N 3.41Å; S134-F482 WeakPolarHBondContact OG-CA 3.42Å; S134-F482 WeakPolarHBondContact OG-CB 3.47Å
135	L	92.4	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-44.6	173.5	-79.9	167.9	0	0	0	112.7	F131 V132 P133 K137 I138 C139 F153 M154 F482 M542	F131-L135 HydrophobicContact CD1-CD1 3.84Å; F131-L135 HydrophobicContact CE1-CD1 3.47Å; F131-L135 VanDerWaalsContact CE1-CD1 3.47Å; F131-L135 HydrophobicContact CE2-CD1 4.3Å; F131-L135 HydrophobicContact CG-CD1 4.4Å; F131-L135 HydrophobicContact CZ-CD1 3.72Å; F131-L135 PolarHBondContact O-N 2.94Å; V132-L135 WeakPolarHBondContact O-CB 3.48Å; V132-L135 PolarHBondContact O-N 3.26Å; V132-L135 VanDerWaalsContact O-N 3.12Å; P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 3.5Å; L135-K137 PolarHBondContact O-N 3.33Å; L135-I138 HydrophobicContact CD2-CD1 4.26Å; L135-I138 WeakPolarHBondContact O-CA 3.49Å; L135-I138 WeakPolarHBondContact O-CB 3.23Å; L135-I138 PolarHBondContact O-N 2.88Å; L135-I138 VanDerWaalsContact O-N 3.07Å; L135-C139 PolarHBondContact O-N 2.91Å; L135-C139 PolarHBondContact O-SG 2.67Å; L135-F153 HydrophobicContact CD2-CB 3.6Å; L135-M154 HydrophobicContact CD1-CB 3.68Å; L135-M154 HydrophobicContact CD1-CG 3.6Å; L135-M154 HydrophobicContact CD2-CB 4.3Å; L135-F482 HydrophobicContact CD1-CE2 4.4Å; L135-F482 HydrophobicContact CD2-CD2 3.97Å; L135-F482 HydrophobicContact CD2-CE2 3.52Å; L135-F482 HydrophobicContact CD2-CZ 4.42Å; L135-F482 HydrophobicContact CG-CD2 3.98Å; L135-F482 HydrophobicContact CG-CE2 3.82Å; L135-M542 HydrophobicContact CB-CE 4.33Å; L135-M542 HydrophobicContact CD1-CE 4.43Å
136	E	90.3	Very high	90	Very high	41 Å²	41	39.1 Å²	39.1	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-54.7	-42.7	173.5	-71.2	175	177.3	0	0	109.8	V132 P133 C139 E140 Q537	V132-E136 HydrophobicContact CG1-CG 4.48Å; V132-E136 WeakPolarHBondContact O-CG 3.36Å; V132-E136 PolarHBondContact O-N 3.14Å; P133-E136 PolarHBondContact O-N 2.95Å; E136-C139 WeakPolarHBondContact O-CB 3.47Å; E136-C139 PolarHBondContact O-N 3.26Å; E136-E140 WeakPolarHBondContact O-CG 3.24Å; E136-E140 PolarHBondContact O-N 3.44Å; E136-Q537 VanDerWaalsContact OE1-CD 3.31Å; E136-Q537 PolarHBondContact OE1-NE2 3.01Å; E136-Q537 PolarHBondContact OE1-OE1 2.92Å
137	K	89.1	Confident	90.1	Very high	40 Å²	40	39.8 Å²	39.8	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-35.1	176.4	-154	71.1	-166.1	170.2	0	114.1	P133 S134 L135 C139 E140 R141 E475 F478	P133-K137 PolarHBondContact O-N 2.98Å; P133-K137 VanDerWaalsContact O-N 3.08Å; S134-K137 PolarHBondContact O-N 3.28Å; L135-K137 PolarHBondContact O-N 3.33Å; K137-C139 VanDerWaalsContact C-N 3.33Å; K137-E140 WeakPolarHBondContact CD-OE2 3.49Å; K137-E140 WeakPolarHBondContact CE-OE2 3.49Å; K137-E140 IonicContact NZ-OE2 3.36Å; K137-E140 PolarHBondContact NZ-OE2 2.62Å; K137-E140 PolarHBondContact O-N 2.93Å; K137-R141 HydrophobicContact CG-CG 4.35Å; K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 VanDerWaalsContact O-CG 3.28Å; K137-R141 WeakPolarHBondContact O-CG 3.4Å; K137-R141 PolarHBondContact O-N 2.99Å; K137-E475 HydrophobicContact CD-CG 4.37Å; K137-E475 WeakPolarHBondContact CE-OE1 3.16Å; K137-E475 IonicContact NZ-OE1 2.8Å; K137-E475 PolarHBondContact NZ-OE1 2.77Å; K137-F478 HydrophobicContact CB-CB 3.96Å; K137-F478 HydrophobicContact CB-CG 4.29Å; K137-F478 HydrophobicContact CG-CB 3.9Å; K137-F478 HydrophobicContact CG-CD1 4.34Å; K137-F478 HydrophobicContact CG-CG 4.06Å
138	I	90.6	Very high	90.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-45.2	170.9	-68.9	166.8	0	0	0	109.8	S134 L135 R141 L142 F153 F478 M479 F482	S134-I138 VanDerWaalsContact O-CG1 3.28Å; S134-I138 WeakPolarHBondContact O-CG1 3.37Å; S134-I138 PolarHBondContact O-N 3.41Å; L135-I138 HydrophobicContact CD2-CD1 4.26Å; L135-I138 WeakPolarHBondContact O-CA 3.49Å; L135-I138 WeakPolarHBondContact O-CB 3.23Å; L135-I138 PolarHBondContact O-N 2.88Å; L135-I138 VanDerWaalsContact O-N 3.07Å; I138-R141 PolarHBondContact O-N 3.38Å; I138-L142 HydrophobicContact CG2-CD1 3.74Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CB 3.45Å; I138-L142 PolarHBondContact O-N 3.32Å; I138-F153 HydrophobicContact CG2-CD2 4.18Å; I138-F153 HydrophobicContact CG2-CE2 4.32Å; I138-F153 HydrophobicContact CG2-CG 4.35Å; I138-F478 HydrophobicContact CB-CE2 4.42Å; I138-F478 HydrophobicContact CG1-CD2 3.56Å; I138-F478 HydrophobicContact CG1-CE2 3.68Å; I138-M479 HydrophobicContact CD1-SD 4.04Å; I138-M479 HydrophobicContact CG1-SD 3.9Å; I138-F482 HydrophobicContact CD1-CB 3.91Å; I138-F482 HydrophobicContact CD1-CD1 4.24Å; I138-F482 HydrophobicContact CD1-CD2 3.75Å; I138-F482 HydrophobicContact CD1-CE2 4.39Å; I138-F482 HydrophobicContact CD1-CG 3.67Å
139	C	89.7	Confident	90.5	Very high	17 Å²	17	39.9 Å²	39.9	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-48.9	178.2	-60.1	0	0	0	0	111.4	L135 E136 K137 H143 L144 A149	L135-C139 PolarHBondContact O-N 2.91Å; L135-C139 PolarHBondContact O-SG 2.67Å; E136-C139 WeakPolarHBondContact O-CB 3.47Å; E136-C139 PolarHBondContact O-N 3.26Å; K137-C139 VanDerWaalsContact C-N 3.33Å; C139-H143 WeakPolarHBondContact O-CA 3.42Å; C139-H143 PolarHBondContact O-N 3.02Å; C139-L144 PolarHBondContact O-N 3.1Å; C139-L144 VanDerWaalsContact O-N 3.16Å; C139-A149 WeakPolarHBondContact SG-CB 3.46Å
140	E	88.9	Confident	90.9	Very high	98 Å²	98	39.3 Å²	39.3	46%	0.458	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-47.6	178.8	-72.5	178.5	-176.6	0	0	112.4	E136 K137	E136-E140 WeakPolarHBondContact O-CG 3.24Å; E136-E140 PolarHBondContact O-N 3.44Å; K137-E140 WeakPolarHBondContact CD-OE2 3.49Å; K137-E140 WeakPolarHBondContact CE-OE2 3.49Å; K137-E140 IonicContact NZ-OE2 3.36Å; K137-E140 PolarHBondContact NZ-OE2 2.62Å; K137-E140 PolarHBondContact O-N 2.93Å
141	R	88.8	Confident	91.1	Very high	117 Å²	117	38.4 Å²	38.4	44%	0.442	19%	0.186	S	C	.	.	H	α-helix	trans	-77.9	-34.1	-172.6	-69.2	-66.2	-170.6	124.8	-1.6	113.6	K137 I138 E475 F478	K137-R141 HydrophobicContact CG-CG 4.35Å; K137-R141 WeakPolarHBondContact O-CB 3.35Å; K137-R141 VanDerWaalsContact O-CG 3.28Å; K137-R141 WeakPolarHBondContact O-CG 3.4Å; K137-R141 PolarHBondContact O-N 2.99Å; I138-R141 PolarHBondContact O-N 3.38Å; R141-E475 IonicContact CZ-OE1 2.98Å; R141-E475 IonicContact NE-OE1 2.75Å; R141-E475 IonicContact NH2-OE1 3.22Å; R141-E475 PolarHBondContact NH2-OE1 2.76Å; R141-E475 IonicContact NH2-OE2 2.7Å; R141-F478 HydrophobicContact CB-CE1 4.31Å; R141-F478 HydrophobicContact CB-CZ 3.96Å; R141-F478 HydrophobicContact CG-CE1 3.98Å; R141-F478 HydrophobicContact CG-CZ 4.12Å
142	L	87.5	Confident	91.1	Very high	89 Å²	89	39 Å²	39	47%	0.466	19%	0.19	S	C	.	.	H	α-helix	trans	-91.6	-0.8	177.7	-63.6	-179.4	0	0	0	112.9	I138 L144 F153	I138-L142 HydrophobicContact CG2-CD1 3.74Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CB 3.45Å; I138-L142 PolarHBondContact O-N 3.32Å; L142-L144 HydrophobicContact CB-CD1 3.94Å; L142-L144 HydrophobicContact CB-CG 3.76Å; L142-L144 HydrophobicContact CD1-CD1 3.94Å; L142-L144 PolarHBondContact O-N 3.48Å; L142-F153 HydrophobicContact CD1-CE2 4.33Å; L142-F153 HydrophobicContact CD1-CZ 4.23Å
143	H	86.7	Confident	91.3	Very high	174 Å²	174	41.9 Å²	41.9	81%	0.806	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	37.8	-173.4	-63.2	-72.3	0	0	0	112.7	C139	C139-H143 WeakPolarHBondContact O-CA 3.42Å; C139-H143 PolarHBondContact O-N 3.02Å
144	L	87.9	Confident	91.6	Very high	50 Å²	50	41.6 Å²	41.6	26%	0.262	20%	0.201	S	C	.	.			trans	-81.4	143.6	175.9	-66.1	174.4	0	0	0	109.5	C139 L142 V148 F153	C139-L144 PolarHBondContact O-N 3.1Å; C139-L144 VanDerWaalsContact O-N 3.16Å; L142-L144 HydrophobicContact CB-CD1 3.94Å; L142-L144 HydrophobicContact CB-CG 3.76Å; L142-L144 HydrophobicContact CD1-CD1 3.94Å; L142-L144 PolarHBondContact O-N 3.48Å; L144-V148 HydrophobicContact CD2-CG1 4.26Å; L144-F153 HydrophobicContact CD1-CD2 3.98Å; L144-F153 HydrophobicContact CD1-CE2 3.58Å
145	S	90.3	Very high	91.8	Very high	51 Å²	51	41.6 Å²	41.6	36%	0.357	20%	0.201	S	C	.	.			trans	-70.4	145.6	169.4	63.5	0	0	0	0	109.8	D147 V148 A149	S145-D147 WeakPolarHBondContact CB-OD1 3.27Å; S145-D147 PolarHBondContact O-N 2.94Å; S145-D147 PolarHBondContact OG-OD1 2.65Å; S145-V148 PolarHBondContact O-N 3.46Å; S145-V148 VanDerWaalsContact OG-CG2 3.27Å; S145-V148 WeakPolarHBondContact OG-CG2 3.26Å; S145-A149 PolarHBondContact O-N 3.46Å
146	E	90.7	Very high	91.9	Very high	99 Å²	99	43 Å²	43	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-55.7	-38.5	-175.4	-64.4	170.6	-169.6	0	0	112.3	A149 G150 M539 M542	E146-A149 PolarHBondContact O-N 3.34Å; E146-G150 PolarHBondContact O-N 3.21Å; E146-M539 HydrophobicContact CG-SD 4.24Å; E146-M539 WeakPolarHBondContact OE2-CG 3.24Å; E146-M542 HydrophobicContact CB-CB 4.32Å; E146-M542 WeakPolarHBondContact O-CG 3.2Å
147	D	92.7	Very high	92.1	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-39.5	176	65.1	-51.6	0	0	0	112.4	S145 A151 C211 R214 N257 S545	S145-D147 WeakPolarHBondContact CB-OD1 3.27Å; S145-D147 PolarHBondContact O-N 2.94Å; S145-D147 PolarHBondContact OG-OD1 2.65Å; D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 2.95Å; D147-C211 HydrophobicContact CB-CB 4.29Å; D147-C211 PolarHBondContact OD2-SG 3.22Å; D147-C211 VanDerWaalsContact OD2-SG 3.34Å; D147-R214 IonicContact OD2-CZ 4Å; D147-R214 VanDerWaalsContact OD2-CZ 3.24Å; D147-R214 IonicContact OD2-NH1 3.4Å; D147-R214 PolarHBondContact OD2-NH1 2.55Å; D147-R214 IonicContact OD2-NH2 3.77Å; D147-R214 PolarHBondContact OD2-NH2 3.24Å; D147-N257 PolarHBondContact OD2-ND2 2.71Å; D147-S545 WeakPolarHBondContact O-CB 3.46Å
148	V	94.4	Very high	92.4	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-70.7	-41.1	177.3	169.6	0	0	0	0	110.7	L144 S145 G150 A151 T152 M254 N257	L144-V148 HydrophobicContact CD2-CG1 4.26Å; S145-V148 PolarHBondContact O-N 3.46Å; S145-V148 VanDerWaalsContact OG-CG2 3.27Å; S145-V148 WeakPolarHBondContact OG-CG2 3.26Å; V148-G150 VanDerWaalsContact C-N 3.34Å; V148-A151 PolarHBondContact O-N 3.41Å; V148-T152 WeakPolarHBondContact O-CB 3.4Å; V148-T152 WeakPolarHBondContact O-CG2 3.38Å; V148-T152 PolarHBondContact O-N 3.3Å; V148-T152 PolarHBondContact O-OG1 2.88Å; V148-M254 HydrophobicContact CG1-CB 4.02Å; V148-M254 HydrophobicContact CG2-SD 4.16Å; V148-N257 HydrophobicContact CG2-CB 3.91Å; V148-N257 WeakPolarHBondContact CG2-ND2 3.4Å
149	A	94.1	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-40.8	175.9	0	0	0	0	0	111.9	C139 S145 E146 F153 M154 M542	C139-A149 WeakPolarHBondContact SG-CB 3.46Å; S145-A149 PolarHBondContact O-N 3.46Å; E146-A149 PolarHBondContact O-N 3.34Å; A149-F153 PolarHBondContact O-N 2.88Å; A149-M154 PolarHBondContact O-N 3.32Å; A149-M542 HydrophobicContact CB-CE 4.49Å
150	G	95.3	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-58	-52.8	171.2	0	0	0	0	0	112.1	E146 V148 T152 M154 A155 N546	E146-G150 PolarHBondContact O-N 3.21Å; V148-G150 VanDerWaalsContact C-N 3.34Å; G150-T152 PolarHBondContact O-N 2.98Å; G150-T152 VanDerWaalsContact O-N 3.13Å; G150-M154 WeakPolarHBondContact O-CB 3.38Å; G150-A155 PolarHBondContact O-N 3.1Å; G150-A155 VanDerWaalsContact O-N 3.14Å; G150-N546 PolarHBondContact O-OD1 3.49Å
151	A	95.2	Very high	92.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	18%	0.177	C	C	.	.	I	π-helix	trans	-73.4	-4.9	-174.4	0	0	0	0	0	115.1	D147 V148 Y250 S545	D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 2.95Å; V148-A151 PolarHBondContact O-N 3.41Å; A151-Y250 WeakPolarHBondContact CB-OH 3.47Å; A151-Y250 PolarHBondContact O-OH 3.13Å; A151-S545 WeakPolarHBondContact CA-O 3.34Å
152	T	94.9	Very high	92.9	Very high	12 Å²	12	29.3 Å²	29.3	7%	0.074	16%	0.156	C	C	.	.	I	π-helix	trans	-130.3	-72.4	-174.7	60.8	0	0	0	0	112.8	V148 G150 A156 Y250 I251 M254	V148-T152 WeakPolarHBondContact O-CB 3.4Å; V148-T152 WeakPolarHBondContact O-CG2 3.38Å; V148-T152 PolarHBondContact O-N 3.3Å; V148-T152 PolarHBondContact O-OG1 2.88Å; G150-T152 PolarHBondContact O-N 2.98Å; G150-T152 VanDerWaalsContact O-N 3.13Å; T152-A156 WeakPolarHBondContact O-CB 3.47Å; T152-A156 PolarHBondContact O-N 3.15Å; T152-Y250 HydrophobicContact CG2-CE1 4.24Å; T152-I251 HydrophobicContact CG2-CD1 3.53Å; T152-M254 HydrophobicContact CG2-CB 4.19Å; T152-M254 HydrophobicContact CG2-CG 4.06Å
153	F	95.2	Very high	93.1	Very high	61 Å²	61	26.9 Å²	26.9	27%	0.268	14%	0.143	S	C	.	.	I	π-helix	trans	-71.5	-46.2	-176.2	-73.7	-79.7	0	0	0	111.8	L135 I138 L142 L144 A149 G157 F482	L135-F153 HydrophobicContact CD2-CB 3.6Å; I138-F153 HydrophobicContact CG2-CD2 4.18Å; I138-F153 HydrophobicContact CG2-CE2 4.32Å; I138-F153 HydrophobicContact CG2-CG 4.35Å; L142-F153 HydrophobicContact CD1-CE2 4.33Å; L142-F153 HydrophobicContact CD1-CZ 4.23Å; L144-F153 HydrophobicContact CD1-CD2 3.98Å; L144-F153 HydrophobicContact CD1-CE2 3.58Å; A149-F153 PolarHBondContact O-N 2.88Å; F153-G157 PolarHBondContact O-N 3.02Å; F153-F482 HydrophobicContact CB-CZ 4.34Å; F153-F482 VanDerWaalsContact O-CZ 3.23Å; F153-F482 WeakPolarHBondContact O-CZ 3.46Å
154	M	95.9	Very high	93.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-61.8	-52.1	177	-167.9	-177.9	171	0	0	109.6	F131 L135 A149 G150 A156 G157 S158 A530 V534 M542 N546	F131-M154 HydrophobicContact CE1-CG 3.99Å; F131-M154 HydrophobicContact CZ-CG 4.45Å; L135-M154 HydrophobicContact CD1-CB 3.68Å; L135-M154 HydrophobicContact CD1-CG 3.6Å; L135-M154 HydrophobicContact CD2-CB 4.3Å; A149-M154 PolarHBondContact O-N 3.32Å; G150-M154 WeakPolarHBondContact O-CB 3.38Å; M154-A156 PolarHBondContact O-N 3.43Å; M154-G157 PolarHBondContact O-N 3.29Å; M154-S158 PolarHBondContact O-N 3.29Å; M154-S158 PolarHBondContact O-OG 3.28Å; M154-A530 HydrophobicContact CE-CB 3.35Å; M154-A530 VanDerWaalsContact CE-O 3.29Å; M154-A530 WeakPolarHBondContact CE-O 3.45Å; M154-V534 HydrophobicContact CE-CG1 4.12Å; M154-V534 HydrophobicContact CE-CG2 3.83Å; M154-V534 HydrophobicContact SD-CG1 4.49Å; M154-V534 HydrophobicContact SD-CG2 4.4Å; M154-M542 HydrophobicContact CB-CE 4.43Å; M154-M542 HydrophobicContact SD-CE 3.75Å; M154-M542 HydrophobicContact SD-CG 4Å; M154-M542 HydrophobicContact SD-SD 4.47Å; M154-N546 WeakPolarHBondContact CB-OD1 3.18Å; M154-N546 HydrophobicContact CE-CB 3.97Å; M154-N546 HydrophobicContact CG-CB 4.23Å; M154-N546 WeakPolarHBondContact CG-OD1 3.25Å; M154-N546 HydrophobicContact SD-CB 3.61Å; M154-N546 VanDerWaalsContact SD-CG 3.57Å
155	A	96.5	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-51.8	-52.2	176.5	0	0	0	0	0	113	G150 G157 S159 N546	G150-A155 PolarHBondContact O-N 3.1Å; G150-A155 VanDerWaalsContact O-N 3.14Å; A155-G157 VanDerWaalsContact C-N 3.28Å; A155-G157 PolarHBondContact O-N 3.03Å; A155-S159 WeakPolarHBondContact O-CB 3.42Å; A155-S159 PolarHBondContact O-N 2.94Å; A155-S159 PolarHBondContact O-OG 3.4Å; A155-N546 VanDerWaalsContact CA-OD1 3.27Å; A155-N546 WeakPolarHBondContact CA-OD1 3.46Å; A155-N546 PolarHBondContact N-OD1 3.3Å
156	A	95.1	Very high	92.9	Very high	31 Å²	31	19.7 Å²	19.7	26%	0.256	10%	0.104	S	C	.	.	H	α-helix	trans	-65	-32.1	-179.6	0	0	0	0	0	113.3	T152 M154 F553	T152-A156 WeakPolarHBondContact O-CB 3.47Å; T152-A156 PolarHBondContact O-N 3.15Å; M154-A156 PolarHBondContact O-N 3.43Å; A156-F553 HydrophobicContact CB-CD2 4.02Å; A156-F553 HydrophobicContact CB-CE2 3.74Å; A156-F553 HydrophobicContact CB-CZ 4.25Å
157	G	94.9	Very high	92.8	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-77.6	-43.6	179.6	0	0	0	0	0	113	F153 M154 A155 A160 T486	F153-G157 PolarHBondContact O-N 3.02Å; M154-G157 PolarHBondContact O-N 3.29Å; A155-G157 VanDerWaalsContact C-N 3.28Å; A155-G157 PolarHBondContact O-N 3.03Å; G157-A160 WeakPolarHBondContact O-CB 3.39Å; G157-T486 WeakPolarHBondContact O-CG2 3.47Å
158	S	94.1	Very high	92.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-77.5	-31.7	-179.7	52.8	0	0	0	0	113.1	M154 A160 P161 D527	M154-S158 PolarHBondContact O-N 3.29Å; M154-S158 PolarHBondContact O-OG 3.28Å; S158-A160 VanDerWaalsContact C-N 3.31Å; S158-A160 PolarHBondContact O-N 2.93Å; S158-P161 WeakPolarHBondContact O-CD 3.17Å; S158-D527 WeakPolarHBondContact CB-OD1 3.41Å; S158-D527 PolarHBondContact OG-OD1 2.94Å
159	S	94.3	Very high	91.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.9	174.4	-66.3	0	0	0	0	114.9	A155 P161 E162 L163 D527 S550 D554	A155-S159 WeakPolarHBondContact O-CB 3.42Å; A155-S159 PolarHBondContact O-N 2.94Å; A155-S159 PolarHBondContact O-OG 3.4Å; S159-P161 VanDerWaalsContact C-N 3.31Å; S159-E162 VanDerWaalsContact CA-OE2 3.3Å; S159-E162 WeakPolarHBondContact CA-OE2 3.28Å; S159-E162 WeakPolarHBondContact CB-OE2 3.47Å; S159-E162 WeakPolarHBondContact O-CB 3.31Å; S159-E162 PolarHBondContact O-N 3.4Å; S159-E162 VanDerWaalsContact O-N 3.09Å; S159-E162 PolarHBondContact OG-OE2 3.25Å; S159-L163 PolarHBondContact O-N 3.43Å; S159-D527 PolarHBondContact OG-OD1 3.42Å; S159-S550 WeakPolarHBondContact OG-CB 3.41Å; S159-S550 PolarHBondContact OG-OG 3.34Å; S159-D554 WeakPolarHBondContact CB-OD1 3.34Å
160	A	92.7	Very high	91.4	Very high	19 Å²	19	17.9 Å²	17.9	16%	0.157	10%	0.099	C	C	.	.	H	α-helix	trans	-53.9	-38.2	174.3	0	0	0	0	0	114.2	G157 S158 F164 T486 A490	G157-A160 WeakPolarHBondContact O-CB 3.39Å; S158-A160 VanDerWaalsContact C-N 3.31Å; S158-A160 PolarHBondContact O-N 2.93Å; A160-F164 PolarHBondContact O-N 3.44Å; A160-T486 HydrophobicContact CB-CG2 3.75Å; A160-A490 HydrophobicContact CB-CB 4.46Å
161	P	90.3	Very high	91	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-39.5	173.2	-15.8	28.3	0	0	0	113.6	S158 S159 F164 T165 I489 S493 P526	S158-P161 WeakPolarHBondContact O-CD 3.17Å; S159-P161 VanDerWaalsContact C-N 3.31Å; P161-F164 PolarHBondContact O-N 3.5Å; P161-T165 WeakPolarHBondContact O-CG2 3.15Å; P161-T165 PolarHBondContact O-N 3.44Å; P161-T165 PolarHBondContact O-OG1 3.24Å; P161-I489 HydrophobicContact CG-CG2 4.02Å; P161-S493 WeakPolarHBondContact CB-OG 3.4Å; P161-P526 HydrophobicContact CG-CG 4.15Å
162	E	91.5	Very high	90.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.2	-65.2	165.5	149.1	0	0	109.7	S159 F164 T165 S166 S185 S524 D554	S159-E162 VanDerWaalsContact CA-OE2 3.3Å; S159-E162 WeakPolarHBondContact CA-OE2 3.28Å; S159-E162 WeakPolarHBondContact CB-OE2 3.47Å; S159-E162 WeakPolarHBondContact O-CB 3.31Å; S159-E162 PolarHBondContact O-N 3.4Å; S159-E162 VanDerWaalsContact O-N 3.09Å; S159-E162 PolarHBondContact OG-OE2 3.25Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 3.39Å; E162-T165 PolarHBondContact O-N 3.5Å; E162-T165 PolarHBondContact O-OG1 3.02Å; E162-S166 WeakPolarHBondContact O-CB 3.36Å; E162-S166 PolarHBondContact O-N 2.85Å; E162-S185 VanDerWaalsContact OE1-CB 3.3Å; E162-S185 WeakPolarHBondContact OE1-CB 3.36Å; E162-S185 PolarHBondContact OE1-OG 3.04Å; E162-S524 PolarHBondContact OE1-OG 2.78Å; E162-D554 VanDerWaalsContact OE2-OD1 3.13Å
163	L	91.8	Very high	89	Confident	38 Å²	38	27.7 Å²	27.7	20%	0.199	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-45	172.3	175.8	62.6	0	0	0	112.1	S159 S166 V167 F553 I557 P562	S159-L163 PolarHBondContact O-N 3.43Å; L163-S166 PolarHBondContact O-N 3.3Å; L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 VanDerWaalsContact O-CG2 3.27Å; L163-V167 WeakPolarHBondContact O-CG2 3.37Å; L163-V167 PolarHBondContact O-N 2.96Å; L163-F553 HydrophobicContact CB-CE1 4.25Å; L163-F553 HydrophobicContact CD2-CE1 4.42Å; L163-F553 HydrophobicContact CD2-CZ 4.18Å; L163-I557 HydrophobicContact CD1-CG2 4.27Å; L163-I557 HydrophobicContact CD2-CG2 4.47Å; L163-P562 HydrophobicContact CD1-CG 4.34Å
164	F	87.6	Confident	87.9	Confident	99 Å²	99	33 Å²	33	43%	0.434	17%	0.171	S	C	.	.	H	α-helix	trans	-65.8	-44	-179	-172.7	-108.9	0	0	0	112.5	A160 P161 E162 S166 V167 I168 Y494	A160-F164 PolarHBondContact O-N 3.44Å; P161-F164 PolarHBondContact O-N 3.5Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 3.39Å; F164-S166 VanDerWaalsContact C-N 3.32Å; F164-S166 PolarHBondContact O-N 2.92Å; F164-V167 PolarHBondContact O-N 3.42Å; F164-I168 HydrophobicContact CD1-CD1 3.7Å; F164-I168 HydrophobicContact CE1-CD1 3.24Å; F164-I168 HydrophobicContact CE1-CG1 4.31Å; F164-I168 HydrophobicContact CE2-CD1 4.38Å; F164-I168 HydrophobicContact CG-CD1 4.45Å; F164-I168 HydrophobicContact CZ-CD1 3.63Å; F164-I168 HydrophobicContact CZ-CG1 4.38Å; F164-I168 WeakPolarHBondContact O-CG1 3.5Å; F164-I168 PolarHBondContact O-N 3.1Å; F164-Y494 HydrophobicContact CD1-CD2 4.26Å; F164-Y494 AromaticContact CE1-CD2 3.72Å; F164-Y494 HydrophobicContact CE1-CD2 3.72Å; F164-Y494 HydrophobicContact CE1-CE2 4.19Å; F164-Y494 HydrophobicContact CE1-CG 4.38Å
165	T	85.2	Confident	86.5	Confident	25 Å²	25	34.5 Å²	34.5	15%	0.153	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-36.7	176	57.7	0	0	0	0	112.1	P161 E162 I168 G169 T523	P161-T165 WeakPolarHBondContact O-CG2 3.15Å; P161-T165 PolarHBondContact O-N 3.44Å; P161-T165 PolarHBondContact O-OG1 3.24Å; E162-T165 PolarHBondContact O-N 3.5Å; E162-T165 PolarHBondContact O-OG1 3.02Å; T165-I168 PolarHBondContact O-N 3.37Å; T165-G169 PolarHBondContact O-N 3Å; T165-T523 HydrophobicContact CG2-CG2 3.66Å
166	S	87.9	Confident	85.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-43.6	173.6	-179.4	0	0	0	0	112.8	E162 L163 F164 I168 G169 V170 I182 G558	E162-S166 WeakPolarHBondContact O-CB 3.36Å; E162-S166 PolarHBondContact O-N 2.85Å; L163-S166 PolarHBondContact O-N 3.3Å; F164-S166 VanDerWaalsContact C-N 3.32Å; F164-S166 PolarHBondContact O-N 2.92Å; S166-I168 VanDerWaalsContact C-N 3.32Å; S166-I168 PolarHBondContact O-N 3.37Å; S166-G169 PolarHBondContact O-N 3.27Å; S166-V170 WeakPolarHBondContact O-CG2 3.46Å; S166-V170 PolarHBondContact O-N 3.34Å; S166-I182 VanDerWaalsContact CB-CD1 3.48Å; S166-I182 WeakPolarHBondContact OG-CD1 3.48Å; S166-G558 VanDerWaalsContact CB-O 3.27Å; S166-G558 WeakPolarHBondContact CB-O 3.33Å; S166-G558 PolarHBondContact OG-O 3.3Å
167	V	89.2	Confident	84.2	Confident	42 Å²	42	37.2 Å²	37.2	26%	0.255	20%	0.198	S	C	.	.	H	α-helix	trans	-56.9	-47.7	173.2	171.1	0	0	0	0	110.2	L163 F164 G169 V170 F171 P562	L163-V167 HydrophobicContact CD1-CG2 4.27Å; L163-V167 VanDerWaalsContact O-CG2 3.27Å; L163-V167 WeakPolarHBondContact O-CG2 3.37Å; L163-V167 PolarHBondContact O-N 2.96Å; F164-V167 PolarHBondContact O-N 3.42Å; V167-G169 PolarHBondContact O-N 3.47Å; V167-V170 PolarHBondContact O-N 3.39Å; V167-F171 HydrophobicContact CG1-CD2 4.1Å; V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 VanDerWaalsContact O-CD2 3.28Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å; V167-F171 PolarHBondContact O-N 2.83Å; V167-P562 HydrophobicContact CB-CG 4.49Å; V167-P562 HydrophobicContact CG2-CB 4.37Å; V167-P562 HydrophobicContact CG2-CG 3.67Å
168	I	84.5	Confident	83.3	Confident	32 Å²	32	37.3 Å²	37.3	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-46.6	176.9	-74.4	172.4	0	0	0	111	F164 T165 S166 V170 F171 I172 Y494	F164-I168 HydrophobicContact CD1-CD1 3.7Å; F164-I168 HydrophobicContact CE1-CD1 3.24Å; F164-I168 HydrophobicContact CE1-CG1 4.31Å; F164-I168 HydrophobicContact CE2-CD1 4.38Å; F164-I168 HydrophobicContact CG-CD1 4.45Å; F164-I168 HydrophobicContact CZ-CD1 3.63Å; F164-I168 HydrophobicContact CZ-CG1 4.38Å; F164-I168 WeakPolarHBondContact O-CG1 3.5Å; F164-I168 PolarHBondContact O-N 3.1Å; T165-I168 PolarHBondContact O-N 3.37Å; S166-I168 VanDerWaalsContact C-N 3.32Å; S166-I168 PolarHBondContact O-N 3.37Å; I168-V170 PolarHBondContact O-N 3.04Å; I168-F171 PolarHBondContact O-N 3.44Å; I168-I172 HydrophobicContact CG2-CB 4.48Å; I168-I172 HydrophobicContact CG2-CD1 4.01Å; I168-I172 HydrophobicContact CG2-CG1 4.35Å; I168-I172 VanDerWaalsContact O-CB 3.29Å; I168-I172 WeakPolarHBondContact O-CB 3.45Å; I168-I172 PolarHBondContact O-N 3.22Å; I168-Y494 HydrophobicContact CD1-CE2 4.41Å
169	G	82	Confident	82.8	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.031	20%	0.2	C	C	.	.	I	π-helix	trans	-55.6	-50	178.2	0	0	0	0	0	112	T165 S166 V167 T173 K174	T165-G169 PolarHBondContact O-N 3Å; S166-G169 PolarHBondContact O-N 3.27Å; V167-G169 PolarHBondContact O-N 3.47Å; G169-T173 WeakPolarHBondContact O-CB 3.35Å; G169-T173 PolarHBondContact O-N 2.92Å; G169-T173 PolarHBondContact O-OG1 3.48Å; G169-K174 PolarHBondContact O-N 3.03Å
170	V	85.2	Confident	82.3	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.042	21%	0.207	C	C	.	.	I	π-helix	trans	-67.7	-42.5	-177.3	172.6	0	0	0	0	112.4	S166 V167 I168 P562 Q566	S166-V170 WeakPolarHBondContact O-CG2 3.46Å; S166-V170 PolarHBondContact O-N 3.34Å; V167-V170 PolarHBondContact O-N 3.39Å; I168-V170 PolarHBondContact O-N 3.04Å; V170-P562 HydrophobicContact CB-CB 3.98Å; V170-P562 HydrophobicContact CG1-CB 4.18Å; V170-P562 HydrophobicContact CG2-CB 3.85Å; V170-Q566 HydrophobicContact CG1-CB 3.92Å; V170-Q566 HydrophobicContact CG1-CG 4.35Å; V170-Q566 PolarHBondContact O-NE2 2.85Å
171	F	86.5	Confident	82	Confident	68 Å²	68	37.6 Å²	37.6	30%	0.298	20%	0.202	S	C	.	.	I	π-helix	trans	-85.3	-34.7	-174.1	-79.9	-97.3	0	0	0	114.3	V167 I168 L565 Q566 V570	V167-F171 HydrophobicContact CG1-CD2 4.1Å; V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 VanDerWaalsContact O-CD2 3.28Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å; V167-F171 PolarHBondContact O-N 2.83Å; I168-F171 PolarHBondContact O-N 3.44Å; F171-L565 HydrophobicContact CE1-CD2 4.37Å; F171-L565 HydrophobicContact CE1-CG 4.47Å; F171-L565 HydrophobicContact CE2-CB 4.24Å; F171-L565 HydrophobicContact CE2-CD2 3.92Å; F171-L565 HydrophobicContact CE2-CG 4.3Å; F171-L565 HydrophobicContact CZ-CB 3.83Å; F171-L565 HydrophobicContact CZ-CD2 3.5Å; F171-L565 HydrophobicContact CZ-CG 3.58Å; F171-Q566 HydrophobicContact CZ-CB 4.24Å; F171-V570 HydrophobicContact CD1-CG2 4.3Å; F171-V570 HydrophobicContact CE1-CG2 3.48Å; F171-V570 VanDerWaalsContact CE1-CG2 3.48Å; F171-V570 HydrophobicContact CZ-CG2 4.24Å
172	I	81	Confident	82	Confident	111 Å²	111	37.5 Å²	37.5	57%	0.569	20%	0.201	S	C	*	.	I	π-helix	trans	-97.2	-56.2	-174.3	-54.4	-168.5	0	0	0	110.8	I168 K174	I168-I172 HydrophobicContact CG2-CB 4.48Å; I168-I172 HydrophobicContact CG2-CD1 4.01Å; I168-I172 HydrophobicContact CG2-CG1 4.35Å; I168-I172 VanDerWaalsContact O-CB 3.29Å; I168-I172 WeakPolarHBondContact O-CB 3.45Å; I168-I172 PolarHBondContact O-N 3.22Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 3.38Å
173	T	68.6	Low	81.8	Confident	41 Å²	41	37.7 Å²	37.7	25%	0.252	20%	0.202	S	C	.	.	I	π-helix	trans	-76.3	-24.1	-172.4	76.5	0	0	0	0	112.9	E93 G169 G175	E93-T173 HydrophobicContact CG-CG2 3.92Å; E93-T173 WeakPolarHBondContact OE1-CG2 3.48Å; G169-T173 WeakPolarHBondContact O-CB 3.35Å; G169-T173 PolarHBondContact O-N 2.92Å; G169-T173 PolarHBondContact O-OG1 3.48Å; T173-G175 PolarHBondContact O-N 3.25Å; T173-G175 PolarHBondContact OG1-N 3.08Å
174	K	71.4	Confident	81.7	Confident	171 Å²	171	36 Å²	36	74%	0.743	19%	0.194	S	C	*	.			trans	46	32.3	-170.5	-61.9	-175.4	177.5	-177.9	0	112.3	G169 I172	G169-K174 PolarHBondContact O-N 3.03Å; I172-K174 VanDerWaalsContact C-N 3.35Å; I172-K174 PolarHBondContact O-N 3.38Å
175	G	67	Low	81.9	Confident	32 Å²	32	31.2 Å²	31.2	33%	0.33	17%	0.173	S	C	.	.	S	Bend	trans	-133.6	175	-174.6	0	0	0	0	0	112.4	T173 V177	T173-G175 PolarHBondContact O-N 3.25Å; T173-G175 PolarHBondContact OG1-N 3.08Å; G175-V177 PolarHBondContact O-N 2.98Å
176	D	70.7	Confident	82.3	Confident	51 Å²	51	30 Å²	30	27%	0.273	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	0.2	-174.5	-61	-50.7	0	0	0	114.1	G178 V179 G180 L578 N579	D176-G178 VanDerWaalsContact C-N 3.3Å; D176-G178 PolarHBondContact O-N 2.91Å; D176-V179 PolarHBondContact O-N 3.43Å; D176-V179 VanDerWaalsContact O-N 3.11Å; D176-G180 PolarHBondContact O-N 3.37Å; D176-L578 WeakPolarHBondContact OD1-CA 3.46Å; D176-L578 VanDerWaalsContact OD1-CD2 3.24Å; D176-L578 WeakPolarHBondContact OD1-CD2 3.46Å; D176-N579 PolarHBondContact OD1-N 2.91Å; D176-N579 WeakPolarHBondContact OD2-CA 3.28Å; D176-N579 WeakPolarHBondContact OD2-CB 3.46Å; D176-N579 PolarHBondContact OD2-N 3.31Å
177	V	71.3	Confident	82.4	Confident	38 Å²	38	30 Å²	30	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-44.3	-178	-178.8	0	0	0	0	110.8	G175 V179 G180 T181	G175-V177 PolarHBondContact O-N 2.98Å; V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 2.96Å; V177-G180 PolarHBondContact O-N 3.36Å; V177-T181 PolarHBondContact O-N 3.01Å; V177-T181 PolarHBondContact O-OG1 3.45Å
178	G	77.3	Confident	82.6	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.1	0	0	0	0	0	113.2	D176 I182	D176-G178 VanDerWaalsContact C-N 3.3Å; D176-G178 PolarHBondContact O-N 2.91Å; G178-I182 PolarHBondContact O-N 3.48Å
179	V	83.6	Confident	83	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-71.1	-39.8	177	-166.8	0	0	0	0	110.8	D176 V177 T181 I182 V183 L559 W563 L578 L583	D176-V179 PolarHBondContact O-N 3.43Å; D176-V179 VanDerWaalsContact O-N 3.11Å; V177-V179 VanDerWaalsContact C-N 3.32Å; V177-V179 PolarHBondContact O-N 2.96Å; V179-T181 PolarHBondContact O-N 3.13Å; V179-I182 PolarHBondContact O-N 3.49Å; V179-V183 HydrophobicContact CG1-CG2 4.41Å; V179-V183 WeakPolarHBondContact O-CG2 3.39Å; V179-V183 PolarHBondContact O-N 3.17Å; V179-L559 HydrophobicContact CB-CD2 4.27Å; V179-L559 HydrophobicContact CG1-CD1 4.31Å; V179-L559 HydrophobicContact CG1-CD2 4.07Å; V179-L559 HydrophobicContact CG2-CD2 4.03Å; V179-W563 HydrophobicContact CG2-CZ2 3.88Å; V179-L578 HydrophobicContact CG2-CD2 3.95Å; V179-L583 HydrophobicContact CB-CD1 4.46Å; V179-L583 HydrophobicContact CG1-CD1 3.63Å; V179-L583 HydrophobicContact CG1-CD2 3.95Å; V179-L583 HydrophobicContact CG1-CG 4.44Å
180	G	82.4	Confident	83.5	Confident	14 Å²	14	27.5 Å²	27.5	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-44.3	175	0	0	0	0	0	112.7	D176 V177 V183 G184	D176-G180 PolarHBondContact O-N 3.37Å; V177-G180 PolarHBondContact O-N 3.36Å; G180-V183 PolarHBondContact O-N 2.86Å; G180-G184 PolarHBondContact O-N 2.9Å
181	T	87.1	Confident	83.9	Confident	8 Å²	8	27.4 Å²	27.4	5%	0.049	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-47.4	175.3	-56.1	0	0	0	0	111.4	V177 V179 V183 G184 S185 L519 T523	V177-T181 PolarHBondContact O-N 3.01Å; V177-T181 PolarHBondContact O-OG1 3.45Å; V179-T181 PolarHBondContact O-N 3.13Å; T181-V183 PolarHBondContact O-N 3.09Å; T181-G184 PolarHBondContact O-N 3.09Å; T181-S185 WeakPolarHBondContact O-CB 3.33Å; T181-S185 PolarHBondContact O-N 3.17Å; T181-S185 PolarHBondContact O-OG 3.36Å; T181-L519 HydrophobicContact CG2-CB 4.46Å; T181-T523 HydrophobicContact CG2-CG2 4.49Å
182	I	89.9	Confident	84.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-43	178.8	-76.1	176.9	0	0	0	112	S166 G178 V179 S185 A186 D554 L559	S166-I182 VanDerWaalsContact CB-CD1 3.48Å; S166-I182 WeakPolarHBondContact OG-CD1 3.48Å; G178-I182 PolarHBondContact O-N 3.48Å; V179-I182 PolarHBondContact O-N 3.49Å; I182-S185 PolarHBondContact O-N 3.42Å; I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 2.97Å; I182-D554 HydrophobicContact CG2-CB 3.96Å; I182-L559 HydrophobicContact CB-CD2 4.31Å; I182-L559 HydrophobicContact CB-CG 4.49Å; I182-L559 HydrophobicContact CD1-CD2 3.47Å; I182-L559 VanDerWaalsContact CD1-CD2 3.47Å; I182-L559 HydrophobicContact CD1-CG 3.67Å; I182-L559 HydrophobicContact CG1-CD2 4.4Å; I182-L559 HydrophobicContact CG2-CD1 4.08Å; I182-L559 HydrophobicContact CG2-CD2 4.43Å; I182-L559 HydrophobicContact CG2-CG 4.08Å
183	V	87.5	Confident	85	Confident	4 Å²	4	19.6 Å²	19.6	2%	0.024	11%	0.112	C	C	.	.	H	α-helix	trans	-67.3	-41.2	178.9	171.8	0	0	0	0	111.2	V179 G180 T181 A186 V187 L583 V587 L590	V179-V183 HydrophobicContact CG1-CG2 4.41Å; V179-V183 WeakPolarHBondContact O-CG2 3.39Å; V179-V183 PolarHBondContact O-N 3.17Å; G180-V183 PolarHBondContact O-N 2.86Å; T181-V183 PolarHBondContact O-N 3.09Å; V183-A186 PolarHBondContact O-N 2.63Å; V183-V187 PolarHBondContact O-N 3.04Å; V183-L583 HydrophobicContact CG2-CD1 3.99Å; V183-V587 HydrophobicContact CG1-CG2 4.4Å; V183-V587 HydrophobicContact CG2-CG2 3.78Å; V183-L590 HydrophobicContact CB-CD1 4.37Å; V183-L590 HydrophobicContact CG1-CD1 3.87Å; V183-L590 HydrophobicContact CG1-CG 4.17Å; V183-L590 HydrophobicContact CG2-CD1 4.22Å
184	G	89.5	Confident	86.1	Confident	2 Å²	2	18 Å²	18	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-47.7	174	0	0	0	0	0	112.3	G180 T181 A186 V187 F188 I516	G180-G184 PolarHBondContact O-N 2.9Å; T181-G184 PolarHBondContact O-N 3.09Å; G184-A186 VanDerWaalsContact C-N 3.32Å; G184-A186 PolarHBondContact O-N 3.44Å; G184-V187 PolarHBondContact O-N 2.84Å; G184-F188 PolarHBondContact O-N 3.22Å; G184-I516 WeakPolarHBondContact CA-O 3.43Å
185	S	92.2	Very high	87.3	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-41.2	177.3	-78.3	0	0	0	0	111.7	E162 T181 I182 V187 F188 N189 A520 T523 S524	E162-S185 VanDerWaalsContact OE1-CB 3.3Å; E162-S185 WeakPolarHBondContact OE1-CB 3.36Å; E162-S185 PolarHBondContact OE1-OG 3.04Å; T181-S185 WeakPolarHBondContact O-CB 3.33Å; T181-S185 PolarHBondContact O-N 3.17Å; T181-S185 PolarHBondContact O-OG 3.36Å; I182-S185 PolarHBondContact O-N 3.42Å; S185-V187 PolarHBondContact O-N 2.88Å; S185-F188 CarbonylContact O-C 3.6Å; S185-F188 WeakPolarHBondContact O-CB 3.36Å; S185-F188 PolarHBondContact O-N 2.87Å; S185-F188 VanDerWaalsContact O-N 3.14Å; S185-N189 VanDerWaalsContact O-CB 3.31Å; S185-N189 WeakPolarHBondContact O-CB 3.26Å; S185-N189 PolarHBondContact O-N 3.1Å; S185-N189 PolarHBondContact O-OD1 2.8Å; S185-A520 VanDerWaalsContact OG-CA 3.29Å; S185-A520 WeakPolarHBondContact OG-CA 3.4Å; S185-A520 PolarHBondContact OG-O 2.95Å; S185-T523 PolarHBondContact OG-OG1 2.9Å; S185-S524 VanDerWaalsContact CB-OG 3.23Å; S185-S524 WeakPolarHBondContact CB-OG 3.25Å; S185-S524 PolarHBondContact OG-OG 2.94Å
186	A	92.8	Very high	88.5	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-37.6	-180	0	0	0	0	0	113.4	I182 V183 G184 I190 N551 L590	I182-A186 WeakPolarHBondContact O-CB 3.25Å; I182-A186 PolarHBondContact O-N 2.97Å; V183-A186 PolarHBondContact O-N 2.63Å; G184-A186 VanDerWaalsContact C-N 3.32Å; G184-A186 PolarHBondContact O-N 3.44Å; A186-I190 PolarHBondContact O-N 3.02Å; A186-I190 VanDerWaalsContact O-N 3.14Å; A186-N551 WeakPolarHBondContact CA-OD1 3.28Å; A186-N551 HydrophobicContact CB-CB 4.3Å; A186-N551 PolarHBondContact O-ND2 3.23Å; A186-L590 HydrophobicContact CB-CD1 4.36Å; A186-L590 HydrophobicContact CB-CD2 3.46Å; A186-L590 VanDerWaalsContact CB-CD2 3.46Å
187	V	91.7	Very high	89.6	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69.5	-42.2	172.7	-177.3	0	0	0	0	111.4	V183 G184 S185 N189 I190 L191 L590 Y620 F623	V183-V187 PolarHBondContact O-N 3.04Å; G184-V187 PolarHBondContact O-N 2.84Å; S185-V187 PolarHBondContact O-N 2.88Å; V187-N189 VanDerWaalsContact C-N 3.29Å; V187-N189 PolarHBondContact O-N 3.2Å; V187-I190 PolarHBondContact O-N 3.35Å; V187-L191 HydrophobicContact CG1-CD1 3.61Å; V187-L191 HydrophobicContact CG1-CG 4.32Å; V187-L191 WeakPolarHBondContact O-CB 3.12Å; V187-L191 PolarHBondContact O-N 3.19Å; V187-L590 HydrophobicContact CB-CD2 4.33Å; V187-L590 HydrophobicContact CG2-CD2 3.31Å; V187-L590 HydrophobicContact CG2-CG 4.1Å; V187-Y620 HydrophobicContact CG1-CD2 4.44Å; V187-F623 HydrophobicContact CB-CD1 4.18Å; V187-F623 HydrophobicContact CB-CE1 3.76Å; V187-F623 HydrophobicContact CB-CZ 3.95Å; V187-F623 HydrophobicContact CG1-CD1 3.45Å; V187-F623 VanDerWaalsContact CG1-CD1 3.45Å; V187-F623 HydrophobicContact CG1-CD2 4.1Å; V187-F623 HydrophobicContact CG1-CE1 3.56Å; V187-F623 HydrophobicContact CG1-CE2 4.19Å; V187-F623 HydrophobicContact CG1-CG 3.74Å; V187-F623 HydrophobicContact CG1-CZ 3.95Å; V187-F623 HydrophobicContact CG2-CE1 3.88Å; V187-F623 HydrophobicContact CG2-CE2 3.85Å; V187-F623 HydrophobicContact CG2-CZ 3.51Å
188	F	92.3	Very high	90.7	Very high	22 Å²	22	4.9 Å²	4.9	10%	0.096	3%	0.032	C	C	.	.	I	π-helix	trans	-57.1	-44.8	174.8	-174.5	-86.4	0	0	0	111	G184 S185 C192 I193 A521 C528 Y620	G184-F188 PolarHBondContact O-N 3.22Å; S185-F188 CarbonylContact O-C 3.6Å; S185-F188 WeakPolarHBondContact O-CB 3.36Å; S185-F188 PolarHBondContact O-N 2.87Å; S185-F188 VanDerWaalsContact O-N 3.14Å; F188-C192 HydrophobicContact CD1-CB 4.07Å; F188-C192 HydrophobicContact CD2-CB 3.72Å; F188-C192 HydrophobicContact CE1-CB 4.1Å; F188-C192 HydrophobicContact CE2-CB 3.76Å; F188-C192 WeakPolarHBondContact CE2-SG 3.42Å; F188-C192 HydrophobicContact CG-CB 3.88Å; F188-C192 HydrophobicContact CZ-CB 3.95Å; F188-C192 VanDerWaalsContact CZ-SG 3.53Å; F188-C192 VanDerWaalsContact O-CA 3.26Å; F188-C192 WeakPolarHBondContact O-CA 3.42Å; F188-C192 WeakPolarHBondContact O-CB 3.33Å; F188-C192 PolarHBondContact O-N 3.29Å; F188-I193 HydrophobicContact CD1-CG1 4.23Å; F188-I193 HydrophobicContact CE1-CG1 4.15Å; F188-I193 PolarHBondContact O-N 3.43Å; F188-I193 VanDerWaalsContact O-N 3.16Å; F188-A521 HydrophobicContact CD2-CB 3.94Å; F188-A521 HydrophobicContact CE2-CB 3.65Å; F188-A521 HydrophobicContact CZ-CB 4.2Å; F188-C528 HydrophobicContact CE1-CB 4.48Å; F188-Y620 HydrophobicContact CB-CE2 4.24Å; F188-Y620 HydrophobicContact CD2-CE1 4.28Å; F188-Y620 AromaticContact CD2-CE2 3.96Å; F188-Y620 HydrophobicContact CD2-CE2 3.96Å; F188-Y620 AromaticContact CD2-CZ 3.66Å; F188-Y620 WeakPolarHBondContact CD2-OH 3.26Å
189	N	93.5	Very high	91.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-64.9	-43.7	-179	-73.2	-8.2	0	0	0	112.1	S185 V187 I193 S524 S547 N551	S185-N189 VanDerWaalsContact O-CB 3.31Å; S185-N189 WeakPolarHBondContact O-CB 3.26Å; S185-N189 PolarHBondContact O-N 3.1Å; S185-N189 PolarHBondContact O-OD1 2.8Å; V187-N189 VanDerWaalsContact C-N 3.29Å; V187-N189 PolarHBondContact O-N 3.2Å; N189-I193 HydrophobicContact CB-CD1 4.08Å; N189-I193 WeakPolarHBondContact O-CB 3.38Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.39Å; N189-S524 WeakPolarHBondContact OD1-CB 2.89Å; N189-S524 PolarHBondContact OD1-OG 3.2Å; N189-S547 PolarHBondContact O-OG 3.31Å; N189-N551 WeakPolarHBondContact CB-OD1 3.38Å; N189-N551 PolarHBondContact ND2-OD1 3.38Å
190	I	93.1	Very high	91.8	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.047	C	C	.	.	I	π-helix	trans	-73.5	-40.4	178.7	-70.2	-46.4	0	0	0	112.9	A186 V187 I194 Y219 I548 N551 V594 T597	A186-I190 PolarHBondContact O-N 3.02Å; A186-I190 VanDerWaalsContact O-N 3.14Å; V187-I190 PolarHBondContact O-N 3.35Å; I190-I194 VanDerWaalsContact O-CD1 3.26Å; I190-I194 WeakPolarHBondContact O-CD1 3.43Å; I190-I194 WeakPolarHBondContact O-CG1 3.35Å; I190-Y219 HydrophobicContact CD1-CD1 4.36Å; I190-Y219 HydrophobicContact CD1-CE1 4.05Å; I190-Y219 HydrophobicContact CG1-CE1 3.78Å; I190-I548 HydrophobicContact CD1-CB 4.37Å; I190-I548 HydrophobicContact CD1-CG1 3.72Å; I190-N551 WeakPolarHBondContact CD1-ND2 2.98Å; I190-N551 WeakPolarHBondContact CG1-ND2 3.41Å; I190-V594 HydrophobicContact CG1-CG2 4.48Å; I190-T597 HydrophobicContact CG2-CG2 3.38Å; I190-T597 VanDerWaalsContact CG2-OG1 3.23Å; I190-T597 WeakPolarHBondContact CG2-OG1 3.44Å
191	L	93.6	Very high	92.1	Very high	6 Å²	6	7.7 Å²	7.7	3%	0.031	4%	0.043	C	C	.	.	I	π-helix	trans	-94.8	-53.4	-174	-64.5	173.7	0	0	0	112.3	V187 G195 T597 C616 L619 Y620	V187-L191 HydrophobicContact CG1-CD1 3.61Å; V187-L191 HydrophobicContact CG1-CG 4.32Å; V187-L191 WeakPolarHBondContact O-CB 3.12Å; V187-L191 PolarHBondContact O-N 3.19Å; L191-G195 PolarHBondContact O-N 2.89Å; L191-T597 HydrophobicContact CD2-CG2 3.4Å; L191-T597 HydrophobicContact CG-CG2 4.42Å; L191-C616 WeakPolarHBondContact O-CB 3.43Å; L191-L619 HydrophobicContact CD2-CB 4.2Å; L191-Y620 HydrophobicContact CB-CD2 4.35Å
192	C	93.9	Very high	92.1	Very high	14 Å²	14	10.5 Å²	10.5	10%	0.095	7%	0.074	C	C	.	.	I	π-helix	trans	-71.8	-49.8	-173.4	-168.2	0	0	0	0	111.8	F188 I194 G195 V196 Y620	F188-C192 HydrophobicContact CD1-CB 4.07Å; F188-C192 HydrophobicContact CD2-CB 3.72Å; F188-C192 HydrophobicContact CE1-CB 4.1Å; F188-C192 HydrophobicContact CE2-CB 3.76Å; F188-C192 WeakPolarHBondContact CE2-SG 3.42Å; F188-C192 HydrophobicContact CG-CB 3.88Å; F188-C192 HydrophobicContact CZ-CB 3.95Å; F188-C192 VanDerWaalsContact CZ-SG 3.53Å; F188-C192 VanDerWaalsContact O-CA 3.26Å; F188-C192 WeakPolarHBondContact O-CA 3.42Å; F188-C192 WeakPolarHBondContact O-CB 3.33Å; F188-C192 PolarHBondContact O-N 3.29Å; C192-I194 PolarHBondContact O-N 3.4Å; C192-G195 CarbonylContact O-C 3.22Å; C192-G195 WeakPolarHBondContact O-CA 3.46Å; C192-G195 PolarHBondContact O-N 3.43Å; C192-G195 VanDerWaalsContact O-N 3.09Å; C192-V196 WeakPolarHBondContact O-CG2 3.49Å; C192-V196 PolarHBondContact O-N 3.49Å; C192-Y620 HydrophobicContact CB-CD1 4.42Å; C192-Y620 HydrophobicContact CB-CD2 4.46Å; C192-Y620 HydrophobicContact CB-CG 4.31Å
193	I	94.7	Very high	92.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-63.2	-47.7	-177.1	-61.5	-177.5	0	0	0	111.5	F188 N189 G195 V196 C197 D527 C528 S531	F188-I193 HydrophobicContact CD1-CG1 4.23Å; F188-I193 HydrophobicContact CE1-CG1 4.15Å; F188-I193 PolarHBondContact O-N 3.43Å; F188-I193 VanDerWaalsContact O-N 3.16Å; N189-I193 HydrophobicContact CB-CD1 4.08Å; N189-I193 WeakPolarHBondContact O-CB 3.38Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.39Å; I193-G195 PolarHBondContact O-N 2.99Å; I193-V196 PolarHBondContact O-N 3.16Å; I193-C197 WeakPolarHBondContact O-CB 3.29Å; I193-C197 PolarHBondContact O-N 3.06Å; I193-C197 PolarHBondContact O-SG 3.3Å; I193-D527 HydrophobicContact CD1-CB 3.43Å; I193-D527 VanDerWaalsContact CD1-CB 3.43Å; I193-C528 HydrophobicContact CD1-CB 4.23Å; I193-C528 HydrophobicContact CG1-CB 3.92Å; I193-S531 VanDerWaalsContact CG2-CB 3.45Å
194	I	93.7	Very high	92.2	Very high	7 Å²	7	19 Å²	19	4%	0.036	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-40.4	174.7	-60.3	-174.3	0	0	0	110	I190 C192 C197 G198 V544 L608	I190-I194 VanDerWaalsContact O-CD1 3.26Å; I190-I194 WeakPolarHBondContact O-CD1 3.43Å; I190-I194 WeakPolarHBondContact O-CG1 3.35Å; C192-I194 PolarHBondContact O-N 3.4Å; I194-C197 PolarHBondContact O-N 2.92Å; I194-G198 PolarHBondContact O-N 3.37Å; I194-V544 HydrophobicContact CD1-CG1 4.34Å; I194-L608 HydrophobicContact CG2-CD1 3.78Å
195	G	94.7	Very high	92.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-52.2	174.6	0	0	0	0	0	114	L191 C192 I193 G198 L199 G613	L191-G195 PolarHBondContact O-N 2.89Å; C192-G195 CarbonylContact O-C 3.22Å; C192-G195 WeakPolarHBondContact O-CA 3.46Å; C192-G195 PolarHBondContact O-N 3.43Å; C192-G195 VanDerWaalsContact O-N 3.09Å; I193-G195 PolarHBondContact O-N 2.99Å; G195-G198 PolarHBondContact O-N 3Å; G195-L199 WeakPolarHBondContact O-CB 3.35Å; G195-L199 PolarHBondContact O-N 3.13Å; G195-G613 WeakPolarHBondContact CA-O 3.44Å; G195-G613 WeakPolarHBondContact O-CA 3.45Å
196	V	93.9	Very high	92	Very high	10 Å²	10	22.6 Å²	22.6	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-43.9	177.9	169.6	0	0	0	0	110.5	C192 I193 G198 L199 F200 L532 L617	C192-V196 WeakPolarHBondContact O-CG2 3.49Å; C192-V196 PolarHBondContact O-N 3.49Å; I193-V196 PolarHBondContact O-N 3.16Å; V196-G198 PolarHBondContact O-N 3.34Å; V196-L199 PolarHBondContact O-N 3.37Å; V196-F200 HydrophobicContact CB-CD2 4.46Å; V196-F200 HydrophobicContact CG1-CD2 3.91Å; V196-F200 WeakPolarHBondContact O-CB 3.21Å; V196-F200 WeakPolarHBondContact O-CD2 3.49Å; V196-F200 PolarHBondContact O-N 3.22Å; V196-L532 HydrophobicContact CG1-CD1 4.4Å; V196-L532 HydrophobicContact CG1-CD2 4.13Å; V196-L617 HydrophobicContact CG2-CD2 4.34Å
197	C	93.7	Very high	91.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-46.8	175.1	-68.1	0	0	0	0	110.9	I193 I194 L199 A201 A535 L608	I193-C197 WeakPolarHBondContact O-CB 3.29Å; I193-C197 PolarHBondContact O-N 3.06Å; I193-C197 PolarHBondContact O-SG 3.3Å; I194-C197 PolarHBondContact O-N 2.92Å; C197-L199 VanDerWaalsContact C-N 3.32Å; C197-L199 PolarHBondContact O-N 3.11Å; C197-A201 WeakPolarHBondContact O-CA 3.35Å; C197-A201 WeakPolarHBondContact O-CB 3.16Å; C197-A201 PolarHBondContact O-N 3.37Å; C197-A535 HydrophobicContact CB-CB 4.09Å; C197-L608 HydrophobicContact CB-CD2 3.9Å
198	G	93	Very high	91.7	Very high	5 Å²	5	25 Å²	25	5%	0.052	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-34	177.8	0	0	0	0	0	114.2	I194 G195 V196 K610	I194-G198 PolarHBondContact O-N 3.37Å; G195-G198 PolarHBondContact O-N 3Å; V196-G198 PolarHBondContact O-N 3.34Å; G198-K610 WeakPolarHBondContact O-CA 3.3Å; G198-K610 WeakPolarHBondContact O-CG 3.38Å; G198-K610 PolarHBondContact O-N 3.47Å
199	L	93.6	Very high	91.6	Very high	54 Å²	54	26.4 Å²	26.4	28%	0.283	18%	0.177	S	C	.	.	H	α-helix	trans	-82	-41.4	-179	-171.4	58.4	0	0	0	112.9	G195 V196 C197 K610 L617	G195-L199 WeakPolarHBondContact O-CB 3.35Å; G195-L199 PolarHBondContact O-N 3.13Å; V196-L199 PolarHBondContact O-N 3.37Å; C197-L199 VanDerWaalsContact C-N 3.32Å; C197-L199 PolarHBondContact O-N 3.11Å; L199-K610 HydrophobicContact CD1-CB 4.46Å; L199-L617 HydrophobicContact CD2-CD1 4.02Å
200	F	91.3	Very high	91.4	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-113.8	2.3	-167.5	-60.1	-74	0	0	0	115.2	Q25 F28 L29 V196 G202 L532 R536	Q25-F200 HydrophobicContact CB-CD1 4.13Å; Q25-F200 HydrophobicContact CB-CE1 4.19Å; Q25-F200 HydrophobicContact CG-CD1 3.96Å; Q25-F200 HydrophobicContact CG-CE1 4.18Å; Q25-F200 VanDerWaalsContact OE1-CD1 3.31Å; F28-F200 HydrophobicContact CD1-CE1 4.47Å; F28-F200 HydrophobicContact CD1-CZ 4.45Å; L29-F200 HydrophobicContact CD1-CD2 4.15Å; L29-F200 HydrophobicContact CD1-CE2 3.56Å; L29-F200 HydrophobicContact CD1-CZ 3.85Å; L29-F200 HydrophobicContact CD2-CE2 3.61Å; L29-F200 HydrophobicContact CD2-CZ 3.62Å; L29-F200 HydrophobicContact CG-CE1 4.45Å; L29-F200 HydrophobicContact CG-CE2 3.71Å; L29-F200 HydrophobicContact CG-CZ 3.54Å; V196-F200 HydrophobicContact CB-CD2 4.46Å; V196-F200 HydrophobicContact CG1-CD2 3.91Å; V196-F200 WeakPolarHBondContact O-CB 3.21Å; V196-F200 WeakPolarHBondContact O-CD2 3.49Å; V196-F200 PolarHBondContact O-N 3.22Å; F200-G202 PolarHBondContact O-N 3.35Å; F200-L532 HydrophobicContact CB-CD1 3.74Å; F200-L532 HydrophobicContact CB-CD2 4.37Å; F200-R536 PolarHBondContact O-NE 3.47Å
201	A	89.2	Confident	91.3	Very high	7 Å²	7	28.5 Å²	28.5	6%	0.058	19%	0.186	C	C	.	.	S	Bend	trans	-63	-21.1	170.6	0	0	0	0	0	112.9	C197 Q203 V205 A535 R536	C197-A201 WeakPolarHBondContact O-CA 3.35Å; C197-A201 WeakPolarHBondContact O-CB 3.16Å; C197-A201 PolarHBondContact O-N 3.37Å; A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å; A201-V205 HydrophobicContact CB-CG2 4.45Å; A201-A535 HydrophobicContact CB-CB 4.07Å; A201-R536 WeakPolarHBondContact O-CG 3.3Å
202	G	87	Confident	91.2	Very high	68 Å²	68	28.6 Å²	28.6	70%	0.701	19%	0.187	S	C	*	.	S	Bend	trans	73.8	-6.3	179.6	0	0	0	0	0	114.7	F200	F200-G202 PolarHBondContact O-N 3.35Å
203	Q	88.4	Confident	91.1	Very high	91 Å²	91	31.4 Å²	31.4	43%	0.425	20%	0.2	S	C	.	.	S	Bend	trans	-142.9	156.1	178.6	61.9	-173.2	-22.1	0	0	110.3	A201 V205 A535 R536 G538	A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å; Q203-V205 HydrophobicContact CG-CG2 4.08Å; Q203-A535 PolarHBondContact NE2-O 2.81Å; Q203-R536 PolarHBondContact NE2-O 3.25Å; Q203-G538 VanDerWaalsContact NE2-CA 3.34Å
204	V	90.5	Very high	90.9	Very high	91 Å²	91	32 Å²	32	55%	0.552	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-81.3	120.8	173.7	179.4	0	0	0	0	108.3	Q607 D609	V204-Q607 HydrophobicContact CG1-CB 4.09Å; V204-D609 HydrophobicContact CG1-CB 4.45Å; V204-D609 HydrophobicContact CG2-CB 4.44Å
205	V	88.7	Confident	90.9	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.1	-178.2	-164.9	0	0	0	0	109.9	A201 Q203 L608	A201-V205 HydrophobicContact CB-CG2 4.45Å; Q203-V205 HydrophobicContact CG-CG2 4.08Å; V205-L608 PolarHBondContact N-O 3.02Å; V205-L608 PolarHBondContact O-N 2.9Å
206	A	88.2	Confident	90.8	Very high	70 Å²	70	32 Å²	32	58%	0.579	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.7	174.2	0	0	0	0	0	109.2
207	L	90.5	Very high	90.8	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.068	22%	0.221	C	C	.	.			trans	-105.8	139.8	179.7	-62.4	174.1	0	0	0	110.3	L212 G540 D541 V544 V601 W606 L608	L207-L212 HydrophobicContact CD1-CD1 4.48Å; L207-G540 VanDerWaalsContact CD2-C 3.49Å; L207-G540 WeakPolarHBondContact CD2-O 3.33Å; L207-D541 VanDerWaalsContact CA-OD1 3.27Å; L207-D541 WeakPolarHBondContact CA-OD1 3.49Å; L207-V544 HydrophobicContact CD1-CG2 3.92Å; L207-V544 HydrophobicContact CD2-CB 4.31Å; L207-V544 HydrophobicContact CD2-CG2 3.7Å; L207-V544 HydrophobicContact CG-CG2 4.48Å; L207-V601 HydrophobicContact CD1-CG1 3.92Å; L207-W606 PolarHBondContact N-O 3.08Å; L207-W606 WeakPolarHBondContact O-CB 3.39Å; L207-L608 HydrophobicContact CD1-CB 4.12Å; L207-L608 HydrophobicContact CG-CB 4.38Å
208	S	88.1	Confident	90.8	Very high	39 Å²	39	38.1 Å²	38.1	27%	0.273	23%	0.231	S	C	.	.			trans	-75	124.9	171.1	-179.6	0	0	0	0	110.4	W210 C211 L212 D541	S208-W210 PolarHBondContact O-N 3.1Å; S208-C211 PolarHBondContact O-N 2.93Å; S208-L212 PolarHBondContact O-N 2.94Å; S208-D541 WeakPolarHBondContact CB-OD2 3.35Å; S208-D541 PolarHBondContact N-OD1 3.5Å
209	S	89.6	Confident	90.9	Very high	51 Å²	51	38 Å²	38	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-33.7	175.7	179.7	0	0	0	0	112.7	L213 W606	S209-L213 WeakPolarHBondContact O-CB 3.48Å; S209-L213 PolarHBondContact O-N 2.94Å; S209-W606 WeakPolarHBondContact OG-CH2 3.08Å; S209-W606 WeakPolarHBondContact OG-CZ2 3.24Å
210	W	90.2	Very high	90.9	Very high	35 Å²	35	37.8 Å²	37.8	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-48.3	179.7	174	-105.6	0	0	0	112.5	S208 L213 R214 N257 I260 H261 F264	S208-W210 PolarHBondContact O-N 3.1Å; W210-L213 PolarHBondContact O-N 3.28Å; W210-R214 VanDerWaalsContact O-CB 3.25Å; W210-R214 WeakPolarHBondContact O-CB 3.29Å; W210-R214 PolarHBondContact O-N 2.9Å; W210-N257 PolarHBondContact NE1-OD1 3.26Å; W210-I260 HydrophobicContact CH2-CG2 3.63Å; W210-I260 HydrophobicContact CZ2-CB 4.25Å; W210-I260 HydrophobicContact CZ2-CG2 3.56Å; W210-H261 AromaticContact CD1-CD2 3.31Å; W210-H261 AromaticContact CD2-CD2 3.68Å; W210-H261 AromaticContact CE2-CD2 3.84Å; W210-H261 AromaticContact CG-CD2 3.34Å; W210-H261 AromaticContact CG-NE2 3.99Å; W210-H261 AromaticContact NE1-CD2 3.59Å; W210-F264 HydrophobicContact CE3-CB 4.32Å; W210-F264 AromaticContact CE3-CD1 3.81Å; W210-F264 HydrophobicContact CE3-CD1 3.81Å; W210-F264 HydrophobicContact CE3-CE1 4.25Å; W210-F264 AromaticContact CE3-CG 3.97Å; W210-F264 HydrophobicContact CE3-CG 3.97Å; W210-F264 HydrophobicContact CH2-CB 3.92Å; W210-F264 HydrophobicContact CH2-CD2 4.37Å; W210-F264 HydrophobicContact CH2-CG 4.12Å; W210-F264 HydrophobicContact CZ3-CB 3.66Å; W210-F264 AromaticContact CZ3-CD1 3.72Å; W210-F264 HydrophobicContact CZ3-CD1 3.72Å; W210-F264 AromaticContact CZ3-CD2 3.67Å; W210-F264 HydrophobicContact CZ3-CD2 3.67Å; W210-F264 HydrophobicContact CZ3-CE1 4.27Å; W210-F264 HydrophobicContact CZ3-CE2 4.22Å; W210-F264 AromaticContact CZ3-CG 3.38Å; W210-F264 HydrophobicContact CZ3-CG 3.38Å
211	C	91.2	Very high	91.1	Very high	9 Å²	9	41 Å²	41	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-50.4	-176.6	-60.8	0	0	0	0	110.2	D147 S208 L213 R214 D215	D147-C211 HydrophobicContact CB-CB 4.29Å; D147-C211 PolarHBondContact OD2-SG 3.22Å; D147-C211 VanDerWaalsContact OD2-SG 3.34Å; S208-C211 PolarHBondContact O-N 2.93Å; C211-L213 PolarHBondContact O-N 3.42Å; C211-R214 PolarHBondContact O-N 2.63Å; C211-D215 WeakPolarHBondContact O-CB 3.26Å; C211-D215 PolarHBondContact O-N 3.2Å
212	L	91.6	Very high	91.3	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-43.8	179.4	-168.6	158.2	0	0	0	112	L207 S208 S216 V544 V598 V601 W606	L207-L212 HydrophobicContact CD1-CD1 4.48Å; S208-L212 PolarHBondContact O-N 2.94Å; L212-S216 WeakPolarHBondContact O-CB 3.23Å; L212-S216 PolarHBondContact O-N 3.48Å; L212-S216 PolarHBondContact O-OG 3.46Å; L212-V544 HydrophobicContact CD1-CG1 4.3Å; L212-V598 HydrophobicContact CD2-CB 4.08Å; L212-V598 HydrophobicContact CD2-CG1 3.72Å; L212-V598 HydrophobicContact CD2-CG2 3.72Å; L212-V601 HydrophobicContact CD1-CB 3.97Å; L212-V601 HydrophobicContact CD1-CG1 3.6Å; L212-V601 HydrophobicContact CD1-CG2 4.04Å; L212-W606 HydrophobicContact CB-CZ3 4.07Å; L212-W606 HydrophobicContact CD1-CE3 4.44Å; L212-W606 HydrophobicContact CD1-CZ3 4.08Å; L212-W606 HydrophobicContact CD2-CZ3 4Å; L212-W606 HydrophobicContact CG-CZ3 4.29Å
213	L	90.8	Very high	91.6	Very high	72 Å²	72	37.6 Å²	37.6	38%	0.377	21%	0.212	S	C	.	.	H	α-helix	trans	-63.3	-47	178.2	-179.6	67.1	0	0	0	111.8	S209 W210 C211 I217	S209-L213 WeakPolarHBondContact O-CB 3.48Å; S209-L213 PolarHBondContact O-N 2.94Å; W210-L213 PolarHBondContact O-N 3.28Å; C211-L213 PolarHBondContact O-N 3.42Å; L213-I217 HydrophobicContact CD1-CD1 3.93Å; L213-I217 HydrophobicContact CD1-CG1 4.27Å; L213-I217 HydrophobicContact CG-CD1 3.81Å; L213-I217 WeakPolarHBondContact O-CB 3.34Å; L213-I217 WeakPolarHBondContact O-CD1 3.46Å; L213-I217 WeakPolarHBondContact O-CG1 3.38Å; L213-I217 PolarHBondContact O-N 3.5Å
214	R	92	Very high	91.9	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-53.9	178.7	177	-162.6	65.8	-154.4	-1.7	110.5	D147 W210 C211 S216 I217 Y218 M254 N257	D147-R214 IonicContact OD2-CZ 4Å; D147-R214 VanDerWaalsContact OD2-CZ 3.24Å; D147-R214 IonicContact OD2-NH1 3.4Å; D147-R214 PolarHBondContact OD2-NH1 2.55Å; D147-R214 IonicContact OD2-NH2 3.77Å; D147-R214 PolarHBondContact OD2-NH2 3.24Å; W210-R214 VanDerWaalsContact O-CB 3.25Å; W210-R214 WeakPolarHBondContact O-CB 3.29Å; W210-R214 PolarHBondContact O-N 2.9Å; C211-R214 PolarHBondContact O-N 2.63Å; R214-S216 VanDerWaalsContact C-N 3.34Å; R214-S216 PolarHBondContact O-N 2.89Å; R214-I217 PolarHBondContact O-N 3.34Å; R214-Y218 HydrophobicContact CG-CD2 4.18Å; R214-Y218 HydrophobicContact CG-CE2 3.99Å; R214-Y218 WeakPolarHBondContact O-CD2 3.4Å; R214-Y218 PolarHBondContact O-N 3.01Å; R214-M254 HydrophobicContact CG-CE 4.17Å; R214-M254 VanDerWaalsContact NE-CE 3.34Å; R214-N257 PolarHBondContact NH1-ND2 2.98Å; R214-N257 PolarHBondContact NH1-OD1 3.3Å
215	D	93.1	Very high	92	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-39.3	-175	-60.7	-12.5	0	0	0	110.5	C211 I217 Y218 Y219 M254 S545 I548	C211-D215 WeakPolarHBondContact O-CB 3.26Å; C211-D215 PolarHBondContact O-N 3.2Å; D215-I217 PolarHBondContact O-N 3.45Å; D215-Y218 PolarHBondContact O-N 3.39Å; D215-Y219 WeakPolarHBondContact O-CB 3.42Å; D215-Y219 PolarHBondContact O-N 3.16Å; D215-M254 WeakPolarHBondContact OD1-CE 3.27Å; D215-S545 VanDerWaalsContact OD2-CB 3.29Å; D215-S545 WeakPolarHBondContact OD2-CB 3.37Å; D215-S545 PolarHBondContact OD2-OG 3.39Å; D215-I548 HydrophobicContact CB-CB 4.13Å; D215-I548 HydrophobicContact CB-CD1 4.2Å; D215-I548 HydrophobicContact CB-CG2 3.75Å
216	S	92.9	Very high	92.2	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-34.6	177.2	-58	0	0	0	0	113.2	L212 R214 T220 V598	L212-S216 WeakPolarHBondContact O-CB 3.23Å; L212-S216 PolarHBondContact O-N 3.48Å; L212-S216 PolarHBondContact O-OG 3.46Å; R214-S216 VanDerWaalsContact C-N 3.34Å; R214-S216 PolarHBondContact O-N 2.89Å; S216-T220 VanDerWaalsContact O-CB 3.27Å; S216-T220 WeakPolarHBondContact O-CB 3.16Å; S216-T220 PolarHBondContact O-N 2.94Å; S216-T220 PolarHBondContact O-OG1 3.28Å; S216-V598 VanDerWaalsContact OG-CG2 3.24Å; S216-V598 WeakPolarHBondContact OG-CG2 3.44Å
217	I	93.8	Very high	92.3	Very high	85 Å²	85	32.1 Å²	32.1	44%	0.436	18%	0.177	S	C	.	.	H	α-helix	trans	-64.2	-48.9	174.3	-73	165.4	0	0	0	109.8	L213 R214 D215 Y219 T220 L221	L213-I217 HydrophobicContact CD1-CD1 3.93Å; L213-I217 HydrophobicContact CD1-CG1 4.27Å; L213-I217 HydrophobicContact CG-CD1 3.81Å; L213-I217 WeakPolarHBondContact O-CB 3.34Å; L213-I217 WeakPolarHBondContact O-CD1 3.46Å; L213-I217 WeakPolarHBondContact O-CG1 3.38Å; L213-I217 PolarHBondContact O-N 3.5Å; R214-I217 PolarHBondContact O-N 3.34Å; D215-I217 PolarHBondContact O-N 3.45Å; I217-Y219 PolarHBondContact O-N 3.19Å; I217-T220 PolarHBondContact O-N 2.97Å; I217-L221 HydrophobicContact CG2-CD1 4.17Å; I217-L221 WeakPolarHBondContact O-CG 3.08Å; I217-L221 PolarHBondContact O-N 3.02Å
218	Y	93.9	Very high	92.3	Very high	56 Å²	56	35.9 Å²	35.9	22%	0.22	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.9	-76.2	-68.5	0	0	0	111.8	R214 D215 T220 L221 S222 Y250 I253 M254	R214-Y218 HydrophobicContact CG-CD2 4.18Å; R214-Y218 HydrophobicContact CG-CE2 3.99Å; R214-Y218 WeakPolarHBondContact O-CD2 3.4Å; R214-Y218 PolarHBondContact O-N 3.01Å; D215-Y218 PolarHBondContact O-N 3.39Å; Y218-T220 VanDerWaalsContact C-N 3.34Å; Y218-T220 PolarHBondContact O-N 3.3Å; Y218-L221 WeakPolarHBondContact O-CB 3.36Å; Y218-L221 PolarHBondContact O-N 2.95Å; Y218-L221 VanDerWaalsContact O-N 3.15Å; Y218-S222 PolarHBondContact O-N 3.43Å; Y218-S222 PolarHBondContact O-OG 3.22Å; Y218-Y250 HydrophobicContact CD1-CD2 4.14Å; Y218-Y250 HydrophobicContact CD2-CD2 4.12Å; Y218-Y250 HydrophobicContact CD2-CE2 4.27Å; Y218-Y250 AromaticContact CG-CD2 3.77Å; Y218-Y250 HydrophobicContact CG-CD2 3.77Å; Y218-Y250 HydrophobicContact CG-CE2 4.18Å; Y218-I253 HydrophobicContact CE1-CD1 3.59Å; Y218-I253 HydrophobicContact CE2-CG2 4Å; Y218-I253 WeakPolarHBondContact OH-CD1 3.17Å; Y218-I253 WeakPolarHBondContact OH-CG2 3.45Å; Y218-M254 HydrophobicContact CD2-CE 4.44Å
219	Y	94.4	Very high	92.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-43.1	176.7	-177.7	-137.1	0	0	0	112.4	I190 D215 I217 L221 S222 V223 I548 N551 V552 I555 V594	I190-Y219 HydrophobicContact CD1-CD1 4.36Å; I190-Y219 HydrophobicContact CD1-CE1 4.05Å; I190-Y219 HydrophobicContact CG1-CE1 3.78Å; D215-Y219 WeakPolarHBondContact O-CB 3.42Å; D215-Y219 PolarHBondContact O-N 3.16Å; I217-Y219 PolarHBondContact O-N 3.19Å; Y219-L221 VanDerWaalsContact C-N 3.32Å; Y219-L221 PolarHBondContact O-N 3.26Å; Y219-S222 WeakPolarHBondContact O-CB 3.37Å; Y219-S222 PolarHBondContact O-N 2.94Å; Y219-S222 VanDerWaalsContact O-N 3.16Å; Y219-V223 HydrophobicContact CD2-CG2 3.96Å; Y219-V223 HydrophobicContact CE1-CG2 4.4Å; Y219-V223 HydrophobicContact CE2-CG2 3.48Å; Y219-V223 VanDerWaalsContact CE2-CG2 3.48Å; Y219-V223 WeakPolarHBondContact O-CG2 3.46Å; Y219-V223 PolarHBondContact O-N 3.4Å; Y219-I548 HydrophobicContact CD1-CG2 4.28Å; Y219-I548 HydrophobicContact CG-CG2 4.16Å; Y219-N551 HydrophobicContact CD2-CB 3.95Å; Y219-N551 HydrophobicContact CE1-CB 4.43Å; Y219-N551 HydrophobicContact CE2-CB 3.44Å; Y219-N551 VanDerWaalsContact CE2-CB 3.44Å; Y219-V552 HydrophobicContact CD2-CG2 4.01Å; Y219-V552 HydrophobicContact CG-CG2 4.29Å; Y219-I555 HydrophobicContact CD2-CD1 4.41Å; Y219-I555 HydrophobicContact CE2-CD1 3.63Å; Y219-V594 HydrophobicContact CD1-CB 4.39Å; Y219-V594 HydrophobicContact CD1-CG1 4.25Å; Y219-V594 HydrophobicContact CD1-CG2 3.21Å; Y219-V594 HydrophobicContact CE1-CB 4.39Å; Y219-V594 HydrophobicContact CE1-CG2 2.96Å; Y219-V594 HydrophobicContact CG-CG2 4.48Å
220	T	93.8	Very high	92.3	Very high	50 Å²	50	32.7 Å²	32.7	31%	0.307	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-43.7	173.8	-59.7	0	0	0	0	111.5	S216 I217 Y218 S222 V223 V224 L591	S216-T220 VanDerWaalsContact O-CB 3.27Å; S216-T220 WeakPolarHBondContact O-CB 3.16Å; S216-T220 PolarHBondContact O-N 2.94Å; S216-T220 PolarHBondContact O-OG1 3.28Å; I217-T220 PolarHBondContact O-N 2.97Å; Y218-T220 VanDerWaalsContact C-N 3.34Å; Y218-T220 PolarHBondContact O-N 3.3Å; T220-S222 PolarHBondContact O-N 3.43Å; T220-V223 PolarHBondContact O-N 3.39Å; T220-V224 HydrophobicContact CG2-CG2 4.45Å; T220-V224 WeakPolarHBondContact O-CB 3.5Å; T220-V224 VanDerWaalsContact O-CG2 3.26Å; T220-V224 WeakPolarHBondContact O-CG2 3.15Å; T220-V224 PolarHBondContact O-N 3.44Å; T220-L591 HydrophobicContact CG2-CD1 3.8Å
221	L	94.9	Very high	92.2	Very high	87 Å²	87	39.9 Å²	39.9	46%	0.455	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-40.6	175.8	-69.5	172.3	0	0	0	112.1	I217 Y218 Y219 V224 A225	I217-L221 HydrophobicContact CG2-CD1 4.17Å; I217-L221 WeakPolarHBondContact O-CG 3.08Å; I217-L221 PolarHBondContact O-N 3.02Å; Y218-L221 WeakPolarHBondContact O-CB 3.36Å; Y218-L221 PolarHBondContact O-N 2.95Å; Y218-L221 VanDerWaalsContact O-N 3.15Å; Y219-L221 VanDerWaalsContact C-N 3.32Å; Y219-L221 PolarHBondContact O-N 3.26Å; L221-V224 PolarHBondContact O-N 3.08Å; L221-A225 WeakPolarHBondContact O-CB 3.44Å; L221-A225 PolarHBondContact O-N 3.44Å
222	S	94.3	Very high	92.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-45.5	176.3	-55.8	0	0	0	0	112.1	Y218 Y219 T220 A225 L226	Y218-S222 PolarHBondContact O-N 3.43Å; Y218-S222 PolarHBondContact O-OG 3.22Å; Y219-S222 WeakPolarHBondContact O-CB 3.37Å; Y219-S222 PolarHBondContact O-N 2.94Å; Y219-S222 VanDerWaalsContact O-N 3.16Å; T220-S222 PolarHBondContact O-N 3.43Å; S222-A225 PolarHBondContact O-N 3.39Å; S222-L226 WeakPolarHBondContact O-CB 2.89Å; S222-L226 PolarHBondContact O-N 3.14Å
223	V	93.5	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-42.9	177.4	174.3	0	0	0	0	110.9	Y219 T220 L226 I227 I555 V587 L590 L591	Y219-V223 HydrophobicContact CD2-CG2 3.96Å; Y219-V223 HydrophobicContact CE1-CG2 4.4Å; Y219-V223 HydrophobicContact CE2-CG2 3.48Å; Y219-V223 VanDerWaalsContact CE2-CG2 3.48Å; Y219-V223 WeakPolarHBondContact O-CG2 3.46Å; Y219-V223 PolarHBondContact O-N 3.4Å; T220-V223 PolarHBondContact O-N 3.39Å; V223-L226 WeakPolarHBondContact O-CB 3.48Å; V223-L226 PolarHBondContact O-N 2.94Å; V223-I227 HydrophobicContact CG1-CD1 4.07Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 3Å; V223-I555 HydrophobicContact CG2-CD1 3.64Å; V223-V587 HydrophobicContact CG1-CG1 4.15Å; V223-L590 HydrophobicContact CG1-CB 4.36Å; V223-L591 HydrophobicContact CG1-CB 4.14Å; V223-L591 HydrophobicContact CG1-CD1 4.44Å
224	V	93.1	Very high	91.7	Very high	66 Å²	66	47.5 Å²	47.5	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-43.4	176.9	169.8	0	0	0	0	111.3	T220 L221 L226 I227 V228	T220-V224 HydrophobicContact CG2-CG2 4.45Å; T220-V224 WeakPolarHBondContact O-CB 3.5Å; T220-V224 VanDerWaalsContact O-CG2 3.26Å; T220-V224 WeakPolarHBondContact O-CG2 3.15Å; T220-V224 PolarHBondContact O-N 3.44Å; L221-V224 PolarHBondContact O-N 3.08Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 3.19Å; V224-I227 PolarHBondContact O-N 3.43Å; V224-V228 WeakPolarHBondContact O-CG2 3.35Å; V224-V228 PolarHBondContact O-N 3.29Å
225	A	93.7	Very high	91.6	Very high	19 Å²	19	47 Å²	47	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-42.7	175.4	0	0	0	0	0	111.4	L221 S222 V228 F229 L243	L221-A225 WeakPolarHBondContact O-CB 3.44Å; L221-A225 PolarHBondContact O-N 3.44Å; S222-A225 PolarHBondContact O-N 3.39Å; A225-V228 PolarHBondContact O-N 3.5Å; A225-F229 HydrophobicContact CB-CE2 4.35Å; A225-F229 WeakPolarHBondContact O-CD2 3.21Å; A225-F229 VanDerWaalsContact O-CG 3.3Å; A225-F229 WeakPolarHBondContact O-CG 3.4Å; A225-F229 PolarHBondContact O-N 2.98Å; A225-L243 HydrophobicContact CB-CD2 4.44Å
226	L	92.2	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-45.3	175.5	-175.6	65.2	0	0	0	112.2	S222 V223 V224 V228 F229 I230 I555 L559 W563 V587	S222-L226 WeakPolarHBondContact O-CB 2.89Å; S222-L226 PolarHBondContact O-N 3.14Å; V223-L226 WeakPolarHBondContact O-CB 3.48Å; V223-L226 PolarHBondContact O-N 2.94Å; V224-L226 VanDerWaalsContact C-N 3.3Å; V224-L226 PolarHBondContact O-N 3.19Å; L226-V228 VanDerWaalsContact C-N 3.3Å; L226-V228 PolarHBondContact O-N 3.13Å; L226-F229 PolarHBondContact O-N 3.16Å; L226-I230 HydrophobicContact CD1-CD1 3.64Å; L226-I230 HydrophobicContact CD1-CG1 4.11Å; L226-I230 HydrophobicContact CD2-CD1 4.26Å; L226-I230 HydrophobicContact CG-CD1 3.61Å; L226-I230 HydrophobicContact CG-CG1 4.37Å; L226-I230 WeakPolarHBondContact O-CB 3.03Å; L226-I230 VanDerWaalsContact O-CG1 3.27Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.87Å; L226-I555 HydrophobicContact CB-CG2 4.01Å; L226-I555 HydrophobicContact CD2-CD1 4.29Å; L226-I555 HydrophobicContact CD2-CG1 4.26Å; L226-I555 HydrophobicContact CD2-CG2 4.02Å; L226-I555 HydrophobicContact CG-CG2 4.4Å; L226-L559 HydrophobicContact CD1-CD1 3.74Å; L226-L559 HydrophobicContact CD2-CD1 4.03Å; L226-W563 HydrophobicContact CD1-CH2 3.87Å; L226-W563 HydrophobicContact CD1-CZ3 4.04Å; L226-V587 HydrophobicContact CD2-CG1 4.22Å; L226-V587 HydrophobicContact CD2-CG2 4.33Å
227	I	90.2	Very high	91.6	Very high	59 Å²	59	51.3 Å²	51.3	30%	0.303	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-42.9	176.5	-68.5	168	0	0	0	111	V223 V224 I230 Y231 V587	V223-I227 HydrophobicContact CG1-CD1 4.07Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 3Å; V224-I227 PolarHBondContact O-N 3.43Å; I227-I230 PolarHBondContact O-N 3.16Å; I227-Y231 PolarHBondContact O-N 3.06Å; I227-V587 HydrophobicContact CD1-CG1 4.05Å; I227-V587 HydrophobicContact CG1-CB 4.37Å; I227-V587 HydrophobicContact CG1-CG1 3.4Å
228	V	91.5	Very high	91.6	Very high	92 Å²	92	53.3 Å²	53.3	56%	0.558	25%	0.254	S	S	*	.	H	α-helix	trans	-63.4	-41.6	179.3	171.5	0	0	0	0	111.3	V224 A225 L226 Y231	V224-V228 WeakPolarHBondContact O-CG2 3.35Å; V224-V228 PolarHBondContact O-N 3.29Å; A225-V228 PolarHBondContact O-N 3.5Å; L226-V228 VanDerWaalsContact C-N 3.3Å; L226-V228 PolarHBondContact O-N 3.13Å; V228-Y231 WeakPolarHBondContact O-CB 3.27Å; V228-Y231 PolarHBondContact O-N 3.09Å
229	F	90.4	Very high	91.6	Very high	21 Å²	21	51.4 Å²	51.4	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-78.1	-23.7	-179.2	-59.7	-28	0	0	0	114.3	A225 L226 Y231 E239 V242 L243	A225-F229 HydrophobicContact CB-CE2 4.35Å; A225-F229 WeakPolarHBondContact O-CD2 3.21Å; A225-F229 VanDerWaalsContact O-CG 3.3Å; A225-F229 WeakPolarHBondContact O-CG 3.4Å; A225-F229 PolarHBondContact O-N 2.98Å; L226-F229 PolarHBondContact O-N 3.16Å; F229-Y231 VanDerWaalsContact C-N 3.34Å; F229-E239 HydrophobicContact CD1-CB 4.09Å; F229-E239 HydrophobicContact CD1-CG 3.76Å; F229-E239 HydrophobicContact CD2-CB 4.22Å; F229-E239 HydrophobicContact CE1-CB 4.36Å; F229-E239 HydrophobicContact CE1-CG 4.01Å; F229-E239 HydrophobicContact CE2-CB 4.48Å; F229-E239 HydrophobicContact CG-CB 4.03Å; F229-E239 HydrophobicContact CG-CG 4.18Å; F229-V242 HydrophobicContact CE2-CB 4.46Å; F229-V242 HydrophobicContact CE2-CG1 4.22Å; F229-V242 HydrophobicContact CZ-CB 4.19Å; F229-V242 HydrophobicContact CZ-CG1 3.81Å; F229-L243 HydrophobicContact CD2-CD1 4.23Å; F229-L243 HydrophobicContact CD2-CD2 3.8Å; F229-L243 HydrophobicContact CD2-CG 3.91Å; F229-L243 HydrophobicContact CE2-CD2 3.65Å; F229-L243 HydrophobicContact CE2-CG 3.82Å
230	I	87.4	Confident	91.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-81.8	-18.8	174.9	-66.3	174	0	0	0	111.2	L226 I227 D232 E233 L578 L583 I584 V587	L226-I230 HydrophobicContact CD1-CD1 3.64Å; L226-I230 HydrophobicContact CD1-CG1 4.11Å; L226-I230 HydrophobicContact CD2-CD1 4.26Å; L226-I230 HydrophobicContact CG-CD1 3.61Å; L226-I230 HydrophobicContact CG-CG1 4.37Å; L226-I230 WeakPolarHBondContact O-CB 3.03Å; L226-I230 VanDerWaalsContact O-CG1 3.27Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 2.87Å; I227-I230 PolarHBondContact O-N 3.16Å; I230-D232 VanDerWaalsContact C-N 3.27Å; I230-D232 PolarHBondContact O-N 3.05Å; I230-D232 VanDerWaalsContact O-N 3.16Å; I230-E233 PolarHBondContact O-N 2.98Å; I230-L578 HydrophobicContact CB-CD1 4.39Å; I230-L578 HydrophobicContact CD1-CD1 4.42Å; I230-L578 HydrophobicContact CG1-CD1 3.73Å; I230-L578 HydrophobicContact CG2-CD1 4.26Å; I230-L583 HydrophobicContact CD1-CD2 3.82Å; I230-L583 HydrophobicContact CD1-CG 4.11Å; I230-L583 HydrophobicContact CG1-CD2 4.43Å; I230-L583 HydrophobicContact CG2-CD2 3.85Å; I230-L583 HydrophobicContact CG2-CG 4.24Å; I230-I584 HydrophobicContact CG2-CG1 4.27Å; I230-V587 HydrophobicContact CD1-CG2 4.36Å
231	Y	87	Confident	91.6	Very high	186 Å²	186	52.2 Å²	52.2	73%	0.729	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.7	-171	-174.7	-97.9	0	0	0	114.6	I227 V228 F229 E233	I227-Y231 PolarHBondContact O-N 3.06Å; V228-Y231 WeakPolarHBondContact O-CB 3.27Å; V228-Y231 PolarHBondContact O-N 3.09Å; F229-Y231 VanDerWaalsContact C-N 3.34Å; Y231-E233 VanDerWaalsContact C-N 3.33Å
232	D	88.7	Confident	91.7	Very high	77 Å²	77	50.7 Å²	50.7	41%	0.412	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	6.4	-179.7	76.2	-19.2	0	0	0	113.8	I230 K234	I230-D232 VanDerWaalsContact C-N 3.27Å; I230-D232 PolarHBondContact O-N 3.05Å; I230-D232 VanDerWaalsContact O-N 3.16Å; D232-K234 PolarHBondContact O-N 3.47Å; D232-K234 VanDerWaalsContact O-N 3.12Å; D232-K234 PolarHBondContact OD1-N 3.12Å; D232-K234 VanDerWaalsContact OD1-O 3.06Å
233	E	85.7	Confident	91.8	Very high	97 Å²	97	50.6 Å²	50.6	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	61.3	11.7	-178.4	-30.3	-164.6	143.9	0	0	113.9	I230 Y231 R577 L578 S580	I230-E233 PolarHBondContact O-N 2.98Å; Y231-E233 VanDerWaalsContact C-N 3.33Å; E233-R577 WeakPolarHBondContact O-CA 3.47Å; E233-L578 PolarHBondContact O-N 3.3Å; E233-S580 WeakPolarHBondContact CB-OG 3.42Å; E233-S580 VanDerWaalsContact CD-OG 3.27Å; E233-S580 WeakPolarHBondContact CG-OG 3.47Å; E233-S580 VanDerWaalsContact OE1-CB 3.24Å; E233-S580 WeakPolarHBondContact OE1-CB 3.38Å; E233-S580 PolarHBondContact OE1-OG 3.33Å
234	K	88.7	Confident	91.9	Very high	76 Å²	76	52.2 Å²	52.2	33%	0.33	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	103.6	-170.4	-73.8	177.2	-178.9	171.1	0	111.8	D232 S236 Y575 I576	D232-K234 PolarHBondContact O-N 3.47Å; D232-K234 VanDerWaalsContact O-N 3.12Å; D232-K234 PolarHBondContact OD1-N 3.12Å; D232-K234 VanDerWaalsContact OD1-O 3.06Å; K234-S236 PolarHBondContact O-N 2.89Å; K234-Y575 HydrophobicContact CB-CD1 4.43Å; K234-I576 CarbonylContact C-O 3.51Å; K234-I576 WeakPolarHBondContact CA-O 3.38Å
235	V	89.9	Confident	92.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.6	174.4	-173.7	0	0	0	0	110.6	E239 S240 W563 Y575 I576 L578	V235-E239 HydrophobicContact CG1-CB 4.35Å; V235-S240 WeakPolarHBondContact CG1-OG 3.45Å; V235-W563 HydrophobicContact CB-CE3 4.42Å; V235-W563 HydrophobicContact CG1-CD2 4.13Å; V235-W563 HydrophobicContact CG1-CE3 3.7Å; V235-W563 HydrophobicContact CG1-CZ3 4.18Å; V235-W563 HydrophobicContact CG2-CD2 4.48Å; V235-W563 HydrophobicContact CG2-CE3 4.19Å; V235-W563 HydrophobicContact CG2-CH2 4.1Å; V235-W563 HydrophobicContact CG2-CZ2 4.41Å; V235-W563 HydrophobicContact CG2-CZ3 4Å; V235-Y575 WeakPolarHBondContact O-CA 3.49Å; V235-I576 HydrophobicContact CB-CB 4.34Å; V235-I576 PolarHBondContact N-O 3.3Å; V235-I576 PolarHBondContact O-N 3.35Å; V235-L578 HydrophobicContact CG2-CD1 3.56Å; V235-L578 HydrophobicContact CG2-CG 4.27Å
236	S	92.3	Very high	92.3	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	26%	0.263	C	S	.	.			trans	-92.7	165.4	173.8	68.4	0	0	0	0	112.7	K234 W238 E239 S240	K234-S236 PolarHBondContact O-N 2.89Å; S236-W238 VanDerWaalsContact C-N 3.32Å; S236-W238 PolarHBondContact O-N 2.97Å; S236-W238 PolarHBondContact OG-NE1 3.21Å; S236-E239 WeakPolarHBondContact CB-OE2 3.34Å; S236-E239 PolarHBondContact N-OE2 2.87Å; S236-E239 PolarHBondContact O-N 2.88Å; S236-E239 WeakPolarHBondContact OG-CG 3.5Å; S236-E239 PolarHBondContact OG-OE2 3.14Å; S236-S240 PolarHBondContact O-N 3.27Å; S236-S240 PolarHBondContact O-OG 3.35Å
237	W	93.5	Very high	92.5	Very high	92 Å²	92	56.6 Å²	56.6	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-37.3	-178.5	69.6	-89.7	0	0	0	113.5	S240 L241 T567	W237-S240 PolarHBondContact O-N 2.99Å; W237-L241 HydrophobicContact CE3-CD1 3.61Å; W237-L241 HydrophobicContact CE3-CG 4.49Å; W237-L241 HydrophobicContact CZ3-CD1 3.64Å; W237-L241 WeakPolarHBondContact O-CG 3.39Å; W237-L241 PolarHBondContact O-N 3.46Å; W237-L241 VanDerWaalsContact O-N 3.11Å; W237-T567 VanDerWaalsContact CA-OG1 3.28Å; W237-T567 WeakPolarHBondContact CA-OG1 3.45Å; W237-T567 WeakPolarHBondContact CB-OG1 3.48Å
238	W	94.5	Very high	92.8	Very high	128 Å²	128	58.5 Å²	58.5	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-75	-34.5	-177	67.1	-92.2	0	0	0	111.6	S236 S240 L241 V242	S236-W238 VanDerWaalsContact C-N 3.32Å; S236-W238 PolarHBondContact O-N 2.97Å; S236-W238 PolarHBondContact OG-NE1 3.21Å; W238-S240 VanDerWaalsContact C-N 3.33Å; W238-L241 PolarHBondContact O-N 3.3Å; W238-V242 HydrophobicContact CE3-CG2 4.23Å; W238-V242 VanDerWaalsContact O-CG2 3.29Å; W238-V242 WeakPolarHBondContact O-CG2 3.34Å; W238-V242 PolarHBondContact O-N 3.36Å
239	E	93.9	Very high	93	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-43.3	173.8	-70.5	162.4	152.5	0	0	110.8	F229 V235 S236 L241 V242 L243	F229-E239 HydrophobicContact CD1-CB 4.09Å; F229-E239 HydrophobicContact CD1-CG 3.76Å; F229-E239 HydrophobicContact CD2-CB 4.22Å; F229-E239 HydrophobicContact CE1-CB 4.36Å; F229-E239 HydrophobicContact CE1-CG 4.01Å; F229-E239 HydrophobicContact CE2-CB 4.48Å; F229-E239 HydrophobicContact CG-CB 4.03Å; F229-E239 HydrophobicContact CG-CG 4.18Å; V235-E239 HydrophobicContact CG1-CB 4.35Å; S236-E239 WeakPolarHBondContact CB-OE2 3.34Å; S236-E239 PolarHBondContact N-OE2 2.87Å; S236-E239 PolarHBondContact O-N 2.88Å; S236-E239 WeakPolarHBondContact OG-CG 3.5Å; S236-E239 PolarHBondContact OG-OE2 3.14Å; E239-L241 PolarHBondContact O-N 2.99Å; E239-V242 WeakPolarHBondContact O-CB 3.28Å; E239-V242 PolarHBondContact O-N 3.32Å; E239-V242 VanDerWaalsContact O-N 3.16Å; E239-L243 PolarHBondContact O-N 3.44Å; E239-L243 VanDerWaalsContact O-N 3.11Å
240	S	93.4	Very high	93.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-43	175.7	-51.6	0	0	0	0	112	V235 S236 W237 W238 V242 L243 V244 W563	V235-S240 WeakPolarHBondContact CG1-OG 3.45Å; S236-S240 PolarHBondContact O-N 3.27Å; S236-S240 PolarHBondContact O-OG 3.35Å; W237-S240 PolarHBondContact O-N 2.99Å; W238-S240 VanDerWaalsContact C-N 3.33Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.4Å; S240-L243 WeakPolarHBondContact O-CB 3.4Å; S240-L243 PolarHBondContact O-N 3.32Å; S240-V244 PolarHBondContact O-N 2.82Å; S240-W563 VanDerWaalsContact OG-CB 3.22Å; S240-W563 WeakPolarHBondContact OG-CB 3.26Å
241	L	95.1	Very high	93.6	Very high	69 Å²	69	59.8 Å²	59.8	36%	0.361	28%	0.281	S	S	.	.	H	α-helix	trans	-66.9	-33.3	175.2	-73.9	179.4	0	0	0	113	W237 W238 E239 L243 V244 L245 A564	W237-L241 HydrophobicContact CE3-CD1 3.61Å; W237-L241 HydrophobicContact CE3-CG 4.49Å; W237-L241 HydrophobicContact CZ3-CD1 3.64Å; W237-L241 WeakPolarHBondContact O-CG 3.39Å; W237-L241 PolarHBondContact O-N 3.46Å; W237-L241 VanDerWaalsContact O-N 3.11Å; W238-L241 PolarHBondContact O-N 3.3Å; E239-L241 PolarHBondContact O-N 2.99Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L241-V244 PolarHBondContact O-N 3.28Å; L241-L245 WeakPolarHBondContact O-CB 2.93Å; L241-L245 PolarHBondContact O-N 2.76Å; L241-A564 HydrophobicContact CD2-CB 4.15Å
242	V	96.8	Very high	94	Very high	55 Å²	55	54.7 Å²	54.7	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-39.8	174.8	169.7	0	0	0	0	110.7	F229 W238 E239 S240 L245 M246	F229-V242 HydrophobicContact CE2-CB 4.46Å; F229-V242 HydrophobicContact CE2-CG1 4.22Å; F229-V242 HydrophobicContact CZ-CB 4.19Å; F229-V242 HydrophobicContact CZ-CG1 3.81Å; W238-V242 HydrophobicContact CE3-CG2 4.23Å; W238-V242 VanDerWaalsContact O-CG2 3.29Å; W238-V242 WeakPolarHBondContact O-CG2 3.34Å; W238-V242 PolarHBondContact O-N 3.36Å; E239-V242 WeakPolarHBondContact O-CB 3.28Å; E239-V242 PolarHBondContact O-N 3.32Å; E239-V242 VanDerWaalsContact O-N 3.16Å; S240-V242 VanDerWaalsContact C-N 3.34Å; S240-V242 PolarHBondContact O-N 3.4Å; V242-L245 PolarHBondContact O-N 3.3Å; V242-M246 HydrophobicContact CG1-CG 4.36Å; V242-M246 WeakPolarHBondContact O-CB 3.29Å; V242-M246 VanDerWaalsContact O-CG 3.25Å; V242-M246 WeakPolarHBondContact O-CG 3.41Å; V242-M246 PolarHBondContact O-N 3.16Å
243	L	95.8	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-47.7	174.1	-67.2	175.9	0	0	0	111.8	A225 F229 E239 S240 L241 L245 M246 Y247 L556 W563	A225-L243 HydrophobicContact CB-CD2 4.44Å; F229-L243 HydrophobicContact CD2-CD1 4.23Å; F229-L243 HydrophobicContact CD2-CD2 3.8Å; F229-L243 HydrophobicContact CD2-CG 3.91Å; F229-L243 HydrophobicContact CE2-CD2 3.65Å; F229-L243 HydrophobicContact CE2-CG 3.82Å; E239-L243 PolarHBondContact O-N 3.44Å; E239-L243 VanDerWaalsContact O-N 3.11Å; S240-L243 WeakPolarHBondContact O-CB 3.4Å; S240-L243 PolarHBondContact O-N 3.32Å; L241-L243 VanDerWaalsContact C-N 3.33Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3Å; L243-M246 WeakPolarHBondContact O-CB 3.49Å; L243-M246 PolarHBondContact O-N 2.96Å; L243-Y247 PolarHBondContact O-N 3.47Å; L243-L556 CarbonylContact C-O 3.6Å; L243-L556 HydrophobicContact CB-CD2 4.39Å; L243-L556 HydrophobicContact CD2-CD2 3.83Å; L243-W563 HydrophobicContact CD1-CE3 3.95Å; L243-W563 HydrophobicContact CD1-CZ3 3.8Å
244	V	96.5	Very high	94.5	Very high	34 Å²	34	48.3 Å²	48.3	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-41	177	177.8	0	0	0	0	111.3	S240 L241 Y247 L248 I557 L561	S240-V244 PolarHBondContact O-N 2.82Å; L241-V244 PolarHBondContact O-N 3.28Å; V244-Y247 WeakPolarHBondContact O-CB 3.46Å; V244-Y247 PolarHBondContact O-N 3.29Å; V244-L248 PolarHBondContact O-N 3.35Å; V244-I557 HydrophobicContact CB-CD1 4.47Å; V244-I557 HydrophobicContact CG1-CD1 4.09Å; V244-I557 HydrophobicContact CG2-CD1 4.4Å; V244-L561 HydrophobicContact CG2-CB 4.36Å
245	L	97.2	Very high	94.5	Very high	95 Å²	95	52.4 Å²	52.4	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-39.6	177.2	-178.8	63.2	0	0	0	112.1	L241 V242 L243 Y247 L248 I249	L241-L245 WeakPolarHBondContact O-CB 2.93Å; L241-L245 PolarHBondContact O-N 2.76Å; V242-L245 PolarHBondContact O-N 3.3Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-L245 PolarHBondContact O-N 3Å; L245-Y247 PolarHBondContact O-N 3.11Å; L245-L248 WeakPolarHBondContact O-CB 3.22Å; L245-L248 PolarHBondContact O-N 2.78Å; L245-L248 VanDerWaalsContact O-N 3.13Å; L245-I249 HydrophobicContact CG-CD1 4.22Å; L245-I249 WeakPolarHBondContact O-CG1 3.37Å; L245-I249 PolarHBondContact O-N 2.94Å
246	M	97.4	Very high	94.5	Very high	56 Å²	56	58.8 Å²	58.8	28%	0.276	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-37.3	174	-79.7	-77.2	-70.1	0	0	111.5	V242 L243 I249 Y250 L556	V242-M246 HydrophobicContact CG1-CG 4.36Å; V242-M246 WeakPolarHBondContact O-CB 3.29Å; V242-M246 VanDerWaalsContact O-CG 3.25Å; V242-M246 WeakPolarHBondContact O-CG 3.41Å; V242-M246 PolarHBondContact O-N 3.16Å; L243-M246 WeakPolarHBondContact O-CB 3.49Å; L243-M246 PolarHBondContact O-N 2.96Å; M246-I249 PolarHBondContact O-N 3.32Å; M246-Y250 WeakPolarHBondContact O-CB 3.38Å; M246-Y250 PolarHBondContact O-N 2.94Å; M246-L556 HydrophobicContact CB-CD1 4.06Å; M246-L556 HydrophobicContact CB-CD2 3.98Å
247	Y	97	Very high	94.3	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-41.5	174.7	-176.2	-104.7	0	0	0	112.2	L243 V244 L245 I249 Y250 I251 F553 L556 I557	L243-Y247 PolarHBondContact O-N 3.47Å; V244-Y247 WeakPolarHBondContact O-CB 3.46Å; V244-Y247 PolarHBondContact O-N 3.29Å; L245-Y247 PolarHBondContact O-N 3.11Å; Y247-I249 VanDerWaalsContact C-N 3.29Å; Y247-I249 PolarHBondContact O-N 2.77Å; Y247-Y250 HydrophobicContact CD2-CD1 4.07Å; Y247-Y250 AromaticContact CE2-CD1 3.99Å; Y247-Y250 HydrophobicContact CE2-CD1 3.99Å; Y247-Y250 HydrophobicContact CE2-CE1 4.3Å; Y247-Y250 WeakPolarHBondContact O-CB 3.26Å; Y247-Y250 PolarHBondContact O-N 3.4Å; Y247-Y250 VanDerWaalsContact O-N 3.14Å; Y247-I251 HydrophobicContact CD1-CG1 4.19Å; Y247-I251 HydrophobicContact CE1-CD1 4.11Å; Y247-I251 HydrophobicContact CE1-CG1 3.8Å; Y247-I251 HydrophobicContact CE2-CD1 4.3Å; Y247-I251 WeakPolarHBondContact O-CG1 3.27Å; Y247-I251 PolarHBondContact O-N 3.47Å; Y247-F553 HydrophobicContact CE1-CD2 4.38Å; Y247-F553 HydrophobicContact CE2-CB 4.29Å; Y247-F553 AromaticContact CE2-CD2 3.84Å; Y247-F553 HydrophobicContact CE2-CD2 3.84Å; Y247-F553 AromaticContact CZ-CD2 3.65Å; Y247-F553 WeakPolarHBondContact OH-CD2 3.45Å; Y247-L556 HydrophobicContact CD2-CB 4.45Å; Y247-L556 HydrophobicContact CD2-CD1 4.42Å; Y247-I557 HydrophobicContact CD1-CD1 3.57Å; Y247-I557 HydrophobicContact CD1-CG1 3.46Å; Y247-I557 VanDerWaalsContact CD1-CG1 3.46Å; Y247-I557 HydrophobicContact CD2-CG1 3.97Å; Y247-I557 HydrophobicContact CE1-CD1 4.34Å; Y247-I557 HydrophobicContact CE1-CG1 3.91Å; Y247-I557 HydrophobicContact CE2-CG1 4.38Å; Y247-I557 HydrophobicContact CG-CD1 3.78Å; Y247-I557 HydrophobicContact CG-CG1 3.49Å; Y247-I557 VanDerWaalsContact CG-CG1 3.49Å
248	L	96.4	Very high	93.8	Very high	99 Å²	99	57.6 Å²	57.6	52%	0.518	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-40.6	174.7	-64.1	177.3	0	0	0	111.6	V244 L245 Y250 I251 V252	V244-L248 PolarHBondContact O-N 3.35Å; L245-L248 WeakPolarHBondContact O-CB 3.22Å; L245-L248 PolarHBondContact O-N 2.78Å; L245-L248 VanDerWaalsContact O-N 3.13Å; L248-Y250 VanDerWaalsContact C-N 3.34Å; L248-I251 PolarHBondContact O-N 3.04Å; L248-V252 WeakPolarHBondContact O-CG2 3.15Å; L248-V252 PolarHBondContact O-N 3.44Å
249	I	96.3	Very high	93.3	Very high	80 Å²	80	55.4 Å²	55.4	41%	0.41	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-44.4	174.1	-68.6	167.2	0	0	0	110.4	L245 M246 Y247 I251 V252 I253	L245-I249 HydrophobicContact CG-CD1 4.22Å; L245-I249 WeakPolarHBondContact O-CG1 3.37Å; L245-I249 PolarHBondContact O-N 2.94Å; M246-I249 PolarHBondContact O-N 3.32Å; Y247-I249 VanDerWaalsContact C-N 3.29Å; Y247-I249 PolarHBondContact O-N 2.77Å; I249-I251 PolarHBondContact O-N 3.14Å; I249-V252 PolarHBondContact O-N 2.85Å; I249-I253 HydrophobicContact CG2-CD1 3.73Å; I249-I253 HydrophobicContact CG2-CG1 4.44Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.28Å; I249-I253 PolarHBondContact O-N 3.43Å
250	Y	95.9	Very high	92.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-46.1	175.5	169	-102.7	0	0	0	112.3	A151 T152 Y218 M246 Y247 L248 V252 I253 M254 V552	A151-Y250 WeakPolarHBondContact CB-OH 3.47Å; A151-Y250 PolarHBondContact O-OH 3.13Å; T152-Y250 HydrophobicContact CG2-CE1 4.24Å; Y218-Y250 HydrophobicContact CD1-CD2 4.14Å; Y218-Y250 HydrophobicContact CD2-CD2 4.12Å; Y218-Y250 HydrophobicContact CD2-CE2 4.27Å; Y218-Y250 AromaticContact CG-CD2 3.77Å; Y218-Y250 HydrophobicContact CG-CD2 3.77Å; Y218-Y250 HydrophobicContact CG-CE2 4.18Å; M246-Y250 WeakPolarHBondContact O-CB 3.38Å; M246-Y250 PolarHBondContact O-N 2.94Å; Y247-Y250 HydrophobicContact CD2-CD1 4.07Å; Y247-Y250 AromaticContact CE2-CD1 3.99Å; Y247-Y250 HydrophobicContact CE2-CD1 3.99Å; Y247-Y250 HydrophobicContact CE2-CE1 4.3Å; Y247-Y250 WeakPolarHBondContact O-CB 3.26Å; Y247-Y250 PolarHBondContact O-N 3.4Å; Y247-Y250 VanDerWaalsContact O-N 3.14Å; L248-Y250 VanDerWaalsContact C-N 3.34Å; Y250-V252 PolarHBondContact O-N 3.09Å; Y250-I253 PolarHBondContact O-N 3.05Å; Y250-M254 HydrophobicContact CD2-CE 3.96Å; Y250-M254 HydrophobicContact CE1-CG 4.4Å; Y250-M254 HydrophobicContact CE2-CE 3.2Å; Y250-M254 HydrophobicContact CE2-CG 4.23Å; Y250-M254 WeakPolarHBondContact O-CG 3.32Å; Y250-M254 PolarHBondContact O-N 3.14Å; Y250-V552 HydrophobicContact CD1-CG1 4.15Å; Y250-V552 HydrophobicContact CD2-CG1 4.33Å; Y250-V552 HydrophobicContact CE1-CG1 4.19Å; Y250-V552 HydrophobicContact CE2-CG1 4.35Å; Y250-V552 HydrophobicContact CG-CG1 4.21Å
251	I	94.7	Very high	92.4	Very high	59 Å²	59	60.6 Å²	60.6	30%	0.303	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.2	-63.9	-57	0	0	0	112.1	T152 Y247 L248 I249 I253 M254 K255	T152-I251 HydrophobicContact CG2-CD1 3.53Å; Y247-I251 HydrophobicContact CD1-CG1 4.19Å; Y247-I251 HydrophobicContact CE1-CD1 4.11Å; Y247-I251 HydrophobicContact CE1-CG1 3.8Å; Y247-I251 HydrophobicContact CE2-CD1 4.3Å; Y247-I251 WeakPolarHBondContact O-CG1 3.27Å; Y247-I251 PolarHBondContact O-N 3.47Å; L248-I251 PolarHBondContact O-N 3.04Å; I249-I251 PolarHBondContact O-N 3.14Å; I251-I253 VanDerWaalsContact C-N 3.3Å; I251-I253 PolarHBondContact O-N 3.41Å; I251-M254 PolarHBondContact O-N 2.76Å; I251-K255 PolarHBondContact O-N 2.66Å
252	V	94.1	Very high	91.7	Very high	79 Å²	79	62.1 Å²	62.1	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-41.3	176.1	170.9	0	0	0	0	110.8	L248 I249 Y250 K255 Y256	L248-V252 WeakPolarHBondContact O-CG2 3.15Å; L248-V252 PolarHBondContact O-N 3.44Å; I249-V252 PolarHBondContact O-N 2.85Å; Y250-V252 PolarHBondContact O-N 3.09Å; V252-K255 WeakPolarHBondContact O-CB 3.48Å; V252-K255 PolarHBondContact O-N 2.93Å; V252-Y256 HydrophobicContact CG1-CD2 4.07Å; V252-Y256 HydrophobicContact CG1-CE2 3.95Å; V252-Y256 WeakPolarHBondContact O-CD2 3.49Å; V252-Y256 PolarHBondContact O-N 2.99Å
253	I	92.9	Very high	91	Very high	35 Å²	35	62.4 Å²	62.4	18%	0.179	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-41.7	178.1	-68.3	167.8	0	0	0	110.9	Y218 I249 Y250 I251 K255 Y256 N257 I260	Y218-I253 HydrophobicContact CE1-CD1 3.59Å; Y218-I253 HydrophobicContact CE2-CG2 4Å; Y218-I253 WeakPolarHBondContact OH-CD1 3.17Å; Y218-I253 WeakPolarHBondContact OH-CG2 3.45Å; I249-I253 HydrophobicContact CG2-CD1 3.73Å; I249-I253 HydrophobicContact CG2-CG1 4.44Å; I249-I253 VanDerWaalsContact O-CG1 3.29Å; I249-I253 WeakPolarHBondContact O-CG1 3.28Å; I249-I253 PolarHBondContact O-N 3.43Å; Y250-I253 PolarHBondContact O-N 3.05Å; I251-I253 VanDerWaalsContact C-N 3.3Å; I251-I253 PolarHBondContact O-N 3.41Å; I253-K255 VanDerWaalsContact C-N 3.3Å; I253-K255 PolarHBondContact O-N 2.76Å; I253-Y256 CarbonylContact O-C 3.54Å; I253-Y256 PolarHBondContact O-N 2.9Å; I253-N257 PolarHBondContact O-N 3.38Å; I253-I260 HydrophobicContact CG2-CD1 3.78Å
254	M	91.8	Very high	90.3	Very high	6 Å²	6	67 Å²	67	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-36.9	175.5	-72.4	-54.9	161.5	0	0	112.6	V148 T152 R214 D215 Y218 Y250 I251 Y256 N257	V148-M254 HydrophobicContact CG1-CB 4.02Å; V148-M254 HydrophobicContact CG2-SD 4.16Å; T152-M254 HydrophobicContact CG2-CB 4.19Å; T152-M254 HydrophobicContact CG2-CG 4.06Å; R214-M254 HydrophobicContact CG-CE 4.17Å; R214-M254 VanDerWaalsContact NE-CE 3.34Å; D215-M254 WeakPolarHBondContact OD1-CE 3.27Å; Y218-M254 HydrophobicContact CD2-CE 4.44Å; Y250-M254 HydrophobicContact CD2-CE 3.96Å; Y250-M254 HydrophobicContact CE1-CG 4.4Å; Y250-M254 HydrophobicContact CE2-CE 3.2Å; Y250-M254 HydrophobicContact CE2-CG 4.23Å; Y250-M254 WeakPolarHBondContact O-CG 3.32Å; Y250-M254 PolarHBondContact O-N 3.14Å; I251-M254 PolarHBondContact O-N 2.76Å; M254-Y256 PolarHBondContact O-N 3.4Å; M254-N257 WeakPolarHBondContact O-CB 3.41Å; M254-N257 PolarHBondContact O-N 3.08Å; M254-N257 VanDerWaalsContact O-N 3.1Å
255	K	90	Very high	89.5	Confident	161 Å²	161	67.7 Å²	67.7	70%	0.7	35%	0.348	S	S	*	.	H	α-helix	trans	-58.9	-35.4	172.2	-178.2	178.3	179	178	0	112.6	I251 V252 I253	I251-K255 PolarHBondContact O-N 2.66Å; V252-K255 WeakPolarHBondContact O-CB 3.48Å; V252-K255 PolarHBondContact O-N 2.93Å; I253-K255 VanDerWaalsContact C-N 3.3Å; I253-K255 PolarHBondContact O-N 2.76Å
256	Y	89.2	Confident	88.5	Confident	135 Å²	135	71.6 Å²	71.6	53%	0.529	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	9	177.8	-65.7	-69.4	0	0	0	114	V252 I253 M254 A258 C259 I260	V252-Y256 HydrophobicContact CG1-CD2 4.07Å; V252-Y256 HydrophobicContact CG1-CE2 3.95Å; V252-Y256 WeakPolarHBondContact O-CD2 3.49Å; V252-Y256 PolarHBondContact O-N 2.99Å; I253-Y256 CarbonylContact O-C 3.54Å; I253-Y256 PolarHBondContact O-N 2.9Å; M254-Y256 PolarHBondContact O-N 3.4Å; Y256-A258 VanDerWaalsContact C-N 3.29Å; Y256-A258 PolarHBondContact O-N 2.99Å; Y256-C259 WeakPolarHBondContact O-CB 3.3Å; Y256-C259 PolarHBondContact O-N 3.12Å; Y256-I260 WeakPolarHBondContact O-CG1 3.49Å; Y256-I260 PolarHBondContact O-N 3.21Å; Y256-I260 VanDerWaalsContact O-N 3.12Å
257	N	88.6	Confident	87.4	Confident	9 Å²	9	78 Å²	78	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-51.5	-45	-176	175.3	48	0	0	0	113.1	D147 V148 W210 R214 I253 M254 C259 I260 H261	D147-N257 PolarHBondContact OD2-ND2 2.71Å; V148-N257 HydrophobicContact CG2-CB 3.91Å; V148-N257 WeakPolarHBondContact CG2-ND2 3.4Å; W210-N257 PolarHBondContact NE1-OD1 3.26Å; R214-N257 PolarHBondContact NH1-ND2 2.98Å; R214-N257 PolarHBondContact NH1-OD1 3.3Å; I253-N257 PolarHBondContact O-N 3.38Å; M254-N257 WeakPolarHBondContact O-CB 3.41Å; M254-N257 PolarHBondContact O-N 3.08Å; M254-N257 VanDerWaalsContact O-N 3.1Å; N257-C259 VanDerWaalsContact C-N 3.28Å; N257-C259 PolarHBondContact O-N 3.32Å; N257-I260 PolarHBondContact O-N 2.86Å; N257-I260 VanDerWaalsContact O-N 3.16Å; N257-H261 WeakPolarHBondContact O-CB 3.45Å; N257-H261 PolarHBondContact O-N 2.79Å
258	A	82.3	Confident	86.2	Confident	65 Å²	65	80.4 Å²	80.4	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-37.3	-179.8	0	0	0	0	0	112.9	Y256 Q262	Y256-A258 VanDerWaalsContact C-N 3.29Å; Y256-A258 PolarHBondContact O-N 2.99Å; A258-Q262 VanDerWaalsContact O-CG 3.28Å; A258-Q262 WeakPolarHBondContact O-CG 3.41Å; A258-Q262 PolarHBondContact O-N 3.36Å
259	C	84.1	Confident	84.8	Confident	82 Å²	82	80 Å²	80	55%	0.554	39%	0.389	S	S	*	.	H	α-helix	trans	-70.8	-43.1	176.7	-176	0	0	0	0	111.2	Y256 N257 Q262 C263	Y256-C259 WeakPolarHBondContact O-CB 3.3Å; Y256-C259 PolarHBondContact O-N 3.12Å; N257-C259 VanDerWaalsContact C-N 3.28Å; N257-C259 PolarHBondContact O-N 3.32Å; C259-Q262 PolarHBondContact O-N 3.35Å; C259-C263 WeakPolarHBondContact O-CB 3.29Å; C259-C263 PolarHBondContact O-N 3Å
260	I	84.1	Confident	82.7	Confident	67 Å²	67	78 Å²	78	34%	0.344	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-44.9	179.9	-59.4	170.8	0	0	0	110.4	W210 I253 Y256 N257 Q262 C263 F264	W210-I260 HydrophobicContact CH2-CG2 3.63Å; W210-I260 HydrophobicContact CZ2-CB 4.25Å; W210-I260 HydrophobicContact CZ2-CG2 3.56Å; I253-I260 HydrophobicContact CG2-CD1 3.78Å; Y256-I260 WeakPolarHBondContact O-CG1 3.49Å; Y256-I260 PolarHBondContact O-N 3.21Å; Y256-I260 VanDerWaalsContact O-N 3.12Å; N257-I260 PolarHBondContact O-N 2.86Å; N257-I260 VanDerWaalsContact O-N 3.16Å; I260-Q262 VanDerWaalsContact C-N 3.35Å; I260-Q262 PolarHBondContact O-N 2.91Å; I260-C263 WeakPolarHBondContact O-CB 3.47Å; I260-C263 PolarHBondContact O-N 3.42Å; I260-C263 VanDerWaalsContact O-N 3.13Å; I260-F264 PolarHBondContact O-N 3.05Å
261	H	83.7	Confident	80.7	Confident	57 Å²	57	80.6 Å²	80.6	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-57.5	-47.4	176.7	-173.9	-112.5	0	0	0	111.5	W210 N257 C263 F264 E265	W210-H261 AromaticContact CD1-CD2 3.31Å; W210-H261 AromaticContact CD2-CD2 3.68Å; W210-H261 AromaticContact CE2-CD2 3.84Å; W210-H261 AromaticContact CG-CD2 3.34Å; W210-H261 AromaticContact CG-NE2 3.99Å; W210-H261 AromaticContact NE1-CD2 3.59Å; N257-H261 WeakPolarHBondContact O-CB 3.45Å; N257-H261 PolarHBondContact O-N 2.79Å; H261-C263 VanDerWaalsContact C-N 3.32Å; H261-C263 PolarHBondContact O-N 2.77Å; H261-F264 PolarHBondContact O-N 3.3Å; H261-E265 VanDerWaalsContact CE1-CD 3.44Å; H261-E265 IonicContact CE1-OE1 2.77Å; H261-E265 PolarHBondContact CE1-OE1 2.93Å; H261-E265 IonicContact ND1-OE1 3.69Å; H261-E265 IonicContact NE2-OE1 3.87Å; H261-E265 WeakPolarHBondContact O-CG 3.32Å; H261-E265 PolarHBondContact O-N 2.77Å
262	Q	81.9	Confident	78.2	Confident	101 Å²	101	79.5 Å²	79.5	47%	0.472	41%	0.413	S	S	.	.	H	α-helix	trans	-62.4	-37.5	176.5	-71	177.2	23.6	0	0	112.6	A258 C259 I260 R266	A258-Q262 VanDerWaalsContact O-CG 3.28Å; A258-Q262 WeakPolarHBondContact O-CG 3.41Å; A258-Q262 PolarHBondContact O-N 3.36Å; C259-Q262 PolarHBondContact O-N 3.35Å; I260-Q262 VanDerWaalsContact C-N 3.35Å; I260-Q262 PolarHBondContact O-N 2.91Å; Q262-R266 WeakPolarHBondContact O-CB 3.44Å; Q262-R266 WeakPolarHBondContact O-CG 3.38Å; Q262-R266 PolarHBondContact O-N 3.37Å; Q262-R266 VanDerWaalsContact O-N 3.13Å
263	C	80.6	Confident	75.9	Confident	60 Å²	60	81.3 Å²	81.3	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-43.5	176.1	-174.1	0	0	0	0	111.7	C259 I260 H261 R266 R267	C259-C263 WeakPolarHBondContact O-CB 3.29Å; C259-C263 PolarHBondContact O-N 3Å; I260-C263 WeakPolarHBondContact O-CB 3.47Å; I260-C263 PolarHBondContact O-N 3.42Å; I260-C263 VanDerWaalsContact O-N 3.13Å; H261-C263 VanDerWaalsContact C-N 3.32Å; H261-C263 PolarHBondContact O-N 2.77Å; C263-R266 PolarHBondContact O-N 3.14Å; C263-R267 PolarHBondContact O-N 3.13Å
264	F	80.8	Confident	73.4	Confident	96 Å²	96	87.6 Å²	87.6	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-66.2	-43.4	179.5	-172.2	-96.6	0	0	0	112.4	W210 I260 H261 R266 R267 T268	W210-F264 HydrophobicContact CE3-CB 4.32Å; W210-F264 AromaticContact CE3-CD1 3.81Å; W210-F264 HydrophobicContact CE3-CD1 3.81Å; W210-F264 HydrophobicContact CE3-CE1 4.25Å; W210-F264 AromaticContact CE3-CG 3.97Å; W210-F264 HydrophobicContact CE3-CG 3.97Å; W210-F264 HydrophobicContact CH2-CB 3.92Å; W210-F264 HydrophobicContact CH2-CD2 4.37Å; W210-F264 HydrophobicContact CH2-CG 4.12Å; W210-F264 HydrophobicContact CZ3-CB 3.66Å; W210-F264 AromaticContact CZ3-CD1 3.72Å; W210-F264 HydrophobicContact CZ3-CD1 3.72Å; W210-F264 AromaticContact CZ3-CD2 3.67Å; W210-F264 HydrophobicContact CZ3-CD2 3.67Å; W210-F264 HydrophobicContact CZ3-CE1 4.27Å; W210-F264 HydrophobicContact CZ3-CE2 4.22Å; W210-F264 AromaticContact CZ3-CG 3.38Å; W210-F264 HydrophobicContact CZ3-CG 3.38Å; I260-F264 PolarHBondContact O-N 3.05Å; H261-F264 PolarHBondContact O-N 3.3Å; F264-R266 VanDerWaalsContact C-N 3.32Å; F264-R266 PolarHBondContact O-N 2.75Å; F264-R267 PolarHBondContact O-N 3.4Å; F264-T268 WeakPolarHBondContact CE1-OG1 3.22Å; F264-T268 PolarHBondContact O-N 2.94Å; F264-T268 PolarHBondContact O-OG1 2.89Å
265	E	79.8	Confident	71.2	Confident	50 Å²	50	93.1 Å²	93.1	23%	0.234	49%	0.485	C	S	.	.	H	α-helix	trans	-62.3	-39.4	175.1	-73.3	-173.6	148.4	0	0	112.1	H261 K269 F302	H261-E265 VanDerWaalsContact CE1-CD 3.44Å; H261-E265 IonicContact CE1-OE1 2.77Å; H261-E265 PolarHBondContact CE1-OE1 2.93Å; H261-E265 IonicContact ND1-OE1 3.69Å; H261-E265 IonicContact NE2-OE1 3.87Å; H261-E265 WeakPolarHBondContact O-CG 3.32Å; H261-E265 PolarHBondContact O-N 2.77Å; E265-K269 WeakPolarHBondContact O-CB 3.33Å; E265-K269 WeakPolarHBondContact O-CG 3.41Å; E265-K269 PolarHBondContact O-N 3.07Å; E265-F302 VanDerWaalsContact OE1-CE1 3.29Å; E265-F302 WeakPolarHBondContact OE1-CE1 3.39Å; E265-F302 WeakPolarHBondContact OE1-CZ 3.47Å; E265-F302 WeakPolarHBondContact OE2-CZ 3.26Å
266	R	76.7	Confident	68.5	Low	177 Å²	177	91.3 Å²	91.3	67%	0.668	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-42.5	175	-74.4	172.7	-168.9	-171.4	5.9	111.6	Q262 C263 F264 G270	Q262-R266 WeakPolarHBondContact O-CB 3.44Å; Q262-R266 WeakPolarHBondContact O-CG 3.38Å; Q262-R266 PolarHBondContact O-N 3.37Å; Q262-R266 VanDerWaalsContact O-N 3.13Å; C263-R266 PolarHBondContact O-N 3.14Å; F264-R266 VanDerWaalsContact C-N 3.32Å; F264-R266 PolarHBondContact O-N 2.75Å; R266-G270 PolarHBondContact O-N 3.44Å
267	R	75	Confident	65.9	Low	189 Å²	189	88.6 Å²	88.6	71%	0.713	50%	0.496	S	S	*	.	H	α-helix	trans	-67.9	-44	178.2	-77	-174.6	177.2	-170.4	-0.1	112.7	C263 F264 G270 A271	C263-R267 PolarHBondContact O-N 3.13Å; F264-R267 PolarHBondContact O-N 3.4Å; R267-G270 PolarHBondContact O-N 2.97Å; R267-A271 PolarHBondContact O-N 2.95Å
268	T	71.8	Confident	63.1	Low	77 Å²	77	94.7 Å²	94.7	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-43	179.6	-54.3	0	0	0	0	111.1	F264 A271 G272	F264-T268 WeakPolarHBondContact CE1-OG1 3.22Å; F264-T268 PolarHBondContact O-N 2.94Å; F264-T268 PolarHBondContact O-OG1 2.89Å; T268-A271 PolarHBondContact O-N 3.06Å; T268-G272 PolarHBondContact O-N 3.02Å; T268-G272 VanDerWaalsContact O-N 3.15Å
269	K	66.6	Low	60.5	Low	92 Å²	92	95.9 Å²	95.9	40%	0.4	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-37.3	173.6	-69.7	178.3	-179.8	176.5	0	112.3	E265 G272 N273 F302	E265-K269 WeakPolarHBondContact O-CB 3.33Å; E265-K269 WeakPolarHBondContact O-CG 3.41Å; E265-K269 PolarHBondContact O-N 3.07Å; K269-G272 PolarHBondContact O-N 3.32Å; K269-N273 PolarHBondContact O-N 3.28Å; K269-F302 VanDerWaalsContact NZ-CE2 3.32Å
270	G	52.5	Low	58	Low	38 Å²	38	98.5 Å²	98.5	39%	0.392	55%	0.546	S	S	.	.	H	α-helix	trans	-62.2	-40.6	175.1	0	0	0	0	0	113.2	R266 R267 N273 M274	R266-G270 PolarHBondContact O-N 3.44Å; R267-G270 PolarHBondContact O-N 2.97Å; G270-N273 PolarHBondContact O-N 3.47Å; G270-M274 PolarHBondContact O-N 3.45Å
271	A	52.8	Low	55.2	Low	58 Å²	58	102.5 Å²	102.5	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-67.6	-41.1	175.4	0	0	0	0	0	112.2	R267 T268 N273 M274 V275	R267-A271 PolarHBondContact O-N 2.95Å; T268-A271 PolarHBondContact O-N 3.06Å; A271-N273 VanDerWaalsContact C-N 3.33Å; A271-N273 PolarHBondContact O-N 3.25Å; A271-M274 PolarHBondContact O-N 2.94Å; A271-V275 WeakPolarHBondContact O-CG2 3.44Å; A271-V275 PolarHBondContact O-N 2.88Å
272	G	43.8	Very low	52.6	Low	35 Å²	35	104.4 Å²	104.4	36%	0.361	59%	0.594	S	S	.	*	H	α-helix	trans	-61.9	-37.6	174.9	0	0	0	0	0	113.5	T268 K269 V275 N276	T268-G272 PolarHBondContact O-N 3.02Å; T268-G272 VanDerWaalsContact O-N 3.15Å; K269-G272 PolarHBondContact O-N 3.32Å; G272-V275 PolarHBondContact O-N 2.88Å; G272-N276 PolarHBondContact O-N 3.5Å; G272-N276 VanDerWaalsContact O-N 3.13Å
273	N	45.4	Very low	50.1	Low	118 Å²	118	108.5 Å²	108.5	63%	0.631	61%	0.613	S	S	*	*	H	α-helix	trans	-72.8	-23.1	176	-80.7	25	0	0	0	113.7	K269 G270 A271	K269-N273 PolarHBondContact O-N 3.28Å; G270-N273 PolarHBondContact O-N 3.47Å; A271-N273 VanDerWaalsContact C-N 3.33Å; A271-N273 PolarHBondContact O-N 3.25Å
274	M	40.8	Very low	47.7	Very low	167 Å²	167	112.8 Å²	112.8	82%	0.823	63%	0.63	S	S	*	*	H	α-helix	trans	-77.5	-29.6	171.6	-84	-174.5	64.4	0	0	112.6	G270 A271	G270-M274 PolarHBondContact O-N 3.45Å; A271-M274 PolarHBondContact O-N 2.94Å
275	V	45.1	Very low	45.2	Very low	122 Å²	122	115 Å²	115	74%	0.739	65%	0.646	S	S	*	*	H	α-helix	trans	-78.9	-37.5	179.3	175.4	0	0	0	0	111.6	A271 G272 G277	A271-V275 WeakPolarHBondContact O-CG2 3.44Å; A271-V275 PolarHBondContact O-N 2.88Å; G272-V275 PolarHBondContact O-N 2.88Å; V275-G277 PolarHBondContact O-N 3.06Å
276	N	34.2	Very low	42.7	Very low	123 Å²	123	119 Å²	119	66%	0.658	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	94.5	169.4	-73.7	-9.7	0	0	0	108.2	G272 L278	G272-N276 PolarHBondContact O-N 3.5Å; G272-N276 VanDerWaalsContact O-N 3.13Å; N276-L278 PolarHBondContact O-N 3.06Å
277	G	32.8	Very low	40.3	Very low	77 Å²	77	115.4 Å²	115.4	79%	0.794	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	55.1	-175.5	0	0	0	0	0	116.8	V275	V275-G277 PolarHBondContact O-N 3.06Å
278	L	31.2	Very low	38	Very low	137 Å²	137	112 Å²	112	72%	0.717	68%	0.677	S	S	*	*			trans	-97.1	95	165.9	-134.1	76.4	0	0	0	107.5	N276 N280	N276-L278 PolarHBondContact O-N 3.06Å; L278-N280 PolarHBondContact O-N 2.87Å
279	A	27.9	Very low	35.8	Very low	91 Å²	91	116 Å²	116	75%	0.752	70%	0.695	S	S	*	*			trans	-59.2	97.6	166.6	0	0	0	0	0	109
280	N	30	Very low	33.9	Very low	136 Å²	136	118 Å²	118	73%	0.727	72%	0.719	S	S	*	*			trans	-87.2	114.9	157.8	-83.7	0.1	0	0	0	106.9	L278 A282	L278-N280 PolarHBondContact O-N 2.87Å; N280-A282 PolarHBondContact O-N 3.38Å
281	N	27.1	Very low	32.7	Very low	152 Å²	152	122.4 Å²	122.4	81%	0.813	73%	0.734	S	S	*	*			trans	-37.2	115.7	-179	-63.2	-30.7	0	0	0	112.3	E283	N281-E283 VanDerWaalsContact C-N 3.35Å; N281-E283 PolarHBondContact O-N 3.18Å; N281-E283 VanDerWaalsContact O-N 3.14Å
282	A	28.2	Very low	31.9	Very low	96 Å²	96	123.1 Å²	123.1	79%	0.793	74%	0.74	S	S	*	*			trans	-73.5	91.2	163.6	0	0	0	0	0	107.7	N280	N280-A282 PolarHBondContact O-N 3.38Å
283	E	30.1	Very low	31.3	Very low	187 Å²	187	126.3 Å²	126.3	87%	0.874	75%	0.752	S	S	*	*			trans	-91.1	107.3	155.6	-79.8	-176.3	168.9	0	0	108.1	N281	N281-E283 VanDerWaalsContact C-N 3.35Å; N281-E283 PolarHBondContact O-N 3.18Å; N281-E283 VanDerWaalsContact O-N 3.14Å
284	I	30	Very low	30.8	Very low	150 Å²	150	126.3 Å²	126.3	77%	0.769	76%	0.756	S	S	*	*			trans	-63.1	127.3	159.7	-66.1	163.1	0	0	0	107.1
285	D	27.7	Very low	30.6	Very low	143 Å²	143	123.3 Å²	123.3	77%	0.765	75%	0.747	S	S	*	*				-171.1	160.1	119.1	-127.5	-19	0	0	0	114.2
286	D	26.8	Very low	30	Very low	135 Å²	135	122.5 Å²	122.5	72%	0.722	74%	0.738	S	S	*	*			trans	-64.6	156.1	-163.5	-76.9	-44.1	0	0	0	119
287	S	26.7	Very low	30.1	Very low	100 Å²	100	123.4 Å²	123.4	70%	0.699	74%	0.742	S	S	*	*			trans	51.5	125.4	139.7	73.7	0	0	0	0	120.7
288	S	26.8	Very low	30	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	74%	0.739	S	S	*	*			trans	77.8	130.9	162.3	82.5	0	0	0	0	116.9
289	N	25.1	Very low	30	Very low	159 Å²	159	128.2 Å²	128.2	85%	0.85	74%	0.736	S	S	*	*			trans	75.6	86.7	-177.8	-80.6	1.4	0	0	0	118.1	D291	N289-D291 PolarHBondContact O-N 3.43Å
290	C	27.1	Very low	30.3	Very low	135 Å²	135	128 Å²	128	91%	0.912	73%	0.734	S	S	*	*			trans	-34.6	93.9	148.7	-51.9	0	0	0	0	113.8
291	D	26.3	Very low	30.1	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	74%	0.736	S	S	*	*			trans	-92	109.5	160.5	-108.5	-27.3	0	0	0	109.3	N289 T293	N289-D291 PolarHBondContact O-N 3.43Å; D291-T293 PolarHBondContact O-N 2.79Å
292	A	36	Very low	30.4	Very low	73 Å²	73	125.9 Å²	125.9	60%	0.603	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-4.4	-173.3	0	0	0	0	0	114.7
293	T	32.8	Very low	30.4	Very low	101 Å²	101	131.1 Å²	131.1	62%	0.62	73%	0.726	S	S	*	*	H	α-helix	trans	-75	-30.3	-173	-12.4	0	0	0	0	113.3	D291	D291-T293 PolarHBondContact O-N 2.79Å
294	V	34.9	Very low	30.3	Very low	119 Å²	119	132.2 Å²	132.2	72%	0.721	72%	0.721	S	S	*	*	H	α-helix	trans	-83	-21.6	-178.1	-179.9	0	0	0	0	112.2
295	V	34.9	Very low	30.1	Very low	104 Å²	104	134.5 Å²	134.5	63%	0.63	73%	0.726	S	S	*	*	H	α-helix	trans	-74.8	-30.5	-178.8	179.9	0	0	0	0	112.1
296	L	33.3	Very low	30.1	Very low	104 Å²	104	132 Å²	132	55%	0.545	73%	0.725	S	S	.	*	H	α-helix	trans	-79.8	-40.1	-175.7	-73	-178.3	0	0	0	114	K298 K299	L296-K298 PolarHBondContact O-N 2.93Å; L296-K299 PolarHBondContact O-N 3.2Å
297	L	36.1	Very low	30.2	Very low	142 Å²	142	129.6 Å²	129.6	74%	0.743	72%	0.719	S	S	*	*	H	α-helix	trans	-66.9	-25.3	179.6	-77.1	173.2	0	0	0	113.1	K299	L297-K299 VanDerWaalsContact C-N 3.27Å; L297-K299 PolarHBondContact O-N 3.41Å
298	K	30.3	Very low	30.3	Very low	166 Å²	166	131.2 Å²	131.2	72%	0.722	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-11.7	174.9	-160.7	167	-176.4	170.9	0	113.4	L296	L296-K298 PolarHBondContact O-N 2.93Å
299	K	30.8	Very low	31.1	Very low	150 Å²	150	131.1 Å²	131.1	65%	0.652	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-6.5	-174.6	-158.4	158.4	-176.6	175.5	0	114.6	L296 L297 N301	L296-K299 PolarHBondContact O-N 3.2Å; L297-K299 VanDerWaalsContact C-N 3.27Å; L297-K299 PolarHBondContact O-N 3.41Å; K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.2Å
300	A	34.4	Very low	31.8	Very low	86 Å²	86	128.8 Å²	128.8	71%	0.711	70%	0.699	S	S	*	*	S	Bend	trans	-74	-12.6	177	0	0	0	0	0	114.7	F302	A300-F302 PolarHBondContact O-N 3.06Å
301	N	26.5	Very low	32.8	Very low	147 Å²	147	124.8 Å²	124.8	79%	0.786	67%	0.67	S	S	*	*			trans	-101.2	48.6	175.4	-81.3	-5.1	0	0	0	112.9	K299	K299-N301 VanDerWaalsContact C-N 3.29Å; K299-N301 PolarHBondContact O-N 3.2Å
302	F	34.6	Very low	33.4	Very low	97 Å²	97	121.6 Å²	121.6	43%	0.425	65%	0.653	S	S	.	*			trans	-109.7	116.5	164.4	-101.7	-86	0	0	0	110.5	E265 K269 A300 R304	E265-F302 VanDerWaalsContact OE1-CE1 3.29Å; E265-F302 WeakPolarHBondContact OE1-CE1 3.39Å; E265-F302 WeakPolarHBondContact OE1-CZ 3.47Å; E265-F302 WeakPolarHBondContact OE2-CZ 3.26Å; K269-F302 VanDerWaalsContact NZ-CE2 3.32Å; A300-F302 PolarHBondContact O-N 3.06Å; F302-R304 PolarHBondContact O-N 3.48Å
303	H	26.7	Very low	34	Very low	206 Å²	206	123.7 Å²	123.7	95%	0.954	65%	0.65	S	S	*	*			trans	-62.6	48.4	159.8	-90.6	-79.9	0	0	0	111.9
304	R	28.7	Very low	34.5	Very low	209 Å²	209	122.2 Å²	122.2	79%	0.789	64%	0.638	S	S	*	*			trans	-86	109.7	158.2	-153.6	174.1	-151.8	-172.9	4.7	105	F302 A306	F302-R304 PolarHBondContact O-N 3.48Å; R304-A306 PolarHBondContact O-N 3.48Å; R304-A306 VanDerWaalsContact O-N 3.12Å
305	K	25	Very low	35	Very low	199 Å²	199	119.2 Å²	119.2	87%	0.865	62%	0.617	S	S	*	*			trans	-42.8	125.6	163.1	-86.7	177.1	174.5	177.5	0	106.6	S307	K305-S307 VanDerWaalsContact C-N 3.3Å; K305-S307 PolarHBondContact O-N 3.26Å
306	A	27.3	Very low	35.7	Very low	90 Å²	90	119 Å²	119	74%	0.744	62%	0.621	S	S	*	*			trans	-56.9	95.7	179.6	0	0	0	0	0	108.6	R304 V308	R304-A306 PolarHBondContact O-N 3.48Å; R304-A306 VanDerWaalsContact O-N 3.12Å; A306-V308 PolarHBondContact O-N 2.96Å
307	S	30.1	Very low	36.5	Very low	84 Å²	84	116.7 Å²	116.7	59%	0.587	62%	0.616	S	S	*	*			trans	-59.8	117.4	145.5	57.1	0	0	0	0	103.6	K305 I309	K305-S307 VanDerWaalsContact C-N 3.3Å; K305-S307 PolarHBondContact O-N 3.26Å; S307-I309 PolarHBondContact O-N 3.05Å
308	V	29.4	Very low	37	Very low	134 Å²	134	115.8 Å²	115.8	81%	0.812	60%	0.604	S	S	*	*			trans	-59.3	83	179.8	-179.4	0	0	0	0	107.7	A306 M310	A306-V308 PolarHBondContact O-N 2.96Å; V308-M310 PolarHBondContact O-N 3.35Å
309	I	42.1	Very low	37.7	Very low	118 Å²	118	112.1 Å²	112.1	61%	0.605	60%	0.597	S	S	*	*			trans	-73.5	118.6	161.7	-107.3	167.5	0	0	0	103.9	S307 V311	S307-I309 PolarHBondContact O-N 3.05Å; I309-V311 PolarHBondContact O-N 3.19Å; I309-V311 VanDerWaalsContact O-N 3.13Å
310	M	39.9	Very low	38.5	Very low	110 Å²	110	112 Å²	112	54%	0.542	60%	0.598	S	S	.	*			trans	-58.8	120.9	-178.9	-77.6	-175.3	41.5	0	0	108.8	V308 D312 E313	V308-M310 PolarHBondContact O-N 3.35Å; M310-D312 HydrophobicContact CE-CB 4.46Å; M310-D312 PolarHBondContact O-N 2.85Å; M310-D312 VanDerWaalsContact O-N 3.13Å; M310-E313 WeakPolarHBondContact O-CB 3.31Å; M310-E313 PolarHBondContact O-N 3.42Å
311	V	48	Very low	38.9	Very low	50 Å²	50	113.2 Å²	113.2	30%	0.303	59%	0.59	S	S	.	*	H	α-helix	trans	-55.5	-31.1	-179.8	177.5	0	0	0	0	110.9	I309 E313 L314 L315	I309-V311 PolarHBondContact O-N 3.19Å; I309-V311 VanDerWaalsContact O-N 3.13Å; V311-E313 PolarHBondContact O-N 3.21Å; V311-L314 PolarHBondContact O-N 3.26Å; V311-L315 HydrophobicContact CG1-CD1 3.86Å; V311-L315 PolarHBondContact O-N 3.11Å
312	D	40.4	Very low	40.1	Very low	65 Å²	65	108.1 Å²	108.1	35%	0.348	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-36.6	176.6	-65.9	-33.6	0	0	0	113.3	M310 L314 L315 S316	M310-D312 HydrophobicContact CE-CB 4.46Å; M310-D312 PolarHBondContact O-N 2.85Å; M310-D312 VanDerWaalsContact O-N 3.13Å; D312-L314 VanDerWaalsContact C-N 3.29Å; D312-L314 PolarHBondContact O-N 3.18Å; D312-L315 PolarHBondContact O-N 3.33Å; D312-S316 WeakPolarHBondContact O-CB 3.4Å; D312-S316 PolarHBondContact O-N 2.87Å
313	E	48.6	Very low	41.5	Very low	116 Å²	116	106.7 Å²	106.7	54%	0.542	56%	0.564	S	S	.	*	H	α-helix	trans	-70.5	-33.1	-179.1	-146	157.7	-150.8	0	0	110.6	M310 V311 A317	M310-E313 WeakPolarHBondContact O-CB 3.31Å; M310-E313 PolarHBondContact O-N 3.42Å; V311-E313 PolarHBondContact O-N 3.21Å; E313-A317 WeakPolarHBondContact O-CB 3.45Å; E313-A317 PolarHBondContact O-N 3.13Å
314	L	43.3	Very low	43.4	Very low	71 Å²	71	100.5 Å²	100.5	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-72.5	-40.2	173	-149.7	98.6	0	0	0	112.3	V311 D312 Y318	V311-L314 PolarHBondContact O-N 3.26Å; D312-L314 VanDerWaalsContact C-N 3.29Å; D312-L314 PolarHBondContact O-N 3.18Å; L314-Y318 PolarHBondContact O-N 3.31Å; L314-Y318 VanDerWaalsContact O-N 3.09Å
315	L	45.7	Very low	45.4	Very low	55 Å²	55	92.8 Å²	92.8	29%	0.288	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-41.3	175.8	-86	158.8	0	0	0	111.9	V311 D312 L322	V311-L315 HydrophobicContact CG1-CD1 3.86Å; V311-L315 PolarHBondContact O-N 3.11Å; D312-L315 PolarHBondContact O-N 3.33Å; L315-L322 HydrophobicContact CD2-CD1 3.99Å
316	S	48.9	Very low	47.1	Very low	101 Å²	101	86.9 Å²	86.9	71%	0.706	49%	0.488	S	S	*	.	H	α-helix	trans	-68	-43.5	177.2	179.3	0	0	0	0	111.4	D312	D312-S316 WeakPolarHBondContact O-CB 3.4Å; D312-S316 PolarHBondContact O-N 2.87Å
317	A	48.8	Very low	49.1	Very low	54 Å²	54	83.5 Å²	83.5	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-71.9	-35	-177.9	0	0	0	0	0	113.3	E313	E313-A317 WeakPolarHBondContact O-CB 3.45Å; E313-A317 PolarHBondContact O-N 3.13Å
318	Y	46.6	Very low	51.1	Low	123 Å²	123	79.6 Å²	79.6	48%	0.482	43%	0.433	S	S	.	.			trans	-142.5	65.3	-171.9	-54.8	-75.7	0	0	0	114.6	L314 H320 Q321	L314-Y318 PolarHBondContact O-N 3.31Å; L314-Y318 VanDerWaalsContact O-N 3.09Å; Y318-H320 PolarHBondContact O-N 3.16Å; Y318-Q321 PolarHBondContact O-N 3.49Å
319	P	46.8	Very low	53	Low	90 Å²	90	76.7 Å²	76.7	58%	0.584	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-64.5	-25.9	-179	25.1	-34.4	0	0	0	113.7
320	H	46.9	Very low	54	Low	146 Å²	146	75.7 Å²	75.7	68%	0.676	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-87.2	-2.3	-173.2	59.3	-86.1	0	0	0	114.5	Y318	Y318-H320 PolarHBondContact O-N 3.16Å
321	Q	42.8	Very low	55.5	Low	113 Å²	113	71.6 Å²	71.6	53%	0.528	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-103.3	-8.8	-176.2	-63.4	-169.5	-4.5	0	0	114.1	Y318	Y318-Q321 PolarHBondContact O-N 3.49Å
322	L	52.5	Low	56.5	Low	40 Å²	40	72.7 Å²	72.7	21%	0.209	38%	0.384	C	S	.	.	S	Bend	trans	-94.4	119.8	-178.5	-74.2	150.1	0	0	0	110.3	L315 E326 A327	L315-L322 HydrophobicContact CD2-CD1 3.99Å; L322-E326 HydrophobicContact CD2-CB 4.34Å; L322-E326 HydrophobicContact CD2-CG 3.94Å; L322-A327 HydrophobicContact CB-CB 4.25Å
323	S	62.4	Low	57.8	Low	67 Å²	67	75.5 Å²	75.5	47%	0.469	40%	0.398	S	S	.	.			trans	-54.1	142.4	162.1	167.1	0	0	0	0	109.3	S325 E326 A327	S323-S325 PolarHBondContact O-N 2.93Å; S323-S325 VanDerWaalsContact O-N 3.12Å; S323-S325 PolarHBondContact OG-N 2.77Å; S323-S325 PolarHBondContact OG-OG 2.86Å; S323-E326 PolarHBondContact O-N 3.09Å; S323-A327 PolarHBondContact O-N 2.95Å
324	F	68.2	Low	58.6	Low	76 Å²	76	71.6 Å²	71.6	33%	0.333	38%	0.382	S	S	.	.	H	α-helix	trans	-50.2	-39.4	175.7	-178	-95.1	0	0	0	112.6	E326 G328 R348 N352	F324-E326 VanDerWaalsContact C-N 3.34Å; F324-E326 PolarHBondContact O-N 2.84Å; F324-G328 PolarHBondContact O-N 3.18Å; F324-R348 HydrophobicContact CE1-CB 3.96Å; F324-R348 HydrophobicContact CZ-CB 3.64Å; F324-N352 HydrophobicContact CD1-CB 4.33Å; F324-N352 VanDerWaalsContact CD1-ND2 3.29Å; F324-N352 WeakPolarHBondContact CD1-ND2 3.46Å; F324-N352 HydrophobicContact CE1-CB 4.38Å
325	S	69.2	Low	59.9	Low	46 Å²	46	73.4 Å²	73.4	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-65.6	-35.2	177.2	56.8	0	0	0	0	113	S323 L329	S323-S325 PolarHBondContact O-N 2.93Å; S323-S325 VanDerWaalsContact O-N 3.12Å; S323-S325 PolarHBondContact OG-N 2.77Å; S323-S325 PolarHBondContact OG-OG 2.86Å; S325-L329 WeakPolarHBondContact O-CB 3.08Å; S325-L329 PolarHBondContact O-N 3.16Å
326	E	62.3	Low	60.8	Low	75 Å²	75	77 Å²	77	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-79.6	-40.2	-178.5	-172.8	151.1	169.8	0	0	112	L322 S323 F324 G328 L329 R330	L322-E326 HydrophobicContact CD2-CB 4.34Å; L322-E326 HydrophobicContact CD2-CG 3.94Å; S323-E326 PolarHBondContact O-N 3.09Å; F324-E326 VanDerWaalsContact C-N 3.34Å; F324-E326 PolarHBondContact O-N 2.84Å; E326-G328 VanDerWaalsContact C-N 3.33Å; E326-L329 PolarHBondContact O-N 3.38Å; E326-R330 WeakPolarHBondContact O-CB 3.19Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE1-CZ 3.68Å; E326-R330 IonicContact OE1-NE 3.48Å; E326-R330 PolarHBondContact OE1-NE 2.75Å; E326-R330 IonicContact OE1-NH2 2.95Å; E326-R330 PolarHBondContact OE1-NH2 3.35Å
327	A	68.3	Low	62.1	Low	20 Å²	20	74.5 Å²	74.5	17%	0.165	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-44.5	170.2	0	0	0	0	0	111.2	L322 S323 R330 I331	L322-A327 HydrophobicContact CB-CB 4.25Å; S323-A327 PolarHBondContact O-N 2.95Å; A327-R330 PolarHBondContact O-N 3.2Å; A327-I331 WeakPolarHBondContact O-CG1 3.25Å; A327-I331 PolarHBondContact O-N 2.98Å
328	G	72.2	Confident	63.3	Low	1 Å²	1	75.4 Å²	75.4	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-46.3	176.7	0	0	0	0	0	113.1	F324 E326 R330 I331 M332	F324-G328 PolarHBondContact O-N 3.18Å; E326-G328 VanDerWaalsContact C-N 3.33Å; G328-R330 PolarHBondContact O-N 3.34Å; G328-I331 PolarHBondContact O-N 3.5Å; G328-M332 WeakPolarHBondContact O-CB 3.32Å; G328-M332 PolarHBondContact O-N 3.5Å
329	L	69.2	Low	64.6	Low	73 Å²	73	73.9 Å²	73.9	38%	0.382	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-43.8	177.3	-177.4	63.6	0	0	0	111.8	S325 E326 M332 I333	S325-L329 WeakPolarHBondContact O-CB 3.08Å; S325-L329 PolarHBondContact O-N 3.16Å; E326-L329 PolarHBondContact O-N 3.38Å; L329-M332 HydrophobicContact CD1-CE 3.63Å; L329-M332 PolarHBondContact O-N 2.99Å; L329-I333 HydrophobicContact CD1-CD1 3.83Å; L329-I333 HydrophobicContact CD1-CG1 4.31Å; L329-I333 HydrophobicContact CD2-CD1 4.48Å; L329-I333 HydrophobicContact CG-CD1 3.75Å; L329-I333 VanDerWaalsContact O-CG1 3.29Å; L329-I333 WeakPolarHBondContact O-CG1 3.21Å; L329-I333 PolarHBondContact O-N 2.82Å; L329-I333 VanDerWaalsContact O-N 3.08Å
330	R	63.6	Low	65.9	Low	97 Å²	97	78.2 Å²	78.2	37%	0.366	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-41.8	178.7	-73.5	178	-174.9	-125.7	3.9	112.3	E326 A327 G328 M332 I333 T334	E326-R330 WeakPolarHBondContact O-CB 3.19Å; E326-R330 WeakPolarHBondContact O-CG 3.4Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE1-CZ 3.68Å; E326-R330 IonicContact OE1-NE 3.48Å; E326-R330 PolarHBondContact OE1-NE 2.75Å; E326-R330 IonicContact OE1-NH2 2.95Å; E326-R330 PolarHBondContact OE1-NH2 3.35Å; A327-R330 PolarHBondContact O-N 3.2Å; G328-R330 PolarHBondContact O-N 3.34Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 2.78Å; R330-I333 PolarHBondContact O-N 3.45Å; R330-T334 WeakPolarHBondContact O-CG2 3.39Å; R330-T334 PolarHBondContact O-N 3.19Å; R330-T334 VanDerWaalsContact O-N 3.1Å
331	I	70.6	Confident	67.5	Low	24 Å²	24	74 Å²	74	12%	0.123	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-37	174.5	-71.4	164.1	0	0	0	111.2	A327 G328 T334 F337 T341 R342 M345	A327-I331 WeakPolarHBondContact O-CG1 3.25Å; A327-I331 PolarHBondContact O-N 2.98Å; G328-I331 PolarHBondContact O-N 3.5Å; I331-T334 WeakPolarHBondContact O-CG2 3.26Å; I331-F337 HydrophobicContact CB-CD2 4.19Å; I331-F337 HydrophobicContact CB-CE2 4.33Å; I331-F337 HydrophobicContact CG1-CD2 4.21Å; I331-F337 HydrophobicContact CG1-CE2 3.85Å; I331-F337 HydrophobicContact CG2-CD2 3.7Å; I331-F337 HydrophobicContact CG2-CE2 4.21Å; I331-F337 HydrophobicContact CG2-CG 4.2Å; I331-T341 HydrophobicContact CG2-CG2 4.27Å; I331-R342 WeakPolarHBondContact O-CG 3.09Å; I331-M345 HydrophobicContact CB-CG 4.32Å; I331-M345 HydrophobicContact CD1-CE 3.36Å; I331-M345 HydrophobicContact CD1-CG 4.27Å; I331-M345 HydrophobicContact CG2-CB 4.17Å; I331-M345 HydrophobicContact CG2-CG 3.77Å
332	M	69.4	Low	69.2	Low	73 Å²	73	72.3 Å²	72.3	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-70.2	-36.5	179.7	-173.5	175.3	59.6	0	0	113.3	G328 L329 R330 R342 A346	G328-M332 WeakPolarHBondContact O-CB 3.32Å; G328-M332 PolarHBondContact O-N 3.5Å; L329-M332 HydrophobicContact CD1-CE 3.63Å; L329-M332 PolarHBondContact O-N 2.99Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 2.78Å; M332-R342 WeakPolarHBondContact O-CD 3.41Å; M332-A346 HydrophobicContact SD-CB 3.74Å
333	I	66.9	Low	70.5	Confident	125 Å²	125	76.4 Å²	76.4	64%	0.641	40%	0.403	S	S	*	.	H	α-helix	trans	-82	-31.5	-177.1	-59.6	163.6	0	0	0	111.8	L329 R330	L329-I333 HydrophobicContact CD1-CD1 3.83Å; L329-I333 HydrophobicContact CD1-CG1 4.31Å; L329-I333 HydrophobicContact CD2-CD1 4.48Å; L329-I333 HydrophobicContact CG-CD1 3.75Å; L329-I333 VanDerWaalsContact O-CG1 3.29Å; L329-I333 WeakPolarHBondContact O-CG1 3.21Å; L329-I333 PolarHBondContact O-N 2.82Å; L329-I333 VanDerWaalsContact O-N 3.08Å; R330-I333 PolarHBondContact O-N 3.45Å
334	T	65.8	Low	71.4	Confident	34 Å²	34	76 Å²	76	21%	0.209	40%	0.4	C	S	.	.			trans	-72.9	133.7	-179.7	-172.1	0	0	0	0	111.8	R330 I331 H336 F337	R330-T334 WeakPolarHBondContact O-CG2 3.39Å; R330-T334 PolarHBondContact O-N 3.19Å; R330-T334 VanDerWaalsContact O-N 3.1Å; I331-T334 WeakPolarHBondContact O-CG2 3.26Å; T334-H336 PolarHBondContact O-N 2.75Å; T334-F337 HydrophobicContact CG2-CD2 3.26Å; T334-F337 HydrophobicContact CG2-CE2 3.5Å; T334-F337 VanDerWaalsContact CG2-CE2 3.5Å; T334-F337 HydrophobicContact CG2-CG 4.42Å
335	S	70.7	Confident	71.9	Confident	109 Å²	109	74 Å²	74	76%	0.762	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.8	-180	54.9	0	0	0	0	113.6	F337	S335-F337 VanDerWaalsContact C-N 3.29Å; S335-F337 PolarHBondContact O-N 3.41Å
336	H	65.2	Low	72.3	Confident	131 Å²	131	72.9 Å²	72.9	61%	0.606	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.6	-178.6	-173.6	-107.7	0	0	0	112.9	T334	T334-H336 PolarHBondContact O-N 2.75Å
337	F	75	Confident	73.1	Confident	47 Å²	47	71.9 Å²	71.9	21%	0.206	39%	0.387	C	S	.	.	S	Bend	trans	-89.9	139.8	-177.7	-61.5	-65.4	0	0	0	112.6	I331 T334 S335 T341 R342	I331-F337 HydrophobicContact CB-CD2 4.19Å; I331-F337 HydrophobicContact CB-CE2 4.33Å; I331-F337 HydrophobicContact CG1-CD2 4.21Å; I331-F337 HydrophobicContact CG1-CE2 3.85Å; I331-F337 HydrophobicContact CG2-CD2 3.7Å; I331-F337 HydrophobicContact CG2-CE2 4.21Å; I331-F337 HydrophobicContact CG2-CG 4.2Å; T334-F337 HydrophobicContact CG2-CD2 3.26Å; T334-F337 HydrophobicContact CG2-CE2 3.5Å; T334-F337 VanDerWaalsContact CG2-CE2 3.5Å; T334-F337 HydrophobicContact CG2-CG 4.42Å; S335-F337 VanDerWaalsContact C-N 3.29Å; S335-F337 PolarHBondContact O-N 3.41Å; F337-T341 HydrophobicContact CB-CG2 4.23Å; F337-T341 HydrophobicContact CD1-CG2 4.49Å; F337-T341 HydrophobicContact CG-CG2 4.45Å; F337-R342 HydrophobicContact CB-CG 4.27Å; F337-R342 PolarHBondContact O-NE 3.29Å
338	P	74.7	Confident	73.6	Confident	73 Å²	73	77.9 Å²	77.9	47%	0.474	41%	0.405	S	S	.	.			trans	-61.4	154.7	179.3	21.9	-30.2	0	0	0	111.7	K340 T341 R342	P338-K340 PolarHBondContact O-N 3.41Å; P338-K340 VanDerWaalsContact O-N 3.09Å; P338-T341 PolarHBondContact O-N 3.41Å; P338-R342 PolarHBondContact O-N 3.36Å
339	P	74.4	Confident	74	Confident	91 Å²	91	80.4 Å²	80.4	59%	0.591	42%	0.417	S	S	*	.	H	α-helix	trans	-53.7	-34.7	-175.8	-25.1	32.4	0	0	0	114	R342 L343	P339-R342 PolarHBondContact O-N 2.81Å; P339-L343 WeakPolarHBondContact O-CB 3.22Å; P339-L343 PolarHBondContact O-N 2.74Å
340	K	73.5	Confident	74.5	Confident	182 Å²	182	82.8 Å²	82.8	79%	0.791	43%	0.43	S	S	*	.	H	α-helix	trans	-61.8	-43.5	176.8	-70.6	-176.9	178.3	175.3	0	112.3	P338 L343 S344	P338-K340 PolarHBondContact O-N 3.41Å; P338-K340 VanDerWaalsContact O-N 3.09Å; K340-L343 PolarHBondContact O-N 3.36Å; K340-S344 WeakPolarHBondContact O-CB 3.44Å; K340-S344 PolarHBondContact O-N 3.24Å
341	T	80.9	Confident	75.2	Confident	56 Å²	56	83.5 Å²	83.5	34%	0.344	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-41.7	179.1	-54.1	0	0	0	0	111.2	I331 F337 P338 S344 M345	I331-T341 HydrophobicContact CG2-CG2 4.27Å; F337-T341 HydrophobicContact CB-CG2 4.23Å; F337-T341 HydrophobicContact CD1-CG2 4.49Å; F337-T341 HydrophobicContact CG-CG2 4.45Å; P338-T341 PolarHBondContact O-N 3.41Å; T341-S344 PolarHBondContact O-N 2.92Å; T341-M345 PolarHBondContact O-N 3.13Å
342	R	78.5	Confident	75.6	Confident	78 Å²	78	86.3 Å²	86.3	29%	0.294	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-45.4	175.4	-67.1	-173.1	-86.1	162.5	-1.2	111.9	I331 M332 F337 P338 P339 M345 A346	I331-R342 WeakPolarHBondContact O-CG 3.09Å; M332-R342 WeakPolarHBondContact O-CD 3.41Å; F337-R342 HydrophobicContact CB-CG 4.27Å; F337-R342 PolarHBondContact O-NE 3.29Å; P338-R342 PolarHBondContact O-N 3.36Å; P339-R342 PolarHBondContact O-N 2.81Å; R342-M345 PolarHBondContact O-N 2.73Å; R342-A346 WeakPolarHBondContact O-CB 3.15Å; R342-A346 PolarHBondContact O-N 3.44Å
343	L	79	Confident	75.8	Confident	127 Å²	127	85.8 Å²	85.8	67%	0.665	45%	0.451	S	S	*	.	H	α-helix	trans	-65.7	-41.3	177.7	-173.8	68.3	0	0	0	112.3	P339 K340 A346 S347	P339-L343 WeakPolarHBondContact O-CB 3.22Å; P339-L343 PolarHBondContact O-N 2.74Å; K340-L343 PolarHBondContact O-N 3.36Å; L343-A346 PolarHBondContact O-N 3.45Å; L343-S347 PolarHBondContact O-N 2.92Å
344	S	81.1	Confident	76.1	Confident	57 Å²	57	87.9 Å²	87.9	40%	0.399	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.2	-175.2	0	0	0	0	112.1	K340 T341 S347 R348	K340-S344 WeakPolarHBondContact O-CB 3.44Å; K340-S344 PolarHBondContact O-N 3.24Å; T341-S344 PolarHBondContact O-N 2.92Å; S344-S347 PolarHBondContact O-N 3.18Å; S344-S347 PolarHBondContact O-OG 3.35Å; S344-R348 WeakPolarHBondContact O-CG 3.49Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 VanDerWaalsContact O-N 3.07Å
345	M	79.4	Confident	76.7	Confident	36 Å²	36	90.8 Å²	90.8	18%	0.177	46%	0.462	C	S	.	.	H	α-helix	trans	-70.2	-39.3	174.3	-74.2	-56.8	-107.2	0	0	112.4	I331 T341 R342 S347 R348 M349	I331-M345 HydrophobicContact CB-CG 4.32Å; I331-M345 HydrophobicContact CD1-CE 3.36Å; I331-M345 HydrophobicContact CD1-CG 4.27Å; I331-M345 HydrophobicContact CG2-CB 4.17Å; I331-M345 HydrophobicContact CG2-CG 3.77Å; T341-M345 PolarHBondContact O-N 3.13Å; R342-M345 PolarHBondContact O-N 2.73Å; M345-S347 VanDerWaalsContact C-N 3.33Å; M345-S347 PolarHBondContact O-N 3.14Å; M345-R348 PolarHBondContact O-N 3.19Å; M345-M349 WeakPolarHBondContact O-CB 3.21Å; M345-M349 PolarHBondContact O-N 3.45Å
346	A	78.4	Confident	76.8	Confident	22 Å²	22	93.1 Å²	93.1	18%	0.182	46%	0.455	C	S	.	.	H	α-helix	trans	-59.8	-42.1	173.5	0	0	0	0	0	112	M332 R342 L343 M349 L350	M332-A346 HydrophobicContact SD-CB 3.74Å; R342-A346 WeakPolarHBondContact O-CB 3.15Å; R342-A346 PolarHBondContact O-N 3.44Å; L343-A346 PolarHBondContact O-N 3.45Å; A346-M349 PolarHBondContact O-N 2.96Å; A346-L350 PolarHBondContact O-N 3.29Å
347	S	78.9	Confident	77.1	Confident	53 Å²	53	91.1 Å²	91.1	37%	0.371	45%	0.448	S	S	.	.	H	α-helix	trans	-66.5	-44.5	178.3	73.3	0	0	0	0	111.9	L343 S344 M345 M349 L350 I351	L343-S347 PolarHBondContact O-N 2.92Å; S344-S347 PolarHBondContact O-N 3.18Å; S344-S347 PolarHBondContact O-OG 3.35Å; M345-S347 VanDerWaalsContact C-N 3.33Å; M345-S347 PolarHBondContact O-N 3.14Å; S347-M349 VanDerWaalsContact C-N 3.35Å; S347-M349 PolarHBondContact O-N 2.87Å; S347-L350 PolarHBondContact O-N 3.09Å; S347-I351 WeakPolarHBondContact O-CD1 3.41Å; S347-I351 VanDerWaalsContact O-CG1 3.24Å; S347-I351 WeakPolarHBondContact O-CG1 3.42Å; S347-I351 PolarHBondContact O-N 2.92Å
348	R	79.1	Confident	77.1	Confident	146 Å²	146	93.3 Å²	93.3	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-63.2	-39.9	175.8	-70.2	179.1	170.9	-131.7	-1.2	112.3	F324 S344 M345 I351 N352	F324-R348 HydrophobicContact CE1-CB 3.96Å; F324-R348 HydrophobicContact CZ-CB 3.64Å; S344-R348 WeakPolarHBondContact O-CG 3.49Å; S344-R348 PolarHBondContact O-N 2.87Å; S344-R348 VanDerWaalsContact O-N 3.07Å; M345-R348 PolarHBondContact O-N 3.19Å; R348-I351 PolarHBondContact O-N 2.93Å; R348-N352 WeakPolarHBondContact O-CB 3.46Å; R348-N352 PolarHBondContact O-N 3.37Å
349	M	79.5	Confident	76.8	Confident	55 Å²	55	93.9 Å²	93.9	27%	0.271	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.1	-178.4	179.1	169.3	0	0	111.2	M345 A346 S347 I351 N352 E353	M345-M349 WeakPolarHBondContact O-CB 3.21Å; M345-M349 PolarHBondContact O-N 3.45Å; A346-M349 PolarHBondContact O-N 2.96Å; S347-M349 VanDerWaalsContact C-N 3.35Å; S347-M349 PolarHBondContact O-N 2.87Å; M349-I351 PolarHBondContact O-N 3.17Å; M349-N352 PolarHBondContact O-N 2.87Å; M349-E353 WeakPolarHBondContact O-CB 3.48Å; M349-E353 PolarHBondContact O-N 3.45Å
350	L	79	Confident	76.3	Confident	122 Å²	122	92.4 Å²	92.4	64%	0.639	45%	0.452	S	S	*	.	H	α-helix	trans	-61.2	-42.9	175.7	-92.9	164.9	0	0	0	112.7	A346 S347 R354	A346-L350 PolarHBondContact O-N 3.29Å; S347-L350 PolarHBondContact O-N 3.09Å; L350-R354 VanDerWaalsContact O-CB 3.31Å; L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 PolarHBondContact O-N 3.35Å
351	I	80.2	Confident	75.6	Confident	112 Å²	112	92.3 Å²	92.3	57%	0.574	45%	0.446	S	S	*	.	H	α-helix	trans	-62.6	-47	177.9	-69.1	163.5	0	0	0	110.3	S347 R348 M349 E353 R354 Q355	S347-I351 WeakPolarHBondContact O-CD1 3.41Å; S347-I351 VanDerWaalsContact O-CG1 3.24Å; S347-I351 WeakPolarHBondContact O-CG1 3.42Å; S347-I351 PolarHBondContact O-N 2.92Å; R348-I351 PolarHBondContact O-N 2.93Å; M349-I351 PolarHBondContact O-N 3.17Å; I351-E353 VanDerWaalsContact C-N 3.35Å; I351-E353 PolarHBondContact O-N 2.93Å; I351-R354 PolarHBondContact O-N 3.48Å; I351-Q355 WeakPolarHBondContact O-CB 3.47Å; I351-Q355 PolarHBondContact O-N 2.92Å
352	N	77.7	Confident	74.6	Confident	84 Å²	84	92.9 Å²	92.9	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-65.5	-40.6	-177.9	-147.5	-2.3	0	0	0	111.3	F324 R348 M349 Q355 R356	F324-N352 HydrophobicContact CD1-CB 4.33Å; F324-N352 VanDerWaalsContact CD1-ND2 3.29Å; F324-N352 WeakPolarHBondContact CD1-ND2 3.46Å; F324-N352 HydrophobicContact CE1-CB 4.38Å; R348-N352 WeakPolarHBondContact O-CB 3.46Å; R348-N352 PolarHBondContact O-N 3.37Å; M349-N352 PolarHBondContact O-N 2.87Å; N352-Q355 PolarHBondContact O-N 3.31Å; N352-R356 WeakPolarHBondContact O-CB 3.18Å; N352-R356 PolarHBondContact O-N 2.94Å
353	E	73.5	Confident	73.2	Confident	61 Å²	61	97.2 Å²	97.2	29%	0.285	47%	0.474	S	S	.	.	H	α-helix	trans	-67.7	-39.4	176.1	-167.3	57.3	-152.2	0	0	112.2	M349 I351 R356 L357	M349-E353 WeakPolarHBondContact O-CB 3.48Å; M349-E353 PolarHBondContact O-N 3.45Å; I351-E353 VanDerWaalsContact C-N 3.35Å; I351-E353 PolarHBondContact O-N 2.93Å; E353-R356 WeakPolarHBondContact O-CB 3.41Å; E353-R356 PolarHBondContact O-N 2.93Å; E353-R356 IonicContact OE1-CZ 3.13Å; E353-R356 IonicContact OE1-NE 3.05Å; E353-R356 PolarHBondContact OE1-NE 3.46Å; E353-R356 IonicContact OE1-NH2 2.63Å; E353-R356 PolarHBondContact OE1-NH2 3.46Å; E353-R356 IonicContact OE2-CZ 3.39Å; E353-R356 IonicContact OE2-NE 3.23Å; E353-R356 PolarHBondContact OE2-NE 3.01Å; E353-R356 IonicContact OE2-NH2 3.52Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.41Å
354	R	74.7	Confident	71.8	Confident	170 Å²	170	96.2 Å²	96.2	64%	0.642	47%	0.474	S	S	*	.	H	α-helix	trans	-60.4	-45.4	171.5	-93.1	-66.4	-157.3	-170.9	3.4	111.7	L350 I351 R356 L357 I358	L350-R354 VanDerWaalsContact O-CB 3.31Å; L350-R354 WeakPolarHBondContact O-CB 3.44Å; L350-R354 PolarHBondContact O-N 3.35Å; I351-R354 PolarHBondContact O-N 3.48Å; R354-R356 VanDerWaalsContact C-N 3.31Å; R354-R356 PolarHBondContact O-N 3.44Å; R354-L357 PolarHBondContact O-N 3Å; R354-I358 VanDerWaalsContact O-CG1 3.31Å; R354-I358 WeakPolarHBondContact O-CG1 3.17Å; R354-I358 PolarHBondContact O-N 3.21Å
355	Q	76.8	Confident	70	Confident	94 Å²	94	100.1 Å²	100.1	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-40.2	178.6	-165.7	64.4	28.1	0	0	111.2	I351 N352 L357 I358 N359	I351-Q355 WeakPolarHBondContact O-CB 3.47Å; I351-Q355 PolarHBondContact O-N 2.92Å; N352-Q355 PolarHBondContact O-N 3.31Å; Q355-L357 PolarHBondContact O-N 3.47Å; Q355-I358 PolarHBondContact O-N 3.1Å; Q355-N359 WeakPolarHBondContact O-CB 3.48Å; Q355-N359 VanDerWaalsContact O-CG 3.22Å; Q355-N359 PolarHBondContact O-N 3.18Å
356	R	74.1	Confident	68	Low	158 Å²	158	100.6 Å²	100.6	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-59.6	-44.2	173.8	-171	177	81.8	154.6	6.3	112.2	N352 E353 R354 N359 S360	N352-R356 WeakPolarHBondContact O-CB 3.18Å; N352-R356 PolarHBondContact O-N 2.94Å; E353-R356 WeakPolarHBondContact O-CB 3.41Å; E353-R356 PolarHBondContact O-N 2.93Å; E353-R356 IonicContact OE1-CZ 3.13Å; E353-R356 IonicContact OE1-NE 3.05Å; E353-R356 PolarHBondContact OE1-NE 3.46Å; E353-R356 IonicContact OE1-NH2 2.63Å; E353-R356 PolarHBondContact OE1-NH2 3.46Å; E353-R356 IonicContact OE2-CZ 3.39Å; E353-R356 IonicContact OE2-NE 3.23Å; E353-R356 PolarHBondContact OE2-NE 3.01Å; E353-R356 IonicContact OE2-NH2 3.52Å; R354-R356 VanDerWaalsContact C-N 3.31Å; R354-R356 PolarHBondContact O-N 3.44Å; R356-N359 PolarHBondContact O-N 3.18Å; R356-S360 WeakPolarHBondContact O-CB 3.29Å; R356-S360 PolarHBondContact O-N 2.96Å; R356-S360 PolarHBondContact O-OG 2.63Å; R356-S360 VanDerWaalsContact O-OG 3.05Å
357	L	71.4	Confident	65.7	Low	90 Å²	90	108.3 Å²	108.3	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-68.6	-36.6	178	-71.3	173.7	0	0	0	112.9	E353 R354 Q355 S360 R361	E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.41Å; R354-L357 PolarHBondContact O-N 3Å; Q355-L357 PolarHBondContact O-N 3.47Å; L357-S360 VanDerWaalsContact CA-OG 3.32Å; L357-S360 WeakPolarHBondContact CA-OG 3.38Å; L357-S360 PolarHBondContact O-OG 2.71Å; L357-R361 WeakPolarHBondContact O-CB 3.32Å; L357-R361 PolarHBondContact O-N 3.15Å
358	I	74	Confident	63.3	Low	93 Å²	93	110.9 Å²	110.9	48%	0.477	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-46.9	174.9	-68.9	164.4	0	0	0	110.2	R354 Q355 S360 R361 A362	R354-I358 VanDerWaalsContact O-CG1 3.31Å; R354-I358 WeakPolarHBondContact O-CG1 3.17Å; R354-I358 PolarHBondContact O-N 3.21Å; Q355-I358 PolarHBondContact O-N 3.1Å; I358-S360 PolarHBondContact O-N 3.16Å; I358-R361 PolarHBondContact O-N 3.12Å; I358-A362 PolarHBondContact O-N 2.95Å
359	N	68.3	Low	60.8	Low	84 Å²	84	113 Å²	113	45%	0.449	57%	0.571	S	S	.	*	H	α-helix	trans	-62.3	-44.3	178.3	-69.3	-8.4	0	0	0	111.1	Q355 R356 R361 A362 Y363	Q355-N359 WeakPolarHBondContact O-CB 3.48Å; Q355-N359 VanDerWaalsContact O-CG 3.22Å; Q355-N359 PolarHBondContact O-N 3.18Å; R356-N359 PolarHBondContact O-N 3.18Å; N359-R361 PolarHBondContact O-N 3.43Å; N359-A362 WeakPolarHBondContact O-CB 3.26Å; N359-A362 PolarHBondContact O-N 3.45Å; N359-Y363 WeakPolarHBondContact O-CD2 3.24Å; N359-Y363 PolarHBondContact O-N 3.33Å
360	S	64.7	Low	58.3	Low	60 Å²	60	116.4 Å²	116.4	42%	0.42	59%	0.594	S	S	.	*	H	α-helix	trans	-64.3	-37.3	176.2	57	0	0	0	0	113.1	R356 L357 I358 Y363 T364	R356-S360 WeakPolarHBondContact O-CB 3.29Å; R356-S360 PolarHBondContact O-N 2.96Å; R356-S360 PolarHBondContact O-OG 2.63Å; R356-S360 VanDerWaalsContact O-OG 3.05Å; L357-S360 VanDerWaalsContact CA-OG 3.32Å; L357-S360 WeakPolarHBondContact CA-OG 3.38Å; L357-S360 PolarHBondContact O-OG 2.71Å; I358-S360 PolarHBondContact O-N 3.16Å; S360-Y363 WeakPolarHBondContact O-CB 3.33Å; S360-Y363 PolarHBondContact O-N 2.9Å; S360-T364 PolarHBondContact O-N 3.42Å
361	R	58.3	Low	55.9	Low	180 Å²	180	115.4 Å²	115.4	68%	0.679	60%	0.604	S	S	*	*	H	α-helix	trans	-71	-31	175.5	-169.4	178.5	-78	-173.2	-6.2	112.9	L357 I358 N359 Y363 T364 N365	L357-R361 WeakPolarHBondContact O-CB 3.32Å; L357-R361 PolarHBondContact O-N 3.15Å; I358-R361 PolarHBondContact O-N 3.12Å; N359-R361 PolarHBondContact O-N 3.43Å; R361-Y363 PolarHBondContact O-N 3.44Å; R361-T364 PolarHBondContact O-N 2.93Å; R361-T364 PolarHBondContact O-OG1 3.25Å; R361-N365 PolarHBondContact O-N 2.85Å
362	A	59.9	Low	53.3	Low	68 Å²	68	115.6 Å²	115.6	56%	0.562	61%	0.605	S	S	*	*	H	α-helix	trans	-62.4	-34	171.7	0	0	0	0	0	111.4	I358 N359	I358-A362 PolarHBondContact O-N 2.95Å; N359-A362 WeakPolarHBondContact O-CB 3.26Å; N359-A362 PolarHBondContact O-N 3.45Å
363	Y	50	Low	50.7	Low	170 Å²	170	121 Å²	121	67%	0.667	62%	0.624	S	S	*	*	H	α-helix	trans	-72.9	-28.1	173.9	-87.8	-81.7	0	0	0	114	N359 S360 R361 I372	N359-Y363 WeakPolarHBondContact O-CD2 3.24Å; N359-Y363 PolarHBondContact O-N 3.33Å; S360-Y363 WeakPolarHBondContact O-CB 3.33Å; S360-Y363 PolarHBondContact O-N 2.9Å; R361-Y363 PolarHBondContact O-N 3.44Å; Y363-I372 HydrophobicContact CD1-CD1 4.2Å; Y363-I372 HydrophobicContact CE1-CD1 3.82Å
364	T	48.1	Very low	48.5	Very low	106 Å²	106	125.2 Å²	125.2	65%	0.65	65%	0.647	S	S	*	*	H	α-helix	trans	-80.8	-21.2	-179.2	59.6	0	0	0	0	114.1	S360 R361	S360-T364 PolarHBondContact O-N 3.42Å; R361-T364 PolarHBondContact O-N 2.93Å; R361-T364 PolarHBondContact O-OG1 3.25Å
365	N	45	Very low	46	Very low	138 Å²	138	122.5 Å²	122.5	74%	0.738	65%	0.652	S	S	*	*	S	Bend	trans	-97.4	-4.7	-178.2	-75.4	1.6	0	0	0	113.5	R361	R361-N365 PolarHBondContact O-N 2.85Å
366	G	36.3	Very low	43.5	Very low	47 Å²	47	124.8 Å²	124.8	49%	0.485	67%	0.666	S	S	.	*	S	Bend	trans	-110.8	98	178.2	0	0	0	0	0	111.3
367	E	29.3	Very low	41	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	68%	0.678	S	S	*	*			trans	62.7	116.7	159.1	-69.1	177.4	153.5	0	0	119.6
368	S	28.8	Very low	38.6	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	69%	0.692	S	S	*	*	S	Bend	trans	-7.6	123.2	138.6	37.4	0	0	0	0	117.3
369	E	27.5	Very low	36.1	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	70%	0.704	S	S	*	*			trans	64.9	62.5	141.5	-148.1	176.5	-147.3	0	0	118.1
370	V	27.3	Very low	33.9	Very low	125 Å²	125	133.8 Å²	133.8	76%	0.758	72%	0.721	S	S	*	*			trans	-145.5	119.9	145.1	-176.6	0	0	0	0	109.5	I372	V370-I372 PolarHBondContact O-N 3.37Å; V370-I372 VanDerWaalsContact O-N 3.1Å
371	A	27.5	Very low	31.9	Very low	101 Å²	101	138.3 Å²	138.3	84%	0.835	74%	0.736	S	S	*	*			trans	-59.8	109.5	170.2	0	0	0	0	0	110.2	K373	A371-K373 PolarHBondContact O-N 3.16Å
372	I	27.1	Very low	30.1	Very low	116 Å²	116	136.4 Å²	136.4	60%	0.595	74%	0.739	S	S	*	*			trans	-84.7	111.1	-179	-62.4	178.4	0	0	0	109.6	Y363 V370 I374	Y363-I372 HydrophobicContact CD1-CD1 4.2Å; Y363-I372 HydrophobicContact CE1-CD1 3.82Å; V370-I372 PolarHBondContact O-N 3.37Å; V370-I372 VanDerWaalsContact O-N 3.1Å; I372-I374 PolarHBondContact O-N 3.45Å
373	K	22.3	Very low	28.3	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	74%	0.744	S	S	*	*			trans	-53.7	121.3	158.4	-84.7	175.7	170.9	176.9	0	109.5	A371 P375	A371-K373 PolarHBondContact O-N 3.16Å; K373-P375 WeakPolarHBondContact O-CD 3.44Å
374	I	26.1	Very low	26.9	Very low	149 Å²	149	135.3 Å²	135.3	76%	0.764	76%	0.756	S	S	*	*			trans	-60.2	121.5	169.3	-62	167.1	0	0	0	107.9	I372 I376	I372-I374 PolarHBondContact O-N 3.45Å; I374-I376 PolarHBondContact O-N 2.53Å
375	P	23	Very low	25.6	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	76%	0.76	S	S	*	*			trans	-77.2	96.5	-179.3	29.5	-30.6	0	0	0	109.4	K373 K377	K373-P375 WeakPolarHBondContact O-CD 3.44Å; P375-K377 PolarHBondContact O-N 3.3Å; P375-K377 VanDerWaalsContact O-N 3.11Å
376	I	23.9	Very low	25.3	Very low	142 Å²	142	132.8 Å²	132.8	73%	0.728	76%	0.762	S	S	*	*			trans	-71.1	99.7	160.6	-59.4	172.4	0	0	0	106.1	I374 H378	I374-I376 PolarHBondContact O-N 2.53Å; I376-H378 PolarHBondContact O-N 2.71Å
377	K	21.6	Very low	24.5	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	78%	0.775	S	S	*	*			trans	-76.7	75.7	178	-151.8	179.5	-172.8	-176.9	0	109.4	P375	P375-K377 PolarHBondContact O-N 3.3Å; P375-K377 VanDerWaalsContact O-N 3.11Å
378	H	21.2	Very low	24.3	Very low	167 Å²	167	132.9 Å²	132.9	77%	0.773	78%	0.775	S	S	*	*			trans	-94	107.4	154.3	-95.1	-79.2	0	0	0	106.9	I376	I376-H378 PolarHBondContact O-N 2.71Å
379	T	21.1	Very low	24	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	78%	0.776	S	S	*	*			trans	-137.5	90.6	167.6	-33.1	0	0	0	0	108.3
380	V	23	Very low	24.1	Very low	132 Å²	132	128.3 Å²	128.3	80%	0.8	77%	0.768	S	S	*	*			trans	-83.1	107.3	152.9	173.2	0	0	0	0	105
381	E	22	Very low	23.8	Very low	155 Å²	155	128.4 Å²	128.4	72%	0.724	76%	0.764	S	S	*	*			trans	174.8	126.6	140.3	-103.5	-166.9	124.9	0	0	112.6
382	N	21.6	Very low	23.5	Very low	139 Å²	139	134.5 Å²	134.5	74%	0.743	77%	0.765	S	S	*	*			trans	43.6	109.3	133.3	-63.4	-24.2	0	0	0	120.3
383	G	20.8	Very low	23.3	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	77%	0.772	S	S	*	*				72.7	125	109.4	0	0	0	0	0	119
384	T	21.1	Very low	23.2	Very low	151 Å²	151	129.2 Å²	129.2	93%	0.926	77%	0.769	S	S	*	*			trans	75.5	116.3	154.6	52.8	0	0	0	0	120.1
385	G	21.4	Very low	23.1	Very low	72 Å²	72	130 Å²	130	74%	0.742	78%	0.775	S	S	*	*				107.1	157.3	127	0	0	0	0	0	117.7
386	P	37.4	Very low	23	Very low	118 Å²	118	127.6 Å²	127.6	77%	0.766	77%	0.77	S	S	*	*				-124.4	177.8	-123.4	41.2	-29.9	0	0	0	115.5
387	S	19.9	Very low	23	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	78%	0.777	S	S	*	*			trans	77.9	111.2	148.2	-56	0	0	0	0	118.8
388	S	24.8	Very low	22.9	Very low	123 Å²	123	129.9 Å²	129.9	86%	0.86	78%	0.781	S	S	*	*				178.2	112.9	119.8	30.5	0	0	0	0	111.6
389	A	24.3	Very low	22.9	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	79%	0.785	S	S	*	*			trans	-73.9	157.5	144.7	0	0	0	0	0	107.5
390	P	29	Very low	23.1	Very low	111 Å²	111	133.7 Å²	133.7	72%	0.721	79%	0.785	S	S	*	*				-152.4	170.8	69.6	38.4	-17.2	0	0	0	117.5
391	D	21	Very low	23	Very low	126 Å²	126	134.7 Å²	134.7	67%	0.674	79%	0.786	S	S	*	*			trans	90.1	109.9	136.6	-87.7	-19.6	0	0	0	123.5
392	R	20.2	Very low	23.2	Very low	229 Å²	229	135 Å²	135	86%	0.864	79%	0.791	S	S	*	*				72.1	126.8	120.4	-88.2	174.9	161.3	164.8	-3.9	122.1
393	G	24.5	Very low	23.1	Very low	71 Å²	71	134.2 Å²	134.2	73%	0.732	79%	0.791	S	S	*	*			trans	155.2	69	151.7	0	0	0	0	0	113.2
394	V	20.2	Very low	23.3	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	80%	0.795	S	S	*	*				22.6	107	107	-171.3	0	0	0	0	116.8
395	N	22.6	Very low	23.2	Very low	166 Å²	166	135.8 Å²	135.8	89%	0.888	79%	0.786	S	S	*	*			trans	158.1	128.5	143.1	-85.8	-16.2	0	0	0	107
396	G	21.8	Very low	23.2	Very low	63 Å²	63	137.9 Å²	137.9	65%	0.649	78%	0.784	S	S	*	*			cis	166.6	158.5	7.5	0	0	0	0	0	107.1
397	T	23.5	Very low	22.4	Very low	143 Å²	143	138.9 Å²	138.9	88%	0.877	78%	0.783	S	S	*	*			trans	73.7	84	161.7	48.8	0	0	0	0	121.1
398	R	18.6	Very low	22.5	Very low	243 Å²	243	141.3 Å²	141.3	92%	0.917	79%	0.787	S	S	*	*				17.6	121.4	113.3	-155.3	179.3	-161.6	175.7	4.7	118.4
399	R	23.2	Very low	22.5	Very low	229 Å²	229	143 Å²	143	86%	0.864	78%	0.782	S	S	*	*			trans	168.2	135.1	148.5	-94.9	179.8	-176.6	174.8	0	106.7
400	D	24.1	Very low	22.4	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	79%	0.786	S	S	*	*			cis	-149.6	145.6	-10.5	-85.8	-44.7	0	0	0	105.5
401	D	21.2	Very low	22.3	Very low	153 Å²	153	147 Å²	147	82%	0.818	79%	0.785	S	S	*	*			trans	-64.3	124.9	170.3	-62.9	-57.4	0	0	0	110.4
402	I	25.8	Very low	22.4	Very low	160 Å²	160	148.4 Å²	148.4	82%	0.821	79%	0.792	S	S	*	*			trans	-130.4	90.1	150.1	-59.5	-179.7	0	0	0	106.5
403	V	20.7	Very low	22.8	Very low	123 Å²	123	146 Å²	146	75%	0.745	79%	0.791	S	S	*	*			trans	-81.9	111.5	156.7	175.7	0	0	0	0	105.5	E405	V403-E405 HydrophobicContact CG1-CG 4.18Å
404	A	25	Very low	22.9	Very low	91 Å²	91	149.7 Å²	149.7	75%	0.752	79%	0.794	S	S	*	*			trans	-111.8	107	162.3	0	0	0	0	0	106.3
405	E	18.9	Very low	23.4	Very low	159 Å²	159	152.1 Å²	152.1	74%	0.743	80%	0.796	S	S	*	*			trans	-69.1	161	169.6	-68.3	177.6	138.6	0	0	111.1	V403	V403-E405 HydrophobicContact CG1-CG 4.18Å
406	T	19.9	Very low	23.7	Very low	116 Å²	116	152 Å²	152	71%	0.712	80%	0.796	S	S	*	*			trans	68.4	129.7	150.4	38.4	0	0	0	0	116.1
407	D	21.5	Very low	24.2	Very low	139 Å²	139	155.9 Å²	155.9	74%	0.743	80%	0.802	S	S	*	*			cis	-152.7	157.7	35	-86.9	-51.5	0	0	0	113.7	E409	D407-E409 PolarHBondContact O-N 2.95Å
408	N	21.8	Very low	24.7	Very low	159 Å²	159	157.6 Å²	157.6	85%	0.85	80%	0.8	S	S	*	*			trans	-62.1	111.7	158.8	-83.7	-31.7	0	0	0	109.8
409	E	25.2	Very low	25.4	Very low	160 Å²	160	153.2 Å²	153.2	75%	0.748	79%	0.794	S	S	*	*			trans	-115.4	92.3	158	-74.1	-177.4	170	0	0	108.1	D407 E411	D407-E409 PolarHBondContact O-N 2.95Å; E409-E411 VanDerWaalsContact C-N 3.31Å; E409-E411 PolarHBondContact O-N 2.92Å
410	T	22.3	Very low	25.9	Very low	138 Å²	138	147 Å²	147	85%	0.847	78%	0.778	S	S	*	*			trans	-70.9	91.1	155.3	37.6	0	0	0	0	107.4
411	E	26.7	Very low	26.4	Very low	150 Å²	150	146.8 Å²	146.8	70%	0.701	77%	0.773	S	S	*	*			trans	-95	111.7	162.8	-70.7	-163.2	148.8	0	0	108.9	E409 E413	E409-E411 VanDerWaalsContact C-N 3.31Å; E409-E411 PolarHBondContact O-N 2.92Å; E411-E413 PolarHBondContact O-N 2.86Å
412	N	23	Very low	27	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	77%	0.766	S	S	*	*			trans	-61.4	112.4	160.3	-85.5	-26.4	0	0	0	108.4
413	E	29.2	Very low	27.5	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	76%	0.757	S	S	*	*			trans	-119.7	74.8	154.3	-70.5	-172	166.8	0	0	107.4	E411	E411-E413 PolarHBondContact O-N 2.86Å
414	N	26.9	Very low	28.2	Very low	150 Å²	150	143.7 Å²	143.7	80%	0.802	75%	0.75	S	S	*	*			trans	-97.6	93.8	153.3	-89.7	-9.9	0	0	0	105.3
415	E	29.3	Very low	28.5	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	75%	0.747	S	S	*	*			trans	-175.8	97.9	162	-105.3	166.6	-137.2	0	0	105.9
416	D	28.9	Very low	29	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	75%	0.748	S	S	*	*			trans	161.5	69.1	154.5	-81.7	-14.7	0	0	0	109.4
417	N	32.8	Very low	29.6	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	74%	0.742	S	S	*	*			trans	-150.6	30.5	163.1	-135.3	27.6	0	0	0	114.2
418	E	33.8	Very low	30	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	74%	0.743	S	S	*	*			trans	-98.1	13.3	178.4	-76	-169.9	174.7	0	0	114.5
419	N	32.3	Very low	30.2	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	74%	0.742	S	S	*	*	S	Bend	trans	-105.8	12.5	177.3	-82.7	-15.1	0	0	0	115
420	N	34.5	Very low	30.5	Very low	98 Å²	98	148.2 Å²	148.2	52%	0.524	74%	0.743	S	S	.	*	S	Bend	trans	-114.1	-3.5	178.2	-113.1	44.4	0	0	0	114.9
421	E	35.6	Very low	31	Very low	135 Å²	135	144.1 Å²	144.1	63%	0.631	72%	0.716	S	S	*	*	S	Bend	trans	-83.9	-23.8	-179.4	-69.7	-175.9	170.7	0	0	113.3	D423 E424 E425	E421-D423 PolarHBondContact O-N 3.07Å; E421-E424 PolarHBondContact O-N 3.32Å; E421-E425 PolarHBondContact O-N 3.03Å
422	N	33.3	Very low	31.3	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	72%	0.724	S	S	*	*	H	α-helix	trans	-76.8	-20.5	178.3	-72.7	-16.8	0	0	0	113.9
423	D	35.1	Very low	31.8	Very low	117 Å²	117	143.9 Å²	143.9	63%	0.626	72%	0.719	S	S	*	*	H	α-helix	trans	-87.2	-16.4	175.7	-75.1	-16.1	0	0	0	111.8	E421	E421-D423 PolarHBondContact O-N 3.07Å
424	E	35.8	Very low	32.2	Very low	126 Å²	126	139.4 Å²	139.4	59%	0.589	70%	0.698	S	S	*	*	H	α-helix	trans	-88.9	-33	179.8	-70	-175.5	-170.1	0	0	112.4	E421 E427	E421-E424 PolarHBondContact O-N 3.32Å; E424-E427 PolarHBondContact O-N 3.3Å
425	E	30.8	Very low	32.7	Very low	149 Å²	149	134 Å²	134	70%	0.696	68%	0.678	S	S	*	*	H	α-helix	trans	-74.5	-26.3	176.9	-68.7	-167.1	176.2	0	0	113.5	E421 E427	E421-E425 PolarHBondContact O-N 3.03Å; E425-E427 VanDerWaalsContact C-N 3.29Å; E425-E427 PolarHBondContact O-N 3.36Å
426	E	30.7	Very low	33.4	Very low	163 Å²	163	127.2 Å²	127.2	76%	0.762	65%	0.65	S	S	*	*	H	α-helix	trans	-75.3	-13.8	174.8	-72.9	-167.2	179.4	0	0	113.3
427	E	32.3	Very low	34.5	Very low	127 Å²	127	122.8 Å²	122.8	59%	0.593	62%	0.621	S	S	*	*	H	α-helix	trans	-92.9	-20.6	177.8	-68.6	-155.2	163	0	0	114.2	E424 E425	E424-E427 PolarHBondContact O-N 3.3Å; E425-E427 VanDerWaalsContact C-N 3.29Å; E425-E427 PolarHBondContact O-N 3.36Å
428	E	28.6	Very low	35.4	Very low	163 Å²	163	117.5 Å²	117.5	76%	0.762	59%	0.594	S	S	*	*	H	α-helix	trans	-81.5	-27.9	-177.9	-69.9	-165.4	166.5	0	0	114.1
429	D	27.7	Very low	36.6	Very low	156 Å²	156	109.2 Å²	109.2	83%	0.834	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-6.2	-171	-82.6	-23.9	0	0	0	115.6
430	E	30.4	Very low	37.9	Very low	161 Å²	161	108 Å²	108	75%	0.752	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.8	-178.6	-73.6	-162.4	166.9	0	0	116
431	D	33.2	Very low	39.2	Very low	53 Å²	53	107.6 Å²	107.6	28%	0.283	54%	0.542	S	S	.	.	S	Bend	trans	-110.5	5.5	-162.9	-73.8	-31.2	0	0	0	116.9	C9 R13	C9-D431 PolarHBondContact SG-OD2 3.44Å; R13-D431 IonicContact CZ-OD1 3.96Å; R13-D431 IonicContact CZ-OD2 3.24Å; R13-D431 IonicContact NE-OD1 2.94Å; R13-D431 IonicContact NH2-OD1 3.65Å; R13-D431 PolarHBondContact NH2-OD1 2.93Å; R13-D431 VanDerWaalsContact NH2-OD1 3.08Å; R13-D431 IonicContact NH2-OD2 3.11Å; R13-D431 PolarHBondContact NH2-OD2 3.34Å
432	D	32.1	Very low	40.5	Very low	162 Å²	162	105.3 Å²	105.3	87%	0.866	54%	0.539	S	S	*	.	S	Bend	trans	-84.5	-11.6	179.1	-99.5	-17.4	0	0	0	115.6
433	D	34.3	Very low	42.2	Very low	138 Å²	138	100.5 Å²	100.5	74%	0.738	51%	0.514	S	S	*	.	S	Bend	trans	-101.9	0.4	-163.6	-109.9	-22.2	0	0	0	117.9
434	E	37.9	Very low	43.7	Very low	82 Å²	82	101.2 Å²	101.2	38%	0.383	53%	0.528	S	S	.	.			trans	-136.8	76.9	178.7	-75.1	-171.8	171	0	0	114.8	R16	R16-E434 VanDerWaalsContact CD-OE2 3.26Å; R16-E434 WeakPolarHBondContact CD-OE2 3.49Å; R16-E434 VanDerWaalsContact CZ-CD 3.46Å; R16-E434 IonicContact CZ-OE1 3.44Å; R16-E434 IonicContact CZ-OE2 2.79Å; R16-E434 IonicContact NE-OE1 2.81Å; R16-E434 IonicContact NE-OE2 3.91Å; R16-E434 PolarHBondContact NE-OE2 3.11Å; R16-E434 IonicContact NH1-OE2 2.65Å; R16-E434 IonicContact NH2-OE1 3.23Å; R16-E434 PolarHBondContact NH2-OE1 3.32Å; R16-E434 IonicContact NH2-OE2 3.43Å; R16-E434 PolarHBondContact NH2-OE2 3.34Å
435	G	38.3	Very low	45.7	Very low	37 Å²	37	96.3 Å²	96.3	38%	0.381	51%	0.512	S	S	.	.			trans	-70.9	169.5	158.8	0	0	0	0	0	112.8	Y437	G435-Y437 PolarHBondContact O-N 3.14Å; G435-Y437 VanDerWaalsContact O-N 3.15Å
436	P	43.4	Very low	48	Very low	40 Å²	40	98.3 Å²	98.3	26%	0.26	52%	0.518	S	S	.	.	S	Bend	trans	-60.2	121.7	178.7	17.1	-21	0	0	0	110.5	T438	P436-T438 PolarHBondContact O-N 3.42Å
437	Y	51.4	Low	50.2	Low	71 Å²	71	96 Å²	96	28%	0.278	51%	0.511	S	S	.	.			trans	-4.1	85.1	-176.3	-81.5	-70	0	0	0	115.2	R19 G435	R19-Y437 PolarHBondContact NH1-OH 3.38Å; R19-Y437 VanDerWaalsContact NH2-CZ 3.31Å; R19-Y437 PolarHBondContact NH2-OH 2.88Å; G435-Y437 PolarHBondContact O-N 3.14Å; G435-Y437 VanDerWaalsContact O-N 3.15Å
438	T	51.1	Low	52.2	Low	33 Å²	33	92.9 Å²	92.9	20%	0.202	50%	0.496	C	S	.	.			trans	-73.9	123.8	155.7	40.1	0	0	0	0	106.5	P436 F440 D441	P436-T438 PolarHBondContact O-N 3.42Å; T438-F440 PolarHBondContact O-N 2.96Å; T438-D441 WeakPolarHBondContact CB-OD2 3.27Å; T438-D441 PolarHBondContact O-N 3.42Å; T438-D441 PolarHBondContact OG1-OD2 3.3Å
439	P	58.8	Low	54.5	Low	5 Å²	5	87.9 Å²	87.9	3%	0.032	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	5.8	173.8	27.4	-33.8	0	0	0	112.6	W452 Y463	P439-W452 VanDerWaalsContact O-CZ2 3.31Å; P439-W452 WeakPolarHBondContact O-CZ2 3.21Å; P439-Y463 HydrophobicContact CG-CD2 4.36Å; P439-Y463 HydrophobicContact CG-CG 4.17Å
440	F	60.5	Low	57	Low	125 Å²	125	85.1 Å²	85.1	55%	0.548	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-16	-170.4	-56.5	-63.6	0	0	0	113.4	T438 P442 Y463	T438-F440 PolarHBondContact O-N 2.96Å; F440-P442 VanDerWaalsContact O-CD 3.29Å; F440-P442 WeakPolarHBondContact O-CD 3.24Å; F440-Y463 HydrophobicContact CE2-CE1 4.04Å
441	D	62.1	Low	59.1	Low	90 Å²	90	79.9 Å²	79.9	48%	0.481	44%	0.44	S	S	.	.			trans	-109	99.7	-178.7	-55.1	-41.8	0	0	0	109.1	T438	T438-D441 WeakPolarHBondContact CB-OD2 3.27Å; T438-D441 PolarHBondContact O-N 3.42Å; T438-D441 PolarHBondContact OG1-OD2 3.3Å
442	P	63.5	Low	61.4	Low	87 Å²	87	79.6 Å²	79.6	57%	0.565	44%	0.435	S	S	*	.			trans	-74.2	128.1	178	28.5	-32.1	0	0	0	110.3	F440	F440-P442 VanDerWaalsContact O-CD 3.29Å; F440-P442 WeakPolarHBondContact O-CD 3.24Å
443	P	69.1	Low	63.7	Low	26 Å²	26	74.5 Å²	74.5	17%	0.169	42%	0.415	C	S	.	.			trans	-70.5	152.5	179.2	28.8	-35.2	0	0	0	112.1	G445 E448 T449 W452	P443-G445 PolarHBondContact O-N 3.2Å; P443-E448 HydrophobicContact CB-CB 3.82Å; P443-E448 HydrophobicContact CG-CB 3.64Å; P443-T449 PolarHBondContact O-OG1 3.49Å; P443-W452 HydrophobicContact CG-CB 4.03Å; P443-W452 HydrophobicContact CG-CG 4.4Å
444	S	66.4	Low	66	Low	131 Å²	131	73.5 Å²	73.5	92%	0.916	40%	0.404	S	S	*	.	S	Bend	trans	-79.3	-5.6	-169.2	48.5	0	0	0	0	115.5
445	G	76.5	Confident	68.1	Low	23 Å²	23	69.7 Å²	69.7	24%	0.237	39%	0.387	C	S	.	.	S	Bend	trans	-95.6	137.2	176.3	0	0	0	0	0	114.9	P443 L447 E448 T449	P443-G445 PolarHBondContact O-N 3.2Å; G445-L447 VanDerWaalsContact C-N 3.31Å; G445-L447 PolarHBondContact O-N 3.43Å; G445-E448 PolarHBondContact N-OE2 3.16Å; G445-E448 CarbonylContact O-C 3.57Å; G445-E448 WeakPolarHBondContact O-CA 3.44Å; G445-E448 WeakPolarHBondContact O-CB 3.31Å; G445-E448 PolarHBondContact O-N 2.95Å; G445-T449 PolarHBondContact O-N 3.49Å; G445-T449 PolarHBondContact O-OG1 2.88Å
446	K	79.5	Confident	70.3	Confident	191 Å²	191	72.9 Å²	72.9	83%	0.83	39%	0.387	S	S	*	.	H	α-helix	trans	-52.9	-43.1	177.2	-69.3	-173.3	-179.7	179.4	0	113.8	E448 V450	K446-E448 VanDerWaalsContact C-N 3.33Å; K446-V450 WeakPolarHBondContact O-CG2 3.48Å; K446-V450 PolarHBondContact O-N 3.29Å
447	L	76.7	Confident	72.3	Confident	116 Å²	116	74.1 Å²	74.1	61%	0.607	40%	0.395	S	S	*	.	H	α-helix	trans	-69.2	-35.4	177.6	179	61.5	0	0	0	111.3	G445 V450 K451	G445-L447 VanDerWaalsContact C-N 3.31Å; G445-L447 PolarHBondContact O-N 3.43Å; L447-V450 PolarHBondContact O-N 3.02Å; L447-K451 WeakPolarHBondContact O-CG 3.4Å; L447-K451 PolarHBondContact O-N 2.96Å
448	E	74.6	Confident	73.9	Confident	61 Å²	61	71 Å²	71	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-71.6	-38.9	178.7	-59.9	175.4	164.1	0	0	110.9	R16 P443 G445 K446 V450 K451 W452	R16-E448 IonicContact NH2-OE1 3.96Å; R16-E448 PolarHBondContact NH2-OE1 3.01Å; R16-E448 IonicContact NH2-OE2 3.65Å; P443-E448 HydrophobicContact CB-CB 3.82Å; P443-E448 HydrophobicContact CG-CB 3.64Å; G445-E448 PolarHBondContact N-OE2 3.16Å; G445-E448 CarbonylContact O-C 3.57Å; G445-E448 WeakPolarHBondContact O-CA 3.44Å; G445-E448 WeakPolarHBondContact O-CB 3.31Å; G445-E448 PolarHBondContact O-N 2.95Å; K446-E448 VanDerWaalsContact C-N 3.33Å; E448-V450 VanDerWaalsContact C-N 3.32Å; E448-V450 PolarHBondContact O-N 2.76Å; E448-K451 PolarHBondContact O-N 3.33Å; E448-W452 WeakPolarHBondContact O-CB 3.22Å; E448-W452 PolarHBondContact O-N 3.12Å
449	T	77.4	Confident	75.4	Confident	58 Å²	58	70.1 Å²	70.1	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-40.6	172.4	-43.1	0	0	0	0	111.2	P443 G445 W452 A453	P443-T449 PolarHBondContact O-OG1 3.49Å; G445-T449 PolarHBondContact O-N 3.49Å; G445-T449 PolarHBondContact O-OG1 2.88Å; T449-W452 PolarHBondContact O-N 3.12Å; T449-A453 VanDerWaalsContact O-CB 3.31Å; T449-A453 WeakPolarHBondContact O-CB 3.4Å; T449-A453 PolarHBondContact O-N 2.99Å
450	V	78.9	Confident	76.5	Confident	98 Å²	98	73.9 Å²	73.9	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-67.2	-47.1	175.8	172.6	0	0	0	0	111.3	K446 L447 E448 W452 A453 F454	K446-V450 WeakPolarHBondContact O-CG2 3.48Å; K446-V450 PolarHBondContact O-N 3.29Å; L447-V450 PolarHBondContact O-N 3.02Å; E448-V450 VanDerWaalsContact C-N 3.32Å; E448-V450 PolarHBondContact O-N 2.76Å; V450-W452 VanDerWaalsContact C-N 3.29Å; V450-W452 PolarHBondContact O-N 3.42Å; V450-A453 PolarHBondContact O-N 2.76Å; V450-F454 PolarHBondContact O-N 3.37Å
451	K	76.2	Confident	77.7	Confident	50 Å²	50	70.6 Å²	70.6	22%	0.217	39%	0.385	C	S	.	.	H	α-helix	trans	-58.4	-43.8	174.7	-75.2	177.2	179.7	176.4	0	111	D20 L447 E448 F454 T455	D20-K451 IonicContact OD1-NZ 3.08Å; D20-K451 PolarHBondContact OD1-NZ 3.25Å; L447-K451 WeakPolarHBondContact O-CG 3.4Å; L447-K451 PolarHBondContact O-N 2.96Å; E448-K451 PolarHBondContact O-N 3.33Å; K451-F454 WeakPolarHBondContact O-CB 3.38Å; K451-F454 PolarHBondContact O-N 2.66Å; K451-T455 PolarHBondContact O-N 3.01Å; K451-T455 PolarHBondContact O-OG1 3.45Å
452	W	79.6	Confident	78.9	Confident	48 Å²	48	66.5 Å²	66.5	18%	0.182	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-48.4	177.6	176.5	92.5	0	0	0	111.2	P439 P443 E448 T449 V450 F454 T455 W456	P439-W452 VanDerWaalsContact O-CZ2 3.31Å; P439-W452 WeakPolarHBondContact O-CZ2 3.21Å; P443-W452 HydrophobicContact CG-CB 4.03Å; P443-W452 HydrophobicContact CG-CG 4.4Å; E448-W452 WeakPolarHBondContact O-CB 3.22Å; E448-W452 PolarHBondContact O-N 3.12Å; T449-W452 PolarHBondContact O-N 3.12Å; V450-W452 VanDerWaalsContact C-N 3.29Å; V450-W452 PolarHBondContact O-N 3.42Å; W452-F454 VanDerWaalsContact C-N 3.28Å; W452-F454 PolarHBondContact O-N 3.35Å; W452-T455 VanDerWaalsContact CA-OG1 3.3Å; W452-T455 WeakPolarHBondContact CA-OG1 3.39Å; W452-T455 CarbonylContact O-C 3.52Å; W452-T455 PolarHBondContact O-N 3.24Å; W452-T455 VanDerWaalsContact O-N 3.13Å; W452-T455 PolarHBondContact O-OG1 3.3Å; W452-W456 AromaticContact CH2-CD1 3.57Å; W452-W456 AromaticContact CH2-NE1 3.97Å; W452-W456 AromaticContact CZ2-CD1 3.56Å; W452-W456 WeakPolarHBondContact O-CA 3.47Å; W452-W456 WeakPolarHBondContact O-CB 3.23Å; W452-W456 PolarHBondContact O-N 3.11Å
453	A	81.4	Confident	79.7	Confident	55 Å²	55	67 Å²	67	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-38.3	177	0	0	0	0	0	112	T449 V450 W456	T449-A453 VanDerWaalsContact O-CB 3.31Å; T449-A453 WeakPolarHBondContact O-CB 3.4Å; T449-A453 PolarHBondContact O-N 2.99Å; V450-A453 PolarHBondContact O-N 2.76Å; A453-W456 WeakPolarHBondContact O-CB 3.24Å; A453-W456 PolarHBondContact O-N 3.5Å
454	F	82.4	Confident	80.3	Confident	116 Å²	116	72.3 Å²	72.3	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-67.1	-39.7	175.1	-174.4	-105.9	0	0	0	112.5	Y118 Y121 V450 K451 W452 W456	Y118-F454 HydrophobicContact CD2-CD1 4.29Å; Y118-F454 AromaticContact CD2-CE1 3.54Å; Y118-F454 HydrophobicContact CD2-CE1 3.54Å; Y118-F454 HydrophobicContact CD2-CE2 4.06Å; Y118-F454 AromaticContact CD2-CZ 3.43Å; Y118-F454 HydrophobicContact CD2-CZ 3.43Å; Y118-F454 VanDerWaalsContact CD2-CZ 3.43Å; Y118-F454 HydrophobicContact CE2-CD1 4.4Å; Y118-F454 HydrophobicContact CE2-CE1 4.09Å; Y118-F454 HydrophobicContact CE2-CZ 4.2Å; Y118-F454 HydrophobicContact CG-CZ 4.35Å; Y121-F454 HydrophobicContact CD1-CE1 4.3Å; V450-F454 PolarHBondContact O-N 3.37Å; K451-F454 WeakPolarHBondContact O-CB 3.38Å; K451-F454 PolarHBondContact O-N 2.66Å; W452-F454 VanDerWaalsContact C-N 3.28Å; W452-F454 PolarHBondContact O-N 3.35Å; F454-W456 VanDerWaalsContact C-N 3.32Å
455	T	82.3	Confident	81.2	Confident	3 Å²	3	69 Å²	69	2%	0.018	35%	0.349	C	S	.	.	H	α-helix	trans	-78.4	-12.9	174.9	47.9	0	0	0	0	114.4	Y121 I125 K451 W452 L458 S459	Y121-T455 HydrophobicContact CD1-CG2 4.39Å; Y121-T455 HydrophobicContact CE1-CG2 3.4Å; I125-T455 HydrophobicContact CD1-CG2 3.88Å; K451-T455 PolarHBondContact O-N 3.01Å; K451-T455 PolarHBondContact O-OG1 3.45Å; W452-T455 VanDerWaalsContact CA-OG1 3.3Å; W452-T455 WeakPolarHBondContact CA-OG1 3.39Å; W452-T455 CarbonylContact O-C 3.52Å; W452-T455 PolarHBondContact O-N 3.24Å; W452-T455 VanDerWaalsContact O-N 3.13Å; W452-T455 PolarHBondContact O-OG1 3.3Å; T455-L458 WeakPolarHBondContact O-CB 3.26Å; T455-L458 PolarHBondContact O-N 3.32Å; T455-L458 VanDerWaalsContact O-N 3.14Å; T455-S459 WeakPolarHBondContact O-CB 3.22Å; T455-S459 PolarHBondContact O-N 3.4Å
456	W	84.2	Confident	81.7	Confident	104 Å²	104	68.1 Å²	68.1	39%	0.394	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-46.5	-168	-174.6	91.2	0	0	0	113.4	W452 A453 F454 L458 S459 F460	W452-W456 AromaticContact CH2-CD1 3.57Å; W452-W456 AromaticContact CH2-NE1 3.97Å; W452-W456 AromaticContact CZ2-CD1 3.56Å; W452-W456 WeakPolarHBondContact O-CA 3.47Å; W452-W456 WeakPolarHBondContact O-CB 3.23Å; W452-W456 PolarHBondContact O-N 3.11Å; A453-W456 WeakPolarHBondContact O-CB 3.24Å; A453-W456 PolarHBondContact O-N 3.5Å; F454-W456 VanDerWaalsContact C-N 3.32Å; W456-L458 VanDerWaalsContact C-N 3.31Å; W456-L458 PolarHBondContact O-N 3.4Å; W456-S459 PolarHBondContact O-N 2.8Å; W456-F460 HydrophobicContact CH2-CD2 4.21Å; W456-F460 HydrophobicContact CH2-CG 4.44Å; W456-F460 HydrophobicContact CZ2-CD2 4.14Å; W456-F460 WeakPolarHBondContact O-CB 3.24Å; W456-F460 PolarHBondContact O-N 3.22Å
457	P	85.9	Confident	81.9	Confident	65 Å²	65	60.2 Å²	60.2	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-40.7	178.2	-21.7	33.7	0	0	0	112.5	V461	P457-V461 VanDerWaalsContact O-CG2 3.3Å; P457-V461 WeakPolarHBondContact O-CG2 3.4Å; P457-V461 PolarHBondContact O-N 2.94Å; P457-V461 VanDerWaalsContact O-N 3.09Å
458	L	85.7	Confident	82	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-50	176.4	177.3	68.6	0	0	0	111.3	Y118 A122 I125 T455 W456 F460 V461 L462 F492	Y118-L458 WeakPolarHBondContact OH-CB 3.39Å; A122-L458 HydrophobicContact CB-CD1 3.88Å; A122-L458 HydrophobicContact CB-CD2 3.61Å; A122-L458 HydrophobicContact CB-CG 4.39Å; I125-L458 HydrophobicContact CB-CD2 4.42Å; I125-L458 HydrophobicContact CD1-CD2 3.81Å; T455-L458 WeakPolarHBondContact O-CB 3.26Å; T455-L458 PolarHBondContact O-N 3.32Å; T455-L458 VanDerWaalsContact O-N 3.14Å; W456-L458 VanDerWaalsContact C-N 3.31Å; W456-L458 PolarHBondContact O-N 3.4Å; L458-F460 VanDerWaalsContact C-N 3.3Å; L458-F460 PolarHBondContact O-N 2.75Å; L458-V461 PolarHBondContact O-N 2.83Å; L458-L462 HydrophobicContact CD1-CD1 3.8Å; L458-L462 HydrophobicContact CD1-CG 4.06Å; L458-L462 HydrophobicContact CD2-CD1 4.41Å; L458-L462 HydrophobicContact CG-CD1 3.8Å; L458-L462 HydrophobicContact CG-CG 4.34Å; L458-L462 WeakPolarHBondContact O-CB 3.14Å; L458-L462 WeakPolarHBondContact O-CG 3.06Å; L458-L462 PolarHBondContact O-N 3.22Å; L458-F492 HydrophobicContact CD1-CE1 4.02Å; L458-F492 HydrophobicContact CD1-CE2 3.69Å; L458-F492 HydrophobicContact CD1-CZ 3.24Å
459	S	80.6	Confident	82.3	Confident	13 Å²	13	53 Å²	53	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-42.6	179.3	175.1	0	0	0	0	111.2	T455 W456 L462 Y463	T455-S459 WeakPolarHBondContact O-CB 3.22Å; T455-S459 PolarHBondContact O-N 3.4Å; W456-S459 PolarHBondContact O-N 2.8Å; S459-L462 PolarHBondContact O-N 2.9Å; S459-Y463 WeakPolarHBondContact O-CB 3.44Å; S459-Y463 PolarHBondContact O-N 3.23Å
460	F	83.5	Confident	82	Confident	84 Å²	84	53 Å²	53	37%	0.368	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-49.2	175.5	-175.3	-92.7	0	0	0	111.9	W456 L458 Y463 F464	W456-F460 HydrophobicContact CH2-CD2 4.21Å; W456-F460 HydrophobicContact CH2-CG 4.44Å; W456-F460 HydrophobicContact CZ2-CD2 4.14Å; W456-F460 WeakPolarHBondContact O-CB 3.24Å; W456-F460 PolarHBondContact O-N 3.22Å; L458-F460 VanDerWaalsContact C-N 3.3Å; L458-F460 PolarHBondContact O-N 2.75Å; F460-Y463 PolarHBondContact O-N 3.16Å; F460-F464 HydrophobicContact CD1-CD2 4.31Å; F460-F464 HydrophobicContact CD2-CD2 4.43Å; F460-F464 HydrophobicContact CD2-CE2 4.06Å; F460-F464 HydrophobicContact CE1-CD2 4.01Å; F460-F464 HydrophobicContact CE1-CE2 4.04Å; F460-F464 HydrophobicContact CE2-CD2 4.16Å; F460-F464 AromaticContact CE2-CE2 3.5Å; F460-F464 HydrophobicContact CE2-CE2 3.5Å; F460-F464 VanDerWaalsContact CE2-CE2 3.5Å; F460-F464 HydrophobicContact CE2-CZ 4.5Å; F460-F464 AromaticContact CZ-CD2 3.93Å; F460-F464 HydrophobicContact CZ-CD2 3.93Å; F460-F464 AromaticContact CZ-CE2 3.47Å; F460-F464 HydrophobicContact CZ-CE2 3.47Å; F460-F464 VanDerWaalsContact CZ-CE2 3.47Å; F460-F464 HydrophobicContact CZ-CZ 4.44Å; F460-F464 WeakPolarHBondContact O-CD2 3.33Å; F460-F464 PolarHBondContact O-N 2.7Å
461	V	86.1	Confident	81.7	Confident	57 Å²	57	51.6 Å²	51.6	35%	0.345	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-45.9	178.9	170.5	0	0	0	0	111.4	P457 L458 F464 T465 W488	P457-V461 VanDerWaalsContact O-CG2 3.3Å; P457-V461 WeakPolarHBondContact O-CG2 3.4Å; P457-V461 PolarHBondContact O-N 2.94Å; P457-V461 VanDerWaalsContact O-N 3.09Å; L458-V461 PolarHBondContact O-N 2.83Å; V461-F464 PolarHBondContact O-N 3.06Å; V461-T465 WeakPolarHBondContact O-CB 3.29Å; V461-T465 VanDerWaalsContact O-CG2 3.3Å; V461-T465 WeakPolarHBondContact O-CG2 3.3Å; V461-T465 PolarHBondContact O-N 3.38Å; V461-T465 VanDerWaalsContact O-N 3.16Å; V461-T465 PolarHBondContact O-OG1 3.45Å; V461-W488 HydrophobicContact CG1-CH2 3.25Å; V461-W488 HydrophobicContact CG1-CZ2 3.32Å; V461-W488 HydrophobicContact CG1-CZ3 4.16Å
462	L	85.4	Confident	81.5	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-35.7	179.9	-68.1	177.9	0	0	0	112.3	V126 F130 L458 S459 F464 T465 V466 W488 F492	V126-L462 HydrophobicContact CG2-CD1 3.72Å; V126-L462 HydrophobicContact CG2-CD2 4.05Å; F130-L462 HydrophobicContact CE2-CB 4.19Å; F130-L462 HydrophobicContact CE2-CD1 3.95Å; F130-L462 HydrophobicContact CZ-CB 4.15Å; L458-L462 HydrophobicContact CD1-CD1 3.8Å; L458-L462 HydrophobicContact CD1-CG 4.06Å; L458-L462 HydrophobicContact CD2-CD1 4.41Å; L458-L462 HydrophobicContact CG-CD1 3.8Å; L458-L462 HydrophobicContact CG-CG 4.34Å; L458-L462 WeakPolarHBondContact O-CB 3.14Å; L458-L462 WeakPolarHBondContact O-CG 3.06Å; L458-L462 PolarHBondContact O-N 3.22Å; S459-L462 PolarHBondContact O-N 2.9Å; L462-F464 VanDerWaalsContact C-N 3.3Å; L462-F464 PolarHBondContact O-N 3.47Å; L462-T465 PolarHBondContact O-N 3.49Å; L462-V466 HydrophobicContact CD2-CG2 3.9Å; L462-V466 PolarHBondContact O-N 2.88Å; L462-W488 HydrophobicContact CD2-CB 4.4Å; L462-W488 HydrophobicContact CD2-CD2 4.01Å; L462-W488 HydrophobicContact CD2-CG 3.85Å; L462-F492 HydrophobicContact CD2-CE2 4.33Å
463	Y	80.6	Confident	81.3	Confident	98 Å²	98	60.2 Å²	60.2	38%	0.384	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-39.8	177.2	-178.7	-94.1	0	0	0	112.3	P439 F440 S459 F460	P439-Y463 HydrophobicContact CG-CD2 4.36Å; P439-Y463 HydrophobicContact CG-CG 4.17Å; F440-Y463 HydrophobicContact CE2-CE1 4.04Å; S459-Y463 WeakPolarHBondContact O-CB 3.44Å; S459-Y463 PolarHBondContact O-N 3.23Å; F460-Y463 PolarHBondContact O-N 3.16Å
464	F	82.6	Confident	81.1	Confident	137 Å²	137	62.9 Å²	62.9	60%	0.601	31%	0.306	S	S	*	.	H	α-helix	trans	-81.6	-25.2	178.4	-82.2	-73.9	0	0	0	114	F460 V461 L462	F460-F464 HydrophobicContact CD1-CD2 4.31Å; F460-F464 HydrophobicContact CD2-CD2 4.43Å; F460-F464 HydrophobicContact CD2-CE2 4.06Å; F460-F464 HydrophobicContact CE1-CD2 4.01Å; F460-F464 HydrophobicContact CE1-CE2 4.04Å; F460-F464 HydrophobicContact CE2-CD2 4.16Å; F460-F464 AromaticContact CE2-CE2 3.5Å; F460-F464 HydrophobicContact CE2-CE2 3.5Å; F460-F464 VanDerWaalsContact CE2-CE2 3.5Å; F460-F464 HydrophobicContact CE2-CZ 4.5Å; F460-F464 AromaticContact CZ-CD2 3.93Å; F460-F464 HydrophobicContact CZ-CD2 3.93Å; F460-F464 AromaticContact CZ-CE2 3.47Å; F460-F464 HydrophobicContact CZ-CE2 3.47Å; F460-F464 VanDerWaalsContact CZ-CE2 3.47Å; F460-F464 HydrophobicContact CZ-CZ 4.44Å; F460-F464 WeakPolarHBondContact O-CD2 3.33Å; F460-F464 PolarHBondContact O-N 2.7Å; V461-F464 PolarHBondContact O-N 3.06Å; L462-F464 VanDerWaalsContact C-N 3.3Å; L462-F464 PolarHBondContact O-N 3.47Å
465	T	85.2	Confident	80.7	Confident	62 Å²	62	60.3 Å²	60.3	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-106.1	-25.8	-169.4	57.6	0	0	0	0	114.5	V461 L462 S484 W488	V461-T465 WeakPolarHBondContact O-CB 3.29Å; V461-T465 VanDerWaalsContact O-CG2 3.3Å; V461-T465 WeakPolarHBondContact O-CG2 3.3Å; V461-T465 PolarHBondContact O-N 3.38Å; V461-T465 VanDerWaalsContact O-N 3.16Å; V461-T465 PolarHBondContact O-OG1 3.45Å; L462-T465 PolarHBondContact O-N 3.49Å; T465-S484 PolarHBondContact O-OG 3.43Å; T465-W488 HydrophobicContact CG2-CZ2 4.07Å; T465-W488 PolarHBondContact OG1-NE1 2.84Å
466	V	87	Confident	80.7	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.03	33%	0.331	C	S	.	.	S	Bend	trans	-114.1	110.1	-177.7	-169.5	0	0	0	0	109.6	F130 L462 N468 T481 W488	F130-V466 HydrophobicContact CB-CG1 4.13Å; F130-V466 HydrophobicContact CD1-CB 3.94Å; F130-V466 HydrophobicContact CD1-CG1 3.39Å; F130-V466 HydrophobicContact CE1-CB 3.99Å; F130-V466 HydrophobicContact CE1-CG1 3.94Å; F130-V466 HydrophobicContact CG-CG1 3.9Å; L462-V466 HydrophobicContact CD2-CG2 3.9Å; L462-V466 PolarHBondContact O-N 2.88Å; V466-N468 PolarHBondContact O-N 3.17Å; V466-T481 HydrophobicContact CG1-CG2 4.06Å; V466-W488 VanDerWaalsContact CG2-CD1 3.46Å
467	P	84	Confident	80.9	Confident	24 Å²	24	70.1 Å²	70.1	16%	0.156	34%	0.337	C	S	.	.			trans	-62.7	130.8	171.3	26.7	-31.6	0	0	0	108.5	C469 W474 V480 T481	P467-C469 PolarHBondContact O-N 3.42Å; P467-W474 HydrophobicContact CB-CD2 4.28Å; P467-W474 HydrophobicContact CB-CE3 3.74Å; P467-W474 HydrophobicContact CB-CZ3 4.14Å; P467-V480 HydrophobicContact CG-CB 4.34Å; P467-V480 HydrophobicContact CG-CG1 3.92Å; P467-T481 WeakPolarHBondContact O-CB 3.28Å; P467-T481 WeakPolarHBondContact O-CG2 3.48Å; P467-T481 PolarHBondContact O-OG1 2.81Å
468	N	78.8	Confident	81	Confident	19 Å²	19	68.2 Å²	68.2	10%	0.102	32%	0.322	C	S	.	.			trans	-91.8	107.6	-176.8	-170.6	-25.3	0	0	0	110.8	F130 V466 N470 K471 W474	F130-N468 HydrophobicContact CE1-CB 4.17Å; V466-N468 PolarHBondContact O-N 3.17Å; N468-N470 PolarHBondContact O-N 2.91Å; N468-N470 VanDerWaalsContact OD1-CB 3.26Å; N468-N470 WeakPolarHBondContact OD1-CB 3.3Å; N468-N470 PolarHBondContact OD1-N 3.41Å; N468-K471 PolarHBondContact O-N 3.16Å; N468-K471 VanDerWaalsContact O-N 3.14Å; N468-W474 VanDerWaalsContact O-CB 3.27Å; N468-W474 WeakPolarHBondContact O-CB 3.36Å
469	C	80.2	Confident	81.3	Confident	7 Å²	7	72.2 Å²	72.2	5%	0.047	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13	179.6	61.4	0	0	0	0	115	P467 K471 F478 T481	P467-C469 PolarHBondContact O-N 3.42Å; C469-K471 VanDerWaalsContact C-N 3.28Å; C469-F478 HydrophobicContact CB-CB 4.13Å; C469-T481 HydrophobicContact CB-CG2 4.34Å
470	N	71.3	Confident	81.8	Confident	59 Å²	59	74.8 Å²	74.8	32%	0.316	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22	173.6	-67.8	-13.3	0	0	0	112.2	R15 P133 N468	R15-N470 PolarHBondContact NH1-ND2 3.05Å; R15-N470 VanDerWaalsContact NH1-ND2 3.14Å; P133-N470 WeakPolarHBondContact CB-OD1 3.49Å; N468-N470 PolarHBondContact O-N 2.91Å; N468-N470 VanDerWaalsContact OD1-CB 3.26Å; N468-N470 WeakPolarHBondContact OD1-CB 3.3Å; N468-N470 PolarHBondContact OD1-N 3.41Å
471	K	72.6	Confident	82.2	Confident	67 Å²	67	70.8 Å²	70.8	29%	0.291	34%	0.339	S	S	.	.	S	Bend	trans	-77.7	134.2	175.8	-68	-167.9	177.8	-172.7	0	109.3	N468 C469 H473 W474 E475	N468-K471 PolarHBondContact O-N 3.16Å; N468-K471 VanDerWaalsContact O-N 3.14Å; C469-K471 VanDerWaalsContact C-N 3.28Å; K471-H473 PolarHBondContact O-N 3.5Å; K471-H473 VanDerWaalsContact O-N 3.09Å; K471-W474 PolarHBondContact O-N 2.8Å; K471-E475 PolarHBondContact O-N 3.38Å
472	P	71.4	Confident	82.6	Confident	108 Å²	108	69.3 Å²	69.3	70%	0.701	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-57.1	-32.5	-178.1	19.6	-31.4	0	0	0	112.9	W474	P472-W474 VanDerWaalsContact C-N 3.27Å; P472-W474 PolarHBondContact O-N 3.49Å
473	H	75.5	Confident	83	Confident	171 Å²	171	71.9 Å²	71.9	79%	0.792	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-64.7	-26.5	176.1	-63.2	94.8	0	0	0	114.1	K471	K471-H473 PolarHBondContact O-N 3.5Å; K471-H473 VanDerWaalsContact O-N 3.09Å
474	W	77.5	Confident	83.5	Confident	111 Å²	111	68.2 Å²	68.2	42%	0.42	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-114.6	4.7	-172.5	-67	98.3	0	0	0	113.4	P467 N468 K471 P472 K476 W477	P467-W474 HydrophobicContact CB-CD2 4.28Å; P467-W474 HydrophobicContact CB-CE3 3.74Å; P467-W474 HydrophobicContact CB-CZ3 4.14Å; N468-W474 VanDerWaalsContact O-CB 3.27Å; N468-W474 WeakPolarHBondContact O-CB 3.36Å; K471-W474 PolarHBondContact O-N 2.8Å; P472-W474 VanDerWaalsContact C-N 3.27Å; P472-W474 PolarHBondContact O-N 3.49Å; W474-K476 PolarHBondContact O-N 2.86Å; W474-K476 VanDerWaalsContact O-N 3.11Å; W474-W477 HydrophobicContact CE3-CB 4.35Å; W474-W477 HydrophobicContact CE3-CD2 4.33Å; W474-W477 HydrophobicContact CE3-CG 4.08Å; W474-W477 HydrophobicContact CZ3-CD2 4.28Å; W474-W477 HydrophobicContact CZ3-CG 4.5Å; W474-W477 PolarHBondContact O-N 2.76Å
475	E	75.4	Confident	84.1	Confident	63 Å²	63	61.7 Å²	61.7	29%	0.294	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-54.3	-35.8	-176.9	-166	-157.9	150.3	0	0	113.1	K137 R141 K471 W477	K137-E475 HydrophobicContact CD-CG 4.37Å; K137-E475 WeakPolarHBondContact CE-OE1 3.16Å; K137-E475 IonicContact NZ-OE1 2.8Å; K137-E475 PolarHBondContact NZ-OE1 2.77Å; R141-E475 IonicContact CZ-OE1 2.98Å; R141-E475 IonicContact NE-OE1 2.75Å; R141-E475 IonicContact NH2-OE1 3.22Å; R141-E475 PolarHBondContact NH2-OE1 2.76Å; R141-E475 IonicContact NH2-OE2 2.7Å; K471-E475 PolarHBondContact O-N 3.38Å; E475-W477 PolarHBondContact O-N 2.89Å
476	K	82.2	Confident	84.5	Confident	175 Å²	175	59.8 Å²	59.8	76%	0.761	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18.7	179.7	-64.5	-179.2	-176.9	175	0	113.5	W474 F478	W474-K476 PolarHBondContact O-N 2.86Å; W474-K476 VanDerWaalsContact O-N 3.11Å; K476-F478 VanDerWaalsContact C-N 3.29Å; K476-F478 PolarHBondContact O-N 2.74Å
477	W	87.1	Confident	84.8	Confident	138 Å²	138	65.4 Å²	65.4	52%	0.523	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-93.8	22.7	-175.9	-69.2	67.6	0	0	0	112.5	W474 E475 M479 V480 T481	W474-W477 HydrophobicContact CE3-CB 4.35Å; W474-W477 HydrophobicContact CE3-CD2 4.33Å; W474-W477 HydrophobicContact CE3-CG 4.08Å; W474-W477 HydrophobicContact CZ3-CD2 4.28Å; W474-W477 HydrophobicContact CZ3-CG 4.5Å; W474-W477 PolarHBondContact O-N 2.76Å; E475-W477 PolarHBondContact O-N 2.89Å; W477-M479 VanDerWaalsContact C-N 3.33Å; W477-M479 PolarHBondContact O-N 2.76Å; W477-V480 HydrophobicContact CE3-CB 4.17Å; W477-V480 HydrophobicContact CE3-CG1 4.3Å; W477-V480 HydrophobicContact CE3-CG2 3.87Å; W477-V480 HydrophobicContact CZ3-CG2 4.44Å; W477-V480 PolarHBondContact O-N 2.76Å; W477-T481 PolarHBondContact O-N 3.17Å; W477-T481 PolarHBondContact O-OG1 2.85Å
478	F	88.5	Confident	85.2	Confident	25 Å²	25	66.9 Å²	66.9	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-39.1	-177.6	70	-89.4	0	0	0	113.5	K137 I138 R141 C469 K476 V480 T481 F482	K137-F478 HydrophobicContact CB-CB 3.96Å; K137-F478 HydrophobicContact CB-CG 4.29Å; K137-F478 HydrophobicContact CG-CB 3.9Å; K137-F478 HydrophobicContact CG-CD1 4.34Å; K137-F478 HydrophobicContact CG-CG 4.06Å; I138-F478 HydrophobicContact CB-CE2 4.42Å; I138-F478 HydrophobicContact CG1-CD2 3.56Å; I138-F478 HydrophobicContact CG1-CE2 3.68Å; R141-F478 HydrophobicContact CB-CE1 4.31Å; R141-F478 HydrophobicContact CB-CZ 3.96Å; R141-F478 HydrophobicContact CG-CE1 3.98Å; R141-F478 HydrophobicContact CG-CZ 4.12Å; C469-F478 HydrophobicContact CB-CB 4.13Å; K476-F478 VanDerWaalsContact C-N 3.29Å; K476-F478 PolarHBondContact O-N 2.74Å; F478-V480 VanDerWaalsContact C-N 3.33Å; F478-V480 PolarHBondContact O-N 2.91Å; F478-T481 WeakPolarHBondContact O-CB 3.41Å; F478-T481 PolarHBondContact O-N 2.73Å; F478-F482 WeakPolarHBondContact O-CB 3.36Å; F478-F482 PolarHBondContact O-N 3.14Å
479	M	91.4	Very high	86	Confident	90 Å²	90	66 Å²	66	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-35.4	176.7	-68	-63.1	-75.9	0	0	112.6	I138 W477 F482 A483	I138-M479 HydrophobicContact CD1-SD 4.04Å; I138-M479 HydrophobicContact CG1-SD 3.9Å; W477-M479 VanDerWaalsContact C-N 3.33Å; W477-M479 PolarHBondContact O-N 2.76Å; M479-F482 PolarHBondContact O-N 3.23Å; M479-A483 WeakPolarHBondContact O-CB 3.23Å; M479-A483 PolarHBondContact O-N 3.39Å
480	V	92.1	Very high	86.6	Confident	68 Å²	68	66.6 Å²	66.6	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-71.8	-37	176.1	-179.1	0	0	0	0	110.2	P467 W477 F478 F482 A483 S484	P467-V480 HydrophobicContact CG-CB 4.34Å; P467-V480 HydrophobicContact CG-CG1 3.92Å; W477-V480 HydrophobicContact CE3-CB 4.17Å; W477-V480 HydrophobicContact CE3-CG1 4.3Å; W477-V480 HydrophobicContact CE3-CG2 3.87Å; W477-V480 HydrophobicContact CZ3-CG2 4.44Å; W477-V480 PolarHBondContact O-N 2.76Å; F478-V480 VanDerWaalsContact C-N 3.33Å; F478-V480 PolarHBondContact O-N 2.91Å; V480-F482 VanDerWaalsContact C-N 3.35Å; V480-A483 PolarHBondContact O-N 3.36Å; V480-S484 WeakPolarHBondContact O-CB 3.5Å; V480-S484 PolarHBondContact O-N 2.7Å
481	T	91.9	Very high	87.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-46.7	172.9	-48.6	0	0	0	0	110.6	F130 V466 P467 C469 W477 F478 S484 S485	F130-T481 HydrophobicContact CB-CG2 4.45Å; V466-T481 HydrophobicContact CG1-CG2 4.06Å; P467-T481 WeakPolarHBondContact O-CB 3.28Å; P467-T481 WeakPolarHBondContact O-CG2 3.48Å; P467-T481 PolarHBondContact O-OG1 2.81Å; C469-T481 HydrophobicContact CB-CG2 4.34Å; W477-T481 PolarHBondContact O-N 3.17Å; W477-T481 PolarHBondContact O-OG1 2.85Å; F478-T481 WeakPolarHBondContact O-CB 3.41Å; F478-T481 PolarHBondContact O-N 2.73Å; T481-S484 PolarHBondContact O-N 3.15Å; T481-S485 VanDerWaalsContact O-CB 3.26Å; T481-S485 WeakPolarHBondContact O-CB 3.25Å; T481-S485 PolarHBondContact O-N 2.81Å; T481-S485 PolarHBondContact O-OG 2.93Å
482	F	93.5	Very high	88.5	Confident	25 Å²	25	63.5 Å²	63.5	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-48.6	176.9	177.8	-97.2	0	0	0	112	F131 S134 L135 I138 F153 F478 M479 V480 S485 T486	F131-F482 HydrophobicContact CD2-CD2 4.12Å; F131-F482 AromaticContact CD2-CE2 3.98Å; F131-F482 HydrophobicContact CD2-CE2 3.98Å; F131-F482 AromaticContact CE2-CD2 3.92Å; F131-F482 HydrophobicContact CE2-CD2 3.92Å; F131-F482 AromaticContact CE2-CE2 3.31Å; F131-F482 HydrophobicContact CE2-CE2 3.31Å; F131-F482 HydrophobicContact CE2-CZ 4.01Å; F131-F482 AromaticContact CZ-CE2 3.95Å; F131-F482 HydrophobicContact CZ-CE2 3.95Å; S134-F482 WeakPolarHBondContact OG-CA 3.42Å; S134-F482 WeakPolarHBondContact OG-CB 3.47Å; L135-F482 HydrophobicContact CD1-CE2 4.4Å; L135-F482 HydrophobicContact CD2-CD2 3.97Å; L135-F482 HydrophobicContact CD2-CE2 3.52Å; L135-F482 HydrophobicContact CD2-CZ 4.42Å; L135-F482 HydrophobicContact CG-CD2 3.98Å; L135-F482 HydrophobicContact CG-CE2 3.82Å; I138-F482 HydrophobicContact CD1-CB 3.91Å; I138-F482 HydrophobicContact CD1-CD1 4.24Å; I138-F482 HydrophobicContact CD1-CD2 3.75Å; I138-F482 HydrophobicContact CD1-CE2 4.39Å; I138-F482 HydrophobicContact CD1-CG 3.67Å; F153-F482 HydrophobicContact CB-CZ 4.34Å; F153-F482 VanDerWaalsContact O-CZ 3.23Å; F153-F482 WeakPolarHBondContact O-CZ 3.46Å; F478-F482 WeakPolarHBondContact O-CB 3.36Å; F478-F482 PolarHBondContact O-N 3.14Å; M479-F482 PolarHBondContact O-N 3.23Å; V480-F482 VanDerWaalsContact C-N 3.35Å; F482-S485 WeakPolarHBondContact CA-OG 3.42Å; F482-S485 PolarHBondContact O-OG 3.31Å; F482-T486 VanDerWaalsContact O-CB 3.31Å; F482-T486 WeakPolarHBondContact O-CB 2.96Å; F482-T486 PolarHBondContact O-N 3.32Å; F482-T486 PolarHBondContact O-OG1 2.97Å
483	A	93.4	Very high	89.5	Confident	57 Å²	57	58.4 Å²	58.4	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-43.2	178.9	0	0	0	0	0	112.7	M479 V480 T486 L487	M479-A483 WeakPolarHBondContact O-CB 3.23Å; M479-A483 PolarHBondContact O-N 3.39Å; V480-A483 PolarHBondContact O-N 3.36Å; A483-T486 PolarHBondContact O-N 2.95Å; A483-L487 PolarHBondContact O-N 2.92Å
484	S	92.6	Very high	90.2	Very high	22 Å²	22	53 Å²	53	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-42.1	179	-172.5	0	0	0	0	111.8	T465 V480 T481 L487 W488	T465-S484 PolarHBondContact O-OG 3.43Å; V480-S484 WeakPolarHBondContact O-CB 3.5Å; V480-S484 PolarHBondContact O-N 2.7Å; T481-S484 PolarHBondContact O-N 3.15Å; S484-L487 PolarHBondContact O-N 3.18Å; S484-W488 VanDerWaalsContact O-CD1 3.31Å; S484-W488 PolarHBondContact O-N 2.88Å
485	S	93.9	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-40.4	175	56.7	0	0	0	0	112.3	T481 F482 L487 W488 I489	T481-S485 VanDerWaalsContact O-CB 3.26Å; T481-S485 WeakPolarHBondContact O-CB 3.25Å; T481-S485 PolarHBondContact O-N 2.81Å; T481-S485 PolarHBondContact O-OG 2.93Å; F482-S485 WeakPolarHBondContact CA-OG 3.42Å; F482-S485 PolarHBondContact O-OG 3.31Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.14Å; S485-W488 PolarHBondContact O-N 3.15Å; S485-I489 WeakPolarHBondContact O-CG1 3.33Å; S485-I489 PolarHBondContact O-N 3.45Å
486	T	94.3	Very high	91.7	Very high	22 Å²	22	47.7 Å²	47.7	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-43.6	172.9	-60.5	0	0	0	0	111.6	G157 A160 F482 A483 W488 I489 A490	G157-T486 WeakPolarHBondContact O-CG2 3.47Å; A160-T486 HydrophobicContact CB-CG2 3.75Å; F482-T486 VanDerWaalsContact O-CB 3.31Å; F482-T486 WeakPolarHBondContact O-CB 2.96Å; F482-T486 PolarHBondContact O-N 3.32Å; F482-T486 PolarHBondContact O-OG1 2.97Å; A483-T486 PolarHBondContact O-N 2.95Å; T486-W488 VanDerWaalsContact C-N 3.35Å; T486-W488 PolarHBondContact O-N 3.23Å; T486-I489 WeakPolarHBondContact O-CB 3.18Å; T486-I489 PolarHBondContact O-N 2.93Å; T486-A490 PolarHBondContact O-N 2.78Å
487	L	93.2	Very high	92.1	Very high	122 Å²	122	39.5 Å²	39.5	64%	0.639	21%	0.208	S	C	*	.	H	α-helix	trans	-62.3	-41.8	176.4	-174.3	72	0	0	0	111.9	A483 S484 S485 A490 A491	A483-L487 PolarHBondContact O-N 2.92Å; S484-L487 PolarHBondContact O-N 3.18Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.14Å; L487-A490 PolarHBondContact O-N 2.91Å; L487-A491 WeakPolarHBondContact O-CB 3.3Å; L487-A491 PolarHBondContact O-N 3.31Å
488	W	93.3	Very high	92.2	Very high	55 Å²	55	34.9 Å²	34.9	21%	0.208	19%	0.19	C	C	.	.	H	α-helix	trans	-68	-37.1	175.7	-84.1	112.5	0	0	0	113.1	V126 V461 L462 T465 V466 S484 S485 T486 A490 A491 F492	V126-W488 HydrophobicContact CG1-CB 4.33Å; V461-W488 HydrophobicContact CG1-CH2 3.25Å; V461-W488 HydrophobicContact CG1-CZ2 3.32Å; V461-W488 HydrophobicContact CG1-CZ3 4.16Å; L462-W488 HydrophobicContact CD2-CB 4.4Å; L462-W488 HydrophobicContact CD2-CD2 4.01Å; L462-W488 HydrophobicContact CD2-CG 3.85Å; T465-W488 HydrophobicContact CG2-CZ2 4.07Å; T465-W488 PolarHBondContact OG1-NE1 2.84Å; V466-W488 VanDerWaalsContact CG2-CD1 3.46Å; S484-W488 VanDerWaalsContact O-CD1 3.31Å; S484-W488 PolarHBondContact O-N 2.88Å; S485-W488 PolarHBondContact O-N 3.15Å; T486-W488 VanDerWaalsContact C-N 3.35Å; T486-W488 PolarHBondContact O-N 3.23Å; W488-A490 VanDerWaalsContact C-N 3.32Å; W488-A490 PolarHBondContact O-N 3.09Å; W488-A491 HydrophobicContact CE3-CB 4.29Å; W488-A491 PolarHBondContact O-N 3.14Å; W488-F492 HydrophobicContact CB-CD2 4.37Å; W488-F492 HydrophobicContact CB-CE2 4.13Å; W488-F492 HydrophobicContact CD2-CE2 4.17Å; W488-F492 HydrophobicContact CD2-CZ 4.16Å; W488-F492 HydrophobicContact CE3-CD1 4.4Å; W488-F492 HydrophobicContact CE3-CD2 4.23Å; W488-F492 AromaticContact CE3-CE1 3.75Å; W488-F492 HydrophobicContact CE3-CE1 3.75Å; W488-F492 AromaticContact CE3-CE2 3.56Å; W488-F492 HydrophobicContact CE3-CE2 3.56Å; W488-F492 AromaticContact CE3-CZ 3.26Å; W488-F492 HydrophobicContact CE3-CZ 3.26Å; W488-F492 HydrophobicContact CG-CE2 4.44Å; W488-F492 AromaticContact CZ3-CE1 3.76Å; W488-F492 HydrophobicContact CZ3-CE1 3.76Å; W488-F492 HydrophobicContact CZ3-CE2 4.33Å; W488-F492 AromaticContact CZ3-CZ 3.58Å; W488-F492 HydrophobicContact CZ3-CZ 3.58Å; W488-F492 WeakPolarHBondContact O-CB 2.96Å; W488-F492 WeakPolarHBondContact O-CD2 3.37Å; W488-F492 WeakPolarHBondContact O-CG 3.15Å; W488-F492 PolarHBondContact O-N 3.37Å
489	I	94.2	Very high	92.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-48.4	171.1	-73.6	167.9	0	0	0	109.7	L123 V126 F131 P161 S485 T486 A491 S493 P526	L123-I489 HydrophobicContact CD2-CB 4.39Å; L123-I489 HydrophobicContact CD2-CG1 4.48Å; L123-I489 HydrophobicContact CD2-CG2 4.24Å; L123-I489 WeakPolarHBondContact CD2-O 3.32Å; V126-I489 HydrophobicContact CB-CG1 4.47Å; V126-I489 HydrophobicContact CG1-CD1 4.35Å; V126-I489 HydrophobicContact CG1-CG1 3.82Å; F131-I489 HydrophobicContact CB-CD1 4Å; F131-I489 HydrophobicContact CD1-CD1 4.22Å; F131-I489 HydrophobicContact CD2-CD1 3.78Å; F131-I489 HydrophobicContact CE2-CD1 4.26Å; F131-I489 HydrophobicContact CG-CD1 3.75Å; P161-I489 HydrophobicContact CG-CG2 4.02Å; S485-I489 WeakPolarHBondContact O-CG1 3.33Å; S485-I489 PolarHBondContact O-N 3.45Å; T486-I489 WeakPolarHBondContact O-CB 3.18Å; T486-I489 PolarHBondContact O-N 2.93Å; I489-A491 PolarHBondContact O-N 3.38Å; I489-S493 WeakPolarHBondContact O-CB 3.38Å; I489-S493 PolarHBondContact O-N 3.04Å; I489-P526 HydrophobicContact CG2-CB 3.48Å; I489-P526 VanDerWaalsContact CG2-CB 3.48Å; I489-P526 HydrophobicContact CG2-CG 3.56Å
490	A	92.9	Very high	92.3	Very high	21 Å²	21	31.3 Å²	31.3	17%	0.174	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-45.1	176.4	0	0	0	0	0	112.4	A160 T486 L487 W488 S493 Y494	A160-A490 HydrophobicContact CB-CB 4.46Å; T486-A490 PolarHBondContact O-N 2.78Å; L487-A490 PolarHBondContact O-N 2.91Å; W488-A490 VanDerWaalsContact C-N 3.32Å; W488-A490 PolarHBondContact O-N 3.09Å; A490-S493 PolarHBondContact O-N 2.89Å; A490-Y494 WeakPolarHBondContact O-CB 3.24Å; A490-Y494 PolarHBondContact O-N 3.16Å
491	A	92.6	Very high	92.1	Very high	41 Å²	41	28.1 Å²	28.1	34%	0.339	16%	0.155	S	C	.	.	H	α-helix	trans	-64.8	-47	-179.9	0	0	0	0	0	112.8	L487 W488 I489 Y494 M495	L487-A491 WeakPolarHBondContact O-CB 3.3Å; L487-A491 PolarHBondContact O-N 3.31Å; W488-A491 HydrophobicContact CE3-CB 4.29Å; W488-A491 PolarHBondContact O-N 3.14Å; I489-A491 PolarHBondContact O-N 3.38Å; A491-Y494 PolarHBondContact O-N 3.49Å; A491-M495 WeakPolarHBondContact O-CG 3.48Å; A491-M495 PolarHBondContact O-N 2.83Å; A491-M495 VanDerWaalsContact O-N 3.08Å
492	F	92.7	Very high	92	Very high	19 Å²	19	28.1 Å²	28.1	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-36.8	177.4	-67.6	-42.7	0	0	0	111.9	M119 A122 L123 V126 L458 L462 W488 M495 M496	M119-F492 HydrophobicContact SD-CD1 3.95Å; A122-F492 HydrophobicContact CB-CD1 4.41Å; A122-F492 HydrophobicContact CB-CD2 4.16Å; A122-F492 HydrophobicContact CB-CE2 4.29Å; A122-F492 HydrophobicContact CB-CG 4.25Å; A122-F492 HydrophobicContact CB-CZ 4.49Å; L123-F492 HydrophobicContact CD2-CB 3.65Å; L123-F492 HydrophobicContact CG-CB 3.91Å; V126-F492 HydrophobicContact CG2-CD2 3.97Å; V126-F492 HydrophobicContact CG2-CE2 3.68Å; L458-F492 HydrophobicContact CD1-CE1 4.02Å; L458-F492 HydrophobicContact CD1-CE2 3.69Å; L458-F492 HydrophobicContact CD1-CZ 3.24Å; L462-F492 HydrophobicContact CD2-CE2 4.33Å; W488-F492 HydrophobicContact CB-CD2 4.37Å; W488-F492 HydrophobicContact CB-CE2 4.13Å; W488-F492 HydrophobicContact CD2-CE2 4.17Å; W488-F492 HydrophobicContact CD2-CZ 4.16Å; W488-F492 HydrophobicContact CE3-CD1 4.4Å; W488-F492 HydrophobicContact CE3-CD2 4.23Å; W488-F492 AromaticContact CE3-CE1 3.75Å; W488-F492 HydrophobicContact CE3-CE1 3.75Å; W488-F492 AromaticContact CE3-CE2 3.56Å; W488-F492 HydrophobicContact CE3-CE2 3.56Å; W488-F492 AromaticContact CE3-CZ 3.26Å; W488-F492 HydrophobicContact CE3-CZ 3.26Å; W488-F492 HydrophobicContact CG-CE2 4.44Å; W488-F492 AromaticContact CZ3-CE1 3.76Å; W488-F492 HydrophobicContact CZ3-CE1 3.76Å; W488-F492 HydrophobicContact CZ3-CE2 4.33Å; W488-F492 AromaticContact CZ3-CZ 3.58Å; W488-F492 HydrophobicContact CZ3-CZ 3.58Å; W488-F492 WeakPolarHBondContact O-CB 2.96Å; W488-F492 WeakPolarHBondContact O-CD2 3.37Å; W488-F492 WeakPolarHBondContact O-CG 3.15Å; W488-F492 PolarHBondContact O-N 3.37Å; F492-M495 PolarHBondContact O-N 2.98Å; F492-M496 WeakPolarHBondContact O-CB 3.09Å; F492-M496 PolarHBondContact O-N 3.46Å
493	S	91.8	Very high	91.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-39.3	174.3	-172.2	0	0	0	0	111.8	P161 I489 A490 M496 V497	P161-S493 WeakPolarHBondContact CB-OG 3.4Å; I489-S493 WeakPolarHBondContact O-CB 3.38Å; I489-S493 PolarHBondContact O-N 3.04Å; A490-S493 PolarHBondContact O-N 2.89Å; S493-M496 PolarHBondContact O-N 3.25Å; S493-V497 VanDerWaalsContact O-CB 3.28Å; S493-V497 WeakPolarHBondContact O-CB 3.5Å; S493-V497 VanDerWaalsContact O-CG2 3.26Å; S493-V497 WeakPolarHBondContact O-CG2 3.4Å; S493-V497 PolarHBondContact O-N 3.36Å
494	Y	90.7	Very high	91.5	Very high	57 Å²	57	25.7 Å²	25.7	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-48.5	173.6	172.2	-97.7	0	0	0	111.6	F94 P95 F164 I168 A490 A491 M496 V497 W498	F94-Y494 AromaticContact CD1-CE2 3.76Å; F94-Y494 HydrophobicContact CD1-CE2 3.76Å; F94-Y494 AromaticContact CD1-CZ 3.84Å; F94-Y494 HydrophobicContact CE1-CD2 4.06Å; F94-Y494 AromaticContact CE1-CE2 3.58Å; F94-Y494 HydrophobicContact CE1-CE2 3.58Å; P95-Y494 VanDerWaalsContact CD-OH 3.31Å; P95-Y494 WeakPolarHBondContact CD-OH 3.38Å; F164-Y494 HydrophobicContact CD1-CD2 4.26Å; F164-Y494 AromaticContact CE1-CD2 3.72Å; F164-Y494 HydrophobicContact CE1-CD2 3.72Å; F164-Y494 HydrophobicContact CE1-CE2 4.19Å; F164-Y494 HydrophobicContact CE1-CG 4.38Å; I168-Y494 HydrophobicContact CD1-CE2 4.41Å; A490-Y494 WeakPolarHBondContact O-CB 3.24Å; A490-Y494 PolarHBondContact O-N 3.16Å; A491-Y494 PolarHBondContact O-N 3.49Å; Y494-M496 VanDerWaalsContact C-N 3.33Å; Y494-M496 PolarHBondContact O-N 3.18Å; Y494-V497 PolarHBondContact O-N 3.08Å; Y494-W498 WeakPolarHBondContact O-CB 3.47Å; Y494-W498 PolarHBondContact O-N 3.21Å
495	M	91.4	Very high	91.2	Very high	58 Å²	58	26.4 Å²	26.4	29%	0.286	14%	0.135	S	C	.	.	H	α-helix	trans	-61.6	-42.1	177.3	-71.1	-60.7	-58.8	0	0	111.9	M119 A491 F492 W498 M499	M119-M495 HydrophobicContact CE-CB 4.31Å; M119-M495 HydrophobicContact CG-CB 4.08Å; M119-M495 HydrophobicContact SD-CB 4.05Å; A491-M495 WeakPolarHBondContact O-CG 3.48Å; A491-M495 PolarHBondContact O-N 2.83Å; A491-M495 VanDerWaalsContact O-N 3.08Å; F492-M495 PolarHBondContact O-N 2.98Å; M495-W498 HydrophobicContact CE-CE3 3.85Å; M495-W498 HydrophobicContact CE-CZ3 3.87Å; M495-W498 PolarHBondContact O-N 3.17Å; M495-W498 HydrophobicContact SD-CE3 3.84Å; M495-W498 HydrophobicContact SD-CZ3 4.05Å; M495-M499 VanDerWaalsContact O-CG 3.32Å; M495-M499 WeakPolarHBondContact O-CG 3.23Å; M495-M499 PolarHBondContact O-N 3.21Å; M495-M499 VanDerWaalsContact O-N 3.12Å
496	M	92.4	Very high	90.9	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-49.4	176.8	-176.6	-178.9	62.7	0	0	111.6	M119 F120 L123 F492 S493 Y494 W498 M499 V500 G522 V525	M119-M496 HydrophobicContact CB-CB 3.81Å; M119-M496 HydrophobicContact CB-CG 4.39Å; F120-M496 HydrophobicContact CB-SD 4.24Å; F120-M496 HydrophobicContact CD2-SD 4.3Å; L123-M496 HydrophobicContact CD1-CE 3.76Å; L123-M496 HydrophobicContact CD1-SD 3.94Å; F492-M496 WeakPolarHBondContact O-CB 3.09Å; F492-M496 PolarHBondContact O-N 3.46Å; S493-M496 PolarHBondContact O-N 3.25Å; Y494-M496 VanDerWaalsContact C-N 3.33Å; Y494-M496 PolarHBondContact O-N 3.18Å; M496-W498 VanDerWaalsContact C-N 3.31Å; M496-W498 PolarHBondContact O-N 3.02Å; M496-M499 PolarHBondContact O-N 3.44Å; M496-V500 HydrophobicContact CG-CG2 4.48Å; M496-V500 VanDerWaalsContact O-CG2 3.31Å; M496-V500 WeakPolarHBondContact O-CG2 3.15Å; M496-V500 PolarHBondContact O-N 2.84Å; M496-G522 WeakPolarHBondContact CE-O 3.43Å; M496-V525 HydrophobicContact CE-CB 3.99Å; M496-V525 HydrophobicContact CE-CG2 3.82Å; M496-V525 HydrophobicContact SD-CG2 4.2Å
497	V	90.2	Very high	90.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-44.6	177.9	159.1	0	0	0	0	110.7	F94 S493 Y494 M499 V500 T501 L519 T523	F94-V497 HydrophobicContact CE1-CG1 4.16Å; F94-V497 HydrophobicContact CZ-CG1 3.67Å; S493-V497 VanDerWaalsContact O-CB 3.28Å; S493-V497 WeakPolarHBondContact O-CB 3.5Å; S493-V497 VanDerWaalsContact O-CG2 3.26Å; S493-V497 WeakPolarHBondContact O-CG2 3.4Å; S493-V497 PolarHBondContact O-N 3.36Å; Y494-V497 PolarHBondContact O-N 3.08Å; V497-M499 PolarHBondContact O-N 2.85Å; V497-V500 PolarHBondContact O-N 2.97Å; V497-T501 PolarHBondContact O-N 3.11Å; V497-T501 PolarHBondContact O-OG1 2.85Å; V497-L519 HydrophobicContact CG1-CD2 4.14Å; V497-T523 HydrophobicContact CG2-CG2 3.75Å
498	W	89.4	Confident	90	Very high	40 Å²	40	26.6 Å²	26.6	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-48.3	175.4	-179.8	18.7	0	0	0	112.4	F94 P95 Y494 M495 M496 V500 T501 I502	F94-W498 HydrophobicContact CB-CD2 4.27Å; F94-W498 HydrophobicContact CB-CG 3.8Å; F94-W498 VanDerWaalsContact CB-NE1 3.3Å; F94-W498 HydrophobicContact CD1-CB 3.5Å; F94-W498 AromaticContact CD1-CD1 3.76Å; F94-W498 HydrophobicContact CD1-CD2 4.46Å; F94-W498 AromaticContact CD1-CG 3.63Å; F94-W498 HydrophobicContact CD1-CG 3.63Å; F94-W498 HydrophobicContact CE1-CB 3.86Å; F94-W498 HydrophobicContact CE1-CG 4.46Å; F94-W498 HydrophobicContact CG-CB 4.07Å; F94-W498 AromaticContact CG-CD1 3.42Å; F94-W498 VanDerWaalsContact CG-CD1 3.42Å; F94-W498 AromaticContact CG-CG 3.81Å; F94-W498 HydrophobicContact CG-CG 3.81Å; P95-W498 HydrophobicContact CB-CH2 3.87Å; P95-W498 HydrophobicContact CB-CZ2 3.79Å; P95-W498 HydrophobicContact CG-CH2 4.18Å; P95-W498 HydrophobicContact CG-CZ2 4.27Å; P95-W498 HydrophobicContact CG-CZ3 4.5Å; P95-W498 WeakPolarHBondContact O-CZ2 3.24Å; P95-W498 PolarHBondContact O-NE1 3.13Å; Y494-W498 WeakPolarHBondContact O-CB 3.47Å; Y494-W498 PolarHBondContact O-N 3.21Å; M495-W498 HydrophobicContact CE-CE3 3.85Å; M495-W498 HydrophobicContact CE-CZ3 3.87Å; M495-W498 PolarHBondContact O-N 3.17Å; M495-W498 HydrophobicContact SD-CE3 3.84Å; M495-W498 HydrophobicContact SD-CZ3 4.05Å; M496-W498 VanDerWaalsContact C-N 3.31Å; M496-W498 PolarHBondContact O-N 3.02Å; W498-V500 VanDerWaalsContact C-N 3.32Å; W498-V500 PolarHBondContact O-N 3.49Å; W498-T501 PolarHBondContact O-N 3.33Å; W498-I502 HydrophobicContact CG-CD1 4.42Å; W498-I502 WeakPolarHBondContact O-CG1 3.45Å; W498-I502 PolarHBondContact O-N 3.02Å
499	M	91.2	Very high	89.6	Confident	11 Å²	11	25.4 Å²	25.4	5%	0.054	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.8	-63.4	-59	101.6	0	0	111.8	H112 C115 A116 M495 M496 V497 I502 I503	H112-M499 HydrophobicContact CB-SD 4.39Å; H112-M499 PolarHBondContact ND1-SD 2.74Å; H112-M499 VanDerWaalsContact ND1-SD 3.4Å; C115-M499 HydrophobicContact CB-CG 3.92Å; C115-M499 HydrophobicContact CB-SD 3.93Å; A116-M499 HydrophobicContact CB-CB 4.01Å; M495-M499 VanDerWaalsContact O-CG 3.32Å; M495-M499 WeakPolarHBondContact O-CG 3.23Å; M495-M499 PolarHBondContact O-N 3.21Å; M495-M499 VanDerWaalsContact O-N 3.12Å; M496-M499 PolarHBondContact O-N 3.44Å; V497-M499 PolarHBondContact O-N 2.85Å; M499-I502 HydrophobicContact CE-CD1 3.71Å; M499-I502 PolarHBondContact O-N 2.98Å; M499-I502 HydrophobicContact SD-CD1 4.39Å; M499-I503 WeakPolarHBondContact O-CD1 3.12Å; M499-I503 VanDerWaalsContact O-CG1 3.24Å; M499-I503 WeakPolarHBondContact O-CG1 3.18Å; M499-I503 PolarHBondContact O-N 2.59Å
500	V	90.5	Very high	89	Confident	29 Å²	29	27 Å²	27	18%	0.176	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.6	171.6	0	0	0	0	111.2	M496 V497 W498 I502 I503 G504 M514 F518 L519	M496-V500 HydrophobicContact CG-CG2 4.48Å; M496-V500 VanDerWaalsContact O-CG2 3.31Å; M496-V500 WeakPolarHBondContact O-CG2 3.15Å; M496-V500 PolarHBondContact O-N 2.84Å; V497-V500 PolarHBondContact O-N 2.97Å; W498-V500 VanDerWaalsContact C-N 3.32Å; W498-V500 PolarHBondContact O-N 3.49Å; V500-I502 VanDerWaalsContact C-N 3.34Å; V500-I502 PolarHBondContact O-N 2.93Å; V500-I503 PolarHBondContact O-N 3.03Å; V500-G504 PolarHBondContact O-N 3.09Å; V500-M514 HydrophobicContact CG1-SD 4.06Å; V500-F518 HydrophobicContact CG1-CB 3.82Å; V500-L519 HydrophobicContact CG1-CD2 4.12Å
501	T	87.8	Confident	88.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-42.5	175	-52.9	0	0	0	0	111.6	A90 L91 F94 V497 W498 I503 G504 Y505 L519	A90-T501 HydrophobicContact CB-CG2 4.23Å; L91-T501 HydrophobicContact CB-CG2 4.48Å; F94-T501 HydrophobicContact CD2-CG2 4.22Å; F94-T501 HydrophobicContact CE2-CG2 4.13Å; V497-T501 PolarHBondContact O-N 3.11Å; V497-T501 PolarHBondContact O-OG1 2.85Å; W498-T501 PolarHBondContact O-N 3.33Å; T501-I503 PolarHBondContact O-N 3.43Å; T501-G504 PolarHBondContact O-N 3.46Å; T501-Y505 WeakPolarHBondContact O-CB 3.46Å; T501-Y505 PolarHBondContact O-N 3.47Å; T501-L519 WeakPolarHBondContact OG1-CD2 3.35Å
502	I	89.3	Confident	87.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.2	-67.6	162.6	0	0	0	111.2	L91 D97 R104 H112 W498 M499 V500 G504 T506	L91-I502 HydrophobicContact CD1-CB 4.26Å; L91-I502 HydrophobicContact CD1-CG1 3.44Å; L91-I502 VanDerWaalsContact CD1-CG1 3.44Å; D97-I502 HydrophobicContact CB-CD1 4.34Å; R104-I502 VanDerWaalsContact CD-CG2 3.4Å; H112-I502 WeakPolarHBondContact CD2-CG2 3.38Å; W498-I502 HydrophobicContact CG-CD1 4.42Å; W498-I502 WeakPolarHBondContact O-CG1 3.45Å; W498-I502 PolarHBondContact O-N 3.02Å; M499-I502 HydrophobicContact CE-CD1 3.71Å; M499-I502 PolarHBondContact O-N 2.98Å; M499-I502 HydrophobicContact SD-CD1 4.39Å; V500-I502 VanDerWaalsContact C-N 3.34Å; V500-I502 PolarHBondContact O-N 2.93Å; I502-G504 VanDerWaalsContact C-N 3.35Å; I502-T506 WeakPolarHBondContact O-CB 3.06Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 2.85Å
503	I	89.8	Confident	87.1	Confident	30 Å²	30	26 Å²	26	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-47.7	177.3	-66.8	159.7	0	0	0	109.7	V109 H112 V113 A116 M499 V500 T501 Y505 T506 L507	V109-I503 HydrophobicContact CG2-CG1 4.08Å; V109-I503 HydrophobicContact CG2-CG2 4.49Å; H112-I503 HydrophobicContact CB-CD1 4.33Å; H112-I503 HydrophobicContact CB-CG1 3.98Å; V113-I503 HydrophobicContact CB-CD1 4.43Å; V113-I503 HydrophobicContact CG2-CD1 3.76Å; V113-I503 HydrophobicContact CG2-CG1 4.12Å; A116-I503 HydrophobicContact CB-CD1 4.4Å; M499-I503 WeakPolarHBondContact O-CD1 3.12Å; M499-I503 VanDerWaalsContact O-CG1 3.24Å; M499-I503 WeakPolarHBondContact O-CG1 3.18Å; M499-I503 PolarHBondContact O-N 2.59Å; V500-I503 PolarHBondContact O-N 3.03Å; T501-I503 PolarHBondContact O-N 3.43Å; I503-Y505 PolarHBondContact O-N 3.17Å; I503-T506 WeakPolarHBondContact O-CB 3.2Å; I503-T506 PolarHBondContact O-N 2.89Å; I503-T506 VanDerWaalsContact O-N 3.16Å; I503-L507 HydrophobicContact CG2-CD1 3.71Å; I503-L507 HydrophobicContact CG2-CG 4.43Å; I503-L507 VanDerWaalsContact O-CG 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 3.23Å
504	G	88.2	Confident	86.7	Confident	1 Å²	1	26 Å²	26	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-56.2	-50.2	178.9	0	0	0	0	0	113.9	V500 T501 I502 T506 L507 G508 I509	V500-G504 PolarHBondContact O-N 3.09Å; T501-G504 PolarHBondContact O-N 3.46Å; I502-G504 VanDerWaalsContact C-N 3.35Å; G504-T506 VanDerWaalsContact C-N 3.32Å; G504-T506 PolarHBondContact O-N 2.86Å; G504-L507 PolarHBondContact O-N 2.96Å; G504-G508 PolarHBondContact O-N 3.07Å; G504-I509 PolarHBondContact O-N 2.74Å
505	Y	85.8	Confident	86.4	Confident	38 Å²	38	23.5 Å²	23.5	15%	0.149	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-41.1	176.2	-179.6	-83.3	0	0	0	111.7	P89 L91 N101 T501 I503 L507 G508 D645	P89-Y505 HydrophobicContact CB-CD2 3.83Å; P89-Y505 HydrophobicContact CB-CE2 3.6Å; P89-Y505 HydrophobicContact CG-CD2 4.36Å; P89-Y505 HydrophobicContact CG-CE2 3.67Å; L91-Y505 HydrophobicContact CB-CD2 4.26Å; L91-Y505 HydrophobicContact CB-CG 4.31Å; L91-Y505 HydrophobicContact CD2-CD1 3.81Å; L91-Y505 HydrophobicContact CD2-CD2 4.33Å; L91-Y505 HydrophobicContact CD2-CE1 4.25Å; L91-Y505 HydrophobicContact CD2-CG 3.86Å; N101-Y505 VanDerWaalsContact CG-CE1 3.47Å; N101-Y505 WeakPolarHBondContact ND2-CE1 3.12Å; N101-Y505 PolarHBondContact ND2-OH 2.95Å; N101-Y505 VanDerWaalsContact ND2-OH 3.17Å; N101-Y505 WeakPolarHBondContact OD1-CE1 3.19Å; T501-Y505 WeakPolarHBondContact O-CB 3.46Å; T501-Y505 PolarHBondContact O-N 3.47Å; I503-Y505 PolarHBondContact O-N 3.17Å; Y505-L507 VanDerWaalsContact C-N 3.27Å; Y505-L507 PolarHBondContact O-N 3.42Å; Y505-G508 PolarHBondContact O-N 3.1Å; Y505-D645 PolarHBondContact OH-OD1 3.44Å; Y505-D645 PolarHBondContact OH-OD2 2.98Å
506	T	87.4	Confident	86	Confident	18 Å²	18	21.5 Å²	21.5	11%	0.11	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-34.7	178.8	-53.5	0	0	0	0	112	R104 R105 V109 I502 I503 G504 G508	R104-T506 HydrophobicContact CB-CG2 3.83Å; R104-T506 PolarHBondContact NH1-OG1 3.5Å; R105-T506 HydrophobicContact CG-CG2 4.3Å; V109-T506 HydrophobicContact CB-CG2 4.26Å; V109-T506 HydrophobicContact CG2-CG2 4.18Å; I502-T506 WeakPolarHBondContact O-CB 3.06Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 2.85Å; I503-T506 WeakPolarHBondContact O-CB 3.2Å; I503-T506 PolarHBondContact O-N 2.89Å; I503-T506 VanDerWaalsContact O-N 3.16Å; G504-T506 VanDerWaalsContact C-N 3.32Å; G504-T506 PolarHBondContact O-N 2.86Å; T506-G508 VanDerWaalsContact C-N 3.28Å
507	L	86.4	Confident	85.8	Confident	84 Å²	84	21.7 Å²	21.7	44%	0.44	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.3	175.9	-65.8	166.8	0	0	0	113.4	W37 I503 G504 Y505 I509	W37-L507 HydrophobicContact CH2-CD1 3.79Å; W37-L507 HydrophobicContact CH2-CD2 3.93Å; W37-L507 HydrophobicContact CZ2-CD1 3.52Å; W37-L507 HydrophobicContact CZ2-CD2 4.07Å; W37-L507 HydrophobicContact CZ2-CG 4.42Å; I503-L507 HydrophobicContact CG2-CD1 3.71Å; I503-L507 HydrophobicContact CG2-CG 4.43Å; I503-L507 VanDerWaalsContact O-CG 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 3.23Å; G504-L507 PolarHBondContact O-N 2.96Å; Y505-L507 VanDerWaalsContact C-N 3.27Å; Y505-L507 PolarHBondContact O-N 3.42Å; L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 HydrophobicContact CB-CD1 4.06Å; L507-I509 HydrophobicContact CB-CG1 3.98Å; L507-I509 HydrophobicContact CD1-CD1 4.03Å
508	G	83.2	Confident	85.6	Confident	46 Å²	46	25.7 Å²	25.7	47%	0.474	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	22.6	-178.4	0	0	0	0	0	114	G504 Y505 T506	G504-G508 PolarHBondContact O-N 3.07Å; Y505-G508 PolarHBondContact O-N 3.1Å; T506-G508 VanDerWaalsContact C-N 3.28Å
509	I	84.1	Confident	85.6	Confident	29 Å²	29	24.4 Å²	24.4	15%	0.149	14%	0.139	C	C	.	.			trans	-74.6	129.9	179	-59.9	172.5	0	0	0	109	G504 L507 I513 M514 F518 M642	G504-I509 PolarHBondContact O-N 2.74Å; L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 HydrophobicContact CB-CD1 4.06Å; L507-I509 HydrophobicContact CB-CG1 3.98Å; L507-I509 HydrophobicContact CD1-CD1 4.03Å; I509-I513 HydrophobicContact CG2-CB 4.19Å; I509-I513 HydrophobicContact CG2-CG2 4.04Å; I509-M514 HydrophobicContact CB-CE 3.71Å; I509-M514 HydrophobicContact CD1-CE 3.78Å; I509-M514 HydrophobicContact CG1-CE 4.32Å; I509-M514 HydrophobicContact CG2-CE 3.63Å; I509-F518 HydrophobicContact CD1-CD2 4.46Å; I509-F518 HydrophobicContact CD1-CE2 3.82Å; I509-F518 HydrophobicContact CD1-CZ 4.34Å; I509-M642 WeakPolarHBondContact O-CE 3.22Å
510	P	81.6	Confident	85.5	Confident	35 Å²	35	23.9 Å²	23.9	23%	0.227	14%	0.137	C	C	.	.			trans	-53	135.5	174.4	-28	36.1	0	0	0	113.9	V512 I513 M514 F632 M642	P510-V512 VanDerWaalsContact C-N 3.26Å; P510-V512 PolarHBondContact O-N 2.75Å; P510-I513 HydrophobicContact CB-CB 4.39Å; P510-I513 HydrophobicContact CB-CD1 4.09Å; P510-I513 HydrophobicContact CB-CG1 4.16Å; P510-I513 HydrophobicContact CG-CD1 3.93Å; P510-I513 CarbonylContact O-C 3.59Å; P510-I513 WeakPolarHBondContact O-CA 3.38Å; P510-I513 WeakPolarHBondContact O-CB 3.34Å; P510-I513 PolarHBondContact O-N 3.34Å; P510-M514 PolarHBondContact O-N 2.88Å; P510-F632 HydrophobicContact CG-CE1 3.83Å; P510-F632 HydrophobicContact CG-CZ 4.19Å; P510-M642 VanDerWaalsContact CA-CE 3.45Å; P510-M642 VanDerWaalsContact CA-SD 3.58Å; P510-M642 HydrophobicContact CB-CE 4.43Å
511	D	78.4	Confident	85.6	Confident	8 Å²	8	23.7 Å²	23.7	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-33.4	-177.1	-71.1	-30	0	0	0	113.9	P89 A90 I513 M514 G515 M642	P89-D511 WeakPolarHBondContact CA-OD2 3.32Å; A90-D511 HydrophobicContact CB-CB 4.22Å; A90-D511 VanDerWaalsContact N-CG 3.33Å; A90-D511 PolarHBondContact N-OD1 3.26Å; A90-D511 PolarHBondContact N-OD2 3Å; D511-I513 VanDerWaalsContact C-N 3.33Å; D511-M514 WeakPolarHBondContact O-CB 3.47Å; D511-M514 PolarHBondContact O-N 2.91Å; D511-G515 PolarHBondContact O-N 3.07Å; D511-M642 HydrophobicContact CB-SD 4.22Å; D511-M642 PolarHBondContact N-SD 3.11Å
512	V	77.6	Confident	85.7	Confident	41 Å²	41	24 Å²	24	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-40.4	176.8	-173	0	0	0	0	110.6	P510 G515 I516 E631	P510-V512 VanDerWaalsContact C-N 3.26Å; P510-V512 PolarHBondContact O-N 2.75Å; V512-G515 PolarHBondContact O-N 3.24Å; V512-I516 HydrophobicContact CG1-CD1 3.85Å; V512-I516 WeakPolarHBondContact O-CG1 3.45Å; V512-I516 PolarHBondContact O-N 3.05Å; V512-E631 HydrophobicContact CG1-CG 4.41Å; V512-E631 WeakPolarHBondContact CG1-OE2 3.28Å
513	I	82.9	Confident	85.8	Confident	9 Å²	9	24 Å²	24	5%	0.046	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-46.6	174.2	-61.5	177.2	0	0	0	109.3	I509 P510 D511 G515 I516 T517 I628 E631 F632	I509-I513 HydrophobicContact CG2-CB 4.19Å; I509-I513 HydrophobicContact CG2-CG2 4.04Å; P510-I513 HydrophobicContact CB-CB 4.39Å; P510-I513 HydrophobicContact CB-CD1 4.09Å; P510-I513 HydrophobicContact CB-CG1 4.16Å; P510-I513 HydrophobicContact CG-CD1 3.93Å; P510-I513 CarbonylContact O-C 3.59Å; P510-I513 WeakPolarHBondContact O-CA 3.38Å; P510-I513 WeakPolarHBondContact O-CB 3.34Å; P510-I513 PolarHBondContact O-N 3.34Å; D511-I513 VanDerWaalsContact C-N 3.33Å; I513-G515 VanDerWaalsContact C-N 3.28Å; I513-G515 PolarHBondContact O-N 3.4Å; I513-I516 PolarHBondContact O-N 2.95Å; I513-T517 HydrophobicContact CG2-CG2 4.1Å; I513-T517 WeakPolarHBondContact O-CB 3.44Å; I513-T517 WeakPolarHBondContact O-CG2 3.43Å; I513-T517 PolarHBondContact O-N 2.85Å; I513-T517 PolarHBondContact O-OG1 2.64Å; I513-I628 HydrophobicContact CG2-CG1 4.19Å; I513-E631 HydrophobicContact CD1-CB 4.27Å; I513-E631 HydrophobicContact CG1-CB 3.8Å; I513-E631 HydrophobicContact CG1-CG 4.49Å; I513-F632 HydrophobicContact CD1-CD1 4.26Å; I513-F632 HydrophobicContact CD1-CD2 3.64Å; I513-F632 HydrophobicContact CD1-CE1 3.96Å; I513-F632 HydrophobicContact CD1-CE2 3.3Å; I513-F632 HydrophobicContact CD1-CG 4.11Å; I513-F632 HydrophobicContact CD1-CZ 3.47Å; I513-F632 VanDerWaalsContact CD1-CZ 3.47Å
514	M	83.6	Confident	85.9	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.015	13%	0.134	C	C	.	.	I	π-helix	trans	-51.3	-49.1	174.3	-170.8	54.3	42.9	0	0	110.9	V500 I509 P510 D511 F518 L519	V500-M514 HydrophobicContact CG1-SD 4.06Å; I509-M514 HydrophobicContact CB-CE 3.71Å; I509-M514 HydrophobicContact CD1-CE 3.78Å; I509-M514 HydrophobicContact CG1-CE 4.32Å; I509-M514 HydrophobicContact CG2-CE 3.63Å; P510-M514 PolarHBondContact O-N 2.88Å; D511-M514 WeakPolarHBondContact O-CB 3.47Å; D511-M514 PolarHBondContact O-N 2.91Å; M514-F518 HydrophobicContact CE-CB 4.16Å; M514-F518 HydrophobicContact CE-CD2 3.51Å; M514-F518 HydrophobicContact CE-CE2 4.19Å; M514-F518 HydrophobicContact CE-CG 4.06Å; M514-F518 CarbonylContact O-C 3.51Å; M514-F518 PolarHBondContact O-N 3.37Å; M514-F518 HydrophobicContact SD-CB 3.43Å; M514-F518 WeakPolarHBondContact SD-CB 3.48Å; M514-F518 HydrophobicContact SD-CD2 3.98Å; M514-F518 HydrophobicContact SD-CG 3.99Å; M514-L519 HydrophobicContact CG-CD1 4.36Å; M514-L519 HydrophobicContact CG-CD2 4.03Å; M514-L519 HydrophobicContact CG-CG 3.94Å; M514-L519 WeakPolarHBondContact O-CG 3.48Å; M514-L519 PolarHBondContact O-N 3.38Å; M514-L519 HydrophobicContact SD-CD2 4.2Å
515	G	83.1	Confident	86.1	Confident	3 Å²	3	23.2 Å²	23.2	3%	0.031	14%	0.138	C	C	.	.	I	π-helix	trans	-58.3	-56.3	177.9	0	0	0	0	0	113.8	D511 V512 I513 T517 A520	D511-G515 PolarHBondContact O-N 3.07Å; V512-G515 PolarHBondContact O-N 3.24Å; I513-G515 VanDerWaalsContact C-N 3.28Å; I513-G515 PolarHBondContact O-N 3.4Å; G515-T517 VanDerWaalsContact C-N 3.3Å; G515-T517 PolarHBondContact O-N 3.4Å; G515-A520 WeakPolarHBondContact O-CB 3.39Å; G515-A520 PolarHBondContact O-N 3.38Å
516	I	83.6	Confident	86.5	Confident	17 Å²	17	21.4 Å²	21.4	9%	0.087	13%	0.131	C	C	.	.	I	π-helix	trans	-72.3	-22.9	-174.9	-62.6	168.9	0	0	0	112.2	G184 V512 I513 A520 E631	G184-I516 WeakPolarHBondContact CA-O 3.43Å; V512-I516 HydrophobicContact CG1-CD1 3.85Å; V512-I516 WeakPolarHBondContact O-CG1 3.45Å; V512-I516 PolarHBondContact O-N 3.05Å; I513-I516 PolarHBondContact O-N 2.95Å; I516-A520 VanDerWaalsContact O-CB 3.26Å; I516-A520 WeakPolarHBondContact O-CB 3.3Å; I516-E631 HydrophobicContact CD1-CG 4.25Å
517	T	87.2	Confident	86.9	Confident	10 Å²	10	20.5 Å²	20.5	6%	0.061	13%	0.125	C	C	.	.	I	π-helix	trans	-111.6	-65.7	-174.4	75.1	0	0	0	0	113.3	I513 G515 A521 L624 I628	I513-T517 HydrophobicContact CG2-CG2 4.1Å; I513-T517 WeakPolarHBondContact O-CB 3.44Å; I513-T517 WeakPolarHBondContact O-CG2 3.43Å; I513-T517 PolarHBondContact O-N 2.85Å; I513-T517 PolarHBondContact O-OG1 2.64Å; G515-T517 VanDerWaalsContact C-N 3.3Å; G515-T517 PolarHBondContact O-N 3.4Å; T517-A521 WeakPolarHBondContact O-CB 3.43Å; T517-A521 PolarHBondContact O-N 2.87Å; T517-L624 HydrophobicContact CG2-CD1 3.25Å; T517-I628 HydrophobicContact CG2-CG1 4.35Å
518	F	87.7	Confident	87.3	Confident	86 Å²	86	17.3 Å²	17.3	38%	0.377	11%	0.11	S	C	.	.	I	π-helix	trans	-85	-39.9	-168.7	-72.7	-76.1	0	0	0	112.2	V500 I509 M514 G522	V500-F518 HydrophobicContact CG1-CB 3.82Å; I509-F518 HydrophobicContact CD1-CD2 4.46Å; I509-F518 HydrophobicContact CD1-CE2 3.82Å; I509-F518 HydrophobicContact CD1-CZ 4.34Å; M514-F518 HydrophobicContact CE-CB 4.16Å; M514-F518 HydrophobicContact CE-CD2 3.51Å; M514-F518 HydrophobicContact CE-CE2 4.19Å; M514-F518 HydrophobicContact CE-CG 4.06Å; M514-F518 CarbonylContact O-C 3.51Å; M514-F518 PolarHBondContact O-N 3.37Å; M514-F518 HydrophobicContact SD-CB 3.43Å; M514-F518 WeakPolarHBondContact SD-CB 3.48Å; M514-F518 HydrophobicContact SD-CD2 3.98Å; M514-F518 HydrophobicContact SD-CG 3.99Å; F518-G522 PolarHBondContact O-N 3.04Å
519	L	88.1	Confident	87.8	Confident	13 Å²	13	15.3 Å²	15.3	7%	0.068	9%	0.088	C	C	.	.	I	π-helix	trans	-70	-46.2	174.4	-55.8	-167.5	0	0	0	109.9	T181 V497 V500 T501 M514 A521 G522 T523	T181-L519 HydrophobicContact CG2-CB 4.46Å; V497-L519 HydrophobicContact CG1-CD2 4.14Å; V500-L519 HydrophobicContact CG1-CD2 4.12Å; T501-L519 WeakPolarHBondContact OG1-CD2 3.35Å; M514-L519 HydrophobicContact CG-CD1 4.36Å; M514-L519 HydrophobicContact CG-CD2 4.03Å; M514-L519 HydrophobicContact CG-CG 3.94Å; M514-L519 WeakPolarHBondContact O-CG 3.48Å; M514-L519 PolarHBondContact O-N 3.38Å; M514-L519 HydrophobicContact SD-CD2 4.2Å; L519-A521 PolarHBondContact O-N 3.22Å; L519-G522 CarbonylContact O-C 3.55Å; L519-G522 WeakPolarHBondContact O-CA 3.13Å; L519-G522 PolarHBondContact O-N 3.01Å; L519-G522 VanDerWaalsContact O-N 3.08Å; L519-T523 PolarHBondContact O-N 2.95Å; L519-T523 PolarHBondContact O-OG1 3.09Å; L519-T523 VanDerWaalsContact O-OG1 3.13Å
520	A	89.8	Confident	88.3	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-52.1	-52.2	171	0	0	0	0	0	112.4	S185 G515 I516 G522 T523 S524	S185-A520 VanDerWaalsContact OG-CA 3.29Å; S185-A520 WeakPolarHBondContact OG-CA 3.4Å; S185-A520 PolarHBondContact OG-O 2.95Å; G515-A520 WeakPolarHBondContact O-CB 3.39Å; G515-A520 PolarHBondContact O-N 3.38Å; I516-A520 VanDerWaalsContact O-CB 3.26Å; I516-A520 WeakPolarHBondContact O-CB 3.3Å; A520-G522 VanDerWaalsContact C-N 3.28Å; A520-G522 PolarHBondContact O-N 2.68Å; A520-T523 PolarHBondContact O-N 3.43Å; A520-T523 PolarHBondContact O-OG1 3.35Å; A520-S524 WeakPolarHBondContact O-CB 3.45Å; A520-S524 PolarHBondContact O-N 3.48Å; A520-S524 VanDerWaalsContact O-N 3.16Å; A520-S524 PolarHBondContact O-OG 2.94Å
521	A	91.4	Very high	88.9	Confident	25 Å²	25	12.2 Å²	12.2	21%	0.207	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-36.5	176.7	0	0	0	0	0	112.4	F188 T517 L519 V525	F188-A521 HydrophobicContact CD2-CB 3.94Å; F188-A521 HydrophobicContact CE2-CB 3.65Å; F188-A521 HydrophobicContact CZ-CB 4.2Å; T517-A521 WeakPolarHBondContact O-CB 3.43Å; T517-A521 PolarHBondContact O-N 2.87Å; L519-A521 PolarHBondContact O-N 3.22Å; A521-V525 VanDerWaalsContact O-CG2 3.3Å; A521-V525 WeakPolarHBondContact O-CG2 3.49Å; A521-V525 PolarHBondContact O-N 2.94Å
522	G	90.8	Very high	89.7	Confident	6 Å²	6	12.2 Å²	12.2	6%	0.062	7%	0.07	C	C	.	.	H	α-helix	trans	-63.6	-53.2	177.3	0	0	0	0	0	112.4	M496 F518 L519 A520 S524 V525	M496-G522 WeakPolarHBondContact CE-O 3.43Å; F518-G522 PolarHBondContact O-N 3.04Å; L519-G522 CarbonylContact O-C 3.55Å; L519-G522 WeakPolarHBondContact O-CA 3.13Å; L519-G522 PolarHBondContact O-N 3.01Å; L519-G522 VanDerWaalsContact O-N 3.08Å; A520-G522 VanDerWaalsContact C-N 3.28Å; A520-G522 PolarHBondContact O-N 2.68Å; G522-S524 PolarHBondContact O-N 2.89Å; G522-V525 WeakPolarHBondContact O-CB 3.33Å; G522-V525 WeakPolarHBondContact O-CG2 3.26Å; G522-V525 PolarHBondContact O-N 3.49Å
523	T	90.7	Very high	90.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-25.8	179.9	51.2	0	0	0	0	113	T165 T181 S185 V497 L519 A520 P526	T165-T523 HydrophobicContact CG2-CG2 3.66Å; T181-T523 HydrophobicContact CG2-CG2 4.49Å; S185-T523 PolarHBondContact OG-OG1 2.9Å; V497-T523 HydrophobicContact CG2-CG2 3.75Å; L519-T523 PolarHBondContact O-N 2.95Å; L519-T523 PolarHBondContact O-OG1 3.09Å; L519-T523 VanDerWaalsContact O-OG1 3.13Å; A520-T523 PolarHBondContact O-N 3.43Å; A520-T523 PolarHBondContact O-OG1 3.35Å; T523-P526 VanDerWaalsContact O-CD 3.25Å; T523-P526 WeakPolarHBondContact O-CD 3.48Å
524	S	93.2	Very high	90.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.4	178.1	-51.9	0	0	0	0	114.7	E162 S185 N189 A520 G522 D527 C528	E162-S524 PolarHBondContact OE1-OG 2.78Å; S185-S524 VanDerWaalsContact CB-OG 3.23Å; S185-S524 WeakPolarHBondContact CB-OG 3.25Å; S185-S524 PolarHBondContact OG-OG 2.94Å; N189-S524 WeakPolarHBondContact OD1-CB 2.89Å; N189-S524 PolarHBondContact OD1-OG 3.2Å; A520-S524 WeakPolarHBondContact O-CB 3.45Å; A520-S524 PolarHBondContact O-N 3.48Å; A520-S524 VanDerWaalsContact O-N 3.16Å; A520-S524 PolarHBondContact O-OG 2.94Å; G522-S524 PolarHBondContact O-N 2.89Å; S524-D527 PolarHBondContact O-N 2.74Å; S524-C528 WeakPolarHBondContact O-CB 3.33Å; S524-C528 PolarHBondContact O-N 2.96Å
525	V	92.5	Very high	91.2	Very high	14 Å²	14	9.9 Å²	9.9	9%	0.085	6%	0.056	C	C	.	.	H	α-helix	trans	-57.3	-45.8	172.3	169.2	0	0	0	0	112	F120 L123 M496 A521 G522 D527 C528 M529	F120-V525 HydrophobicContact CD2-CB 4.41Å; F120-V525 HydrophobicContact CD2-CG1 3.56Å; F120-V525 HydrophobicContact CD2-CG2 3.9Å; F120-V525 HydrophobicContact CE2-CB 4.18Å; F120-V525 HydrophobicContact CE2-CG1 3.31Å; F120-V525 HydrophobicContact CE2-CG2 3.71Å; F120-V525 HydrophobicContact CG-CG1 4.45Å; F120-V525 HydrophobicContact CZ-CG1 3.99Å; L123-V525 HydrophobicContact CD1-CB 4.35Å; L123-V525 HydrophobicContact CD1-CG1 3.97Å; M496-V525 HydrophobicContact CE-CB 3.99Å; M496-V525 HydrophobicContact CE-CG2 3.82Å; M496-V525 HydrophobicContact SD-CG2 4.2Å; A521-V525 VanDerWaalsContact O-CG2 3.3Å; A521-V525 WeakPolarHBondContact O-CG2 3.49Å; A521-V525 PolarHBondContact O-N 2.94Å; G522-V525 WeakPolarHBondContact O-CB 3.33Å; G522-V525 WeakPolarHBondContact O-CG2 3.26Å; G522-V525 PolarHBondContact O-N 3.49Å; V525-D527 VanDerWaalsContact C-N 3.34Å; V525-D527 PolarHBondContact O-N 3.39Å; V525-C528 WeakPolarHBondContact O-CB 3.27Å; V525-C528 PolarHBondContact O-N 3.31Å; V525-M529 HydrophobicContact CG1-CG 4.1Å; V525-M529 WeakPolarHBondContact O-CG 3.39Å; V525-M529 PolarHBondContact O-N 2.89Å
526	P	93.9	Very high	91.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-41.6	179.4	-23.7	37.7	0	0	0	112.3	L123 P161 I489 T523 C528 M529 A530	L123-P526 HydrophobicContact CD1-CG 4.24Å; L123-P526 HydrophobicContact CD2-CG 4.09Å; P161-P526 HydrophobicContact CG-CG 4.15Å; I489-P526 HydrophobicContact CG2-CB 3.48Å; I489-P526 VanDerWaalsContact CG2-CB 3.48Å; I489-P526 HydrophobicContact CG2-CG 3.56Å; T523-P526 VanDerWaalsContact O-CD 3.25Å; T523-P526 WeakPolarHBondContact O-CD 3.48Å; P526-C528 VanDerWaalsContact C-N 3.33Å; P526-C528 PolarHBondContact O-N 3.22Å; P526-M529 PolarHBondContact O-N 2.8Å; P526-A530 VanDerWaalsContact O-CB 3.22Å; P526-A530 WeakPolarHBondContact O-CB 3.38Å; P526-A530 PolarHBondContact O-N 3.45Å
527	D	95.2	Very high	91.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.8	-44.9	173.8	-62.2	-74.5	0	0	0	111.5	S158 S159 I193 S524 V525 S531 S550	S158-D527 WeakPolarHBondContact CB-OD1 3.41Å; S158-D527 PolarHBondContact OG-OD1 2.94Å; S159-D527 PolarHBondContact OG-OD1 3.42Å; I193-D527 HydrophobicContact CD1-CB 3.43Å; I193-D527 VanDerWaalsContact CD1-CB 3.43Å; S524-D527 PolarHBondContact O-N 2.74Å; V525-D527 VanDerWaalsContact C-N 3.34Å; V525-D527 PolarHBondContact O-N 3.39Å; D527-S531 WeakPolarHBondContact O-CB 3.12Å; D527-S531 PolarHBondContact O-N 3.33Å; D527-S531 PolarHBondContact O-OG 3.44Å; D527-S550 PolarHBondContact OD1-OG 2.98Å
528	C	94.6	Very high	91.7	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.108	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-47.1	178.5	-175.8	0	0	0	0	111.5	F188 I193 S524 V525 P526 L532	F188-C528 HydrophobicContact CE1-CB 4.48Å; I193-C528 HydrophobicContact CD1-CB 4.23Å; I193-C528 HydrophobicContact CG1-CB 3.92Å; S524-C528 WeakPolarHBondContact O-CB 3.33Å; S524-C528 PolarHBondContact O-N 2.96Å; V525-C528 WeakPolarHBondContact O-CB 3.27Å; V525-C528 PolarHBondContact O-N 3.31Å; P526-C528 VanDerWaalsContact C-N 3.33Å; P526-C528 PolarHBondContact O-N 3.22Å; C528-L532 VanDerWaalsContact O-CB 3.23Å; C528-L532 WeakPolarHBondContact O-CB 3.29Å; C528-L532 PolarHBondContact O-N 3.44Å
529	M	93.3	Very high	91.8	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.02	7%	0.071	C	C	.	.	H	α-helix	trans	-67.3	-48.4	-178.7	-72	-55.5	-50.9	0	0	111.4	L22 F120 A124 C127 V525 P526 S531 L532 I533	L22-M529 HydrophobicContact CD1-CE 4.36Å; L22-M529 HydrophobicContact CD2-CE 4.17Å; F120-M529 HydrophobicContact CE1-SD 4.27Å; F120-M529 HydrophobicContact CZ-SD 4.06Å; A124-M529 HydrophobicContact CB-CE 3.56Å; A124-M529 HydrophobicContact CB-CG 4.5Å; A124-M529 HydrophobicContact CB-SD 4.39Å; C127-M529 HydrophobicContact CB-CB 4.37Å; V525-M529 HydrophobicContact CG1-CG 4.1Å; V525-M529 WeakPolarHBondContact O-CG 3.39Å; V525-M529 PolarHBondContact O-N 2.89Å; P526-M529 PolarHBondContact O-N 2.8Å; M529-S531 PolarHBondContact O-N 3.28Å; M529-L532 PolarHBondContact O-N 3.04Å; M529-I533 VanDerWaalsContact O-CD1 3.29Å; M529-I533 WeakPolarHBondContact O-CD1 3.14Å; M529-I533 WeakPolarHBondContact O-CG1 3.31Å; M529-I533 PolarHBondContact O-N 2.9Å
530	A	94.4	Very high	92	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-45.6	178.9	0	0	0	0	0	110.9	F131 M154 P526 L532 I533 V534	F131-A530 HydrophobicContact CD1-CB 4.21Å; F131-A530 HydrophobicContact CE1-CB 4.08Å; M154-A530 HydrophobicContact CE-CB 3.35Å; M154-A530 VanDerWaalsContact CE-O 3.29Å; M154-A530 WeakPolarHBondContact CE-O 3.45Å; P526-A530 VanDerWaalsContact O-CB 3.22Å; P526-A530 WeakPolarHBondContact O-CB 3.38Å; P526-A530 PolarHBondContact O-N 3.45Å; A530-L532 PolarHBondContact O-N 2.55Å; A530-I533 PolarHBondContact O-N 3.27Å; A530-V534 WeakPolarHBondContact O-CG2 3.05Å; A530-V534 PolarHBondContact O-N 2.83Å; A530-V534 VanDerWaalsContact O-N 3.11Å
531	S	95.2	Very high	92.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.4	-40.6	177.8	-55.5	0	0	0	0	112.3	I193 D527 M529 V534 A535 A543 N546	I193-S531 VanDerWaalsContact CG2-CB 3.45Å; D527-S531 WeakPolarHBondContact O-CB 3.12Å; D527-S531 PolarHBondContact O-N 3.33Å; D527-S531 PolarHBondContact O-OG 3.44Å; M529-S531 PolarHBondContact O-N 3.28Å; S531-V534 WeakPolarHBondContact O-CG2 3.46Å; S531-A535 VanDerWaalsContact O-CB 3.23Å; S531-A535 WeakPolarHBondContact O-CB 3.21Å; S531-A535 PolarHBondContact O-N 3.11Å; S531-A543 WeakPolarHBondContact O-CB 3.5Å; S531-N546 PolarHBondContact OG-ND2 2.86Å
532	L	94.6	Very high	92.2	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-66	-41.7	177.2	178.3	60.3	0	0	0	111.9	L22 V196 F200 C528 M529 A530 A535 R536	L22-L532 HydrophobicContact CD2-CD2 3.81Å; V196-L532 HydrophobicContact CG1-CD1 4.4Å; V196-L532 HydrophobicContact CG1-CD2 4.13Å; F200-L532 HydrophobicContact CB-CD1 3.74Å; F200-L532 HydrophobicContact CB-CD2 4.37Å; C528-L532 VanDerWaalsContact O-CB 3.23Å; C528-L532 WeakPolarHBondContact O-CB 3.29Å; C528-L532 PolarHBondContact O-N 3.44Å; M529-L532 PolarHBondContact O-N 3.04Å; A530-L532 PolarHBondContact O-N 2.55Å; L532-A535 PolarHBondContact O-N 3.5Å; L532-R536 HydrophobicContact CD1-CG 4.39Å; L532-R536 WeakPolarHBondContact O-CB 3.48Å; L532-R536 VanDerWaalsContact O-CG 3.29Å; L532-R536 WeakPolarHBondContact O-CG 3.42Å; L532-R536 PolarHBondContact O-N 3.46Å
533	I	90.9	Very high	92.4	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-61.7	-46.6	178.6	-68.3	158.1	0	0	0	110.3	C127 D128 V132 M529 A530 R536 Q537	C127-I533 HydrophobicContact CB-CD1 3.81Å; D128-I533 HydrophobicContact CB-CD1 3.73Å; D128-I533 HydrophobicContact CB-CG1 4.45Å; D128-I533 WeakPolarHBondContact OD1-CG2 3.45Å; V132-I533 HydrophobicContact CB-CG2 4.31Å; V132-I533 HydrophobicContact CG1-CG2 4.13Å; V132-I533 HydrophobicContact CG2-CB 4.35Å; V132-I533 HydrophobicContact CG2-CG2 4.04Å; M529-I533 VanDerWaalsContact O-CD1 3.29Å; M529-I533 WeakPolarHBondContact O-CD1 3.14Å; M529-I533 WeakPolarHBondContact O-CG1 3.31Å; M529-I533 PolarHBondContact O-N 2.9Å; A530-I533 PolarHBondContact O-N 3.27Å; I533-R536 WeakPolarHBondContact O-CB 3.42Å; I533-R536 PolarHBondContact O-N 3.04Å; I533-Q537 PolarHBondContact O-N 3.21Å
534	V	92.5	Very high	92.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-72.7	-33.8	179.3	-56.6	0	0	0	0	113	V132 M154 A530 S531 R536 Q537 G538 M539 M542 A543	V132-V534 HydrophobicContact CG1-CG1 3.82Å; V132-V534 HydrophobicContact CG2-CG1 4.15Å; M154-V534 HydrophobicContact CE-CG1 4.12Å; M154-V534 HydrophobicContact CE-CG2 3.83Å; M154-V534 HydrophobicContact SD-CG1 4.49Å; M154-V534 HydrophobicContact SD-CG2 4.4Å; A530-V534 WeakPolarHBondContact O-CG2 3.05Å; A530-V534 PolarHBondContact O-N 2.83Å; A530-V534 VanDerWaalsContact O-N 3.11Å; S531-V534 WeakPolarHBondContact O-CG2 3.46Å; V534-R536 VanDerWaalsContact C-N 3.29Å; V534-R536 PolarHBondContact O-N 3.43Å; V534-Q537 WeakPolarHBondContact O-CB 2.94Å; V534-Q537 PolarHBondContact O-N 3.31Å; V534-Q537 VanDerWaalsContact O-N 3.08Å; V534-G538 PolarHBondContact O-N 2.92Å; V534-M539 HydrophobicContact CB-CB 4.37Å; V534-M539 HydrophobicContact CB-CE 4.11Å; V534-M539 HydrophobicContact CG1-CE 4.17Å; V534-M539 PolarHBondContact O-N 3.29Å; V534-M542 HydrophobicContact CB-SD 4.22Å; V534-M542 HydrophobicContact CG1-CE 4.46Å; V534-M542 HydrophobicContact CG1-SD 3.96Å; V534-M542 HydrophobicContact CG2-CB 4.33Å; V534-M542 HydrophobicContact CG2-CG 4.25Å; V534-A543 HydrophobicContact CG2-CB 3.81Å
535	A	92.9	Very high	92.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-36.8	172.3	0	0	0	0	0	112	C197 A201 Q203 S531 L532 Q537 G538 A543	C197-A535 HydrophobicContact CB-CB 4.09Å; A201-A535 HydrophobicContact CB-CB 4.07Å; Q203-A535 PolarHBondContact NE2-O 2.81Å; S531-A535 VanDerWaalsContact O-CB 3.23Å; S531-A535 WeakPolarHBondContact O-CB 3.21Å; S531-A535 PolarHBondContact O-N 3.11Å; L532-A535 PolarHBondContact O-N 3.5Å; A535-Q537 VanDerWaalsContact C-N 3.28Å; A535-Q537 PolarHBondContact O-N 2.95Å; A535-G538 PolarHBondContact O-N 3.4Å; A535-A543 HydrophobicContact CB-CB 3.93Å
536	R	89.2	Confident	92.8	Very high	32 Å²	32	11.1 Å²	11.1	12%	0.121	7%	0.065	C	C	.	.	H	α-helix	trans	-69.6	-22.8	173.6	-75.2	175.6	168.3	-164.6	4.1	113.8	R18 L22 F200 A201 Q203 L532 I533 V534 G538	R18-R536 PolarHBondContact O-NH1 2.87Å; R18-R536 VanDerWaalsContact O-NH1 3.16Å; L22-R536 VanDerWaalsContact CG-NH1 3.27Å; F200-R536 PolarHBondContact O-NE 3.47Å; A201-R536 WeakPolarHBondContact O-CG 3.3Å; Q203-R536 PolarHBondContact NE2-O 3.25Å; L532-R536 HydrophobicContact CD1-CG 4.39Å; L532-R536 WeakPolarHBondContact O-CB 3.48Å; L532-R536 VanDerWaalsContact O-CG 3.29Å; L532-R536 WeakPolarHBondContact O-CG 3.42Å; L532-R536 PolarHBondContact O-N 3.46Å; I533-R536 WeakPolarHBondContact O-CB 3.42Å; I533-R536 PolarHBondContact O-N 3.04Å; V534-R536 VanDerWaalsContact C-N 3.29Å; V534-R536 PolarHBondContact O-N 3.43Å; R536-G538 PolarHBondContact O-N 3.34Å
537	Q	87.6	Confident	92.8	Very high	50 Å²	50	11.1 Å²	11.1	23%	0.234	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.6	170.1	-70.7	162.7	-33.6	0	0	112.5	R18 E136 I533 V534 A535 M539	R18-Q537 VanDerWaalsContact NH1-NE2 3.12Å; E136-Q537 VanDerWaalsContact OE1-CD 3.31Å; E136-Q537 PolarHBondContact OE1-NE2 3.01Å; E136-Q537 PolarHBondContact OE1-OE1 2.92Å; I533-Q537 PolarHBondContact O-N 3.21Å; V534-Q537 WeakPolarHBondContact O-CB 2.94Å; V534-Q537 PolarHBondContact O-N 3.31Å; V534-Q537 VanDerWaalsContact O-N 3.08Å; A535-Q537 VanDerWaalsContact C-N 3.28Å; A535-Q537 PolarHBondContact O-N 2.95Å; Q537-M539 VanDerWaalsContact C-N 3.31Å; Q537-M539 HydrophobicContact CB-CE 3.76Å; Q537-M539 HydrophobicContact CB-CG 4.44Å; Q537-M539 HydrophobicContact CG-CE 4.31Å
538	G	87.8	Confident	92.8	Very high	36 Å²	36	11.4 Å²	11.4	37%	0.371	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	1.2	-176.8	0	0	0	0	0	113.2	Q203 V534 A535 R536 G540	Q203-G538 VanDerWaalsContact NE2-CA 3.34Å; V534-G538 PolarHBondContact O-N 2.92Å; A535-G538 PolarHBondContact O-N 3.4Å; R536-G538 PolarHBondContact O-N 3.34Å; G538-G540 PolarHBondContact O-N 3.01Å; G538-G540 VanDerWaalsContact O-N 3.08Å
539	M	90.3	Very high	92.8	Very high	27 Å²	27	10.7 Å²	10.7	13%	0.133	6%	0.061	C	C	.	.			trans	-86.2	57.9	177.5	-59.3	-173.8	-73.3	0	0	110.6	E146 V534 Q537 D541 M542 A543	E146-M539 HydrophobicContact CG-SD 4.24Å; E146-M539 WeakPolarHBondContact OE2-CG 3.24Å; V534-M539 HydrophobicContact CB-CB 4.37Å; V534-M539 HydrophobicContact CB-CE 4.11Å; V534-M539 HydrophobicContact CG1-CE 4.17Å; V534-M539 PolarHBondContact O-N 3.29Å; Q537-M539 VanDerWaalsContact C-N 3.31Å; Q537-M539 HydrophobicContact CB-CE 3.76Å; Q537-M539 HydrophobicContact CB-CG 4.44Å; Q537-M539 HydrophobicContact CG-CE 4.31Å; M539-D541 VanDerWaalsContact C-N 3.29Å; M539-D541 PolarHBondContact O-N 2.87Å; M539-M542 HydrophobicContact CB-CB 3.99Å; M539-M542 HydrophobicContact CE-SD 4.3Å; M539-M542 WeakPolarHBondContact O-CB 3.45Å; M539-M542 PolarHBondContact O-N 3.38Å; M539-M542 VanDerWaalsContact O-N 3.17Å; M539-M542 HydrophobicContact SD-SD 4.25Å; M539-A543 PolarHBondContact O-N 3.22Å; M539-A543 VanDerWaalsContact O-N 3.09Å
540	G	91.3	Very high	92.9	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-28.8	-177.4	0	0	0	0	0	113.4	L207 G538 M542 A543 V544	L207-G540 VanDerWaalsContact CD2-C 3.49Å; L207-G540 WeakPolarHBondContact CD2-O 3.33Å; G538-G540 PolarHBondContact O-N 3.01Å; G538-G540 VanDerWaalsContact O-N 3.08Å; G540-M542 VanDerWaalsContact C-N 3.31Å; G540-A543 PolarHBondContact O-N 2.83Å; G540-V544 WeakPolarHBondContact O-CG2 3.4Å; G540-V544 PolarHBondContact O-N 3.35Å
541	D	92.2	Very high	93	Very high	45 Å²	45	10.5 Å²	10.5	24%	0.241	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-44.1	171	-76.2	-21.5	0	0	0	110.2	L207 S208 M539 A543 S545	L207-D541 VanDerWaalsContact CA-OD1 3.27Å; L207-D541 WeakPolarHBondContact CA-OD1 3.49Å; S208-D541 WeakPolarHBondContact CB-OD2 3.35Å; S208-D541 PolarHBondContact N-OD1 3.5Å; M539-D541 VanDerWaalsContact C-N 3.29Å; M539-D541 PolarHBondContact O-N 2.87Å; D541-A543 PolarHBondContact O-N 3.37Å; D541-S545 WeakPolarHBondContact O-CB 3.21Å; D541-S545 PolarHBondContact O-N 2.85Å; D541-S545 PolarHBondContact O-OG 2.88Å
542	M	93.9	Very high	93	Very high	3 Å²	3	10.5 Å²	10.5	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-42.7	174.3	-171.6	176.1	-172.8	0	0	112.1	L135 E146 A149 M154 V534 M539 G540 N546	L135-M542 HydrophobicContact CB-CE 4.33Å; L135-M542 HydrophobicContact CD1-CE 4.43Å; E146-M542 HydrophobicContact CB-CB 4.32Å; E146-M542 WeakPolarHBondContact O-CG 3.2Å; A149-M542 HydrophobicContact CB-CE 4.49Å; M154-M542 HydrophobicContact CB-CE 4.43Å; M154-M542 HydrophobicContact SD-CE 3.75Å; M154-M542 HydrophobicContact SD-CG 4Å; M154-M542 HydrophobicContact SD-SD 4.47Å; V534-M542 HydrophobicContact CB-SD 4.22Å; V534-M542 HydrophobicContact CG1-CE 4.46Å; V534-M542 HydrophobicContact CG1-SD 3.96Å; V534-M542 HydrophobicContact CG2-CB 4.33Å; V534-M542 HydrophobicContact CG2-CG 4.25Å; M539-M542 HydrophobicContact CB-CB 3.99Å; M539-M542 HydrophobicContact CE-SD 4.3Å; M539-M542 WeakPolarHBondContact O-CB 3.45Å; M539-M542 PolarHBondContact O-N 3.38Å; M539-M542 VanDerWaalsContact O-N 3.17Å; M539-M542 HydrophobicContact SD-SD 4.25Å; G540-M542 VanDerWaalsContact C-N 3.31Å; M542-N546 VanDerWaalsContact O-CB 3.27Å; M542-N546 WeakPolarHBondContact O-CB 3.27Å; M542-N546 PolarHBondContact O-N 3.37Å
543	A	95	Very high	93.1	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-47.5	178.9	0	0	0	0	0	112.8	S531 V534 A535 M539 G540 D541 N546 S547	S531-A543 WeakPolarHBondContact O-CB 3.5Å; V534-A543 HydrophobicContact CG2-CB 3.81Å; A535-A543 HydrophobicContact CB-CB 3.93Å; M539-A543 PolarHBondContact O-N 3.22Å; M539-A543 VanDerWaalsContact O-N 3.09Å; G540-A543 PolarHBondContact O-N 2.83Å; D541-A543 PolarHBondContact O-N 3.37Å; A543-N546 PolarHBondContact O-N 3.36Å; A543-S547 PolarHBondContact O-N 3.46Å
544	V	93.6	Very high	93.3	Very high	6 Å²	6	10.7 Å²	10.7	4%	0.036	6%	0.061	C	C	.	.	H	α-helix	trans	-72.3	-40.6	-179.3	175.2	0	0	0	0	110.8	I194 L207 L212 G540 N546 S547 I548	I194-V544 HydrophobicContact CD1-CG1 4.34Å; L207-V544 HydrophobicContact CD1-CG2 3.92Å; L207-V544 HydrophobicContact CD2-CB 4.31Å; L207-V544 HydrophobicContact CD2-CG2 3.7Å; L207-V544 HydrophobicContact CG-CG2 4.48Å; L212-V544 HydrophobicContact CD1-CG1 4.3Å; G540-V544 WeakPolarHBondContact O-CG2 3.4Å; G540-V544 PolarHBondContact O-N 3.35Å; V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 2.89Å; V544-S547 PolarHBondContact O-N 2.87Å; V544-I548 HydrophobicContact CG1-CD1 3.97Å; V544-I548 WeakPolarHBondContact O-CG1 3.33Å; V544-I548 PolarHBondContact O-N 3.5Å
545	S	94.8	Very high	93.3	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-62.9	-34	173.5	-76.8	0	0	0	0	112.4	D147 A151 D215 D541 G549	D147-S545 WeakPolarHBondContact O-CB 3.46Å; A151-S545 WeakPolarHBondContact CA-O 3.34Å; D215-S545 VanDerWaalsContact OD2-CB 3.29Å; D215-S545 WeakPolarHBondContact OD2-CB 3.37Å; D215-S545 PolarHBondContact OD2-OG 3.39Å; D541-S545 WeakPolarHBondContact O-CB 3.21Å; D541-S545 PolarHBondContact O-N 2.85Å; D541-S545 PolarHBondContact O-OG 2.88Å; S545-G549 WeakPolarHBondContact O-CA 3.22Å; S545-G549 PolarHBondContact O-N 3.19Å
546	N	95.4	Very high	93.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.6	-53.6	170.8	-174.6	63.6	0	0	0	111.2	G150 M154 A155 S531 M542 A543 V544 I548 G549 S550	G150-N546 PolarHBondContact O-OD1 3.49Å; M154-N546 WeakPolarHBondContact CB-OD1 3.18Å; M154-N546 HydrophobicContact CE-CB 3.97Å; M154-N546 HydrophobicContact CG-CB 4.23Å; M154-N546 WeakPolarHBondContact CG-OD1 3.25Å; M154-N546 HydrophobicContact SD-CB 3.61Å; M154-N546 VanDerWaalsContact SD-CG 3.57Å; A155-N546 VanDerWaalsContact CA-OD1 3.27Å; A155-N546 WeakPolarHBondContact CA-OD1 3.46Å; A155-N546 PolarHBondContact N-OD1 3.3Å; S531-N546 PolarHBondContact OG-ND2 2.86Å; M542-N546 VanDerWaalsContact O-CB 3.27Å; M542-N546 WeakPolarHBondContact O-CB 3.27Å; M542-N546 PolarHBondContact O-N 3.37Å; A543-N546 PolarHBondContact O-N 3.36Å; V544-N546 VanDerWaalsContact C-N 3.28Å; V544-N546 PolarHBondContact O-N 2.89Å; N546-I548 VanDerWaalsContact C-N 3.27Å; N546-I548 PolarHBondContact O-N 3.33Å; N546-G549 PolarHBondContact O-N 3.24Å; N546-G549 VanDerWaalsContact O-N 3.1Å; N546-S550 WeakPolarHBondContact O-CB 3.32Å; N546-S550 PolarHBondContact O-N 2.89Å; N546-S550 PolarHBondContact O-OG 3.47Å; N546-S550 VanDerWaalsContact O-OG 3.05Å
547	S	94.7	Very high	93.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-52.5	-41.3	178.6	157.6	0	0	0	0	113.4	N189 A543 V544 N551	N189-S547 PolarHBondContact O-OG 3.31Å; A543-S547 PolarHBondContact O-N 3.46Å; V544-S547 PolarHBondContact O-N 2.87Å; S547-N551 PolarHBondContact O-ND2 3.46Å
548	I	94.4	Very high	94.1	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.031	5%	0.048	C	C	.	.	H	α-helix	trans	-79.3	-41.5	176.9	-59.6	169.4	0	0	0	111.3	I190 D215 Y219 V544 N546 N551 V552	I190-I548 HydrophobicContact CD1-CB 4.37Å; I190-I548 HydrophobicContact CD1-CG1 3.72Å; D215-I548 HydrophobicContact CB-CB 4.13Å; D215-I548 HydrophobicContact CB-CD1 4.2Å; D215-I548 HydrophobicContact CB-CG2 3.75Å; Y219-I548 HydrophobicContact CD1-CG2 4.28Å; Y219-I548 HydrophobicContact CG-CG2 4.16Å; V544-I548 HydrophobicContact CG1-CD1 3.97Å; V544-I548 WeakPolarHBondContact O-CG1 3.33Å; V544-I548 PolarHBondContact O-N 3.5Å; N546-I548 VanDerWaalsContact C-N 3.27Å; N546-I548 PolarHBondContact O-N 3.33Å; I548-N551 PolarHBondContact O-N 3.28Å; I548-V552 WeakPolarHBondContact O-CG2 3.39Å; I548-V552 PolarHBondContact O-N 2.78Å; I548-V552 VanDerWaalsContact O-N 3.1Å
549	G	95.6	Very high	94.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.4	-39.4	-178.9	0	0	0	0	0	113.4	S545 N546 N551 V552 F553	S545-G549 WeakPolarHBondContact O-CA 3.22Å; S545-G549 PolarHBondContact O-N 3.19Å; N546-G549 PolarHBondContact O-N 3.24Å; N546-G549 VanDerWaalsContact O-N 3.1Å; G549-N551 VanDerWaalsContact C-N 3.29Å; G549-N551 PolarHBondContact O-N 3.05Å; G549-V552 WeakPolarHBondContact O-CB 3.03Å; G549-V552 PolarHBondContact O-N 2.85Å; G549-F553 WeakPolarHBondContact O-CB 3.37Å; G549-F553 PolarHBondContact O-N 2.97Å
550	S	95.5	Very high	94.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-55.3	-46.4	172.3	-67.4	0	0	0	0	110.1	S159 D527 N546 V552 F553 D554	S159-S550 WeakPolarHBondContact OG-CB 3.41Å; S159-S550 PolarHBondContact OG-OG 3.34Å; D527-S550 PolarHBondContact OD1-OG 2.98Å; N546-S550 WeakPolarHBondContact O-CB 3.32Å; N546-S550 PolarHBondContact O-N 2.89Å; N546-S550 PolarHBondContact O-OG 3.47Å; N546-S550 VanDerWaalsContact O-OG 3.05Å; S550-V552 PolarHBondContact O-N 3.4Å; S550-F553 CarbonylContact O-C 3.45Å; S550-F553 WeakPolarHBondContact O-CA 3.42Å; S550-F553 VanDerWaalsContact O-CB 3.29Å; S550-F553 WeakPolarHBondContact O-CB 3.11Å; S550-F553 PolarHBondContact O-N 3.32Å; S550-D554 PolarHBondContact O-N 2.91Å
551	N	94.7	Very high	94.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-68.6	-34.4	178.4	-62.6	-13.5	0	0	0	113.8	A186 N189 I190 Y219 S547 I548 G549 F553 D554 I555	A186-N551 WeakPolarHBondContact CA-OD1 3.28Å; A186-N551 HydrophobicContact CB-CB 4.3Å; A186-N551 PolarHBondContact O-ND2 3.23Å; N189-N551 WeakPolarHBondContact CB-OD1 3.38Å; N189-N551 PolarHBondContact ND2-OD1 3.38Å; I190-N551 WeakPolarHBondContact CD1-ND2 2.98Å; I190-N551 WeakPolarHBondContact CG1-ND2 3.41Å; Y219-N551 HydrophobicContact CD2-CB 3.95Å; Y219-N551 HydrophobicContact CE1-CB 4.43Å; Y219-N551 HydrophobicContact CE2-CB 3.44Å; Y219-N551 VanDerWaalsContact CE2-CB 3.44Å; S547-N551 PolarHBondContact O-ND2 3.46Å; I548-N551 PolarHBondContact O-N 3.28Å; G549-N551 VanDerWaalsContact C-N 3.29Å; G549-N551 PolarHBondContact O-N 3.05Å; N551-F553 VanDerWaalsContact C-N 3.29Å; N551-D554 PolarHBondContact O-N 3.3Å; N551-I555 WeakPolarHBondContact O-CG1 3.45Å; N551-I555 PolarHBondContact O-N 3.03Å
552	V	95.9	Very high	94.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.6	-42.6	171.5	173	0	0	0	0	109.7	Y219 Y250 I548 G549 S550 L556	Y219-V552 HydrophobicContact CD2-CG2 4.01Å; Y219-V552 HydrophobicContact CG-CG2 4.29Å; Y250-V552 HydrophobicContact CD1-CG1 4.15Å; Y250-V552 HydrophobicContact CD2-CG1 4.33Å; Y250-V552 HydrophobicContact CE1-CG1 4.19Å; Y250-V552 HydrophobicContact CE2-CG1 4.35Å; Y250-V552 HydrophobicContact CG-CG1 4.21Å; I548-V552 WeakPolarHBondContact O-CG2 3.39Å; I548-V552 PolarHBondContact O-N 2.78Å; I548-V552 VanDerWaalsContact O-N 3.1Å; G549-V552 WeakPolarHBondContact O-CB 3.03Å; G549-V552 PolarHBondContact O-N 2.85Å; S550-V552 PolarHBondContact O-N 3.4Å; V552-L556 HydrophobicContact CG1-CD1 3.73Å; V552-L556 HydrophobicContact CG1-CG 4.41Å; V552-L556 VanDerWaalsContact O-CB 3.28Å; V552-L556 WeakPolarHBondContact O-CB 3.34Å; V552-L556 VanDerWaalsContact O-CG 3.27Å; V552-L556 WeakPolarHBondContact O-CG 3.35Å; V552-L556 PolarHBondContact O-N 3.23Å
553	F	96.1	Very high	94.6	Very high	16 Å²	16	5.7 Å²	5.7	7%	0.07	3%	0.03	C	C	.	.	H	α-helix	trans	-63	-47.5	175.6	-179.9	-90.7	0	0	0	111.6	A156 L163 Y247 G549 S550 N551 I555 L556 I557 G558	A156-F553 HydrophobicContact CB-CD2 4.02Å; A156-F553 HydrophobicContact CB-CE2 3.74Å; A156-F553 HydrophobicContact CB-CZ 4.25Å; L163-F553 HydrophobicContact CB-CE1 4.25Å; L163-F553 HydrophobicContact CD2-CE1 4.42Å; L163-F553 HydrophobicContact CD2-CZ 4.18Å; Y247-F553 HydrophobicContact CE1-CD2 4.38Å; Y247-F553 HydrophobicContact CE2-CB 4.29Å; Y247-F553 AromaticContact CE2-CD2 3.84Å; Y247-F553 HydrophobicContact CE2-CD2 3.84Å; Y247-F553 AromaticContact CZ-CD2 3.65Å; Y247-F553 WeakPolarHBondContact OH-CD2 3.45Å; G549-F553 WeakPolarHBondContact O-CB 3.37Å; G549-F553 PolarHBondContact O-N 2.97Å; S550-F553 CarbonylContact O-C 3.45Å; S550-F553 WeakPolarHBondContact O-CA 3.42Å; S550-F553 VanDerWaalsContact O-CB 3.29Å; S550-F553 WeakPolarHBondContact O-CB 3.11Å; S550-F553 PolarHBondContact O-N 3.32Å; N551-F553 VanDerWaalsContact C-N 3.29Å; F553-I555 PolarHBondContact O-N 3.03Å; F553-L556 PolarHBondContact O-N 2.6Å; F553-I557 HydrophobicContact CD2-CB 4.11Å; F553-I557 HydrophobicContact CD2-CG1 4.15Å; F553-I557 HydrophobicContact CD2-CG2 4.49Å; F553-I557 HydrophobicContact CE1-CG2 4.35Å; F553-I557 HydrophobicContact CE2-CB 3.98Å; F553-I557 HydrophobicContact CE2-CG1 4.15Å; F553-I557 HydrophobicContact CE2-CG2 3.86Å; F553-I557 HydrophobicContact CG-CB 4.45Å; F553-I557 HydrophobicContact CZ-CB 4.2Å; F553-I557 HydrophobicContact CZ-CG2 3.78Å; F553-I557 CarbonylContact O-C 3.59Å; F553-I557 WeakPolarHBondContact O-CA 3.37Å; F553-I557 WeakPolarHBondContact O-CB 3.46Å; F553-I557 PolarHBondContact O-N 3.42Å; F553-G558 PolarHBondContact O-N 2.9Å
554	D	95	Very high	94.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-64.2	-41.5	-178	-62.7	-30.8	0	0	0	112.8	S159 E162 I182 S550 N551 G558 L559	S159-D554 WeakPolarHBondContact CB-OD1 3.34Å; E162-D554 VanDerWaalsContact OE2-OD1 3.13Å; I182-D554 HydrophobicContact CG2-CB 3.96Å; S550-D554 PolarHBondContact O-N 2.91Å; N551-D554 PolarHBondContact O-N 3.3Å; D554-G558 CarbonylContact O-C 3.39Å; D554-G558 WeakPolarHBondContact O-CA 3.3Å; D554-G558 PolarHBondContact O-N 2.93Å; D554-L559 PolarHBondContact O-N 3.2Å
555	I	93.8	Very high	94.4	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.052	C	C	.	.	I	π-helix	trans	-70.2	-46.9	178.3	-68	179.4	0	0	0	110.8	Y219 V223 L226 N551 F553	Y219-I555 HydrophobicContact CD2-CD1 4.41Å; Y219-I555 HydrophobicContact CE2-CD1 3.63Å; V223-I555 HydrophobicContact CG2-CD1 3.64Å; L226-I555 HydrophobicContact CB-CG2 4.01Å; L226-I555 HydrophobicContact CD2-CD1 4.29Å; L226-I555 HydrophobicContact CD2-CG1 4.26Å; L226-I555 HydrophobicContact CD2-CG2 4.02Å; L226-I555 HydrophobicContact CG-CG2 4.4Å; N551-I555 WeakPolarHBondContact O-CG1 3.45Å; N551-I555 PolarHBondContact O-N 3.03Å; F553-I555 PolarHBondContact O-N 3.03Å
556	L	96.2	Very high	94.2	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.058	C	C	.	.	I	π-helix	trans	-84.4	-39	-170.4	-61.9	-177.2	0	0	0	113.3	L243 M246 Y247 V552 F553 G560	L243-L556 CarbonylContact C-O 3.6Å; L243-L556 HydrophobicContact CB-CD2 4.39Å; L243-L556 HydrophobicContact CD2-CD2 3.83Å; M246-L556 HydrophobicContact CB-CD1 4.06Å; M246-L556 HydrophobicContact CB-CD2 3.98Å; Y247-L556 HydrophobicContact CD2-CB 4.45Å; Y247-L556 HydrophobicContact CD2-CD1 4.42Å; V552-L556 HydrophobicContact CG1-CD1 3.73Å; V552-L556 HydrophobicContact CG1-CG 4.41Å; V552-L556 VanDerWaalsContact O-CB 3.28Å; V552-L556 WeakPolarHBondContact O-CB 3.34Å; V552-L556 VanDerWaalsContact O-CG 3.27Å; V552-L556 WeakPolarHBondContact O-CG 3.35Å; V552-L556 PolarHBondContact O-N 3.23Å; F553-L556 PolarHBondContact O-N 2.6Å; L556-G560 WeakPolarHBondContact O-CA 3.46Å; L556-G560 PolarHBondContact O-N 3.42Å
557	I	96	Very high	93.9	Very high	16 Å²	16	11 Å²	11	8%	0.082	6%	0.058	C	C	.	.	I	π-helix	trans	-102.4	-48.1	178.5	-61.2	-59.6	0	0	0	110.7	L163 V244 Y247 F553 L559 L561 P562	L163-I557 HydrophobicContact CD1-CG2 4.27Å; L163-I557 HydrophobicContact CD2-CG2 4.47Å; V244-I557 HydrophobicContact CB-CD1 4.47Å; V244-I557 HydrophobicContact CG1-CD1 4.09Å; V244-I557 HydrophobicContact CG2-CD1 4.4Å; Y247-I557 HydrophobicContact CD1-CD1 3.57Å; Y247-I557 HydrophobicContact CD1-CG1 3.46Å; Y247-I557 VanDerWaalsContact CD1-CG1 3.46Å; Y247-I557 HydrophobicContact CD2-CG1 3.97Å; Y247-I557 HydrophobicContact CE1-CD1 4.34Å; Y247-I557 HydrophobicContact CE1-CG1 3.91Å; Y247-I557 HydrophobicContact CE2-CG1 4.38Å; Y247-I557 HydrophobicContact CG-CD1 3.78Å; Y247-I557 HydrophobicContact CG-CG1 3.49Å; Y247-I557 VanDerWaalsContact CG-CG1 3.49Å; F553-I557 HydrophobicContact CD2-CB 4.11Å; F553-I557 HydrophobicContact CD2-CG1 4.15Å; F553-I557 HydrophobicContact CD2-CG2 4.49Å; F553-I557 HydrophobicContact CE1-CG2 4.35Å; F553-I557 HydrophobicContact CE2-CB 3.98Å; F553-I557 HydrophobicContact CE2-CG1 4.15Å; F553-I557 HydrophobicContact CE2-CG2 3.86Å; F553-I557 HydrophobicContact CG-CB 4.45Å; F553-I557 HydrophobicContact CZ-CB 4.2Å; F553-I557 HydrophobicContact CZ-CG2 3.78Å; F553-I557 CarbonylContact O-C 3.59Å; F553-I557 WeakPolarHBondContact O-CA 3.37Å; F553-I557 WeakPolarHBondContact O-CB 3.46Å; F553-I557 PolarHBondContact O-N 3.42Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.5Å; I557-L561 HydrophobicContact CG2-CB 4.21Å; I557-L561 HydrophobicContact CG2-CD1 4.1Å; I557-L561 WeakPolarHBondContact O-CB 3.49Å; I557-L561 PolarHBondContact O-N 3.44Å; I557-P562 VanDerWaalsContact O-CD 3.3Å; I557-P562 WeakPolarHBondContact O-CD 3.31Å
558	G	93.6	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-56.9	-38.3	-179.5	0	0	0	0	0	113.8	S166 F553 D554 P562	S166-G558 VanDerWaalsContact CB-O 3.27Å; S166-G558 WeakPolarHBondContact CB-O 3.33Å; S166-G558 PolarHBondContact OG-O 3.3Å; F553-G558 PolarHBondContact O-N 2.9Å; D554-G558 CarbonylContact O-C 3.39Å; D554-G558 WeakPolarHBondContact O-CA 3.3Å; D554-G558 PolarHBondContact O-N 2.93Å; G558-P562 WeakPolarHBondContact O-CD 3.43Å; G558-P562 WeakPolarHBondContact O-CG 3.44Å
559	L	92.3	Very high	93.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-95.5	-47.7	171.4	-63.1	172.9	0	0	0	112.4	V179 I182 L226 D554 I557 L561 P562 W563	V179-L559 HydrophobicContact CB-CD2 4.27Å; V179-L559 HydrophobicContact CG1-CD1 4.31Å; V179-L559 HydrophobicContact CG1-CD2 4.07Å; V179-L559 HydrophobicContact CG2-CD2 4.03Å; I182-L559 HydrophobicContact CB-CD2 4.31Å; I182-L559 HydrophobicContact CB-CG 4.49Å; I182-L559 HydrophobicContact CD1-CD2 3.47Å; I182-L559 VanDerWaalsContact CD1-CD2 3.47Å; I182-L559 HydrophobicContact CD1-CG 3.67Å; I182-L559 HydrophobicContact CG1-CD2 4.4Å; I182-L559 HydrophobicContact CG2-CD1 4.08Å; I182-L559 HydrophobicContact CG2-CD2 4.43Å; I182-L559 HydrophobicContact CG2-CG 4.08Å; L226-L559 HydrophobicContact CD1-CD1 3.74Å; L226-L559 HydrophobicContact CD2-CD1 4.03Å; D554-L559 PolarHBondContact O-N 3.2Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.5Å; L559-L561 PolarHBondContact O-N 3.21Å; L559-P562 WeakPolarHBondContact O-CD 3.39Å; L559-W563 HydrophobicContact CB-CD2 4.18Å; L559-W563 HydrophobicContact CB-CE3 4.04Å; L559-W563 HydrophobicContact CB-CH2 3.97Å; L559-W563 HydrophobicContact CB-CZ2 4.07Å; L559-W563 HydrophobicContact CB-CZ3 3.94Å; L559-W563 HydrophobicContact CD1-CH2 3.97Å; L559-W563 HydrophobicContact CD1-CZ2 4.3Å; L559-W563 HydrophobicContact CD2-CH2 4.37Å; L559-W563 HydrophobicContact CD2-CZ2 3.88Å; L559-W563 HydrophobicContact CG-CH2 4.33Å; L559-W563 HydrophobicContact CG-CZ2 4.31Å; L559-W563 WeakPolarHBondContact O-CB 3.28Å; L559-W563 PolarHBondContact O-N 3.09Å; L559-W563 VanDerWaalsContact O-N 3.09Å
560	G	94.4	Very high	93.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-39.1	-173	0	0	0	0	0	113.9	L556 A564	L556-G560 WeakPolarHBondContact O-CA 3.46Å; L556-G560 PolarHBondContact O-N 3.42Å; G560-A564 WeakPolarHBondContact O-CB 3.39Å; G560-A564 PolarHBondContact O-N 3.05Å
561	L	94.3	Very high	92.5	Very high	71 Å²	71	26.4 Å²	26.4	37%	0.372	15%	0.152	S	C	.	.	H	α-helix	trans	-72.2	-51.9	-179.1	-174.1	168	0	0	0	111.9	V244 I557 L559 W563 A564 L565	V244-L561 HydrophobicContact CG2-CB 4.36Å; I557-L561 HydrophobicContact CG2-CB 4.21Å; I557-L561 HydrophobicContact CG2-CD1 4.1Å; I557-L561 WeakPolarHBondContact O-CB 3.49Å; I557-L561 PolarHBondContact O-N 3.44Å; L559-L561 PolarHBondContact O-N 3.21Å; L561-W563 VanDerWaalsContact C-N 3.31Å; L561-W563 PolarHBondContact O-N 2.93Å; L561-A564 PolarHBondContact O-N 2.87Å; L561-L565 WeakPolarHBondContact O-CB 3.35Å; L561-L565 PolarHBondContact O-N 2.94Å
562	P	92.5	Very high	92.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-41.6	176.2	-29.3	39.2	0	0	0	113.2	L163 V167 V170 I557 G558 L559 L565 Q566	L163-P562 HydrophobicContact CD1-CG 4.34Å; V167-P562 HydrophobicContact CB-CG 4.49Å; V167-P562 HydrophobicContact CG2-CB 4.37Å; V167-P562 HydrophobicContact CG2-CG 3.67Å; V170-P562 HydrophobicContact CB-CB 3.98Å; V170-P562 HydrophobicContact CG1-CB 4.18Å; V170-P562 HydrophobicContact CG2-CB 3.85Å; I557-P562 VanDerWaalsContact O-CD 3.3Å; I557-P562 WeakPolarHBondContact O-CD 3.31Å; G558-P562 WeakPolarHBondContact O-CD 3.43Å; G558-P562 WeakPolarHBondContact O-CG 3.44Å; L559-P562 WeakPolarHBondContact O-CD 3.39Å; P562-L565 PolarHBondContact O-N 3.34Å; P562-Q566 WeakPolarHBondContact O-CB 3.45Å; P562-Q566 PolarHBondContact O-N 3.46Å
563	W	92.4	Very high	91.6	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-43.2	176.2	-65.7	-16.7	0	0	0	112.2	V179 L226 V235 S240 L243 L559 L561 L565 Q566 T567 I576 L578	V179-W563 HydrophobicContact CG2-CZ2 3.88Å; L226-W563 HydrophobicContact CD1-CH2 3.87Å; L226-W563 HydrophobicContact CD1-CZ3 4.04Å; V235-W563 HydrophobicContact CB-CE3 4.42Å; V235-W563 HydrophobicContact CG1-CD2 4.13Å; V235-W563 HydrophobicContact CG1-CE3 3.7Å; V235-W563 HydrophobicContact CG1-CZ3 4.18Å; V235-W563 HydrophobicContact CG2-CD2 4.48Å; V235-W563 HydrophobicContact CG2-CE3 4.19Å; V235-W563 HydrophobicContact CG2-CH2 4.1Å; V235-W563 HydrophobicContact CG2-CZ2 4.41Å; V235-W563 HydrophobicContact CG2-CZ3 4Å; S240-W563 VanDerWaalsContact OG-CB 3.22Å; S240-W563 WeakPolarHBondContact OG-CB 3.26Å; L243-W563 HydrophobicContact CD1-CE3 3.95Å; L243-W563 HydrophobicContact CD1-CZ3 3.8Å; L559-W563 HydrophobicContact CB-CD2 4.18Å; L559-W563 HydrophobicContact CB-CE3 4.04Å; L559-W563 HydrophobicContact CB-CH2 3.97Å; L559-W563 HydrophobicContact CB-CZ2 4.07Å; L559-W563 HydrophobicContact CB-CZ3 3.94Å; L559-W563 HydrophobicContact CD1-CH2 3.97Å; L559-W563 HydrophobicContact CD1-CZ2 4.3Å; L559-W563 HydrophobicContact CD2-CH2 4.37Å; L559-W563 HydrophobicContact CD2-CZ2 3.88Å; L559-W563 HydrophobicContact CG-CH2 4.33Å; L559-W563 HydrophobicContact CG-CZ2 4.31Å; L559-W563 WeakPolarHBondContact O-CB 3.28Å; L559-W563 PolarHBondContact O-N 3.09Å; L559-W563 VanDerWaalsContact O-N 3.09Å; L561-W563 VanDerWaalsContact C-N 3.31Å; L561-W563 PolarHBondContact O-N 2.93Å; W563-L565 PolarHBondContact O-N 3.32Å; W563-Q566 PolarHBondContact O-N 2.69Å; W563-T567 WeakPolarHBondContact O-CB 3.19Å; W563-T567 WeakPolarHBondContact O-CG2 3.43Å; W563-T567 PolarHBondContact O-N 3.01Å; W563-T567 PolarHBondContact O-OG1 3.43Å; W563-I576 HydrophobicContact CB-CD1 3.68Å; W563-I576 HydrophobicContact CG-CD1 3.61Å; W563-L578 HydrophobicContact CH2-CD1 4.27Å; W563-L578 HydrophobicContact CZ2-CD1 4.19Å; W563-L578 HydrophobicContact CZ2-CD2 4.31Å
564	A	93.3	Very high	91.2	Very high	11 Å²	11	36.8 Å²	36.8	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.5	0	0	0	0	0	111.4	L241 G560 L561 T567 L568	L241-A564 HydrophobicContact CD2-CB 4.15Å; G560-A564 WeakPolarHBondContact O-CB 3.39Å; G560-A564 PolarHBondContact O-N 3.05Å; L561-A564 PolarHBondContact O-N 2.87Å; A564-T567 PolarHBondContact O-OG1 3.48Å; A564-L568 WeakPolarHBondContact O-CB 3.21Å; A564-L568 PolarHBondContact O-N 3.18Å
565	L	91.6	Very high	90.9	Very high	81 Å²	81	43.9 Å²	43.9	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-66	-42.5	179.7	-169.4	67.5	0	0	0	111.4	F171 L561 P562 W563 A569 V570	F171-L565 HydrophobicContact CE1-CD2 4.37Å; F171-L565 HydrophobicContact CE1-CG 4.47Å; F171-L565 HydrophobicContact CE2-CB 4.24Å; F171-L565 HydrophobicContact CE2-CD2 3.92Å; F171-L565 HydrophobicContact CE2-CG 4.3Å; F171-L565 HydrophobicContact CZ-CB 3.83Å; F171-L565 HydrophobicContact CZ-CD2 3.5Å; F171-L565 HydrophobicContact CZ-CG 3.58Å; L561-L565 WeakPolarHBondContact O-CB 3.35Å; L561-L565 PolarHBondContact O-N 2.94Å; P562-L565 PolarHBondContact O-N 3.34Å; W563-L565 PolarHBondContact O-N 3.32Å; L565-A569 HydrophobicContact CD1-CB 3.75Å; L565-A569 HydrophobicContact CG-CB 4.4Å; L565-A569 WeakPolarHBondContact O-CA 3.41Å; L565-A569 VanDerWaalsContact O-CB 3.23Å; L565-A569 WeakPolarHBondContact O-CB 3.41Å; L565-A569 PolarHBondContact O-N 2.99Å; L565-V570 PolarHBondContact O-N 3.13Å
566	Q	89.9	Confident	90.5	Very high	28 Å²	28	44.9 Å²	44.9	13%	0.131	24%	0.24	C	C	.	.	I	π-helix	trans	-66	-46.1	177.1	-176	171.8	56.1	0	0	112.1	V170 F171 P562 W563 V570 D571 I576	V170-Q566 HydrophobicContact CG1-CB 3.92Å; V170-Q566 HydrophobicContact CG1-CG 4.35Å; V170-Q566 PolarHBondContact O-NE2 2.85Å; F171-Q566 HydrophobicContact CZ-CB 4.24Å; P562-Q566 WeakPolarHBondContact O-CB 3.45Å; P562-Q566 PolarHBondContact O-N 3.46Å; W563-Q566 PolarHBondContact O-N 2.69Å; Q566-V570 WeakPolarHBondContact O-CB 3.14Å; Q566-V570 PolarHBondContact O-N 3.2Å; Q566-D571 PolarHBondContact O-N 3.33Å; Q566-D571 VanDerWaalsContact O-N 3.09Å; Q566-I576 HydrophobicContact CB-CD1 4.48Å
567	T	90.8	Very high	89.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-81.6	-18.8	-174.5	57.4	0	0	0	0	114.6	W237 W563 A564 D571 Y572 G573 I576	W237-T567 VanDerWaalsContact CA-OG1 3.28Å; W237-T567 WeakPolarHBondContact CA-OG1 3.45Å; W237-T567 WeakPolarHBondContact CB-OG1 3.48Å; W563-T567 WeakPolarHBondContact O-CB 3.19Å; W563-T567 WeakPolarHBondContact O-CG2 3.43Å; W563-T567 PolarHBondContact O-N 3.01Å; W563-T567 PolarHBondContact O-OG1 3.43Å; A564-T567 PolarHBondContact O-OG1 3.48Å; T567-D571 CarbonylContact C-O 3.52Å; T567-Y572 VanDerWaalsContact O-CA 3.29Å; T567-Y572 WeakPolarHBondContact O-CA 3.46Å; T567-G573 PolarHBondContact O-N 2.82Å; T567-G573 VanDerWaalsContact O-N 3.13Å; T567-I576 HydrophobicContact CG2-CD1 3.93Å; T567-I576 HydrophobicContact CG2-CG1 3.85Å
568	L	91	Very high	89.2	Confident	80 Å²	80	52.2 Å²	52.2	42%	0.419	27%	0.267	S	S	.	.	I	π-helix	trans	-105.4	-44.4	179.2	-170.5	68.6	0	0	0	112.7	A564 Y572	A564-L568 WeakPolarHBondContact O-CB 3.21Å; A564-L568 PolarHBondContact O-N 3.18Å; L568-Y572 HydrophobicContact CD1-CD2 3.83Å; L568-Y572 HydrophobicContact CD1-CE2 3.78Å
569	A	87.8	Confident	88.2	Confident	70 Å²	70	55.5 Å²	55.5	58%	0.579	29%	0.285	S	S	*	.	I	π-helix	trans	-97.3	-31.8	-170.7	0	0	0	0	0	114	L565	L565-A569 HydrophobicContact CD1-CB 3.75Å; L565-A569 HydrophobicContact CG-CB 4.4Å; L565-A569 WeakPolarHBondContact O-CA 3.41Å; L565-A569 VanDerWaalsContact O-CB 3.23Å; L565-A569 WeakPolarHBondContact O-CB 3.41Å; L565-A569 PolarHBondContact O-N 2.99Å
570	V	87.3	Confident	86.8	Confident	82 Å²	82	55.7 Å²	55.7	50%	0.497	29%	0.286	S	S	.	.	I	π-helix	trans	-87.8	-63.1	177	-174.9	0	0	0	0	110.3	F171 L565 Q566	F171-V570 HydrophobicContact CD1-CG2 4.3Å; F171-V570 HydrophobicContact CE1-CG2 3.48Å; F171-V570 VanDerWaalsContact CE1-CG2 3.48Å; F171-V570 HydrophobicContact CZ-CG2 4.24Å; L565-V570 PolarHBondContact O-N 3.13Å; Q566-V570 WeakPolarHBondContact O-CB 3.14Å; Q566-V570 PolarHBondContact O-N 3.2Å
571	D	83.9	Confident	85.7	Confident	96 Å²	96	64.2 Å²	64.2	51%	0.513	32%	0.318	S	S	.	.	S	Bend	trans	-129.1	90.8	-176.1	-72.2	-46.8	0	0	0	110.2	Q566 T567 G573 S574	Q566-D571 PolarHBondContact O-N 3.33Å; Q566-D571 VanDerWaalsContact O-N 3.09Å; T567-D571 CarbonylContact C-O 3.52Å; D571-G573 PolarHBondContact O-N 3.38Å; D571-S574 WeakPolarHBondContact CB-OG 3.27Å; D571-S574 VanDerWaalsContact O-CB 3.24Å; D571-S574 WeakPolarHBondContact O-CB 3.49Å; D571-S574 PolarHBondContact O-N 3.13Å; D571-S574 PolarHBondContact O-OG 2.95Å
572	Y	87.5	Confident	84.6	Confident	170 Å²	170	61.1 Å²	61.1	67%	0.667	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.4	-177.1	-178.2	-93.3	0	0	0	112	T567 L568 S574	T567-Y572 VanDerWaalsContact O-CA 3.29Å; T567-Y572 WeakPolarHBondContact O-CA 3.46Å; L568-Y572 HydrophobicContact CD1-CD2 3.83Å; L568-Y572 HydrophobicContact CD1-CE2 3.78Å; Y572-S574 VanDerWaalsContact C-N 3.29Å
573	G	84.5	Confident	83.8	Confident	30 Å²	30	61.9 Å²	61.9	31%	0.309	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	10.7	178.1	0	0	0	0	0	114.5	T567 D571	T567-G573 PolarHBondContact O-N 2.82Å; T567-G573 VanDerWaalsContact O-N 3.13Å; D571-G573 PolarHBondContact O-N 3.38Å
574	S	88	Confident	83.3	Confident	35 Å²	35	65.5 Å²	65.5	25%	0.245	33%	0.326	C	S	.	.			trans	-67.5	163.3	165.9	63.6	0	0	0	0	111.6	D571 Y572	D571-S574 WeakPolarHBondContact CB-OG 3.27Å; D571-S574 VanDerWaalsContact O-CB 3.24Å; D571-S574 WeakPolarHBondContact O-CB 3.49Å; D571-S574 PolarHBondContact O-N 3.13Å; D571-S574 PolarHBondContact O-OG 2.95Å; Y572-S574 VanDerWaalsContact C-N 3.29Å
575	Y	87.8	Confident	82.7	Confident	148 Å²	148	71.8 Å²	71.8	58%	0.58	35%	0.348	S	S	*	.			trans	-121.3	138.7	176.4	-58.1	-91.4	0	0	0	109.2	K234 V235	K234-Y575 HydrophobicContact CB-CD1 4.43Å; V235-Y575 WeakPolarHBondContact O-CA 3.49Å
576	I	84.8	Confident	82.2	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.1	173.5	-56.2	174.8	0	0	0	107.4	K234 V235 W563 Q566 T567 L578	K234-I576 CarbonylContact C-O 3.51Å; K234-I576 WeakPolarHBondContact CA-O 3.38Å; V235-I576 HydrophobicContact CB-CB 4.34Å; V235-I576 PolarHBondContact N-O 3.3Å; V235-I576 PolarHBondContact O-N 3.35Å; W563-I576 HydrophobicContact CB-CD1 3.68Å; W563-I576 HydrophobicContact CG-CD1 3.61Å; Q566-I576 HydrophobicContact CB-CD1 4.48Å; T567-I576 HydrophobicContact CG2-CD1 3.93Å; T567-I576 HydrophobicContact CG2-CG1 3.85Å; I576-L578 HydrophobicContact CG2-CD2 4.27Å
577	R	83.5	Confident	82	Confident	162 Å²	162	67.2 Å²	67.2	61%	0.611	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.2	177.4	-64.2	-56.8	-156	124.2	10.3	109.1	E233	E233-R577 WeakPolarHBondContact O-CA 3.47Å
578	L	82	Confident	81.7	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	34%	0.344	C	S	.	.			trans	-109.3	134.4	176.7	-61.9	175.3	0	0	0	111	D176 V179 I230 E233 V235 W563 I576 S580 L583	D176-L578 WeakPolarHBondContact OD1-CA 3.46Å; D176-L578 VanDerWaalsContact OD1-CD2 3.24Å; D176-L578 WeakPolarHBondContact OD1-CD2 3.46Å; V179-L578 HydrophobicContact CG2-CD2 3.95Å; I230-L578 HydrophobicContact CB-CD1 4.39Å; I230-L578 HydrophobicContact CD1-CD1 4.42Å; I230-L578 HydrophobicContact CG1-CD1 3.73Å; I230-L578 HydrophobicContact CG2-CD1 4.26Å; E233-L578 PolarHBondContact O-N 3.3Å; V235-L578 HydrophobicContact CG2-CD1 3.56Å; V235-L578 HydrophobicContact CG2-CG 4.27Å; W563-L578 HydrophobicContact CH2-CD1 4.27Å; W563-L578 HydrophobicContact CZ2-CD1 4.19Å; W563-L578 HydrophobicContact CZ2-CD2 4.31Å; I576-L578 HydrophobicContact CG2-CD2 4.27Å; L578-S580 PolarHBondContact O-N 2.86Å; L578-S580 PolarHBondContact O-OG 3.45Å; L578-S580 VanDerWaalsContact O-OG 3.12Å; L578-L583 HydrophobicContact CB-CD2 4.2Å; L578-L583 HydrophobicContact CD1-CD2 4.15Å
579	N	73.6	Confident	81.4	Confident	70 Å²	70	68.5 Å²	68.5	37%	0.374	34%	0.342	S	S	.	.			trans	-72	110.7	172.3	-173	24.6	0	0	0	110.5	D176 L583	D176-N579 PolarHBondContact OD1-N 2.91Å; D176-N579 WeakPolarHBondContact OD2-CA 3.28Å; D176-N579 WeakPolarHBondContact OD2-CB 3.46Å; D176-N579 PolarHBondContact OD2-N 3.31Å; N579-L583 WeakPolarHBondContact O-CB 3.44Å
580	S	61.3	Low	81.4	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.028	31%	0.314	C	S	.	.	H	α-helix	trans	-85.6	-23.9	-158.2	-67.1	0	0	0	0	115.1	E233 L578 I584	E233-S580 WeakPolarHBondContact CB-OG 3.42Å; E233-S580 VanDerWaalsContact CD-OG 3.27Å; E233-S580 WeakPolarHBondContact CG-OG 3.47Å; E233-S580 VanDerWaalsContact OE1-CB 3.24Å; E233-S580 WeakPolarHBondContact OE1-CB 3.38Å; E233-S580 PolarHBondContact OE1-OG 3.33Å; L578-S580 PolarHBondContact O-N 2.86Å; L578-S580 PolarHBondContact O-OG 3.45Å; L578-S580 VanDerWaalsContact O-OG 3.12Å; S580-I584 WeakPolarHBondContact O-CB 3.24Å; S580-I584 VanDerWaalsContact O-CD1 3.25Å; S580-I584 WeakPolarHBondContact O-CD1 3.23Å; S580-I584 WeakPolarHBondContact O-CG1 3.29Å; S580-I584 PolarHBondContact O-N 2.9Å
581	R	72.8	Confident	81.5	Confident	178 Å²	178	64.4 Å²	64.4	67%	0.672	31%	0.307	S	S	*	.	H	α-helix	trans	-70	-53.8	-171.2	-71.4	-174.3	178.8	176.4	1.1	112.9	Y585	R581-Y585 WeakPolarHBondContact O-CD2 3.39Å; R581-Y585 WeakPolarHBondContact O-CE2 3.31Å
582	G	70.4	Confident	81.7	Confident	6 Å²	6	62 Å²	62	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-42.8	179.9	0	0	0	0	0	111.9	I584 Y585 S586 V638	G582-I584 PolarHBondContact O-N 3.32Å; G582-Y585 PolarHBondContact O-N 3.38Å; G582-S586 PolarHBondContact O-N 3.15Å; G582-S586 PolarHBondContact O-OG 3.49Å; G582-V638 VanDerWaalsContact CA-CG1 3.47Å
583	L	75.8	Confident	81.8	Confident	17 Å²	17	54.4 Å²	54.4	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-41.7	-174	-173.6	58.9	0	0	0	112.8	V179 V183 I230 L578 N579 Y585 S586 V587	V179-L583 HydrophobicContact CB-CD1 4.46Å; V179-L583 HydrophobicContact CG1-CD1 3.63Å; V179-L583 HydrophobicContact CG1-CD2 3.95Å; V179-L583 HydrophobicContact CG1-CG 4.44Å; V183-L583 HydrophobicContact CG2-CD1 3.99Å; I230-L583 HydrophobicContact CD1-CD2 3.82Å; I230-L583 HydrophobicContact CD1-CG 4.11Å; I230-L583 HydrophobicContact CG1-CD2 4.43Å; I230-L583 HydrophobicContact CG2-CD2 3.85Å; I230-L583 HydrophobicContact CG2-CG 4.24Å; L578-L583 HydrophobicContact CB-CD2 4.2Å; L578-L583 HydrophobicContact CD1-CD2 4.15Å; N579-L583 WeakPolarHBondContact O-CB 3.44Å; L583-Y585 PolarHBondContact O-N 2.97Å; L583-S586 PolarHBondContact O-N 2.95Å; L583-V587 HydrophobicContact CD1-CG2 3.99Å; L583-V587 HydrophobicContact CG-CG2 4.32Å; L583-V587 WeakPolarHBondContact O-CB 3.29Å; L583-V587 VanDerWaalsContact O-CG2 3.26Å; L583-V587 WeakPolarHBondContact O-CG2 3.49Å; L583-V587 PolarHBondContact O-N 2.91Å
584	I	80.9	Confident	82.1	Confident	77 Å²	77	53.2 Å²	53.2	40%	0.395	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-40.5	178.4	-68.6	166.9	0	0	0	111.4	I230 S580 G582 G588	I230-I584 HydrophobicContact CG2-CG1 4.27Å; S580-I584 WeakPolarHBondContact O-CB 3.24Å; S580-I584 VanDerWaalsContact O-CD1 3.25Å; S580-I584 WeakPolarHBondContact O-CD1 3.23Å; S580-I584 WeakPolarHBondContact O-CG1 3.29Å; S580-I584 PolarHBondContact O-N 2.9Å; G582-I584 PolarHBondContact O-N 3.32Å; I584-G588 PolarHBondContact O-N 3.14Å
585	Y	82	Confident	82.2	Confident	142 Å²	142	58.5 Å²	58.5	56%	0.557	28%	0.278	S	S	*	.	H	α-helix	trans	-65.8	-45.4	176.1	-67	-59.3	0	0	0	111.5	R581 G582 L583 V587 G588 L589	R581-Y585 WeakPolarHBondContact O-CD2 3.39Å; R581-Y585 WeakPolarHBondContact O-CE2 3.31Å; G582-Y585 PolarHBondContact O-N 3.38Å; L583-Y585 PolarHBondContact O-N 2.97Å; Y585-V587 PolarHBondContact O-N 3.3Å; Y585-G588 PolarHBondContact O-N 3.02Å; Y585-L589 WeakPolarHBondContact O-CG 3.42Å; Y585-L589 PolarHBondContact O-N 3.37Å
586	S	81	Confident	82.4	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-41.7	179.2	-60	0	0	0	0	112.2	G582 L583 L589 L590	G582-S586 PolarHBondContact O-N 3.15Å; G582-S586 PolarHBondContact O-OG 3.49Å; L583-S586 PolarHBondContact O-N 2.95Å; S586-L589 PolarHBondContact O-N 2.84Å; S586-L590 PolarHBondContact O-N 3.3Å
587	V	85	Confident	82.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-72.5	-35.1	176.2	-178.9	0	0	0	0	111.8	V183 V223 L226 I227 I230 L583 Y585 L589 L590 L591	V183-V587 HydrophobicContact CG1-CG2 4.4Å; V183-V587 HydrophobicContact CG2-CG2 3.78Å; V223-V587 HydrophobicContact CG1-CG1 4.15Å; L226-V587 HydrophobicContact CD2-CG1 4.22Å; L226-V587 HydrophobicContact CD2-CG2 4.33Å; I227-V587 HydrophobicContact CD1-CG1 4.05Å; I227-V587 HydrophobicContact CG1-CB 4.37Å; I227-V587 HydrophobicContact CG1-CG1 3.4Å; I230-V587 HydrophobicContact CD1-CG2 4.36Å; L583-V587 HydrophobicContact CD1-CG2 3.99Å; L583-V587 HydrophobicContact CG-CG2 4.32Å; L583-V587 WeakPolarHBondContact O-CB 3.29Å; L583-V587 VanDerWaalsContact O-CG2 3.26Å; L583-V587 WeakPolarHBondContact O-CG2 3.49Å; L583-V587 PolarHBondContact O-N 2.91Å; Y585-V587 PolarHBondContact O-N 3.3Å; V587-L589 VanDerWaalsContact C-N 3.26Å; V587-L589 PolarHBondContact O-N 2.87Å; V587-L590 HydrophobicContact CB-CD1 4.5Å; V587-L590 HydrophobicContact CG1-CD1 4.33Å; V587-L590 HydrophobicContact CG2-CD1 4.44Å; V587-L590 VanDerWaalsContact O-CB 3.28Å; V587-L590 WeakPolarHBondContact O-CB 3.37Å; V587-L590 PolarHBondContact O-N 3.03Å; V587-L590 VanDerWaalsContact O-N 3.11Å; V587-L591 PolarHBondContact O-N 3.03Å
588	G	85.5	Confident	83	Confident	35 Å²	35	47.7 Å²	47.7	36%	0.361	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-37.5	171.5	0	0	0	0	0	112.6	I584 Y585 L590 L591 A592	I584-G588 PolarHBondContact O-N 3.14Å; Y585-G588 PolarHBondContact O-N 3.02Å; G588-L590 VanDerWaalsContact C-N 3.35Å; G588-L591 PolarHBondContact O-N 3.18Å; G588-A592 PolarHBondContact O-N 3.35Å
589	L	84.5	Confident	83.4	Confident	72 Å²	72	52.2 Å²	52.2	38%	0.377	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-28.1	174.6	-70.2	172.3	0	0	0	113.1	Y585 S586 V587 A592 S593 F623	Y585-L589 WeakPolarHBondContact O-CG 3.42Å; Y585-L589 PolarHBondContact O-N 3.37Å; S586-L589 PolarHBondContact O-N 2.84Å; V587-L589 VanDerWaalsContact C-N 3.26Å; V587-L589 PolarHBondContact O-N 2.87Å; L589-A592 PolarHBondContact O-N 3.4Å; L589-S593 WeakPolarHBondContact O-CB 3.48Å; L589-S593 PolarHBondContact O-N 3.02Å; L589-F623 HydrophobicContact CB-CD2 4.22Å; L589-F623 HydrophobicContact CB-CE2 3.79Å; L589-F623 HydrophobicContact CD1-CD2 4.05Å; L589-F623 HydrophobicContact CD1-CE2 3.73Å; L589-F623 HydrophobicContact CG-CE2 4.38Å
590	L	87.1	Confident	84.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-46.8	170.1	-71.5	171.6	0	0	0	111.4	V183 A186 V187 V223 S586 V587 G588 A592 S593 V594	V183-L590 HydrophobicContact CB-CD1 4.37Å; V183-L590 HydrophobicContact CG1-CD1 3.87Å; V183-L590 HydrophobicContact CG1-CG 4.17Å; V183-L590 HydrophobicContact CG2-CD1 4.22Å; A186-L590 HydrophobicContact CB-CD1 4.36Å; A186-L590 HydrophobicContact CB-CD2 3.46Å; A186-L590 VanDerWaalsContact CB-CD2 3.46Å; V187-L590 HydrophobicContact CB-CD2 4.33Å; V187-L590 HydrophobicContact CG2-CD2 3.31Å; V187-L590 HydrophobicContact CG2-CG 4.1Å; V223-L590 HydrophobicContact CG1-CB 4.36Å; S586-L590 PolarHBondContact O-N 3.3Å; V587-L590 HydrophobicContact CB-CD1 4.5Å; V587-L590 HydrophobicContact CG1-CD1 4.33Å; V587-L590 HydrophobicContact CG2-CD1 4.44Å; V587-L590 VanDerWaalsContact O-CB 3.28Å; V587-L590 WeakPolarHBondContact O-CB 3.37Å; V587-L590 PolarHBondContact O-N 3.03Å; V587-L590 VanDerWaalsContact O-N 3.11Å; G588-L590 VanDerWaalsContact C-N 3.35Å; L590-A592 VanDerWaalsContact C-N 3.28Å; L590-A592 PolarHBondContact O-N 3.24Å; L590-S593 PolarHBondContact O-N 3.05Å; L590-S593 PolarHBondContact O-OG 2.83Å; L590-V594 WeakPolarHBondContact O-CG2 3.31Å; L590-V594 PolarHBondContact O-N 3.48Å
591	L	89.4	Confident	85.7	Confident	64 Å²	64	49.8 Å²	49.8	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-40.1	179.2	-173.9	67.4	0	0	0	111.4	T220 V223 V587 G588 F595	T220-L591 HydrophobicContact CG2-CD1 3.8Å; V223-L591 HydrophobicContact CG1-CB 4.14Å; V223-L591 HydrophobicContact CG1-CD1 4.44Å; V587-L591 PolarHBondContact O-N 3.03Å; G588-L591 PolarHBondContact O-N 3.18Å; L591-F595 PolarHBondContact O-N 3.49Å
592	A	89.2	Confident	86.6	Confident	47 Å²	47	46.1 Å²	46.1	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-40.3	176	0	0	0	0	0	112.3	G588 L589 L590 V594 F595 V596	G588-A592 PolarHBondContact O-N 3.35Å; L589-A592 PolarHBondContact O-N 3.4Å; L590-A592 VanDerWaalsContact C-N 3.28Å; L590-A592 PolarHBondContact O-N 3.24Å; A592-V594 PolarHBondContact O-N 2.99Å; A592-F595 PolarHBondContact O-N 3.45Å; A592-V596 VanDerWaalsContact O-CG2 3.28Å; A592-V596 WeakPolarHBondContact O-CG2 3.49Å; A592-V596 PolarHBondContact O-N 3.16Å
593	S	88.9	Confident	87.5	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-39.5	-178	76	0	0	0	0	112	L589 L590 V596 T597	L589-S593 WeakPolarHBondContact O-CB 3.48Å; L589-S593 PolarHBondContact O-N 3.02Å; L590-S593 PolarHBondContact O-N 3.05Å; L590-S593 PolarHBondContact O-OG 2.83Å; S593-V596 PolarHBondContact O-N 3.45Å; S593-T597 WeakPolarHBondContact O-CG2 3.5Å; S593-T597 PolarHBondContact O-N 3.2Å; S593-T597 PolarHBondContact O-OG1 3.32Å; S593-T597 VanDerWaalsContact O-OG1 3.1Å
594	V	90.1	Very high	88.3	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-50.4	173.2	179	0	0	0	0	111.6	I190 Y219 L590 A592 V596 T597 V598	I190-V594 HydrophobicContact CG1-CG2 4.48Å; Y219-V594 HydrophobicContact CD1-CB 4.39Å; Y219-V594 HydrophobicContact CD1-CG1 4.25Å; Y219-V594 HydrophobicContact CD1-CG2 3.21Å; Y219-V594 HydrophobicContact CE1-CB 4.39Å; Y219-V594 HydrophobicContact CE1-CG2 2.96Å; Y219-V594 HydrophobicContact CG-CG2 4.48Å; L590-V594 WeakPolarHBondContact O-CG2 3.31Å; L590-V594 PolarHBondContact O-N 3.48Å; A592-V594 PolarHBondContact O-N 2.99Å; V594-V596 PolarHBondContact O-N 3.44Å; V594-T597 PolarHBondContact O-N 2.93Å; V594-T597 PolarHBondContact O-OG1 3.26Å; V594-V598 HydrophobicContact CG1-CG2 3.98Å; V594-V598 WeakPolarHBondContact O-CB 3.45Å; V594-V598 WeakPolarHBondContact O-CG2 3.41Å; V594-V598 PolarHBondContact O-N 3.01Å
595	F	91	Very high	88.7	Confident	146 Å²	146	57.1 Å²	57.1	64%	0.64	30%	0.296	S	S	*	.	H	α-helix	trans	-59	-43.8	-178.5	-179.8	-96.4	0	0	0	110.5	L591 A592 F599	L591-F595 PolarHBondContact O-N 3.49Å; A592-F595 PolarHBondContact O-N 3.45Å; F595-F599 WeakPolarHBondContact O-CB 3.34Å; F595-F599 PolarHBondContact O-N 3.3Å
596	V	90.8	Very high	89.2	Confident	62 Å²	62	53.2 Å²	53.2	38%	0.376	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-42	179.1	173.9	0	0	0	0	112.1	A592 S593 V594 G600 L619	A592-V596 VanDerWaalsContact O-CG2 3.28Å; A592-V596 WeakPolarHBondContact O-CG2 3.49Å; A592-V596 PolarHBondContact O-N 3.16Å; S593-V596 PolarHBondContact O-N 3.45Å; V594-V596 PolarHBondContact O-N 3.44Å; V596-G600 PolarHBondContact O-N 3.43Å; V596-L619 HydrophobicContact CG1-CD1 3.45Å; V596-L619 VanDerWaalsContact CG1-CD1 3.45Å
597	T	89.7	Confident	89.6	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-70	-45	178.6	51.3	0	0	0	0	112.7	I190 L191 S593 V594 F599 G600 V601	I190-T597 HydrophobicContact CG2-CG2 3.38Å; I190-T597 VanDerWaalsContact CG2-OG1 3.23Å; I190-T597 WeakPolarHBondContact CG2-OG1 3.44Å; L191-T597 HydrophobicContact CD2-CG2 3.4Å; L191-T597 HydrophobicContact CG-CG2 4.42Å; S593-T597 WeakPolarHBondContact O-CG2 3.5Å; S593-T597 PolarHBondContact O-N 3.2Å; S593-T597 PolarHBondContact O-OG1 3.32Å; S593-T597 VanDerWaalsContact O-OG1 3.1Å; V594-T597 PolarHBondContact O-N 2.93Å; V594-T597 PolarHBondContact O-OG1 3.26Å; T597-F599 VanDerWaalsContact C-N 3.32Å; T597-F599 PolarHBondContact O-N 2.87Å; T597-G600 PolarHBondContact O-N 2.81Å; T597-V601 VanDerWaalsContact O-CG2 3.25Å; T597-V601 WeakPolarHBondContact O-CG2 3.5Å; T597-V601 PolarHBondContact O-N 3.16Å
598	V	91.1	Very high	89.8	Confident	34 Å²	34	57.2 Å²	57.2	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-45.9	176	174.1	0	0	0	0	110.3	L212 S216 V594 V601 H602	L212-V598 HydrophobicContact CD2-CB 4.08Å; L212-V598 HydrophobicContact CD2-CG1 3.72Å; L212-V598 HydrophobicContact CD2-CG2 3.72Å; S216-V598 VanDerWaalsContact OG-CG2 3.24Å; S216-V598 WeakPolarHBondContact OG-CG2 3.44Å; V594-V598 HydrophobicContact CG1-CG2 3.98Å; V594-V598 WeakPolarHBondContact O-CB 3.45Å; V594-V598 WeakPolarHBondContact O-CG2 3.41Å; V594-V598 PolarHBondContact O-N 3.01Å; V598-V601 PolarHBondContact O-N 3.43Å; V598-H602 WeakPolarHBondContact O-CB 3.42Å; V598-H602 PolarHBondContact O-N 3.31Å
599	F	91.4	Very high	90.2	Very high	104 Å²	104	56.9 Å²	56.9	46%	0.456	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-41.4	177	-173.7	-111.2	0	0	0	111.8	F595 T597 H602 L603	F595-F599 WeakPolarHBondContact O-CB 3.34Å; F595-F599 PolarHBondContact O-N 3.3Å; T597-F599 VanDerWaalsContact C-N 3.32Å; T597-F599 PolarHBondContact O-N 2.87Å; F599-H602 WeakPolarHBondContact O-CB 3.49Å; F599-H602 PolarHBondContact O-N 3.23Å; F599-L603 HydrophobicContact CD1-CD1 3.87Å; F599-L603 HydrophobicContact CD1-CG 4.29Å; F599-L603 HydrophobicContact CE1-CD1 3.45Å; F599-L603 VanDerWaalsContact CE1-CD1 3.45Å; F599-L603 HydrophobicContact CE1-CD2 4.4Å; F599-L603 HydrophobicContact CE1-CG 3.99Å; F599-L603 HydrophobicContact CE2-CD2 4.39Å; F599-L603 HydrophobicContact CE2-CG 4.43Å; F599-L603 HydrophobicContact CZ-CD1 3.93Å; F599-L603 HydrophobicContact CZ-CD2 4.02Å; F599-L603 HydrophobicContact CZ-CG 4.06Å; F599-L603 WeakPolarHBondContact O-CG 3.3Å; F599-L603 PolarHBondContact O-N 2.92Å
600	G	91.6	Very high	90.6	Very high	19 Å²	19	59.7 Å²	59.7	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-46	175	0	0	0	0	0	112.8	V596 T597 H602 L603 N604	V596-G600 PolarHBondContact O-N 3.43Å; T597-G600 PolarHBondContact O-N 2.81Å; G600-H602 VanDerWaalsContact C-N 3.33Å; G600-H602 PolarHBondContact O-N 3.44Å; G600-L603 PolarHBondContact O-N 2.68Å; G600-N604 WeakPolarHBondContact O-CB 3.48Å; G600-N604 PolarHBondContact O-N 3.06Å
601	V	91.3	Very high	90.9	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.018	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-39.3	175.6	176.6	0	0	0	0	111.1	L207 L212 T597 V598 N604 K605 W606 L612	L207-V601 HydrophobicContact CD1-CG1 3.92Å; L212-V601 HydrophobicContact CD1-CB 3.97Å; L212-V601 HydrophobicContact CD1-CG1 3.6Å; L212-V601 HydrophobicContact CD1-CG2 4.04Å; T597-V601 VanDerWaalsContact O-CG2 3.25Å; T597-V601 WeakPolarHBondContact O-CG2 3.5Å; T597-V601 PolarHBondContact O-N 3.16Å; V598-V601 PolarHBondContact O-N 3.43Å; V601-N604 CarbonylContact O-C 3.56Å; V601-N604 PolarHBondContact O-N 2.97Å; V601-K605 PolarHBondContact O-N 3.12Å; V601-W606 HydrophobicContact CG1-CE3 3.95Å; V601-W606 HydrophobicContact CG1-CZ3 4.43Å; V601-W606 PolarHBondContact O-N 3.45Å; V601-L612 HydrophobicContact CB-CD2 4.38Å; V601-L612 HydrophobicContact CG2-CD2 3.77Å
602	H	91.1	Very high	91	Very high	102 Å²	102	65.6 Å²	65.6	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-47.2	176.6	-177.5	70.8	0	0	0	112	V598 F599 G600 N604 K605 W606	V598-H602 WeakPolarHBondContact O-CB 3.42Å; V598-H602 PolarHBondContact O-N 3.31Å; F599-H602 WeakPolarHBondContact O-CB 3.49Å; F599-H602 PolarHBondContact O-N 3.23Å; G600-H602 VanDerWaalsContact C-N 3.33Å; G600-H602 PolarHBondContact O-N 3.44Å; H602-N604 PolarHBondContact O-N 3.29Å; H602-K605 PolarHBondContact O-N 3.42Å; H602-W606 HydrophobicContact CB-CZ2 4.47Å; H602-W606 AromaticContact ND1-CE2 3.74Å; H602-W606 AromaticContact ND1-CZ2 3.41Å; H602-W606 WeakPolarHBondContact ND1-CZ2 3.35Å; H602-W606 AromaticContact ND1-NE1 3.8Å
603	L	91.2	Very high	91.3	Very high	115 Å²	115	63.3 Å²	63.3	60%	0.602	30%	0.302	S	S	*	.	H	α-helix	trans	-60.6	-33.5	174.8	-70.8	-178.4	0	0	0	111.9	F599 G600 K605	F599-L603 HydrophobicContact CD1-CD1 3.87Å; F599-L603 HydrophobicContact CD1-CG 4.29Å; F599-L603 HydrophobicContact CE1-CD1 3.45Å; F599-L603 VanDerWaalsContact CE1-CD1 3.45Å; F599-L603 HydrophobicContact CE1-CD2 4.4Å; F599-L603 HydrophobicContact CE1-CG 3.99Å; F599-L603 HydrophobicContact CE2-CD2 4.39Å; F599-L603 HydrophobicContact CE2-CG 4.43Å; F599-L603 HydrophobicContact CZ-CD1 3.93Å; F599-L603 HydrophobicContact CZ-CD2 4.02Å; F599-L603 HydrophobicContact CZ-CG 4.06Å; F599-L603 WeakPolarHBondContact O-CG 3.3Å; F599-L603 PolarHBondContact O-N 2.92Å; G600-L603 PolarHBondContact O-N 2.68Å; L603-K605 PolarHBondContact O-N 3.48Å
604	N	91.5	Very high	91.5	Very high	45 Å²	45	66.6 Å²	66.6	24%	0.241	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	19.9	175.8	-150.9	38.1	0	0	0	114.2	G600 V601 H602 W606 Q607 D609 L612	G600-N604 WeakPolarHBondContact O-CB 3.48Å; G600-N604 PolarHBondContact O-N 3.06Å; V601-N604 CarbonylContact O-C 3.56Å; V601-N604 PolarHBondContact O-N 2.97Å; H602-N604 PolarHBondContact O-N 3.29Å; N604-W606 PolarHBondContact O-N 2.87Å; N604-Q607 PolarHBondContact ND2-O 3.19Å; N604-Q607 PolarHBondContact O-N 3.43Å; N604-D609 PolarHBondContact ND2-OD1 2.92Å; N604-L612 HydrophobicContact CB-CD2 4.22Å
605	K	90.2	Very high	91.7	Very high	171 Å²	171	68 Å²	68	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.4	175.7	-55.9	179.8	179.4	178.4	0	113.5	V601 H602 L603 Q607	V601-K605 PolarHBondContact O-N 3.12Å; H602-K605 PolarHBondContact O-N 3.42Å; L603-K605 PolarHBondContact O-N 3.48Å; K605-Q607 VanDerWaalsContact C-N 3.29Å; K605-Q607 PolarHBondContact O-N 2.91Å
606	W	90.9	Very high	91.8	Very high	59 Å²	59	61.2 Å²	61.2	22%	0.223	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	35.1	178.5	-49.3	97.2	0	0	0	113.8	L207 S209 L212 V601 H602 N604	L207-W606 PolarHBondContact N-O 3.08Å; L207-W606 WeakPolarHBondContact O-CB 3.39Å; S209-W606 WeakPolarHBondContact OG-CH2 3.08Å; S209-W606 WeakPolarHBondContact OG-CZ2 3.24Å; L212-W606 HydrophobicContact CB-CZ3 4.07Å; L212-W606 HydrophobicContact CD1-CE3 4.44Å; L212-W606 HydrophobicContact CD1-CZ3 4.08Å; L212-W606 HydrophobicContact CD2-CZ3 4Å; L212-W606 HydrophobicContact CG-CZ3 4.29Å; V601-W606 HydrophobicContact CG1-CE3 3.95Å; V601-W606 HydrophobicContact CG1-CZ3 4.43Å; V601-W606 PolarHBondContact O-N 3.45Å; H602-W606 HydrophobicContact CB-CZ2 4.47Å; H602-W606 AromaticContact ND1-CE2 3.74Å; H602-W606 AromaticContact ND1-CZ2 3.41Å; H602-W606 WeakPolarHBondContact ND1-CZ2 3.35Å; H602-W606 AromaticContact ND1-NE1 3.8Å; N604-W606 PolarHBondContact O-N 2.87Å
607	Q	90.7	Very high	91.9	Very high	96 Å²	96	60.4 Å²	60.4	45%	0.449	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.9	171.6	-64.1	-174.2	-1.9	0	0	109.6	V204 N604 K605	V204-Q607 HydrophobicContact CG1-CB 4.09Å; N604-Q607 PolarHBondContact ND2-O 3.19Å; N604-Q607 PolarHBondContact O-N 3.43Å; K605-Q607 VanDerWaalsContact C-N 3.29Å; K605-Q607 PolarHBondContact O-N 2.91Å
608	L	89.6	Confident	92.1	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	98.6	171.3	-172.3	61.9	0	0	0	108	I194 C197 V205 L207 L612	I194-L608 HydrophobicContact CG2-CD1 3.78Å; C197-L608 HydrophobicContact CB-CD2 3.9Å; V205-L608 PolarHBondContact N-O 3.02Å; V205-L608 PolarHBondContact O-N 2.9Å; L207-L608 HydrophobicContact CD1-CB 4.12Å; L207-L608 HydrophobicContact CG-CB 4.38Å; L608-L612 HydrophobicContact CD1-CD2 3.98Å
609	D	92.5	Very high	92.2	Very high	29 Å²	29	68.4 Å²	68.4	16%	0.155	34%	0.338	C	S	.	.			trans	-112.6	170.6	178.1	80.5	-29.3	0	0	0	111.5	V204 N604 K611 L612 G613	V204-D609 HydrophobicContact CG1-CB 4.45Å; V204-D609 HydrophobicContact CG2-CB 4.44Å; N604-D609 PolarHBondContact ND2-OD1 2.92Å; D609-K611 PolarHBondContact O-N 3.45Å; D609-K611 PolarHBondContact OD1-N 3.3Å; D609-K611 WeakPolarHBondContact OD2-CB 3.12Å; D609-K611 WeakPolarHBondContact OD2-CG 3.44Å; D609-L612 PolarHBondContact O-N 3.12Å; D609-L612 VanDerWaalsContact OD1-CB 3.24Å; D609-L612 WeakPolarHBondContact OD1-CB 3.32Å; D609-L612 PolarHBondContact OD1-N 2.84Å; D609-G613 PolarHBondContact O-N 2.88Å
610	K	93.6	Very high	92.2	Very high	130 Å²	130	65 Å²	65	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-28.6	179.6	-64.2	-176.9	179.3	-179.4	0	112.9	G198 L199 C614	G198-K610 WeakPolarHBondContact O-CA 3.3Å; G198-K610 WeakPolarHBondContact O-CG 3.38Å; G198-K610 PolarHBondContact O-N 3.47Å; L199-K610 HydrophobicContact CD1-CB 4.46Å; K610-C614 WeakPolarHBondContact O-CB 3.4Å; K610-C614 PolarHBondContact O-N 3.08Å
611	K	93	Very high	92.2	Very high	168 Å²	168	65.4 Å²	65.4	73%	0.73	33%	0.327	S	S	*	.	H	α-helix	trans	-70.1	-49.9	179.7	-62.3	179.6	-178.9	176	0	110.8	D609 G613 C614 G615	D609-K611 PolarHBondContact O-N 3.45Å; D609-K611 PolarHBondContact OD1-N 3.3Å; D609-K611 WeakPolarHBondContact OD2-CB 3.12Å; D609-K611 WeakPolarHBondContact OD2-CG 3.44Å; K611-G613 VanDerWaalsContact C-N 3.28Å; K611-G613 PolarHBondContact O-N 3.18Å; K611-C614 PolarHBondContact O-N 3.08Å; K611-G615 PolarHBondContact O-N 3.06Å
612	L	92.6	Very high	92.1	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-43.6	173.6	-178	65.8	0	0	0	110.4	V601 N604 L608 D609 C614 G615 C616	V601-L612 HydrophobicContact CB-CD2 4.38Å; V601-L612 HydrophobicContact CG2-CD2 3.77Å; N604-L612 HydrophobicContact CB-CD2 4.22Å; L608-L612 HydrophobicContact CD1-CD2 3.98Å; D609-L612 PolarHBondContact O-N 3.12Å; D609-L612 VanDerWaalsContact OD1-CB 3.24Å; D609-L612 WeakPolarHBondContact OD1-CB 3.32Å; D609-L612 PolarHBondContact OD1-N 2.84Å; L612-C614 PolarHBondContact O-N 3.47Å; L612-G615 PolarHBondContact O-N 3.07Å; L612-G615 VanDerWaalsContact O-N 3.13Å; L612-C616 PolarHBondContact O-N 3.43Å; L612-C616 PolarHBondContact O-SG 3.45Å; L612-C616 VanDerWaalsContact O-SG 3.39Å
613	G	93.8	Very high	91.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-46.8	177	0	0	0	0	0	113.3	G195 D609 K611 C616 L617	G195-G613 WeakPolarHBondContact CA-O 3.44Å; G195-G613 WeakPolarHBondContact O-CA 3.45Å; D609-G613 PolarHBondContact O-N 2.88Å; K611-G613 VanDerWaalsContact C-N 3.28Å; K611-G613 PolarHBondContact O-N 3.18Å; G613-C616 PolarHBondContact O-N 3.47Å; G613-L617 PolarHBondContact O-N 3.15Å; G613-L617 VanDerWaalsContact O-N 3.1Å
614	C	94.7	Very high	91.8	Very high	78 Å²	78	60.5 Å²	60.5	53%	0.527	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-39.4	174.9	-175.3	0	0	0	0	112.4	K610 K611 L612 L617 F618	K610-C614 WeakPolarHBondContact O-CB 3.4Å; K610-C614 PolarHBondContact O-N 3.08Å; K611-C614 PolarHBondContact O-N 3.08Å; L612-C614 PolarHBondContact O-N 3.47Å; C614-L617 PolarHBondContact O-N 2.87Å; C614-F618 WeakPolarHBondContact O-CB 3.09Å; C614-F618 PolarHBondContact O-N 3.44Å
615	G	92.9	Very high	91.7	Very high	34 Å²	34	62 Å²	62	35%	0.351	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-43.5	174.6	0	0	0	0	0	113.1	K611 L612 F618 L619	K611-G615 PolarHBondContact O-N 3.06Å; L612-G615 PolarHBondContact O-N 3.07Å; L612-G615 VanDerWaalsContact O-N 3.13Å; G615-F618 PolarHBondContact O-N 3.36Å; G615-L619 WeakPolarHBondContact O-CG 3.29Å; G615-L619 PolarHBondContact O-N 3.05Å
616	C	93.4	Very high	91.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-43.1	176.4	-69.8	0	0	0	0	112.3	L191 L612 G613 F618 L619 Y620	L191-C616 WeakPolarHBondContact O-CB 3.43Å; L612-C616 PolarHBondContact O-N 3.43Å; L612-C616 PolarHBondContact O-SG 3.45Å; L612-C616 VanDerWaalsContact O-SG 3.39Å; G613-C616 PolarHBondContact O-N 3.47Å; C616-F618 VanDerWaalsContact C-N 3.35Å; C616-F618 PolarHBondContact O-N 3.14Å; C616-L619 PolarHBondContact O-N 3.47Å; C616-Y620 PolarHBondContact O-N 2.68Å
617	L	93.7	Very high	91	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-38.1	175.6	-71.3	173.5	0	0	0	112.4	V196 L199 G613 C614 Y620 G621	V196-L617 HydrophobicContact CG2-CD2 4.34Å; L199-L617 HydrophobicContact CD2-CD1 4.02Å; G613-L617 PolarHBondContact O-N 3.15Å; G613-L617 VanDerWaalsContact O-N 3.1Å; C614-L617 PolarHBondContact O-N 2.87Å; L617-Y620 WeakPolarHBondContact O-CB 3.47Å; L617-Y620 PolarHBondContact O-N 3.4Å; L617-G621 PolarHBondContact O-N 3.4Å
618	F	94	Very high	90.8	Very high	145 Å²	145	54.6 Å²	54.6	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-46.3	174.1	175.4	-98.9	0	0	0	111.5	C614 G615 C616 Y620 G621 V622	C614-F618 WeakPolarHBondContact O-CB 3.09Å; C614-F618 PolarHBondContact O-N 3.44Å; G615-F618 PolarHBondContact O-N 3.36Å; C616-F618 VanDerWaalsContact C-N 3.35Å; C616-F618 PolarHBondContact O-N 3.14Å; F618-Y620 VanDerWaalsContact C-N 3.3Å; F618-Y620 PolarHBondContact O-N 3.13Å; F618-G621 PolarHBondContact O-N 3.11Å; F618-G621 VanDerWaalsContact O-N 3.13Å; F618-V622 HydrophobicContact CD1-CG2 4.28Å; F618-V622 HydrophobicContact CE1-CG2 3.8Å; F618-V622 HydrophobicContact CE2-CG2 4.39Å; F618-V622 HydrophobicContact CZ-CG2 3.86Å; F618-V622 WeakPolarHBondContact O-CG2 3.07Å; F618-V622 PolarHBondContact O-N 3.33Å
619	L	91.7	Very high	90.5	Very high	66 Å²	66	58 Å²	58	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-37.5	176.2	-73.4	171.3	0	0	0	112.5	L191 V596 G615 C616 V622 F623	L191-L619 HydrophobicContact CD2-CB 4.2Å; V596-L619 HydrophobicContact CG1-CD1 3.45Å; V596-L619 VanDerWaalsContact CG1-CD1 3.45Å; G615-L619 WeakPolarHBondContact O-CG 3.29Å; G615-L619 PolarHBondContact O-N 3.05Å; C616-L619 PolarHBondContact O-N 3.47Å; L619-V622 PolarHBondContact O-N 3.23Å; L619-F623 WeakPolarHBondContact O-CB 3.39Å; L619-F623 PolarHBondContact O-N 3.09Å
620	Y	91.6	Very high	89.9	Confident	31 Å²	31	58 Å²	58	12%	0.122	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-44.9	171.9	177.1	-108	0	0	0	111.5	V187 F188 L191 C192 C616 L617 F618 V622 F623 L624	V187-Y620 HydrophobicContact CG1-CD2 4.44Å; F188-Y620 HydrophobicContact CB-CE2 4.24Å; F188-Y620 HydrophobicContact CD2-CE1 4.28Å; F188-Y620 AromaticContact CD2-CE2 3.96Å; F188-Y620 HydrophobicContact CD2-CE2 3.96Å; F188-Y620 AromaticContact CD2-CZ 3.66Å; F188-Y620 WeakPolarHBondContact CD2-OH 3.26Å; L191-Y620 HydrophobicContact CB-CD2 4.35Å; C192-Y620 HydrophobicContact CB-CD1 4.42Å; C192-Y620 HydrophobicContact CB-CD2 4.46Å; C192-Y620 HydrophobicContact CB-CG 4.31Å; C616-Y620 PolarHBondContact O-N 2.68Å; L617-Y620 WeakPolarHBondContact O-CB 3.47Å; L617-Y620 PolarHBondContact O-N 3.4Å; F618-Y620 VanDerWaalsContact C-N 3.3Å; F618-Y620 PolarHBondContact O-N 3.13Å; Y620-V622 VanDerWaalsContact C-N 3.34Å; Y620-V622 PolarHBondContact O-N 3.29Å; Y620-F623 PolarHBondContact O-N 2.79Å; Y620-L624 HydrophobicContact CE1-CD2 4.41Å; Y620-L624 VanDerWaalsContact O-CB 3.3Å; Y620-L624 WeakPolarHBondContact O-CB 3.31Å; Y620-L624 PolarHBondContact O-N 3.43Å
621	G	91.7	Very high	89.1	Confident	28 Å²	28	52.7 Å²	52.7	29%	0.289	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-41.6	174.9	0	0	0	0	0	113	L617 F618 L624 C625	L617-G621 PolarHBondContact O-N 3.4Å; F618-G621 PolarHBondContact O-N 3.11Å; F618-G621 VanDerWaalsContact O-N 3.13Å; G621-L624 PolarHBondContact O-N 3.44Å; G621-C625 PolarHBondContact O-N 3.39Å; G621-C625 PolarHBondContact O-SG 3.32Å
622	V	90.3	Very high	88.6	Confident	52 Å²	52	50.1 Å²	50.1	32%	0.315	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-48.1	174.8	173	0	0	0	0	111	F618 L619 Y620 L624 C625 F626	F618-V622 HydrophobicContact CD1-CG2 4.28Å; F618-V622 HydrophobicContact CE1-CG2 3.8Å; F618-V622 HydrophobicContact CE2-CG2 4.39Å; F618-V622 HydrophobicContact CZ-CG2 3.86Å; F618-V622 WeakPolarHBondContact O-CG2 3.07Å; F618-V622 PolarHBondContact O-N 3.33Å; L619-V622 PolarHBondContact O-N 3.23Å; Y620-V622 VanDerWaalsContact C-N 3.34Å; Y620-V622 PolarHBondContact O-N 3.29Å; V622-L624 VanDerWaalsContact C-N 3.34Å; V622-L624 PolarHBondContact O-N 3.17Å; V622-C625 PolarHBondContact O-N 3.09Å; V622-F626 HydrophobicContact CG1-CD2 3.74Å; V622-F626 HydrophobicContact CG1-CE2 3.61Å; V622-F626 VanDerWaalsContact O-CD2 3.24Å; V622-F626 WeakPolarHBondContact O-CD2 3.48Å; V622-F626 PolarHBondContact O-N 2.03Å
623	F	87	Confident	87.9	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.096	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-48.3	175.7	168.1	-94.7	0	0	0	111.3	V187 L589 L619 Y620 C625 F626 S627	V187-F623 HydrophobicContact CB-CD1 4.18Å; V187-F623 HydrophobicContact CB-CE1 3.76Å; V187-F623 HydrophobicContact CB-CZ 3.95Å; V187-F623 HydrophobicContact CG1-CD1 3.45Å; V187-F623 VanDerWaalsContact CG1-CD1 3.45Å; V187-F623 HydrophobicContact CG1-CD2 4.1Å; V187-F623 HydrophobicContact CG1-CE1 3.56Å; V187-F623 HydrophobicContact CG1-CE2 4.19Å; V187-F623 HydrophobicContact CG1-CG 3.74Å; V187-F623 HydrophobicContact CG1-CZ 3.95Å; V187-F623 HydrophobicContact CG2-CE1 3.88Å; V187-F623 HydrophobicContact CG2-CE2 3.85Å; V187-F623 HydrophobicContact CG2-CZ 3.51Å; L589-F623 HydrophobicContact CB-CD2 4.22Å; L589-F623 HydrophobicContact CB-CE2 3.79Å; L589-F623 HydrophobicContact CD1-CD2 4.05Å; L589-F623 HydrophobicContact CD1-CE2 3.73Å; L589-F623 HydrophobicContact CG-CE2 4.38Å; L619-F623 WeakPolarHBondContact O-CB 3.39Å; L619-F623 PolarHBondContact O-N 3.09Å; Y620-F623 PolarHBondContact O-N 2.79Å; F623-C625 VanDerWaalsContact C-N 3.31Å; F623-C625 PolarHBondContact O-N 3.35Å; F623-F626 PolarHBondContact O-N 2.72Å; F623-F626 VanDerWaalsContact O-N 3.09Å; F623-S627 WeakPolarHBondContact CE1-OG 3.04Å; F623-S627 WeakPolarHBondContact CE2-OG 3.15Å; F623-S627 WeakPolarHBondContact CZ-OG 3.29Å; F623-S627 PolarHBondContact O-N 3.16Å; F623-S627 PolarHBondContact O-OG 2.97Å; F623-S627 VanDerWaalsContact O-OG 3.13Å
624	L	88.1	Confident	87	Confident	44 Å²	44	55.7 Å²	55.7	23%	0.23	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-45.1	179.7	-177	65.4	0	0	0	111.2	T517 Y620 G621 V622 S627 I628	T517-L624 HydrophobicContact CG2-CD1 3.25Å; Y620-L624 HydrophobicContact CE1-CD2 4.41Å; Y620-L624 VanDerWaalsContact O-CB 3.3Å; Y620-L624 WeakPolarHBondContact O-CB 3.31Å; Y620-L624 PolarHBondContact O-N 3.43Å; G621-L624 PolarHBondContact O-N 3.44Å; V622-L624 VanDerWaalsContact C-N 3.34Å; V622-L624 PolarHBondContact O-N 3.17Å; L624-S627 PolarHBondContact O-N 3.34Å; L624-I628 HydrophobicContact CD1-CD1 4.02Å; L624-I628 HydrophobicContact CD1-CG1 4.41Å; L624-I628 HydrophobicContact CG-CD1 3.84Å; L624-I628 WeakPolarHBondContact O-CB 3.4Å; L624-I628 WeakPolarHBondContact O-CG1 3.3Å; L624-I628 PolarHBondContact O-N 3.29Å
625	C	88.6	Confident	85.9	Confident	76 Å²	76	57.6 Å²	57.6	51%	0.514	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-45.8	174.6	-70.1	0	0	0	0	112.2	G621 V622 F623 I628 M629	G621-C625 PolarHBondContact O-N 3.39Å; G621-C625 PolarHBondContact O-SG 3.32Å; V622-C625 PolarHBondContact O-N 3.09Å; F623-C625 VanDerWaalsContact C-N 3.31Å; F623-C625 PolarHBondContact O-N 3.35Å; C625-I628 PolarHBondContact O-N 2.95Å; C625-M629 WeakPolarHBondContact O-CB 3.42Å; C625-M629 VanDerWaalsContact O-CG 3.24Å; C625-M629 WeakPolarHBondContact O-CG 3.36Å; C625-M629 PolarHBondContact O-N 3.06Å
626	F	85.7	Confident	84.8	Confident	111 Å²	111	59.1 Å²	59.1	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-42	177.8	-84.4	-68.5	0	0	0	112.8	V622 F623 M629 T630	V622-F626 HydrophobicContact CG1-CD2 3.74Å; V622-F626 HydrophobicContact CG1-CE2 3.61Å; V622-F626 VanDerWaalsContact O-CD2 3.24Å; V622-F626 WeakPolarHBondContact O-CD2 3.48Å; V622-F626 PolarHBondContact O-N 2.03Å; F623-F626 PolarHBondContact O-N 2.72Å; F623-F626 VanDerWaalsContact O-N 3.09Å; F626-M629 PolarHBondContact O-N 2.81Å; F626-T630 WeakPolarHBondContact O-CB 3.44Å; F626-T630 PolarHBondContact O-N 3.04Å; F626-T630 PolarHBondContact O-OG1 3.32Å
627	S	82.6	Confident	83.8	Confident	7 Å²	7	65.5 Å²	65.5	5%	0.049	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-50.1	176.3	-62.2	0	0	0	0	110.4	F623 L624 M629 T630 E631	F623-S627 WeakPolarHBondContact CE1-OG 3.04Å; F623-S627 WeakPolarHBondContact CE2-OG 3.15Å; F623-S627 WeakPolarHBondContact CZ-OG 3.29Å; F623-S627 PolarHBondContact O-N 3.16Å; F623-S627 PolarHBondContact O-OG 2.97Å; F623-S627 VanDerWaalsContact O-OG 3.13Å; L624-S627 PolarHBondContact O-N 3.34Å; S627-M629 PolarHBondContact O-N 3.03Å; S627-T630 PolarHBondContact O-N 3.24Å; S627-E631 WeakPolarHBondContact O-CB 3.42Å; S627-E631 VanDerWaalsContact O-CG 3.24Å; S627-E631 WeakPolarHBondContact O-CG 3.43Å; S627-E631 PolarHBondContact O-N 3.5Å
628	I	84.6	Confident	82.6	Confident	52 Å²	52	63.9 Å²	63.9	27%	0.267	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-44.5	177.5	-69.5	169.3	0	0	0	111.5	I513 T517 L624 C625 T630 E631 F632	I513-I628 HydrophobicContact CG2-CG1 4.19Å; T517-I628 HydrophobicContact CG2-CG1 4.35Å; L624-I628 HydrophobicContact CD1-CD1 4.02Å; L624-I628 HydrophobicContact CD1-CG1 4.41Å; L624-I628 HydrophobicContact CG-CD1 3.84Å; L624-I628 WeakPolarHBondContact O-CB 3.4Å; L624-I628 WeakPolarHBondContact O-CG1 3.3Å; L624-I628 PolarHBondContact O-N 3.29Å; C625-I628 PolarHBondContact O-N 2.95Å; I628-T630 PolarHBondContact O-N 3.18Å; I628-E631 PolarHBondContact O-N 3.13Å; I628-F632 HydrophobicContact CG2-CD2 3.52Å; I628-F632 HydrophobicContact CG2-CE2 3.59Å; I628-F632 VanDerWaalsContact O-CD2 3.31Å; I628-F632 WeakPolarHBondContact O-CD2 3.39Å; I628-F632 PolarHBondContact O-N 3.31Å
629	M	84.9	Confident	81.4	Confident	74 Å²	74	58.3 Å²	58.3	37%	0.365	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-36.6	178.2	-71.6	179.4	78.6	0	0	112.9	C625 F626 S627 V634 F635	C625-M629 WeakPolarHBondContact O-CB 3.42Å; C625-M629 VanDerWaalsContact O-CG 3.24Å; C625-M629 WeakPolarHBondContact O-CG 3.36Å; C625-M629 PolarHBondContact O-N 3.06Å; F626-M629 PolarHBondContact O-N 2.81Å; S627-M629 PolarHBondContact O-N 3.03Å; M629-V634 HydrophobicContact CE-CG1 4.17Å; M629-V634 VanDerWaalsContact O-CB 3.27Å; M629-V634 WeakPolarHBondContact O-CB 3.36Å; M629-V634 WeakPolarHBondContact O-CG2 3.17Å; M629-V634 PolarHBondContact O-N 3.47Å; M629-V634 VanDerWaalsContact O-N 3.12Å; M629-F635 HydrophobicContact CB-CD2 4.11Å; M629-F635 HydrophobicContact CB-CE2 3.58Å; M629-F635 HydrophobicContact CB-CZ 4.5Å; M629-F635 HydrophobicContact CE-CE1 4.47Å; M629-F635 HydrophobicContact CE-CE2 3.83Å; M629-F635 HydrophobicContact CE-CZ 3.56Å; M629-F635 HydrophobicContact CG-CE2 4.45Å; M629-F635 HydrophobicContact SD-CE2 4.15Å; M629-F635 HydrophobicContact SD-CZ 4.24Å
630	T	79.8	Confident	80.4	Confident	30 Å²	30	58.8 Å²	58.8	18%	0.184	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-41.9	176.6	-56.7	0	0	0	0	110.6	F626 S627 I628 N633 V638	F626-T630 WeakPolarHBondContact O-CB 3.44Å; F626-T630 PolarHBondContact O-N 3.04Å; F626-T630 PolarHBondContact O-OG1 3.32Å; S627-T630 PolarHBondContact O-N 3.24Å; I628-T630 PolarHBondContact O-N 3.18Å; T630-N633 PolarHBondContact O-N 3.27Å; T630-V638 HydrophobicContact CG2-CG2 4.24Å
631	E	77.2	Confident	79.4	Confident	18 Å²	18	61.4 Å²	61.4	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-72.1	-35.3	-179	-71.2	-58.1	148.8	0	0	113.7	V512 I513 I516 S627 I628 N633 N639	V512-E631 HydrophobicContact CG1-CG 4.41Å; V512-E631 WeakPolarHBondContact CG1-OE2 3.28Å; I513-E631 HydrophobicContact CD1-CB 4.27Å; I513-E631 HydrophobicContact CG1-CB 3.8Å; I513-E631 HydrophobicContact CG1-CG 4.49Å; I516-E631 HydrophobicContact CD1-CG 4.25Å; S627-E631 WeakPolarHBondContact O-CB 3.42Å; S627-E631 VanDerWaalsContact O-CG 3.24Å; S627-E631 WeakPolarHBondContact O-CG 3.43Å; S627-E631 PolarHBondContact O-N 3.5Å; I628-E631 PolarHBondContact O-N 3.13Å; E631-N633 PolarHBondContact O-N 3.19Å; E631-N639 PolarHBondContact OE2-ND2 3.41Å
632	F	81.2	Confident	78.2	Confident	113 Å²	113	62.8 Å²	62.8	50%	0.496	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	10.9	169.8	-83.4	-62.3	0	0	0	113.8	P510 I513 I628 V634	P510-F632 HydrophobicContact CG-CE1 3.83Å; P510-F632 HydrophobicContact CG-CZ 4.19Å; I513-F632 HydrophobicContact CD1-CD1 4.26Å; I513-F632 HydrophobicContact CD1-CD2 3.64Å; I513-F632 HydrophobicContact CD1-CE1 3.96Å; I513-F632 HydrophobicContact CD1-CE2 3.3Å; I513-F632 HydrophobicContact CD1-CG 4.11Å; I513-F632 HydrophobicContact CD1-CZ 3.47Å; I513-F632 VanDerWaalsContact CD1-CZ 3.47Å; I628-F632 HydrophobicContact CG2-CD2 3.52Å; I628-F632 HydrophobicContact CG2-CE2 3.59Å; I628-F632 VanDerWaalsContact O-CD2 3.31Å; I628-F632 WeakPolarHBondContact O-CD2 3.39Å; I628-F632 PolarHBondContact O-N 3.31Å; F632-V634 HydrophobicContact CB-CG2 4.02Å; F632-V634 PolarHBondContact O-N 3Å; F632-V634 VanDerWaalsContact O-N 3.16Å
633	N	77.3	Confident	77.2	Confident	50 Å²	50	61.4 Å²	61.4	27%	0.267	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	25.4	-179.4	-59.1	-47.6	0	0	0	114	T630 E631 F635 T636 F637 V638 N639	T630-N633 PolarHBondContact O-N 3.27Å; E631-N633 PolarHBondContact O-N 3.19Å; N633-F635 VanDerWaalsContact C-N 3.34Å; N633-T636 VanDerWaalsContact CA-O 3.29Å; N633-T636 WeakPolarHBondContact CA-O 3.05Å; N633-T636 PolarHBondContact OD1-O 2.67Å; N633-F637 HydrophobicContact CB-CD2 4.42Å; N633-V638 PolarHBondContact OD1-N 2.74Å; N633-N639 PolarHBondContact ND2-O 3.28Å; N633-N639 PolarHBondContact OD1-N 2.92Å; N633-N639 VanDerWaalsContact OD1-N 3.1Å
634	V	76.9	Confident	76.1	Confident	89 Å²	89	63.8 Å²	63.8	54%	0.539	35%	0.35	S	S	.	.	S	Bend	trans	-66.2	-40.2	-179	179.6	0	0	0	0	110.6	M629 F632	M629-V634 HydrophobicContact CE-CG1 4.17Å; M629-V634 VanDerWaalsContact O-CB 3.27Å; M629-V634 WeakPolarHBondContact O-CB 3.36Å; M629-V634 WeakPolarHBondContact O-CG2 3.17Å; M629-V634 PolarHBondContact O-N 3.47Å; M629-V634 VanDerWaalsContact O-N 3.12Å; F632-V634 HydrophobicContact CB-CG2 4.02Å; F632-V634 PolarHBondContact O-N 3Å; F632-V634 VanDerWaalsContact O-N 3.16Å
635	F	71.5	Confident	74.4	Confident	118 Å²	118	70.2 Å²	70.2	52%	0.518	39%	0.385	S	S	.	.	S	Bend	trans	-93.6	-45.7	-179.5	-63.6	-66.2	0	0	0	113.2	M629 N633	M629-F635 HydrophobicContact CB-CD2 4.11Å; M629-F635 HydrophobicContact CB-CE2 3.58Å; M629-F635 HydrophobicContact CB-CZ 4.5Å; M629-F635 HydrophobicContact CE-CE1 4.47Å; M629-F635 HydrophobicContact CE-CE2 3.83Å; M629-F635 HydrophobicContact CE-CZ 3.56Å; M629-F635 HydrophobicContact CG-CE2 4.45Å; M629-F635 HydrophobicContact SD-CE2 4.15Å; M629-F635 HydrophobicContact SD-CZ 4.24Å; N633-F635 VanDerWaalsContact C-N 3.34Å
636	T	68.4	Low	73.7	Confident	66 Å²	66	70 Å²	70	41%	0.405	38%	0.379	S	S	.	.	S	Bend	trans	-146.1	147.1	-178.6	49.8	0	0	0	0	110.2	N633 V638	N633-T636 VanDerWaalsContact CA-O 3.29Å; N633-T636 WeakPolarHBondContact CA-O 3.05Å; N633-T636 PolarHBondContact OD1-O 2.67Å; T636-V638 WeakPolarHBondContact O-CG2 3.46Å; T636-V638 PolarHBondContact O-N 3.28Å; T636-V638 VanDerWaalsContact O-N 3.11Å; T636-V638 WeakPolarHBondContact OG1-CG2 3.31Å
637	F	72	Confident	73.1	Confident	138 Å²	138	67.8 Å²	67.8	61%	0.605	37%	0.373	S	S	*	.			trans	-71.8	105.6	171.5	-168.2	-93.5	0	0	0	109.6	N633	N633-F637 HydrophobicContact CB-CD2 4.42Å
638	V	69.7	Low	72.6	Confident	12 Å²	12	71.2 Å²	71.2	7%	0.073	39%	0.391	C	S	.	.			trans	-108.9	-47.6	-179.1	-175.8	0	0	0	0	110.6	G582 T630 N633 T636	G582-V638 VanDerWaalsContact CA-CG1 3.47Å; T630-V638 HydrophobicContact CG2-CG2 4.24Å; N633-V638 PolarHBondContact OD1-N 2.74Å; T636-V638 WeakPolarHBondContact O-CG2 3.46Å; T636-V638 PolarHBondContact O-N 3.28Å; T636-V638 VanDerWaalsContact O-N 3.11Å; T636-V638 WeakPolarHBondContact OG1-CG2 3.31Å
639	N	69.7	Low	71.9	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.15	40%	0.398	C	S	.	.	S	Bend	trans	-125.9	148.4	-170.1	-76.6	-49.6	0	0	0	114.2	E631 N633	E631-N639 PolarHBondContact OE2-ND2 3.41Å; N633-N639 PolarHBondContact ND2-O 3.28Å; N633-N639 PolarHBondContact OD1-N 2.92Å; N633-N639 VanDerWaalsContact OD1-N 3.1Å
640	L	69.3	Low	71.1	Confident	76 Å²	76	72.2 Å²	72.2	40%	0.398	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-74.5	153.2	175.8	-66.6	109.2	0	0	0	110.8	N85	N85-L640 HydrophobicContact CB-CD2 4.05Å; N85-L640 VanDerWaalsContact O-CD2 3.31Å; N85-L640 WeakPolarHBondContact O-CD2 3.46Å
641	P	70.2	Confident	70.5	Confident	86 Å²	86	75 Å²	75	56%	0.558	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-62.5	153.1	172	27.8	-34.9	0	0	0	111.3	C86 T87	C86-P641 WeakPolarHBondContact CA-O 3.09Å; C86-P641 VanDerWaalsContact CB-O 3.26Å; C86-P641 WeakPolarHBondContact CB-O 3.33Å; T87-P641 PolarHBondContact N-O 2.64Å; T87-P641 VanDerWaalsContact N-O 3.12Å
642	M	67.3	Low	70	Confident	57 Å²	57	79.1 Å²	79.1	28%	0.281	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-66.2	146.7	170.6	-72.2	-166.5	-60.8	0	0	110.9	I509 P510 D511 G644	I509-M642 WeakPolarHBondContact O-CE 3.22Å; P510-M642 VanDerWaalsContact CA-CE 3.45Å; P510-M642 VanDerWaalsContact CA-SD 3.58Å; P510-M642 HydrophobicContact CB-CE 4.43Å; D511-M642 HydrophobicContact CB-SD 4.22Å; D511-M642 PolarHBondContact N-SD 3.11Å; M642-G644 PolarHBondContact O-N 3.02Å
643	C	70	Confident	69.1	Low	23 Å²	23	76.5 Å²	76.5	16%	0.155	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-65.5	124.2	170.5	-58.8	0	0	0	0	108.3	C86 T87	C86-C643 HydrophobicContact CB-CB 3.87Å; C86-C643 WeakPolarHBondContact CB-SG 3.47Å; C86-C643 PolarHBondContact O-SG 2.99Å; C86-C643 WeakPolarHBondContact SG-CA 3.46Å; C86-C643 WeakPolarHBondContact SG-CB 3.35Å; C86-C643 CovalentContact SG-SG 2.03Å; C86-C643 PolarHBondContact SG-SG 3.31Å; T87-C643 PolarHBondContact O-N 3.4Å; T87-C643 PolarHBondContact O-SG 3.31Å
644	G	63	Low	68.5	Low	71 Å²	71	78.7 Å²	78.7	73%	0.732	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-71.4	156.8	165.6	0	0	0	0	0	110.8	M642	M642-G644 PolarHBondContact O-N 3.02Å
645	D	53.6	Low	67.7	Low	180 Å²	180	77.7 Å²	77.7	96%	0.963	44%	0.44	S	S	*	.			trans	-60.5	0	168.9	-77.6	-7.6	0	0	0	112	N101 Y505	N101-D645 PolarHBondContact ND2-OD2 2.99Å; Y505-D645 PolarHBondContact OH-OD1 3.44Å; Y505-D645 PolarHBondContact OH-OD2 2.98Å

Retrieved 645 of 645 residues in 169.1 ms (Link to these results)

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