SECA1_STAA8 Loading...

Protein translocase subunit SecA 1

Part of the Sec protein translocase complex. Interacts with the SecYEG preprotein conducting channel. Has a central role in coupling the hydrolysis of ATP to the transfer of proteins into and across the cell membrane, serving as an ATP-driven molecular motor driving the stepwise translocation of polypeptide chains across the membrane.

AlphaFold DB , UniProt , Accession O06446, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene secA1, Length 843 aa.

						>SECA1_STAA8|O06446|secA1
MGFLSKILDGNNKEIKQLGKLADKVIALEEKTAILTDEEIRNKTKQFQTELADIDNVKKQNDYLDKILPEAYALVREGSKRVFNMTPYKVQIMGGIAIHKGDIAEMRTGEGKTLTATMPTYLNALAGRGVHVITVNEYLSSVQSEEMAELYNFLGLTVGLNLNSKTTEEKREAYAQDITYSTNNELGFDYLRDNMVNYSEDRVMRPLHFAIIDEVDSILIDEARTPLIISGEAEKSTSLYTQANVFAKMLKQDEDYKYDEKTKAVHLTEQGADKAERMFKVENLYDVQNVDVISHINTALRAHVTLQRDVDYMVVDGEVLIVDQFTGRTMPGRRFSEGLHQAIEAKEGVQIQNESKTMASITFQNYFRMYNKLAGMTGTAKTEEEEFRNIYNMTVTQIPTNKPVQRNDKSDLIYISQKGKFDAVVEDVVEKHKAGQPVLLGTVAVETSEYISNLLKKRGIRHDVLNAKNHEREAEIVAGAGQKGAVTIATNMAGRGTDIKLGEGVEELGGLAVIGTERHESRRIDDQLRGRSGRQGDKGDSRFYLSLQDELMIRFGSERLQKMMSRLGLDDSTPIESKMVSRAVESAQKRVEGNNFDARKRILEYDEVLRKQREIIYNERNSIIDEEDSSQVVDAMLRSTLQRSINYYINTADDEPEYQPFIDYINDIFLQEGDITEDDIKGKDAEDIFEVVWAKIEAAYQSQKDILEEQMNEFERMILLRSIDSHWTDHIDTMDQLRQGIHLRSYAQQNPLRDYQNEGHELFDIMMQNIEEDTCKFILKSVVQVEDNIEREKTTEFGEAKHVSAEDGKEKVKPKPIVKGDQVGRNDDCPCGSGKKFKNCHGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	45.4	Very low	214 Å²	214	108 Å²	108	100%	1.054	59%	0.59	S	S	*	*				0	-34.4	0	-69.7	-166.2	-157	0	0	114.1	F3 L4 S5	M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 2.62Å; M1-L4 PolarHBondContact O-N 2.81Å; M1-S5 PolarHBondContact O-N 2.77Å
2	G	40	Very low	48.4	Very low	53 Å²	53	106.3 Å²	106.3	55%	0.546	58%	0.58	S	S	.	*	H	α-helix	trans	-69.1	-15.7	-177.6	0	0	0	0	0	117.3	S5	G2-S5 PolarHBondContact O-OG 3.07Å; G2-S5 VanDerWaalsContact O-OG 3.13Å
3	F	39.3	Very low	51.4	Low	169 Å²	169	109.2 Å²	109.2	74%	0.741	58%	0.583	S	S	*	*	H	α-helix	trans	-84	-34.4	175.6	-154	-93.2	0	0	0	112.1	M1 K6 I7	M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 2.62Å; F3-K6 PolarHBondContact O-N 3.3Å; F3-I7 HydrophobicContact CD1-CD1 4.16Å; F3-I7 HydrophobicContact CE1-CD1 4.24Å; F3-I7 PolarHBondContact O-N 2.88Å
4	L	36.6	Very low	54	Low	122 Å²	122	104.1 Å²	104.1	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-73.4	-35	175.1	-85.8	148.6	0	0	0	112	M1 K6 I7 L8	M1-L4 PolarHBondContact O-N 2.81Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 3.27Å; L4-I7 PolarHBondContact O-N 3.08Å; L4-L8 PolarHBondContact O-N 3.19Å; L4-L8 VanDerWaalsContact O-N 3.09Å
5	S	37.8	Very low	56.6	Low	58 Å²	58	99.5 Å²	99.5	41%	0.406	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-32.5	173	65.5	0	0	0	0	112.5	M1 G2 I7 L8 D9	M1-S5 PolarHBondContact O-N 2.77Å; G2-S5 PolarHBondContact O-OG 3.07Å; G2-S5 VanDerWaalsContact O-OG 3.13Å; S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 2.98Å; S5-L8 CarbonylContact O-C 3.57Å; S5-L8 PolarHBondContact O-N 3.05Å; S5-D9 VanDerWaalsContact O-CG 3.24Å; S5-D9 PolarHBondContact O-N 3.29Å
6	K	31.1	Very low	58.8	Low	155 Å²	155	102.6 Å²	102.6	67%	0.674	54%	0.537	S	S	*	.	H	α-helix	trans	-72.5	-20.9	174.9	-87.4	-175.7	176.3	179.5	0	114.5	F3 L4 D9	F3-K6 PolarHBondContact O-N 3.3Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 3.27Å; K6-D9 WeakPolarHBondContact O-CB 3.09Å
7	I	36.3	Very low	60.9	Low	121 Å²	121	101.5 Å²	101.5	62%	0.621	53%	0.528	S	S	*	.	H	α-helix	trans	-85.4	-32.8	173.7	-67.6	170.6	0	0	0	110	F3 L4 S5 D9	F3-I7 HydrophobicContact CD1-CD1 4.16Å; F3-I7 HydrophobicContact CE1-CD1 4.24Å; F3-I7 PolarHBondContact O-N 2.88Å; L4-I7 PolarHBondContact O-N 3.08Å; S5-I7 VanDerWaalsContact C-N 3.33Å; S5-I7 PolarHBondContact O-N 2.98Å; I7-D9 PolarHBondContact O-N 3.29Å
8	L	46	Very low	62.8	Low	149 Å²	149	95.8 Å²	95.8	78%	0.78	50%	0.499	S	S	*	.	H	α-helix	trans	-71.1	-13.7	167.3	-75.6	154	0	0	0	113.2	L4 S5 G10	L4-L8 PolarHBondContact O-N 3.19Å; L4-L8 VanDerWaalsContact O-N 3.09Å; S5-L8 CarbonylContact O-C 3.57Å; S5-L8 PolarHBondContact O-N 3.05Å; L8-G10 PolarHBondContact O-N 2.98Å
9	D	54.2	Low	64.6	Low	59 Å²	59	91.3 Å²	91.3	32%	0.316	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	12.8	178.5	-88.8	-30.6	0	0	0	114.7	S5 K6 I7 N11 N12 K13	S5-D9 VanDerWaalsContact O-CG 3.24Å; S5-D9 PolarHBondContact O-N 3.29Å; K6-D9 WeakPolarHBondContact O-CB 3.09Å; I7-D9 PolarHBondContact O-N 3.29Å; D9-N11 PolarHBondContact O-N 3.27Å; D9-N11 VanDerWaalsContact O-N 3.16Å; D9-N12 HydrophobicContact CB-CB 4.31Å; D9-N12 WeakPolarHBondContact O-CB 3.45Å; D9-N12 PolarHBondContact O-N 3.42Å; D9-N12 PolarHBondContact OD1-ND2 3.15Å; D9-K13 PolarHBondContact O-N 3.15Å; D9-K13 VanDerWaalsContact O-N 3.09Å
10	G	65	Low	66.2	Low	49 Å²	49	94.3 Å²	94.3	51%	0.505	49%	0.486	S	S	.	.	H	α-helix	trans	-48.1	-45.6	179.9	0	0	0	0	0	112.8	L8 N12 K13 E14	L8-G10 PolarHBondContact O-N 2.98Å; G10-N12 PolarHBondContact O-N 3.48Å; G10-K13 PolarHBondContact O-N 2.7Å; G10-E14 PolarHBondContact O-N 3.11Å; G10-E14 VanDerWaalsContact O-N 3.12Å
11	N	75.5	Confident	67.7	Low	39 Å²	39	92.1 Å²	92.1	21%	0.209	48%	0.476	C	S	.	.	H	α-helix	trans	-63.5	-42	176.8	-166.1	31.4	0	0	0	112.6	D9 K13 E14 I15 Q397	D9-N11 PolarHBondContact O-N 3.27Å; D9-N11 VanDerWaalsContact O-N 3.16Å; N11-K13 VanDerWaalsContact C-N 3.32Å; N11-K13 PolarHBondContact O-N 2.9Å; N11-E14 PolarHBondContact O-N 3.28Å; N11-I15 WeakPolarHBondContact O-CB 3.37Å; N11-I15 VanDerWaalsContact O-CG1 3.23Å; N11-I15 WeakPolarHBondContact O-CG1 3.47Å; N11-I15 PolarHBondContact O-N 3.35Å; N11-Q397 PolarHBondContact OD1-N 3.29Å
12	N	81.6	Confident	70.5	Confident	88 Å²	88	82 Å²	82	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-34.1	-179.9	-80.4	-28.1	0	0	0	113	D9 G10 K16	D9-N12 HydrophobicContact CB-CB 4.31Å; D9-N12 WeakPolarHBondContact O-CB 3.45Å; D9-N12 PolarHBondContact O-N 3.42Å; D9-N12 PolarHBondContact OD1-ND2 3.15Å; G10-N12 PolarHBondContact O-N 3.48Å; N12-K16 WeakPolarHBondContact O-CG 3.34Å; N12-K16 PolarHBondContact O-N 3.4Å
13	K	86.8	Confident	73.3	Confident	143 Å²	143	83.1 Å²	83.1	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-69.6	-44.8	174.6	-174.7	-177.2	174.5	-170.5	0	110.6	D9 G10 N11 K16 Q17	D9-K13 PolarHBondContact O-N 3.15Å; D9-K13 VanDerWaalsContact O-N 3.09Å; G10-K13 PolarHBondContact O-N 2.7Å; N11-K13 VanDerWaalsContact C-N 3.32Å; N11-K13 PolarHBondContact O-N 2.9Å; K13-K16 PolarHBondContact O-N 2.85Å; K13-Q17 WeakPolarHBondContact O-CG 3.41Å; K13-Q17 PolarHBondContact O-N 2.82Å; K13-Q17 VanDerWaalsContact O-N 3.14Å
14	E	88.8	Confident	76.1	Confident	39 Å²	39	81 Å²	81	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-61.4	-50.5	179.1	-170.5	55.3	-144.5	0	0	111.1	G10 N11 K16 Q17 L18 K100 T396	G10-E14 PolarHBondContact O-N 3.11Å; G10-E14 VanDerWaalsContact O-N 3.12Å; N11-E14 PolarHBondContact O-N 3.28Å; E14-K16 PolarHBondContact O-N 3.49Å; E14-K16 VanDerWaalsContact O-N 3.16Å; E14-Q17 WeakPolarHBondContact O-CA 3.47Å; E14-Q17 WeakPolarHBondContact O-CB 3.31Å; E14-Q17 PolarHBondContact O-N 2.89Å; E14-L18 HydrophobicContact CG-CD1 4.19Å; E14-L18 HydrophobicContact CG-CG 4.35Å; E14-L18 WeakPolarHBondContact O-CG 3.27Å; E14-L18 PolarHBondContact O-N 3.48Å; E14-K100 IonicContact OE1-NZ 3.45Å; E14-K100 PolarHBondContact OE1-NZ 3.28Å; E14-K100 IonicContact OE2-NZ 3.46Å; E14-T396 HydrophobicContact CG-CG2 4.12Å
15	I	92.2	Very high	79	Confident	34 Å²	34	75.2 Å²	75.2	17%	0.174	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-38.1	176.5	-70.2	-60.6	0	0	0	112.7	N11 L18 G19 M93 T396 Q397 I398	N11-I15 WeakPolarHBondContact O-CB 3.37Å; N11-I15 VanDerWaalsContact O-CG1 3.23Å; N11-I15 WeakPolarHBondContact O-CG1 3.47Å; N11-I15 PolarHBondContact O-N 3.35Å; I15-L18 HydrophobicContact CD1-CD1 4.48Å; I15-G19 PolarHBondContact O-N 3.46Å; I15-M93 HydrophobicContact CD1-CE 3.88Å; I15-M93 HydrophobicContact CG2-CE 3.83Å; I15-T396 HydrophobicContact CD1-CG2 3.75Å; I15-T396 HydrophobicContact CG1-CG2 4.47Å; I15-Q397 WeakPolarHBondContact CD1-O 3.5Å; I15-I398 HydrophobicContact CD1-CD1 4.21Å
16	K	92.8	Very high	81.9	Confident	149 Å²	149	75 Å²	75	65%	0.648	37%	0.373	S	S	*	.	H	α-helix	trans	-68.7	-35.4	175.1	-74.8	175.6	-175.2	177.8	0	112.7	N12 K13 E14 K20	N12-K16 WeakPolarHBondContact O-CG 3.34Å; N12-K16 PolarHBondContact O-N 3.4Å; K13-K16 PolarHBondContact O-N 2.85Å; E14-K16 PolarHBondContact O-N 3.49Å; E14-K16 VanDerWaalsContact O-N 3.16Å; K16-K20 WeakPolarHBondContact O-CG 3.14Å; K16-K20 PolarHBondContact O-N 3.16Å
17	Q	93.6	Very high	85.1	Confident	84 Å²	84	71.3 Å²	71.3	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-70.3	-47.2	176.4	-69.9	-177.7	-6.5	0	0	111	K13 E14 G19 K20 L21	K13-Q17 WeakPolarHBondContact O-CG 3.41Å; K13-Q17 PolarHBondContact O-N 2.82Å; K13-Q17 VanDerWaalsContact O-N 3.14Å; E14-Q17 WeakPolarHBondContact O-CA 3.47Å; E14-Q17 WeakPolarHBondContact O-CB 3.31Å; E14-Q17 PolarHBondContact O-N 2.89Å; Q17-G19 VanDerWaalsContact C-N 3.31Å; Q17-G19 PolarHBondContact O-N 3.47Å; Q17-K20 PolarHBondContact O-N 2.87Å; Q17-L21 PolarHBondContact O-N 2.88Å; Q17-L21 VanDerWaalsContact O-N 3.15Å
18	L	96	Very high	88	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-44.4	174.5	-61.5	-179.9	0	0	0	111	E14 I15 K20 L21 A22 M93 I96 A97 T396 I398	E14-L18 HydrophobicContact CG-CD1 4.19Å; E14-L18 HydrophobicContact CG-CG 4.35Å; E14-L18 WeakPolarHBondContact O-CG 3.27Å; E14-L18 PolarHBondContact O-N 3.48Å; I15-L18 HydrophobicContact CD1-CD1 4.48Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 2.97Å; L18-L21 PolarHBondContact O-N 2.8Å; L18-A22 WeakPolarHBondContact O-CB 3.33Å; L18-A22 PolarHBondContact O-N 2.85Å; L18-M93 HydrophobicContact CB-CB 4.04Å; L18-M93 HydrophobicContact CB-CE 4.31Å; L18-M93 HydrophobicContact CB-CG 4Å; L18-I96 HydrophobicContact CD2-CB 3.84Å; L18-I96 HydrophobicContact CD2-CG2 3.38Å; L18-A97 HydrophobicContact CD1-CB 4.18Å; L18-T396 HydrophobicContact CD1-CG2 3.76Å; L18-I398 HydrophobicContact CD1-CD1 4.17Å
19	G	96.1	Very high	90.3	Very high	9 Å²	9	63.5 Å²	63.5	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-41.3	177.2	0	0	0	0	0	113.2	I15 Q17 A22 D23	I15-G19 PolarHBondContact O-N 3.46Å; Q17-G19 VanDerWaalsContact C-N 3.31Å; Q17-G19 PolarHBondContact O-N 3.47Å; G19-A22 PolarHBondContact O-N 2.88Å; G19-D23 PolarHBondContact O-N 2.96Å
20	K	96.9	Very high	92.2	Very high	151 Å²	151	68.5 Å²	68.5	66%	0.657	35%	0.351	S	S	*	.	H	α-helix	trans	-66	-38.9	176.8	-75.5	176.4	-179.5	-174.4	0	112.8	K16 Q17 L18 K24	K16-K20 WeakPolarHBondContact O-CG 3.14Å; K16-K20 PolarHBondContact O-N 3.16Å; Q17-K20 PolarHBondContact O-N 2.87Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-K20 PolarHBondContact O-N 2.97Å; K20-K24 PolarHBondContact O-N 2.88Å
21	L	96.9	Very high	93.7	Very high	50 Å²	50	73.3 Å²	73.3	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-69.7	-40.7	175.6	-74.7	171.7	0	0	0	110.9	Q17 L18 D23 K24 V25 I96	Q17-L21 PolarHBondContact O-N 2.88Å; Q17-L21 VanDerWaalsContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 2.8Å; L21-D23 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 2.84Å; L21-K24 HydrophobicContact CD2-CD 4.37Å; L21-K24 WeakPolarHBondContact O-CB 3.44Å; L21-K24 PolarHBondContact O-N 3.04Å; L21-K24 VanDerWaalsContact O-N 3.08Å; L21-V25 WeakPolarHBondContact O-CG2 3.36Å; L21-V25 PolarHBondContact O-N 3.22Å; L21-V25 VanDerWaalsContact O-N 3.15Å; L21-I96 HydrophobicContact CB-CD1 3.63Å; L21-I96 HydrophobicContact CD1-CG2 4.01Å
22	A	97.9	Very high	94.6	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-38.8	174.2	0	0	0	0	0	112.3	L18 G19 K24 V25 I26 K89 I92 M93	L18-A22 WeakPolarHBondContact O-CB 3.33Å; L18-A22 PolarHBondContact O-N 2.85Å; G19-A22 PolarHBondContact O-N 2.88Å; A22-K24 VanDerWaalsContact C-N 3.3Å; A22-K24 PolarHBondContact O-N 3.37Å; A22-V25 WeakPolarHBondContact O-CB 3.4Å; A22-V25 PolarHBondContact O-N 3.26Å; A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 3.43Å; A22-K89 HydrophobicContact CB-CG 3.99Å; A22-I92 HydrophobicContact CB-CB 3.98Å; A22-I92 HydrophobicContact CB-CG2 3.58Å; A22-M93 HydrophobicContact CB-CG 3.84Å
23	D	98.2	Very high	95.2	Very high	77 Å²	77	69.6 Å²	69.6	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-35	174.4	-71	-35.1	0	0	0	112.4	G19 L21 I26 A27 K89	G19-D23 PolarHBondContact O-N 2.96Å; L21-D23 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 2.84Å; D23-I26 PolarHBondContact O-N 2.85Å; D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 3.21Å; D23-K89 VanDerWaalsContact OD1-CE 3.29Å; D23-K89 WeakPolarHBondContact OD1-CE 3.36Å; D23-K89 IonicContact OD1-NZ 2.94Å; D23-K89 PolarHBondContact OD1-NZ 2.96Å; D23-K89 IonicContact OD2-NZ 2.84Å; D23-K89 PolarHBondContact OD2-NZ 2.95Å
24	K	98	Very high	95.7	Very high	125 Å²	125	69.4 Å²	69.4	54%	0.543	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-40	173.4	-66.5	-179.7	-177.8	-179.4	0	112	K20 L21 A22 A27 L28 P69	K20-K24 PolarHBondContact O-N 2.88Å; L21-K24 HydrophobicContact CD2-CD 4.37Å; L21-K24 WeakPolarHBondContact O-CB 3.44Å; L21-K24 PolarHBondContact O-N 3.04Å; L21-K24 VanDerWaalsContact O-N 3.08Å; A22-K24 VanDerWaalsContact C-N 3.3Å; A22-K24 PolarHBondContact O-N 3.37Å; K24-A27 PolarHBondContact O-N 2.9Å; K24-L28 WeakPolarHBondContact O-CG 3.19Å; K24-L28 PolarHBondContact O-N 3.05Å; K24-P69 HydrophobicContact CB-CB 4.19Å; K24-P69 HydrophobicContact CB-CG 4.41Å
25	V	98.2	Very high	96	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-46.2	177.1	-178.5	0	0	0	0	110.1	L21 A22 A27 L28 L68 P69 A73 I92	L21-V25 WeakPolarHBondContact O-CG2 3.36Å; L21-V25 PolarHBondContact O-N 3.22Å; L21-V25 VanDerWaalsContact O-N 3.15Å; A22-V25 WeakPolarHBondContact O-CB 3.4Å; A22-V25 PolarHBondContact O-N 3.26Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 3.16Å; V25-L28 PolarHBondContact O-N 3.18Å; V25-L28 VanDerWaalsContact O-N 3.16Å; V25-L68 HydrophobicContact CG2-CD2 4.49Å; V25-P69 HydrophobicContact CG2-CB 4.2Å; V25-A73 HydrophobicContact CG1-CB 4.33Å; V25-I92 HydrophobicContact CB-CD1 4.39Å; V25-I92 HydrophobicContact CB-CG2 4.09Å; V25-I92 HydrophobicContact CG1-CD1 4.17Å; V25-I92 HydrophobicContact CG1-CG2 4.31Å; V25-I92 HydrophobicContact CG2-CG2 3.87Å
26	I	98	Very high	96.2	Very high	54 Å²	54	71.5 Å²	71.5	28%	0.277	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-38.7	178.8	-66.1	166	0	0	0	111.1	A22 D23 L28 E29 K89 I92	A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 3.43Å; D23-I26 PolarHBondContact O-N 2.85Å; I26-L28 PolarHBondContact O-N 2.81Å; I26-L28 VanDerWaalsContact O-N 3.12Å; I26-E29 WeakPolarHBondContact O-CB 3.41Å; I26-E29 PolarHBondContact O-N 3.2Å; I26-K89 HydrophobicContact CD1-CB 3.89Å; I26-K89 HydrophobicContact CD1-CD 4.25Å; I26-K89 HydrophobicContact CD1-CG 4.01Å; I26-I92 HydrophobicContact CD1-CD1 4.12Å; I26-I92 HydrophobicContact CG1-CD1 3.72Å
27	A	97.6	Very high	96.4	Very high	77 Å²	77	67.8 Å²	67.8	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.2	177.5	0	0	0	0	0	114.4	D23 K24 V25	D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 3.21Å; K24-A27 PolarHBondContact O-N 2.9Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 3.16Å
28	L	97.3	Very high	96.5	Very high	45 Å²	45	69.7 Å²	69.7	24%	0.236	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.3	176	-65.4	174.2	0	0	0	113.2	K24 V25 I26 E30 K31 T32 P69 E70 A73	K24-L28 WeakPolarHBondContact O-CG 3.19Å; K24-L28 PolarHBondContact O-N 3.05Å; V25-L28 PolarHBondContact O-N 3.18Å; V25-L28 VanDerWaalsContact O-N 3.16Å; I26-L28 PolarHBondContact O-N 2.81Å; I26-L28 VanDerWaalsContact O-N 3.12Å; L28-E30 PolarHBondContact O-N 3.3Å; L28-K31 HydrophobicContact CD2-CD 4.32Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-T32 WeakPolarHBondContact O-CB 3.38Å; L28-T32 PolarHBondContact O-N 2.8Å; L28-T32 PolarHBondContact O-OG1 2.67Å; L28-P69 HydrophobicContact CD1-CB 4.08Å; L28-E70 HydrophobicContact CD1-CB 4.33Å; L28-A73 HydrophobicContact CB-CB 3.77Å; L28-A73 HydrophobicContact CD1-CB 4.38Å
29	E	94.7	Very high	96.6	Very high	62 Å²	62	73.9 Å²	73.9	29%	0.29	38%	0.38	S	S	.	.	H	α-helix	trans	-56.7	-51	-174.6	-174.6	165.8	162.5	0	0	112.7	I26 K31 T32 A33 R76	I26-E29 WeakPolarHBondContact O-CB 3.41Å; I26-E29 PolarHBondContact O-N 3.2Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.46Å; E29-T32 PolarHBondContact O-N 2.76Å; E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 2.81Å; E29-R76 IonicContact OE2-CZ 3.44Å; E29-R76 IonicContact OE2-NH1 3.35Å; E29-R76 PolarHBondContact OE2-NH1 2.95Å; E29-R76 IonicContact OE2-NH2 2.89Å; E29-R76 PolarHBondContact OE2-NH2 2.83Å
30	E	95.1	Very high	96.6	Very high	164 Å²	164	73.5 Å²	73.5	77%	0.766	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-39.3	-179.8	-65.3	-176.1	168.3	0	0	112.7	L28 T32 I34	L28-E30 PolarHBondContact O-N 3.3Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 2.79Å; E30-I34 WeakPolarHBondContact O-CG1 3.41Å
31	K	95.3	Very high	96.5	Very high	149 Å²	149	71.5 Å²	71.5	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-68.2	-34.9	178.7	-68.3	-177.2	179.3	179.4	0	111.8	L28 E29	L28-K31 HydrophobicContact CD2-CD 4.32Å; L28-K31 PolarHBondContact O-N 2.93Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.46Å
32	T	94.9	Very high	96.5	Very high	10 Å²	10	72.6 Å²	72.6	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-78.1	-36.9	-179.2	-47.1	0	0	0	0	111	L28 E29 E30 I34 L35 L74 E77	L28-T32 WeakPolarHBondContact O-CB 3.38Å; L28-T32 PolarHBondContact O-N 2.8Å; L28-T32 PolarHBondContact O-OG1 2.67Å; E29-T32 PolarHBondContact O-N 2.76Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 2.79Å; T32-I34 PolarHBondContact O-N 2.78Å; T32-L35 HydrophobicContact CG2-CD1 4.27Å; T32-L35 WeakPolarHBondContact O-CB 3.31Å; T32-L35 WeakPolarHBondContact O-CG 3.29Å; T32-L35 PolarHBondContact O-N 3.11Å; T32-L35 VanDerWaalsContact O-N 3.08Å; T32-L74 HydrophobicContact CG2-CD2 3.8Å; T32-L74 HydrophobicContact CG2-CG 4.43Å; T32-E77 HydrophobicContact CG2-CB 3.75Å; T32-E77 HydrophobicContact CG2-CG 4.17Å
33	A	95	Very high	96.5	Very high	39 Å²	39	75.1 Å²	75.1	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-26.1	179.8	0	0	0	0	0	113.9	E29 L35 R81	E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 2.81Å; A33-L35 VanDerWaalsContact C-N 3.3Å; A33-R81 PolarHBondContact O-NH2 2.79Å
34	I	96.3	Very high	96.5	Very high	140 Å²	140	71.5 Å²	71.5	72%	0.718	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.9	177.8	-64.6	164.8	0	0	0	111.8	E30 T32	E30-I34 WeakPolarHBondContact O-CG1 3.41Å; T32-I34 PolarHBondContact O-N 2.78Å
35	L	95.9	Very high	96.4	Very high	42 Å²	42	71.6 Å²	71.6	22%	0.22	36%	0.362	C	S	.	.	S	Bend	trans	-67.7	141.2	-178.7	-57.8	177.6	0	0	0	111.3	T32 A33 E39 I40 L74 R81	T32-L35 HydrophobicContact CG2-CD1 4.27Å; T32-L35 WeakPolarHBondContact O-CB 3.31Å; T32-L35 WeakPolarHBondContact O-CG 3.29Å; T32-L35 PolarHBondContact O-N 3.11Å; T32-L35 VanDerWaalsContact O-N 3.08Å; A33-L35 VanDerWaalsContact C-N 3.3Å; L35-E39 HydrophobicContact CB-CB 4.21Å; L35-E39 HydrophobicContact CD2-CB 4.33Å; L35-I40 HydrophobicContact CB-CG1 3.98Å; L35-I40 HydrophobicContact CD1-CG1 4.37Å; L35-L74 HydrophobicContact CD1-CD2 4.03Å; L35-R81 VanDerWaalsContact O-CZ 3.29Å; L35-R81 PolarHBondContact O-NH1 2.96Å; L35-R81 PolarHBondContact O-NH2 3.29Å
36	T	96.6	Very high	96.4	Very high	74 Å²	74	75.5 Å²	75.5	45%	0.454	38%	0.38	S	S	.	.			trans	-73.6	160.7	168.3	62.3	0	0	0	0	111.3	E38 E39 I40	T36-E38 PolarHBondContact O-N 3.3Å; T36-E39 WeakPolarHBondContact CB-OE2 3.42Å; T36-E39 PolarHBondContact N-OE2 3.2Å; T36-E39 PolarHBondContact O-N 3.45Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CG 3.24Å; T36-E39 WeakPolarHBondContact OG1-CG 3.41Å; T36-E39 PolarHBondContact OG1-N 2.85Å; T36-E39 PolarHBondContact OG1-OE2 2.81Å; T36-I40 PolarHBondContact O-N 3.41Å
37	D	96.4	Very high	96.4	Very high	71 Å²	71	73 Å²	73	38%	0.38	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-28.5	177.8	-61.7	-13.9	0	0	0	112.6	R41 R81 F153	D37-R41 WeakPolarHBondContact O-CG 3.26Å; D37-R41 PolarHBondContact O-N 2.78Å; D37-R41 PolarHBondContact O-NE 2.83Å; D37-R81 WeakPolarHBondContact OD1-CD 3.3Å; D37-R81 IonicContact OD1-CZ 2.71Å; D37-R81 IonicContact OD1-NE 2.61Å; D37-R81 IonicContact OD1-NH1 2.96Å; D37-R81 PolarHBondContact OD1-NH1 2.87Å; D37-F153 HydrophobicContact CB-CE2 3.91Å; D37-F153 HydrophobicContact CB-CZ 4.17Å; D37-F153 WeakPolarHBondContact OD1-CZ 3.47Å
38	E	95.7	Very high	96.4	Very high	125 Å²	125	71.8 Å²	71.8	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-73	-41.6	174.7	-170.4	178.8	170.8	0	0	111.6	T36 I40 R41 N42	T36-E38 PolarHBondContact O-N 3.3Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.5Å; E38-R41 PolarHBondContact O-N 2.83Å; E38-N42 WeakPolarHBondContact O-CB 3.3Å; E38-N42 PolarHBondContact O-N 3.35Å; E38-N42 PolarHBondContact O-ND2 3.36Å
39	E	97	Very high	96.4	Very high	88 Å²	88	73.6 Å²	73.6	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-37.2	175.9	-73.3	166.7	138.1	0	0	112.3	L35 T36 N42 K43	L35-E39 HydrophobicContact CB-CB 4.21Å; L35-E39 HydrophobicContact CD2-CB 4.33Å; T36-E39 WeakPolarHBondContact CB-OE2 3.42Å; T36-E39 PolarHBondContact N-OE2 3.2Å; T36-E39 PolarHBondContact O-N 3.45Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CG 3.24Å; T36-E39 WeakPolarHBondContact OG1-CG 3.41Å; T36-E39 PolarHBondContact OG1-N 2.85Å; T36-E39 PolarHBondContact OG1-OE2 2.81Å; E39-N42 PolarHBondContact O-N 3.21Å; E39-K43 WeakPolarHBondContact O-CG 3.3Å; E39-K43 PolarHBondContact O-N 2.95Å
40	I	95.8	Very high	96.6	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-48.2	173.7	-68.4	174.9	0	0	0	110.4	L35 T36 E38 N42 K43 T44 L74 E77 F153 L154	L35-I40 HydrophobicContact CB-CG1 3.98Å; L35-I40 HydrophobicContact CD1-CG1 4.37Å; T36-I40 PolarHBondContact O-N 3.41Å; E38-I40 VanDerWaalsContact C-N 3.34Å; E38-I40 PolarHBondContact O-N 3.5Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 PolarHBondContact O-N 3.48Å; I40-K43 WeakPolarHBondContact O-CB 3.19Å; I40-K43 PolarHBondContact O-N 2.86Å; I40-T44 PolarHBondContact O-N 3.07Å; I40-T44 PolarHBondContact O-OG1 2.91Å; I40-L74 HydrophobicContact CB-CD2 4.44Å; I40-L74 HydrophobicContact CG1-CD2 4.09Å; I40-L74 HydrophobicContact CG2-CD2 4.18Å; I40-E77 HydrophobicContact CD1-CG 4.16Å; I40-F153 HydrophobicContact CD1-CE1 4.22Å; I40-F153 HydrophobicContact CD1-CZ 4.21Å; I40-F153 HydrophobicContact CG2-CE1 4.08Å; I40-L154 HydrophobicContact CG2-CD2 3.71Å
41	R	95.8	Very high	96.7	Very high	109 Å²	109	65.7 Å²	65.7	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-36.7	176.7	-74.7	178	-75.9	154.9	-5.4	112.6	D37 E38 K43 T44 K45 F153	D37-R41 WeakPolarHBondContact O-CG 3.26Å; D37-R41 PolarHBondContact O-N 2.78Å; D37-R41 PolarHBondContact O-NE 2.83Å; E38-R41 PolarHBondContact O-N 2.83Å; R41-K43 VanDerWaalsContact C-N 3.31Å; R41-K43 PolarHBondContact O-N 2.76Å; R41-T44 WeakPolarHBondContact O-CB 3.24Å; R41-T44 PolarHBondContact O-N 3.25Å; R41-K45 PolarHBondContact O-N 3.09Å; R41-F153 WeakPolarHBondContact CD-O 3.36Å; R41-F153 WeakPolarHBondContact CG-O 3.46Å
42	N	97.2	Very high	96.7	Very high	74 Å²	74	62.2 Å²	62.2	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-68	-31.4	176.5	-72.3	-23.4	0	0	0	112.1	E38 E39 I40 K45 Q46	E38-N42 WeakPolarHBondContact O-CB 3.3Å; E38-N42 PolarHBondContact O-N 3.35Å; E38-N42 PolarHBondContact O-ND2 3.36Å; E39-N42 PolarHBondContact O-N 3.21Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 PolarHBondContact O-N 3.48Å; N42-K45 PolarHBondContact O-N 2.99Å; N42-Q46 WeakPolarHBondContact O-CB 3.3Å; N42-Q46 PolarHBondContact O-N 2.95Å
43	K	97.6	Very high	96.7	Very high	53 Å²	53	67.6 Å²	67.6	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-41.5	171.6	-80.1	-76.4	-177.6	172.4	0	112.3	E39 I40 R41 Q46 F47 E70 L74	E39-K43 WeakPolarHBondContact O-CG 3.3Å; E39-K43 PolarHBondContact O-N 2.95Å; I40-K43 WeakPolarHBondContact O-CB 3.19Å; I40-K43 PolarHBondContact O-N 2.86Å; R41-K43 VanDerWaalsContact C-N 3.31Å; R41-K43 PolarHBondContact O-N 2.76Å; K43-Q46 WeakPolarHBondContact O-CB 3.37Å; K43-Q46 PolarHBondContact O-N 3.01Å; K43-F47 VanDerWaalsContact O-CD2 3.26Å; K43-F47 WeakPolarHBondContact O-CD2 3.17Å; K43-F47 WeakPolarHBondContact O-CG 3.39Å; K43-F47 PolarHBondContact O-N 3.32Å; K43-E70 WeakPolarHBondContact CE-OE1 3.12Å; K43-E70 IonicContact NZ-OE1 3.59Å; K43-E70 PolarHBondContact NZ-OE1 2.82Å; K43-L74 HydrophobicContact CB-CD1 3.77Å; K43-L74 HydrophobicContact CB-CD2 4.44Å; K43-L74 HydrophobicContact CG-CD1 4.45Å
44	T	97.7	Very high	96.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.7	-48.6	174.6	-54.3	0	0	0	0	111.3	I40 R41 Q46 F47 Q48 Y121 L125 L154 L156	I40-T44 PolarHBondContact O-N 3.07Å; I40-T44 PolarHBondContact O-OG1 2.91Å; R41-T44 WeakPolarHBondContact O-CB 3.24Å; R41-T44 PolarHBondContact O-N 3.25Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 2.57Å; T44-F47 PolarHBondContact O-N 2.79Å; T44-Q48 WeakPolarHBondContact O-CG 3.47Å; T44-Q48 PolarHBondContact O-N 3.19Å; T44-Y121 HydrophobicContact CG2-CE2 3.96Å; T44-Y121 PolarHBondContact OG1-OH 3.41Å; T44-L125 HydrophobicContact CG2-CD2 3.68Å; T44-L154 VanDerWaalsContact CB-O 3.22Å; T44-L154 WeakPolarHBondContact CB-O 3.39Å; T44-L154 VanDerWaalsContact CG2-O 3.32Å; T44-L154 WeakPolarHBondContact CG2-O 3.27Å; T44-L154 PolarHBondContact OG1-O 3.33Å; T44-L156 HydrophobicContact CG2-CD2 3.96Å; T44-L156 HydrophobicContact CG2-CG 4.32Å
45	K	96.8	Very high	96.4	Very high	128 Å²	128	67.2 Å²	67.2	56%	0.557	35%	0.345	S	S	*	.	H	α-helix	trans	-60	-42.9	175.6	-67.8	179.2	-179.5	177.8	0	112.4	R41 N42 F47 Q48 T49	R41-K45 PolarHBondContact O-N 3.09Å; N42-K45 PolarHBondContact O-N 2.99Å; K45-F47 PolarHBondContact O-N 2.73Å; K45-Q48 PolarHBondContact O-N 2.82Å; K45-T49 PolarHBondContact O-N 3.26Å; K45-T49 PolarHBondContact O-OG1 2.92Å; K45-T49 VanDerWaalsContact O-OG1 3.11Å
46	Q	97.7	Very high	96.2	Very high	81 Å²	81	68.5 Å²	68.5	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-56.8	-49.9	176	-178.2	-169.9	-14.6	0	0	110.8	N42 K43 T44 Q48 T49 E50	N42-Q46 WeakPolarHBondContact O-CB 3.3Å; N42-Q46 PolarHBondContact O-N 2.95Å; K43-Q46 WeakPolarHBondContact O-CB 3.37Å; K43-Q46 PolarHBondContact O-N 3.01Å; T44-Q46 VanDerWaalsContact C-N 3.34Å; T44-Q46 PolarHBondContact O-N 2.57Å; Q46-Q48 VanDerWaalsContact C-N 3.34Å; Q46-Q48 PolarHBondContact O-N 3.35Å; Q46-T49 PolarHBondContact O-N 3.03Å; Q46-E50 HydrophobicContact CG-CG 4.49Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.29Å; Q46-E50 PolarHBondContact NE2-OE1 2.89Å; Q46-E50 VanDerWaalsContact O-CG 3.32Å; Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 2.77Å
47	F	98.3	Very high	95.9	Very high	3 Å²	3	68.1 Å²	68.1	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-40.1	178.8	-64.9	-38.4	0	0	0	112.6	K43 T44 K45 E50 L51 I67 E70 L74 L125	K43-F47 VanDerWaalsContact O-CD2 3.26Å; K43-F47 WeakPolarHBondContact O-CD2 3.17Å; K43-F47 WeakPolarHBondContact O-CG 3.39Å; K43-F47 PolarHBondContact O-N 3.32Å; T44-F47 PolarHBondContact O-N 2.79Å; K45-F47 PolarHBondContact O-N 2.73Å; F47-E50 PolarHBondContact O-N 2.64Å; F47-L51 WeakPolarHBondContact O-CB 3.39Å; F47-L51 WeakPolarHBondContact O-CD1 3.28Å; F47-L51 WeakPolarHBondContact O-CG 3.38Å; F47-L51 PolarHBondContact O-N 3.42Å; F47-I67 HydrophobicContact CB-CD1 4.17Å; F47-I67 HydrophobicContact CD1-CD1 3.89Å; F47-I67 HydrophobicContact CD1-CG2 4.36Å; F47-I67 HydrophobicContact CD2-CD1 4.28Å; F47-I67 HydrophobicContact CE1-CB 4.28Å; F47-I67 HydrophobicContact CE1-CD1 4.32Å; F47-I67 HydrophobicContact CE1-CG2 4.13Å; F47-I67 HydrophobicContact CG-CD1 3.87Å; F47-E70 HydrophobicContact CZ-CB 4.39Å; F47-E70 HydrophobicContact CZ-CG 3.95Å; F47-L74 HydrophobicContact CE2-CD1 3.71Å; F47-L74 HydrophobicContact CZ-CD1 4.48Å; F47-L125 HydrophobicContact CB-CD1 3.97Å; F47-L125 HydrophobicContact CB-CD2 4.2Å; F47-L125 HydrophobicContact CD2-CD1 3.86Å; F47-L125 HydrophobicContact CG-CD1 4.23Å
48	Q	97.9	Very high	95.8	Very high	51 Å²	51	72.1 Å²	72.1	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-44.6	175.9	-74.5	174.8	-38	0	0	111.7	T44 K45 Q46 L51 A52 L125	T44-Q48 WeakPolarHBondContact O-CG 3.47Å; T44-Q48 PolarHBondContact O-N 3.19Å; K45-Q48 PolarHBondContact O-N 2.82Å; Q46-Q48 VanDerWaalsContact C-N 3.34Å; Q46-Q48 PolarHBondContact O-N 3.35Å; Q48-L51 PolarHBondContact O-N 3.44Å; Q48-A52 WeakPolarHBondContact O-CB 3.32Å; Q48-A52 PolarHBondContact O-N 2.92Å; Q48-L125 HydrophobicContact CG-CD2 4.27Å; Q48-L125 WeakPolarHBondContact CG-O 3.49Å
49	T	97.5	Very high	95.7	Very high	83 Å²	83	70.9 Å²	70.9	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-48	175.6	-57	0	0	0	0	111.4	K45 Q46 L51 A52 D53	K45-T49 PolarHBondContact O-N 3.26Å; K45-T49 PolarHBondContact O-OG1 2.92Å; K45-T49 VanDerWaalsContact O-OG1 3.11Å; Q46-T49 PolarHBondContact O-N 3.03Å; T49-L51 VanDerWaalsContact C-N 3.27Å; T49-L51 PolarHBondContact O-N 2.58Å; T49-A52 PolarHBondContact O-N 3.03Å; T49-D53 PolarHBondContact O-N 2.97Å; T49-D53 VanDerWaalsContact O-N 3.08Å
50	E	97.5	Very high	95.7	Very high	58 Å²	58	67.8 Å²	67.8	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-33.9	178.8	-70.2	167.9	168.2	0	0	112.5	Q46 F47 I54 Y63	Q46-E50 HydrophobicContact CG-CG 4.49Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.29Å; Q46-E50 PolarHBondContact NE2-OE1 2.89Å; Q46-E50 VanDerWaalsContact O-CG 3.32Å; Q46-E50 WeakPolarHBondContact O-CG 3.49Å; Q46-E50 PolarHBondContact O-N 2.77Å; F47-E50 PolarHBondContact O-N 2.64Å; E50-I54 WeakPolarHBondContact O-CD1 3.45Å; E50-I54 WeakPolarHBondContact O-CG1 3.41Å; E50-Y63 HydrophobicContact CB-CE1 4.04Å; E50-Y63 PolarHBondContact OE2-OH 3.13Å
51	L	97	Very high	95.6	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-73.3	-37.2	174.8	-80.2	161.1	0	0	0	112.5	F47 Q48 T49 D53 I54 Q60 Y63 L64 L125	F47-L51 WeakPolarHBondContact O-CB 3.39Å; F47-L51 WeakPolarHBondContact O-CD1 3.28Å; F47-L51 WeakPolarHBondContact O-CG 3.38Å; F47-L51 PolarHBondContact O-N 3.42Å; Q48-L51 PolarHBondContact O-N 3.44Å; T49-L51 VanDerWaalsContact C-N 3.27Å; T49-L51 PolarHBondContact O-N 2.58Å; L51-D53 VanDerWaalsContact C-N 3.27Å; L51-D53 PolarHBondContact O-N 2.88Å; L51-I54 HydrophobicContact CD2-CD1 4.46Å; L51-I54 PolarHBondContact O-N 2.67Å; L51-Q60 HydrophobicContact CD2-CB 3.97Å; L51-Q60 HydrophobicContact CD2-CG 4.12Å; L51-Q60 PolarHBondContact O-NE2 3.27Å; L51-Y63 HydrophobicContact CD2-CD1 3.72Å; L51-Y63 HydrophobicContact CD2-CG 4.42Å; L51-Y63 HydrophobicContact CG-CD1 3.84Å; L51-Y63 HydrophobicContact CG-CE1 4.35Å; L51-L64 HydrophobicContact CD1-CD2 3.66Å; L51-L64 HydrophobicContact CD2-CD2 3.99Å; L51-L64 HydrophobicContact CD2-CG 4.24Å; L51-L64 HydrophobicContact CG-CD2 4.47Å; L51-L125 VanDerWaalsContact CD1-C 3.49Å; L51-L125 HydrophobicContact CD1-CB 3.58Å; L51-L125 WeakPolarHBondContact CD1-O 3.25Å
52	A	95.2	Very high	95.6	Very high	77 Å²	77	69.2 Å²	69.2	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-32.4	176.6	0	0	0	0	0	112.1	Q48 T49 I54	Q48-A52 WeakPolarHBondContact O-CB 3.32Å; Q48-A52 PolarHBondContact O-N 2.92Å; T49-A52 PolarHBondContact O-N 3.03Å; A52-I54 PolarHBondContact O-N 3.24Å
53	D	95.6	Very high	95.7	Very high	123 Å²	123	67.5 Å²	67.5	66%	0.658	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.6	177.4	-70.4	-19.1	0	0	0	113.9	T49 L51	T49-D53 PolarHBondContact O-N 2.97Å; T49-D53 VanDerWaalsContact O-N 3.08Å; L51-D53 VanDerWaalsContact C-N 3.27Å; L51-D53 PolarHBondContact O-N 2.88Å
54	I	95.1	Very high	95.7	Very high	35 Å²	35	65 Å²	65	18%	0.179	34%	0.335	C	S	.	.	S	Bend	trans	-95.5	119.4	-177.9	-65.4	168.9	0	0	0	111.3	E50 L51 A52 N56 K59 Q60 Y63	E50-I54 WeakPolarHBondContact O-CD1 3.45Å; E50-I54 WeakPolarHBondContact O-CG1 3.41Å; L51-I54 HydrophobicContact CD2-CD1 4.46Å; L51-I54 PolarHBondContact O-N 2.67Å; A52-I54 PolarHBondContact O-N 3.24Å; I54-N56 VanDerWaalsContact C-N 3.25Å; I54-N56 PolarHBondContact O-N 2.81Å; I54-K59 HydrophobicContact CG2-CB 3.28Å; I54-K59 HydrophobicContact CG2-CD 4.15Å; I54-K59 HydrophobicContact CG2-CG 4.41Å; I54-Q60 HydrophobicContact CB-CG 3.83Å; I54-Q60 HydrophobicContact CG2-CG 3.8Å; I54-Y63 HydrophobicContact CD1-CD1 4.27Å; I54-Y63 HydrophobicContact CD1-CD2 4.33Å; I54-Y63 HydrophobicContact CD1-CG 3.84Å
55	D	89.2	Confident	95.7	Very high	135 Å²	135	69.3 Å²	69.3	72%	0.722	36%	0.358	S	S	*	.	S	Bend	trans	-58.3	-20.3	-170.4	-31.1	-52.2	0	0	0	117.2	K59	D55-K59 IonicContact OD2-NZ 2.83Å; D55-K59 PolarHBondContact OD2-NZ 2.74Å
56	N	91.7	Very high	95.7	Very high	70 Å²	70	70.5 Å²	70.5	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-151.2	156.9	-177	71.8	54.7	0	0	0	114.4	I54 K58 K59 Q60	I54-N56 VanDerWaalsContact C-N 3.25Å; I54-N56 PolarHBondContact O-N 2.81Å; N56-K58 VanDerWaalsContact C-N 3.28Å; N56-K58 PolarHBondContact O-N 3.25Å; N56-K58 PolarHBondContact OD1-N 3.46Å; N56-K59 PolarHBondContact O-N 3.43Å; N56-K59 WeakPolarHBondContact OD1-CG 3.47Å; N56-K59 PolarHBondContact OD1-N 2.96Å; N56-Q60 WeakPolarHBondContact O-CG 3.4Å; N56-Q60 PolarHBondContact O-N 3.45Å
57	V	91.3	Very high	95.7	Very high	65 Å²	65	67 Å²	67	39%	0.394	35%	0.347	S	S	.	.	H	α-helix	trans	-56.8	-37.3	-177.3	170	0	0	0	0	113.2	Q60 N61	V57-Q60 PolarHBondContact O-N 3.05Å; V57-N61 PolarHBondContact O-N 2.86Å; V57-N61 PolarHBondContact O-ND2 2.89Å
58	K	93.8	Very high	95.7	Very high	155 Å²	155	67.1 Å²	67.1	67%	0.674	35%	0.348	S	S	*	.	H	α-helix	trans	-66.5	-48.3	-178.4	-175.4	179.5	178.1	179.9	0	111.2	N56 Q60 N61 D62	N56-K58 VanDerWaalsContact C-N 3.28Å; N56-K58 PolarHBondContact O-N 3.25Å; N56-K58 PolarHBondContact OD1-N 3.46Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3.01Å; K58-N61 WeakPolarHBondContact O-CB 3.43Å; K58-N61 PolarHBondContact O-N 3.45Å; K58-D62 PolarHBondContact O-N 3.05Å
59	K	94.9	Very high	95.8	Very high	99 Å²	99	65.7 Å²	65.7	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-35.9	176.2	-70.3	178.4	-176.4	175.8	0	111.6	I54 D55 N56 N61 D62 Y63	I54-K59 HydrophobicContact CG2-CB 3.28Å; I54-K59 HydrophobicContact CG2-CD 4.15Å; I54-K59 HydrophobicContact CG2-CG 4.41Å; D55-K59 IonicContact OD2-NZ 2.83Å; D55-K59 PolarHBondContact OD2-NZ 2.74Å; N56-K59 PolarHBondContact O-N 3.43Å; N56-K59 WeakPolarHBondContact OD1-CG 3.47Å; N56-K59 PolarHBondContact OD1-N 2.96Å; K59-N61 VanDerWaalsContact C-N 3.33Å; K59-D62 PolarHBondContact O-N 3.26Å; K59-Y63 PolarHBondContact O-N 3.25Å
60	Q	95.3	Very high	95.8	Very high	23 Å²	23	65.1 Å²	65.1	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-45.4	172.7	-76.1	-179.1	-24.4	0	0	110.7	L51 I54 N56 V57 K58 Y63 L64	L51-Q60 HydrophobicContact CD2-CB 3.97Å; L51-Q60 HydrophobicContact CD2-CG 4.12Å; L51-Q60 PolarHBondContact O-NE2 3.27Å; I54-Q60 HydrophobicContact CB-CG 3.83Å; I54-Q60 HydrophobicContact CG2-CG 3.8Å; N56-Q60 WeakPolarHBondContact O-CG 3.4Å; N56-Q60 PolarHBondContact O-N 3.45Å; V57-Q60 PolarHBondContact O-N 3.05Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3.01Å; Q60-Y63 WeakPolarHBondContact O-CA 3.41Å; Q60-Y63 WeakPolarHBondContact O-CB 3.4Å; Q60-Y63 PolarHBondContact O-N 3.45Å; Q60-Y63 VanDerWaalsContact O-N 3.13Å; Q60-L64 WeakPolarHBondContact O-CG 3.45Å; Q60-L64 PolarHBondContact O-N 3.41Å
61	N	95.2	Very high	95.8	Very high	45 Å²	45	62.3 Å²	62.3	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-42.7	176.8	-65.8	-23.3	0	0	0	112.1	V57 K58 K59 Y63 L64 D65 R128	V57-N61 PolarHBondContact O-N 2.86Å; V57-N61 PolarHBondContact O-ND2 2.89Å; K58-N61 WeakPolarHBondContact O-CB 3.43Å; K58-N61 PolarHBondContact O-N 3.45Å; K59-N61 VanDerWaalsContact C-N 3.33Å; N61-Y63 PolarHBondContact O-N 3.18Å; N61-L64 WeakPolarHBondContact O-CB 3.21Å; N61-L64 PolarHBondContact O-N 3.02Å; N61-L64 VanDerWaalsContact O-N 3.13Å; N61-D65 PolarHBondContact O-N 3.19Å; N61-R128 PolarHBondContact OD1-NH2 3.36Å
62	D	96.1	Very high	95.9	Very high	94 Å²	94	62.3 Å²	62.3	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-59.8	-34	174.4	-65.3	-24.2	0	0	0	111.5	K58 K59 K66	K58-D62 PolarHBondContact O-N 3.05Å; K59-D62 PolarHBondContact O-N 3.26Å; D62-K66 PolarHBondContact O-N 2.92Å
63	Y	97.7	Very high	96.1	Very high	39 Å²	39	58.7 Å²	58.7	15%	0.153	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-42.7	174.3	-168.4	-107.8	0	0	0	112.5	E50 L51 I54 K59 Q60 N61 D65 K66 I67	E50-Y63 HydrophobicContact CB-CE1 4.04Å; E50-Y63 PolarHBondContact OE2-OH 3.13Å; L51-Y63 HydrophobicContact CD2-CD1 3.72Å; L51-Y63 HydrophobicContact CD2-CG 4.42Å; L51-Y63 HydrophobicContact CG-CD1 3.84Å; L51-Y63 HydrophobicContact CG-CE1 4.35Å; I54-Y63 HydrophobicContact CD1-CD1 4.27Å; I54-Y63 HydrophobicContact CD1-CD2 4.33Å; I54-Y63 HydrophobicContact CD1-CG 3.84Å; K59-Y63 PolarHBondContact O-N 3.25Å; Q60-Y63 WeakPolarHBondContact O-CA 3.41Å; Q60-Y63 WeakPolarHBondContact O-CB 3.4Å; Q60-Y63 PolarHBondContact O-N 3.45Å; Q60-Y63 VanDerWaalsContact O-N 3.13Å; N61-Y63 PolarHBondContact O-N 3.18Å; Y63-D65 VanDerWaalsContact C-N 3.3Å; Y63-D65 PolarHBondContact O-N 2.9Å; Y63-K66 HydrophobicContact CD2-CD 4.14Å; Y63-K66 HydrophobicContact CE2-CD 4.12Å; Y63-K66 WeakPolarHBondContact O-CA 3.47Å; Y63-K66 WeakPolarHBondContact O-CB 3.45Å; Y63-K66 PolarHBondContact O-N 3.4Å; Y63-I67 HydrophobicContact CD1-CD1 4.23Å; Y63-I67 HydrophobicContact CD1-CG2 4.16Å; Y63-I67 HydrophobicContact CE1-CD1 4.02Å; Y63-I67 HydrophobicContact CE1-CG2 3.6Å; Y63-I67 HydrophobicContact CE2-CG2 4Å; Y63-I67 VanDerWaalsContact CZ-CG2 3.48Å; Y63-I67 WeakPolarHBondContact O-CG1 3.4Å; Y63-I67 PolarHBondContact O-N 2.85Å
64	L	98	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-44.8	174.2	-66.3	179.9	0	0	0	111.3	L51 Q60 N61 K66 I67 L68 L122 L125 A126	L51-L64 HydrophobicContact CD1-CD2 3.66Å; L51-L64 HydrophobicContact CD2-CD2 3.99Å; L51-L64 HydrophobicContact CD2-CG 4.24Å; L51-L64 HydrophobicContact CG-CD2 4.47Å; Q60-L64 WeakPolarHBondContact O-CG 3.45Å; Q60-L64 PolarHBondContact O-N 3.41Å; N61-L64 WeakPolarHBondContact O-CB 3.21Å; N61-L64 PolarHBondContact O-N 3.02Å; N61-L64 VanDerWaalsContact O-N 3.13Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.24Å; L64-I67 HydrophobicContact CD2-CD1 4.33Å; L64-I67 PolarHBondContact O-N 3.47Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 PolarHBondContact O-N 2.83Å; L64-L122 HydrophobicContact CB-CD1 4.19Å; L64-L122 HydrophobicContact CB-CG 4.4Å; L64-L122 HydrophobicContact CD2-CD1 3.87Å; L64-L122 HydrophobicContact CD2-CG 4.39Å; L64-L122 VanDerWaalsContact CD2-O 3.24Å; L64-L122 WeakPolarHBondContact CD2-O 3.48Å; L64-L125 HydrophobicContact CD2-CB 4.45Å; L64-A126 HydrophobicContact CD1-CB 4.49Å
65	D	97.5	Very high	96.3	Very high	90 Å²	90	51.3 Å²	51.3	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-37.2	175.2	-79.5	-32.8	0	0	0	112.3	N61 Y63 H99	N61-D65 PolarHBondContact O-N 3.19Å; Y63-D65 VanDerWaalsContact C-N 3.3Å; Y63-D65 PolarHBondContact O-N 2.9Å; D65-H99 IonicContact OD1-CD2 3.73Å; D65-H99 IonicContact OD1-NE2 2.95Å; D65-H99 PolarHBondContact OD1-NE2 3.46Å
66	K	97.7	Very high	96.7	Very high	153 Å²	153	45.7 Å²	45.7	67%	0.665	22%	0.221	S	C	*	.	H	α-helix	trans	-67.7	-46	177.9	178.1	-168.8	170.9	-164.9	0	111.9	D62 Y63 L64 L68	D62-K66 PolarHBondContact O-N 2.92Å; Y63-K66 HydrophobicContact CD2-CD 4.14Å; Y63-K66 HydrophobicContact CE2-CD 4.12Å; Y63-K66 WeakPolarHBondContact O-CA 3.47Å; Y63-K66 WeakPolarHBondContact O-CB 3.45Å; Y63-K66 PolarHBondContact O-N 3.4Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.24Å; K66-L68 VanDerWaalsContact C-N 3.35Å
67	I	97.9	Very high	97	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-84.2	-9.5	-176.6	67	170.5	0	0	0	113.4	F47 Y63 L64 P69 E70 A71 L122 L125	F47-I67 HydrophobicContact CB-CD1 4.17Å; F47-I67 HydrophobicContact CD1-CD1 3.89Å; F47-I67 HydrophobicContact CD1-CG2 4.36Å; F47-I67 HydrophobicContact CD2-CD1 4.28Å; F47-I67 HydrophobicContact CE1-CB 4.28Å; F47-I67 HydrophobicContact CE1-CD1 4.32Å; F47-I67 HydrophobicContact CE1-CG2 4.13Å; F47-I67 HydrophobicContact CG-CD1 3.87Å; Y63-I67 HydrophobicContact CD1-CD1 4.23Å; Y63-I67 HydrophobicContact CD1-CG2 4.16Å; Y63-I67 HydrophobicContact CE1-CD1 4.02Å; Y63-I67 HydrophobicContact CE1-CG2 3.6Å; Y63-I67 HydrophobicContact CE2-CG2 4Å; Y63-I67 VanDerWaalsContact CZ-CG2 3.48Å; Y63-I67 WeakPolarHBondContact O-CG1 3.4Å; Y63-I67 PolarHBondContact O-N 2.85Å; L64-I67 HydrophobicContact CD2-CD1 4.33Å; L64-I67 PolarHBondContact O-N 3.47Å; I67-P69 VanDerWaalsContact C-N 3.34Å; I67-P69 VanDerWaalsContact O-N 3.13Å; I67-E70 PolarHBondContact O-N 2.77Å; I67-A71 PolarHBondContact O-N 2.92Å; I67-L122 HydrophobicContact CD1-CD1 4.16Å; I67-L122 HydrophobicContact CG1-CD1 3.9Å; I67-L125 HydrophobicContact CD1-CD1 3.9Å
68	L	98.5	Very high	97.3	Very high	6 Å²	6	40 Å²	40	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-43.4	-49.6	-177	175.9	163.3	0	0	0	113.8	V25 L64 K66 E70 A71 Y72 I96 L122	V25-L68 HydrophobicContact CG2-CD2 4.49Å; L64-L68 WeakPolarHBondContact O-CB 3.48Å; L64-L68 PolarHBondContact O-N 2.83Å; K66-L68 VanDerWaalsContact C-N 3.35Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.44Å; L68-A71 PolarHBondContact O-N 2.89Å; L68-Y72 HydrophobicContact CD2-CD2 4.37Å; L68-Y72 HydrophobicContact CD2-CG 4.39Å; L68-Y72 HydrophobicContact CG-CD1 4.22Å; L68-Y72 HydrophobicContact CG-CE1 4.09Å; L68-Y72 WeakPolarHBondContact O-CB 3.36Å; L68-Y72 WeakPolarHBondContact O-CD1 3.49Å; L68-Y72 PolarHBondContact O-N 3.49Å; L68-I96 HydrophobicContact CD1-CG1 4.3Å; L68-I96 HydrophobicContact CD1-CG2 4.36Å; L68-I96 HydrophobicContact CD2-CD1 4.36Å; L68-I96 HydrophobicContact CD2-CG1 4.07Å; L68-L122 HydrophobicContact CB-CD2 3.76Å; L68-L122 HydrophobicContact CD1-CD2 4.02Å; L68-L122 HydrophobicContact CG-CD2 3.81Å
69	P	98.4	Very high	97.5	Very high	21 Å²	21	32.6 Å²	32.6	14%	0.136	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-38.6	-179.1	-24.3	35.5	0	0	0	113.8	K24 V25 L28 I67 A73	K24-P69 HydrophobicContact CB-CB 4.19Å; K24-P69 HydrophobicContact CB-CG 4.41Å; V25-P69 HydrophobicContact CG2-CB 4.2Å; L28-P69 HydrophobicContact CD1-CB 4.08Å; I67-P69 VanDerWaalsContact C-N 3.34Å; I67-P69 VanDerWaalsContact O-N 3.13Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 3.18Å; P69-A73 VanDerWaalsContact O-N 3.14Å
70	E	98.1	Very high	97.6	Very high	70 Å²	70	31.7 Å²	31.7	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-73.9	-45.3	179.3	-171.4	175.6	177.4	0	0	110.8	L28 K43 F47 I67 L68 Y72 A73 L74	L28-E70 HydrophobicContact CD1-CB 4.33Å; K43-E70 WeakPolarHBondContact CE-OE1 3.12Å; K43-E70 IonicContact NZ-OE1 3.59Å; K43-E70 PolarHBondContact NZ-OE1 2.82Å; F47-E70 HydrophobicContact CZ-CB 4.39Å; F47-E70 HydrophobicContact CZ-CG 3.95Å; I67-E70 PolarHBondContact O-N 2.77Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.44Å; E70-Y72 VanDerWaalsContact C-N 3.34Å; E70-Y72 PolarHBondContact O-N 2.86Å; E70-A73 PolarHBondContact O-N 3Å; E70-L74 WeakPolarHBondContact O-CG 3.14Å; E70-L74 PolarHBondContact O-N 3.34Å
71	A	98.3	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-45.6	175.9	0	0	0	0	0	111.8	I67 L68 A73 L74 V75 Y121 L122 L125	I67-A71 PolarHBondContact O-N 2.92Å; L68-A71 PolarHBondContact O-N 2.89Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 3.24Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.03Å; A71-V75 WeakPolarHBondContact O-CG2 3.36Å; A71-V75 PolarHBondContact O-N 3.3Å; A71-V75 VanDerWaalsContact O-N 3.14Å; A71-Y121 HydrophobicContact CB-CD1 4.27Å; A71-Y121 HydrophobicContact CB-CE1 3.91Å; A71-L122 HydrophobicContact CB-CD1 3.78Å; A71-L125 HydrophobicContact CB-CD1 4.47Å
72	Y	98.6	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-32.8	178.8	-81.5	31.7	0	0	0	112.1	L68 E70 L74 V75 R76 I92 G95 I96 M118 P119 L122	L68-Y72 HydrophobicContact CD2-CD2 4.37Å; L68-Y72 HydrophobicContact CD2-CG 4.39Å; L68-Y72 HydrophobicContact CG-CD1 4.22Å; L68-Y72 HydrophobicContact CG-CE1 4.09Å; L68-Y72 WeakPolarHBondContact O-CB 3.36Å; L68-Y72 WeakPolarHBondContact O-CD1 3.49Å; L68-Y72 PolarHBondContact O-N 3.49Å; E70-Y72 VanDerWaalsContact C-N 3.34Å; E70-Y72 PolarHBondContact O-N 2.86Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; Y72-V75 PolarHBondContact O-N 3.05Å; Y72-R76 VanDerWaalsContact O-CG 3.3Å; Y72-R76 WeakPolarHBondContact O-CG 3.44Å; Y72-R76 PolarHBondContact O-N 3.28Å; Y72-I92 HydrophobicContact CD2-CG2 4.16Å; Y72-G95 PolarHBondContact OH-O 3.42Å; Y72-I96 HydrophobicContact CD2-CG1 4.31Å; Y72-I96 HydrophobicContact CE2-CG1 3.71Å; Y72-M118 HydrophobicContact CD1-CB 3.93Å; Y72-M118 HydrophobicContact CD2-CB 3.77Å; Y72-M118 HydrophobicContact CD2-CG 4.17Å; Y72-M118 HydrophobicContact CD2-SD 3.79Å; Y72-M118 HydrophobicContact CE1-CB 3.83Å; Y72-M118 WeakPolarHBondContact CE1-O 3.45Å; Y72-M118 HydrophobicContact CE2-CB 3.67Å; Y72-M118 HydrophobicContact CE2-CG 4.49Å; Y72-M118 HydrophobicContact CE2-SD 4.27Å; Y72-M118 HydrophobicContact CG-CB 3.9Å; Y72-M118 HydrophobicContact CG-CG 4.27Å; Y72-M118 HydrophobicContact CG-SD 4.3Å; Y72-P119 WeakPolarHBondContact OH-CA 3.17Å; Y72-L122 HydrophobicContact CD1-CB 4.46Å; Y72-L122 HydrophobicContact CD1-CD2 4.36Å; Y72-L122 HydrophobicContact CE1-CB 3.89Å; Y72-L122 HydrophobicContact CE1-CD2 3.67Å; Y72-L122 HydrophobicContact CE1-CG 4.42Å
73	A	98.4	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-39.9	174.9	0	0	0	0	0	111.3	V25 L28 P69 E70 A71 R76 E77	V25-A73 HydrophobicContact CG1-CB 4.33Å; L28-A73 HydrophobicContact CB-CB 3.77Å; L28-A73 HydrophobicContact CD1-CB 4.38Å; P69-A73 WeakPolarHBondContact O-CB 3.39Å; P69-A73 PolarHBondContact O-N 3.18Å; P69-A73 VanDerWaalsContact O-N 3.14Å; E70-A73 PolarHBondContact O-N 3Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 3.24Å; A73-R76 PolarHBondContact O-N 3.49Å; A73-E77 PolarHBondContact O-N 3.46Å
74	L	98.1	Very high	97.7	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-45	173.6	-66.5	168.5	0	0	0	111.8	T32 L35 I40 K43 F47 E70 A71 Y72 R76 E77 G78	T32-L74 HydrophobicContact CG2-CD2 3.8Å; T32-L74 HydrophobicContact CG2-CG 4.43Å; L35-L74 HydrophobicContact CD1-CD2 4.03Å; I40-L74 HydrophobicContact CB-CD2 4.44Å; I40-L74 HydrophobicContact CG1-CD2 4.09Å; I40-L74 HydrophobicContact CG2-CD2 4.18Å; K43-L74 HydrophobicContact CB-CD1 3.77Å; K43-L74 HydrophobicContact CB-CD2 4.44Å; K43-L74 HydrophobicContact CG-CD1 4.45Å; F47-L74 HydrophobicContact CE2-CD1 3.71Å; F47-L74 HydrophobicContact CZ-CD1 4.48Å; E70-L74 WeakPolarHBondContact O-CG 3.14Å; E70-L74 PolarHBondContact O-N 3.34Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.03Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.2Å; L74-E77 PolarHBondContact O-N 3.11Å; L74-G78 PolarHBondContact O-N 3.25Å
75	V	98.2	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-41.4	177.2	178.6	0	0	0	0	111.2	A71 Y72 G78 S79 M118 Y121 L150 L154	A71-V75 WeakPolarHBondContact O-CG2 3.36Å; A71-V75 PolarHBondContact O-N 3.3Å; A71-V75 VanDerWaalsContact O-N 3.14Å; Y72-V75 PolarHBondContact O-N 3.05Å; V75-G78 PolarHBondContact O-N 3.18Å; V75-S79 WeakPolarHBondContact O-CB 3.46Å; V75-S79 PolarHBondContact O-N 3.34Å; V75-M118 HydrophobicContact CB-CG 3.98Å; V75-M118 HydrophobicContact CG1-CB 4.4Å; V75-M118 HydrophobicContact CG1-CG 3.64Å; V75-Y121 HydrophobicContact CG2-CD1 3.33Å; V75-Y121 HydrophobicContact CG2-CD2 4.25Å; V75-Y121 HydrophobicContact CG2-CE1 4.07Å; V75-Y121 HydrophobicContact CG2-CG 3.44Å; V75-Y121 VanDerWaalsContact CG2-CG 3.44Å; V75-L150 HydrophobicContact CG1-CD2 4.29Å; V75-L154 HydrophobicContact CB-CD1 4.41Å; V75-L154 HydrophobicContact CG2-CD1 3.89Å
76	R	98	Very high	97.4	Very high	16 Å²	16	39.6 Å²	39.6	6%	0.06	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.5	176.2	-73.8	179.3	73.9	-127.8	-2.6	112.1	E29 Y72 A73 L74 K80 T86 P87 M118	E29-R76 IonicContact OE2-CZ 3.44Å; E29-R76 IonicContact OE2-NH1 3.35Å; E29-R76 PolarHBondContact OE2-NH1 2.95Å; E29-R76 IonicContact OE2-NH2 2.89Å; E29-R76 PolarHBondContact OE2-NH2 2.83Å; Y72-R76 VanDerWaalsContact O-CG 3.3Å; Y72-R76 WeakPolarHBondContact O-CG 3.44Å; Y72-R76 PolarHBondContact O-N 3.28Å; A73-R76 PolarHBondContact O-N 3.49Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.2Å; R76-K80 WeakPolarHBondContact O-CB 3.39Å; R76-K80 PolarHBondContact O-N 3.45Å; R76-T86 VanDerWaalsContact NH2-CG2 3.33Å; R76-P87 HydrophobicContact CB-CG 4.48Å; R76-P87 HydrophobicContact CG-CB 4.06Å; R76-P87 HydrophobicContact CG-CG 3.88Å; R76-P87 PolarHBondContact NE-O 2.81Å; R76-M118 HydrophobicContact CG-SD 4.33Å
77	E	98	Very high	97.4	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-40.4	178	-177.8	58.7	-161.1	0	0	111.5	T32 I40 A73 L74 K80 R81	T32-E77 HydrophobicContact CG2-CB 3.75Å; T32-E77 HydrophobicContact CG2-CG 4.17Å; I40-E77 HydrophobicContact CD1-CG 4.16Å; A73-E77 PolarHBondContact O-N 3.46Å; L74-E77 PolarHBondContact O-N 3.11Å; E77-K80 WeakPolarHBondContact O-CB 3.27Å; E77-K80 PolarHBondContact O-N 3.01Å; E77-R81 WeakPolarHBondContact O-CG 3.24Å; E77-R81 PolarHBondContact O-N 2.79Å; E77-R81 IonicContact OE1-CZ 3.49Å; E77-R81 VanDerWaalsContact OE1-CZ 3.31Å; E77-R81 IonicContact OE1-NE 3.28Å; E77-R81 PolarHBondContact OE1-NE 3.19Å; E77-R81 IonicContact OE1-NH2 3.96Å; E77-R81 PolarHBondContact OE1-NH2 2.82Å
78	G	97.5	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-47.5	173.4	0	0	0	0	0	112.1	L74 V75 K80 R81 V82	L74-G78 PolarHBondContact O-N 3.25Å; V75-G78 PolarHBondContact O-N 3.18Å; G78-K80 VanDerWaalsContact C-N 3.27Å; G78-K80 PolarHBondContact O-N 2.76Å; G78-R81 PolarHBondContact O-N 2.82Å; G78-R81 VanDerWaalsContact O-N 3.08Å; G78-V82 WeakPolarHBondContact O-CB 3.44Å; G78-V82 WeakPolarHBondContact O-CG2 3.42Å; G78-V82 PolarHBondContact O-N 3.42Å
79	S	97.5	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-38	176	174.3	0	0	0	0	112.1	V75 R81 F83 N84 M85 L114 L150	V75-S79 WeakPolarHBondContact O-CB 3.46Å; V75-S79 PolarHBondContact O-N 3.34Å; S79-R81 VanDerWaalsContact C-N 3.35Å; S79-F83 WeakPolarHBondContact O-CA 3.47Å; S79-F83 WeakPolarHBondContact O-CB 3.47Å; S79-F83 PolarHBondContact O-N 3.28Å; S79-N84 PolarHBondContact O-N 2.81Å; S79-M85 CarbonylContact C-O 3.59Å; S79-M85 WeakPolarHBondContact CB-O 3.4Å; S79-M85 PolarHBondContact O-N 3.27Å; S79-M85 PolarHBondContact OG-O 3.15Å; S79-L114 VanDerWaalsContact OG-CD1 3.28Å; S79-L114 WeakPolarHBondContact OG-CD1 3.35Å; S79-L150 VanDerWaalsContact N-CD1 3.33Å
80	K	97.3	Very high	97.2	Very high	80 Å²	80	40.6 Å²	40.6	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-66.3	-37.3	175.8	-177.5	-175.5	174.6	-172.2	0	111.7	R76 E77 G78 N84 M85	R76-K80 WeakPolarHBondContact O-CB 3.39Å; R76-K80 PolarHBondContact O-N 3.45Å; E77-K80 WeakPolarHBondContact O-CB 3.27Å; E77-K80 PolarHBondContact O-N 3.01Å; G78-K80 VanDerWaalsContact C-N 3.27Å; G78-K80 PolarHBondContact O-N 2.76Å; K80-N84 WeakPolarHBondContact O-CA 3.49Å; K80-N84 PolarHBondContact O-N 3.29Å; K80-M85 WeakPolarHBondContact CA-O 3.35Å; K80-M85 PolarHBondContact N-O 2.96Å; K80-M85 VanDerWaalsContact N-O 3.12Å
81	R	97	Very high	97.2	Very high	80 Å²	80	37.5 Å²	37.5	30%	0.302	18%	0.178	S	C	.	.	H	α-helix	trans	-75.3	-42.1	178.9	-69.5	179.4	-169.9	-163.1	4.6	112.8	A33 L35 D37 E77 G78 S79 F153	A33-R81 PolarHBondContact O-NH2 2.79Å; L35-R81 VanDerWaalsContact O-CZ 3.29Å; L35-R81 PolarHBondContact O-NH1 2.96Å; L35-R81 PolarHBondContact O-NH2 3.29Å; D37-R81 WeakPolarHBondContact OD1-CD 3.3Å; D37-R81 IonicContact OD1-CZ 2.71Å; D37-R81 IonicContact OD1-NE 2.61Å; D37-R81 IonicContact OD1-NH1 2.96Å; D37-R81 PolarHBondContact OD1-NH1 2.87Å; E77-R81 WeakPolarHBondContact O-CG 3.24Å; E77-R81 PolarHBondContact O-N 2.79Å; E77-R81 IonicContact OE1-CZ 3.49Å; E77-R81 VanDerWaalsContact OE1-CZ 3.31Å; E77-R81 IonicContact OE1-NE 3.28Å; E77-R81 PolarHBondContact OE1-NE 3.19Å; E77-R81 IonicContact OE1-NH2 3.96Å; E77-R81 PolarHBondContact OE1-NH2 2.82Å; G78-R81 PolarHBondContact O-N 2.82Å; G78-R81 VanDerWaalsContact O-N 3.08Å; S79-R81 VanDerWaalsContact C-N 3.35Å; R81-F153 HydrophobicContact CB-CZ 4.39Å
82	V	96.6	Very high	97.2	Very high	42 Å²	42	37.5 Å²	37.5	26%	0.255	18%	0.178	S	C	.	.	H	α-helix	trans	-81.7	-51.1	-175.7	-179.1	0	0	0	0	111.1	G78 E149 F153	G78-V82 WeakPolarHBondContact O-CB 3.44Å; G78-V82 WeakPolarHBondContact O-CG2 3.42Å; G78-V82 PolarHBondContact O-N 3.42Å; V82-E149 HydrophobicContact CG1-CB 3.68Å; V82-F153 HydrophobicContact CG2-CB 3.76Å; V82-F153 HydrophobicContact CG2-CD1 4.16Å; V82-F153 HydrophobicContact CG2-CD2 4.09Å; V82-F153 HydrophobicContact CG2-CG 3.72Å
83	F	95.5	Very high	97.2	Very high	35 Å²	35	38 Å²	38	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-103.5	-5.1	-173	-54.3	-43.6	0	0	0	114.3	S79 M85 E146 M147 E149 L150	S79-F83 WeakPolarHBondContact O-CA 3.47Å; S79-F83 WeakPolarHBondContact O-CB 3.47Å; S79-F83 PolarHBondContact O-N 3.28Å; F83-M85 HydrophobicContact CB-CB 4.2Å; F83-M85 HydrophobicContact CB-CG 4.12Å; F83-M85 WeakPolarHBondContact O-CG 3.4Å; F83-M85 PolarHBondContact O-N 2.89Å; F83-E146 WeakPolarHBondContact CE1-O 3.47Å; F83-E146 VanDerWaalsContact CZ-O 3.25Å; F83-E146 WeakPolarHBondContact CZ-O 3.18Å; F83-M147 HydrophobicContact CE1-CE 4.44Å; F83-M147 HydrophobicContact CE2-CE 3.64Å; F83-M147 HydrophobicContact CE2-SD 4.21Å; F83-M147 HydrophobicContact CZ-CE 3.61Å; F83-M147 HydrophobicContact CZ-SD 4.47Å; F83-E149 HydrophobicContact CE1-CB 4.17Å; F83-E149 HydrophobicContact CZ-CB 4.48Å; F83-L150 HydrophobicContact CE2-CB 3.63Å; F83-L150 HydrophobicContact CE2-CD2 3.93Å; F83-L150 HydrophobicContact CE2-CG 4.34Å; F83-L150 HydrophobicContact CZ-CB 3.72Å
84	N	96.2	Very high	97.2	Very high	144 Å²	144	37.9 Å²	37.9	77%	0.77	18%	0.179	S	C	*	.	S	Bend	trans	55	30.3	-167.8	-167.2	42.6	0	0	0	112.6	S79 K80	S79-N84 PolarHBondContact O-N 2.81Å; K80-N84 WeakPolarHBondContact O-CA 3.49Å; K80-N84 PolarHBondContact O-N 3.29Å
85	M	94.7	Very high	97.2	Very high	109 Å²	109	37.7 Å²	37.7	54%	0.537	18%	0.178	S	C	.	.			trans	-122	128.4	178.3	-63	-171.1	-169	0	0	109.8	S79 K80 F83 L114	S79-M85 CarbonylContact C-O 3.59Å; S79-M85 WeakPolarHBondContact CB-O 3.4Å; S79-M85 PolarHBondContact O-N 3.27Å; S79-M85 PolarHBondContact OG-O 3.15Å; K80-M85 WeakPolarHBondContact CA-O 3.35Å; K80-M85 PolarHBondContact N-O 2.96Å; K80-M85 VanDerWaalsContact N-O 3.12Å; F83-M85 HydrophobicContact CB-CB 4.2Å; F83-M85 HydrophobicContact CB-CG 4.12Å; F83-M85 WeakPolarHBondContact O-CG 3.4Å; F83-M85 PolarHBondContact O-N 2.89Å; M85-L114 HydrophobicContact CB-CD2 4.11Å
86	T	95.8	Very high	97.2	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.288	18%	0.178	S	C	.	.			trans	-105.5	119.8	173.7	-54.7	0	0	0	0	109.2	R76 Y88	R76-T86 VanDerWaalsContact NH2-CG2 3.33Å; T86-Y88 PolarHBondContact O-N 2.85Å
87	P	97.2	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.176	C	C	.	.			trans	-55.1	128.5	175.7	-25.5	32	0	0	0	112.3	R76 Q91 L114 M118	R76-P87 HydrophobicContact CB-CG 4.48Å; R76-P87 HydrophobicContact CG-CB 4.06Å; R76-P87 HydrophobicContact CG-CG 3.88Å; R76-P87 PolarHBondContact NE-O 2.81Å; P87-Q91 VanDerWaalsContact CA-OE1 3.28Å; P87-Q91 HydrophobicContact CB-CB 4.3Å; P87-L114 HydrophobicContact CG-CD1 4.16Å; P87-L114 HydrophobicContact CG-CD2 4.06Å; P87-L114 HydrophobicContact CG-CG 4.01Å; P87-M118 HydrophobicContact CB-CE 4.18Å; P87-M118 HydrophobicContact CB-SD 4.27Å
88	Y	96.6	Very high	97.1	Very high	115 Å²	115	36.3 Å²	36.3	45%	0.451	17%	0.172	S	C	.	.			trans	-69.7	161.6	177	-57.7	-56.3	0	0	0	111.6	T86 V90 Q91 I92 N401	T86-Y88 PolarHBondContact O-N 2.85Å; Y88-V90 PolarHBondContact O-N 2.91Å; Y88-V90 VanDerWaalsContact O-N 3.15Å; Y88-Q91 VanDerWaalsContact CD2-OE1 3.29Å; Y88-Q91 WeakPolarHBondContact O-CB 3.42Å; Y88-Q91 PolarHBondContact O-N 3.09Å; Y88-I92 WeakPolarHBondContact O-CG1 3.39Å; Y88-I92 PolarHBondContact O-N 3.14Å; Y88-N401 HydrophobicContact CD2-CB 4.43Å
89	K	97.4	Very high	97.2	Very high	78 Å²	78	36.3 Å²	36.3	34%	0.339	17%	0.173	S	C	.	.	H	α-helix	trans	-51.7	-40.9	176.8	-176.8	172.1	178.4	166	0	112.9	A22 D23 I26 Q91 I92 M93	A22-K89 HydrophobicContact CB-CG 3.99Å; D23-K89 VanDerWaalsContact OD1-CE 3.29Å; D23-K89 WeakPolarHBondContact OD1-CE 3.36Å; D23-K89 IonicContact OD1-NZ 2.94Å; D23-K89 PolarHBondContact OD1-NZ 2.96Å; D23-K89 IonicContact OD2-NZ 2.84Å; D23-K89 PolarHBondContact OD2-NZ 2.95Å; I26-K89 HydrophobicContact CD1-CB 3.89Å; I26-K89 HydrophobicContact CD1-CD 4.25Å; I26-K89 HydrophobicContact CD1-CG 4.01Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; K89-I92 WeakPolarHBondContact O-CB 3.37Å; K89-I92 PolarHBondContact O-N 3.3Å; K89-M93 HydrophobicContact CG-SD 4.23Å; K89-M93 VanDerWaalsContact O-CG 3.29Å; K89-M93 WeakPolarHBondContact O-CG 3.48Å; K89-M93 PolarHBondContact O-N 3.49Å
90	V	96.4	Very high	97.1	Very high	14 Å²	14	40.1 Å²	40.1	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-34.8	180	-58.8	0	0	0	0	112.3	Y88 M93 G94 I398 P399 N401	Y88-V90 PolarHBondContact O-N 2.91Å; Y88-V90 VanDerWaalsContact O-N 3.15Å; V90-M93 WeakPolarHBondContact O-CB 3.31Å; V90-M93 PolarHBondContact O-N 2.8Å; V90-G94 PolarHBondContact O-N 3.02Å; V90-I398 HydrophobicContact CB-CG2 3.92Å; V90-I398 VanDerWaalsContact O-CG2 3.25Å; V90-I398 WeakPolarHBondContact O-CG2 3.03Å; V90-P399 WeakPolarHBondContact CB-O 3.22Å; V90-P399 HydrophobicContact CG1-CG 4.07Å; V90-P399 VanDerWaalsContact CG1-O 3.32Å; V90-P399 WeakPolarHBondContact CG1-O 3.36Å; V90-N401 HydrophobicContact CG2-CB 3.93Å
91	Q	98	Very high	97	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-40.7	174.2	-63.5	176.6	-63.3	0	0	110.6	P87 Y88 K89 M93 G94 G95 M106 E110 G111 T115 M118	P87-Q91 VanDerWaalsContact CA-OE1 3.28Å; P87-Q91 HydrophobicContact CB-CB 4.3Å; Y88-Q91 VanDerWaalsContact CD2-OE1 3.29Å; Y88-Q91 WeakPolarHBondContact O-CB 3.42Å; Y88-Q91 PolarHBondContact O-N 3.09Å; K89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-M93 VanDerWaalsContact C-N 3.3Å; Q91-M93 PolarHBondContact O-N 3.33Å; Q91-G94 PolarHBondContact O-N 3.19Å; Q91-G95 PolarHBondContact O-N 3.1Å; Q91-M106 HydrophobicContact CG-CE 4.09Å; Q91-E110 PolarHBondContact NE2-O 3.16Å; Q91-G111 PolarHBondContact NE2-O 2.74Å; Q91-T115 VanDerWaalsContact CB-OG1 3.26Å; Q91-T115 WeakPolarHBondContact CB-OG1 3.12Å; Q91-T115 WeakPolarHBondContact CG-OG1 3.31Å; Q91-T115 WeakPolarHBondContact O-CG2 3.18Å; Q91-M118 HydrophobicContact CB-CE 4.37Å; Q91-M118 WeakPolarHBondContact O-CE 3.38Å
92	I	98.5	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-45.1	172.8	-59.9	168.3	0	0	0	110.5	A22 V25 I26 Y72 Y88 K89 G94 G95 I96 M118	A22-I92 HydrophobicContact CB-CB 3.98Å; A22-I92 HydrophobicContact CB-CG2 3.58Å; V25-I92 HydrophobicContact CB-CD1 4.39Å; V25-I92 HydrophobicContact CB-CG2 4.09Å; V25-I92 HydrophobicContact CG1-CD1 4.17Å; V25-I92 HydrophobicContact CG1-CG2 4.31Å; V25-I92 HydrophobicContact CG2-CG2 3.87Å; I26-I92 HydrophobicContact CD1-CD1 4.12Å; I26-I92 HydrophobicContact CG1-CD1 3.72Å; Y72-I92 HydrophobicContact CD2-CG2 4.16Å; Y88-I92 WeakPolarHBondContact O-CG1 3.39Å; Y88-I92 PolarHBondContact O-N 3.14Å; K89-I92 WeakPolarHBondContact O-CB 3.37Å; K89-I92 PolarHBondContact O-N 3.3Å; I92-G94 PolarHBondContact O-N 2.94Å; I92-G95 PolarHBondContact O-N 2.92Å; I92-I96 HydrophobicContact CG2-CD1 4Å; I92-I96 VanDerWaalsContact O-CG1 3.24Å; I92-I96 WeakPolarHBondContact O-CG1 3.21Å; I92-I96 PolarHBondContact O-N 2.86Å; I92-M118 HydrophobicContact CG1-SD 4.07Å
93	M	98.2	Very high	97	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.044	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-43.8	176.8	-68.2	166.1	55.8	0	0	112.3	I15 L18 A22 K89 V90 Q91 I96 A97 I398 P399	I15-M93 HydrophobicContact CD1-CE 3.88Å; I15-M93 HydrophobicContact CG2-CE 3.83Å; L18-M93 HydrophobicContact CB-CB 4.04Å; L18-M93 HydrophobicContact CB-CE 4.31Å; L18-M93 HydrophobicContact CB-CG 4Å; A22-M93 HydrophobicContact CB-CG 3.84Å; K89-M93 HydrophobicContact CG-SD 4.23Å; K89-M93 VanDerWaalsContact O-CG 3.29Å; K89-M93 WeakPolarHBondContact O-CG 3.48Å; K89-M93 PolarHBondContact O-N 3.49Å; V90-M93 WeakPolarHBondContact O-CB 3.31Å; V90-M93 PolarHBondContact O-N 2.8Å; Q91-M93 VanDerWaalsContact C-N 3.3Å; Q91-M93 PolarHBondContact O-N 3.33Å; M93-I96 PolarHBondContact O-N 3.28Å; M93-A97 PolarHBondContact O-N 2.98Å; M93-A97 VanDerWaalsContact O-N 3.1Å; M93-I398 HydrophobicContact CB-CD1 4.26Å; M93-P399 HydrophobicContact CE-CG 4.12Å
94	G	97.7	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-44.2	174.9	0	0	0	0	0	112.2	V90 Q91 I92 I96 A97 I98	V90-G94 PolarHBondContact O-N 3.02Å; Q91-G94 PolarHBondContact O-N 3.19Å; I92-G94 PolarHBondContact O-N 2.94Å; G94-I96 VanDerWaalsContact C-N 3.32Å; G94-I96 PolarHBondContact O-N 3.05Å; G94-A97 WeakPolarHBondContact O-CB 3.23Å; G94-A97 PolarHBondContact O-N 2.77Å; G94-A97 VanDerWaalsContact O-N 3.17Å; G94-I98 WeakPolarHBondContact O-CG1 3.43Å; G94-I98 PolarHBondContact O-N 3.49Å
95	G	98.2	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-42.2	176.6	0	0	0	0	0	112.4	Y72 Q91 I92 A97 I98 H99 T115	Y72-G95 PolarHBondContact OH-O 3.42Å; Q91-G95 PolarHBondContact O-N 3.1Å; I92-G95 PolarHBondContact O-N 2.92Å; G95-A97 PolarHBondContact O-N 3.03Å; G95-I98 PolarHBondContact O-N 3.01Å; G95-H99 PolarHBondContact O-N 3.16Å; G95-T115 VanDerWaalsContact N-CG2 3.31Å
96	I	98.4	Very high	97	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-41.7	177.1	-63	163.5	0	0	0	111.1	L18 L21 L68 Y72 I92 M93 G94 I98 H99 K100	L18-I96 HydrophobicContact CD2-CB 3.84Å; L18-I96 HydrophobicContact CD2-CG2 3.38Å; L21-I96 HydrophobicContact CB-CD1 3.63Å; L21-I96 HydrophobicContact CD1-CG2 4.01Å; L68-I96 HydrophobicContact CD1-CG1 4.3Å; L68-I96 HydrophobicContact CD1-CG2 4.36Å; L68-I96 HydrophobicContact CD2-CD1 4.36Å; L68-I96 HydrophobicContact CD2-CG1 4.07Å; Y72-I96 HydrophobicContact CD2-CG1 4.31Å; Y72-I96 HydrophobicContact CE2-CG1 3.71Å; I92-I96 HydrophobicContact CG2-CD1 4Å; I92-I96 VanDerWaalsContact O-CG1 3.24Å; I92-I96 WeakPolarHBondContact O-CG1 3.21Å; I92-I96 PolarHBondContact O-N 2.86Å; M93-I96 PolarHBondContact O-N 3.28Å; G94-I96 VanDerWaalsContact C-N 3.32Å; G94-I96 PolarHBondContact O-N 3.05Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I96-H99 PolarHBondContact O-N 2.94Å; I96-K100 WeakPolarHBondContact O-CG 3.39Å; I96-K100 PolarHBondContact O-N 2.88Å
97	A	97.1	Very high	96.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-43.7	175.6	0	0	0	0	0	111.3	L18 M93 G94 G95 H99 K100 D102 A104	L18-A97 HydrophobicContact CD1-CB 4.18Å; M93-A97 PolarHBondContact O-N 2.98Å; M93-A97 VanDerWaalsContact O-N 3.1Å; G94-A97 WeakPolarHBondContact O-CB 3.23Å; G94-A97 PolarHBondContact O-N 2.77Å; G94-A97 VanDerWaalsContact O-N 3.17Å; G95-A97 PolarHBondContact O-N 3.03Å; A97-H99 PolarHBondContact O-N 2.88Å; A97-K100 WeakPolarHBondContact O-CB 3.28Å; A97-K100 PolarHBondContact O-N 2.81Å; A97-D102 PolarHBondContact O-N 2.69Å; A97-A104 HydrophobicContact CB-CB 4.37Å
98	I	98.2	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-43.3	175.4	-66.3	167.3	0	0	0	111	G94 G95 I96 K100 G101 A104 T115 P119 F209 I211 A374 M376	G94-I98 WeakPolarHBondContact O-CG1 3.43Å; G94-I98 PolarHBondContact O-N 3.49Å; G95-I98 PolarHBondContact O-N 3.01Å; I96-I98 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 2.9Å; I98-G101 PolarHBondContact O-N 3Å; I98-A104 HydrophobicContact CD1-CB 4.14Å; I98-A104 HydrophobicContact CG1-CB 3.85Å; I98-T115 HydrophobicContact CD1-CG2 4.24Å; I98-P119 HydrophobicContact CB-CB 4.14Å; I98-P119 HydrophobicContact CB-CG 3.86Å; I98-P119 HydrophobicContact CD1-CG 4.39Å; I98-P119 HydrophobicContact CG2-CB 3.76Å; I98-P119 HydrophobicContact CG2-CG 3.55Å; I98-F209 HydrophobicContact CG2-CZ 4.19Å; I98-I211 HydrophobicContact CG2-CB 4.42Å; I98-I211 HydrophobicContact CG2-CD1 3.69Å; I98-I211 HydrophobicContact CG2-CG1 3.64Å; I98-I211 HydrophobicContact CG2-CG2 3.95Å; I98-A374 HydrophobicContact CB-CB 4.37Å; I98-A374 HydrophobicContact CG2-CB 3.69Å; I98-A374 WeakPolarHBondContact O-CB 3.32Å; I98-M376 HydrophobicContact CD1-CB 4.25Å; I98-M376 HydrophobicContact CD1-SD 4.37Å
99	H	98	Very high	95	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-30.9	178	176.8	66.6	0	0	0	113.6	D65 G95 I96 A97 G101 P119 L122 N123 K372	D65-H99 IonicContact OD1-CD2 3.73Å; D65-H99 IonicContact OD1-NE2 2.95Å; D65-H99 PolarHBondContact OD1-NE2 3.46Å; G95-H99 PolarHBondContact O-N 3.16Å; I96-H99 PolarHBondContact O-N 2.94Å; A97-H99 PolarHBondContact O-N 2.88Å; H99-G101 PolarHBondContact O-N 2.95Å; H99-P119 HydrophobicContact CB-CB 4.1Å; H99-L122 VanDerWaalsContact CE1-CD2 3.44Å; H99-L122 WeakPolarHBondContact CE1-CD2 3.48Å; H99-L122 WeakPolarHBondContact ND1-CD2 3.35Å; H99-N123 PolarHBondContact ND1-ND2 3Å; H99-K372 WeakPolarHBondContact O-CD 3.34Å; H99-K372 PolarHBondContact O-NZ 3.39Å
100	K	95.8	Very high	94.6	Very high	80 Å²	80	17 Å²	17	35%	0.348	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11	176.6	-71.3	178.6	176.5	-170.1	0	113.9	E14 I96 A97 I98	E14-K100 IonicContact OE1-NZ 3.45Å; E14-K100 PolarHBondContact OE1-NZ 3.28Å; E14-K100 IonicContact OE2-NZ 3.46Å; I96-K100 WeakPolarHBondContact O-CG 3.39Å; I96-K100 PolarHBondContact O-N 2.88Å; A97-K100 WeakPolarHBondContact O-CB 3.28Å; A97-K100 PolarHBondContact O-N 2.81Å; I98-K100 PolarHBondContact O-N 2.9Å
101	G	96.1	Very high	94.3	Very high	11 Å²	11	17.7 Å²	17.7	11%	0.113	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	31.7	-172.5	0	0	0	0	0	113.1	I98 H99 L373	I98-G101 PolarHBondContact O-N 3Å; H99-G101 PolarHBondContact O-N 2.95Å; G101-L373 CarbonylContact C-O 3Å; G101-L373 WeakPolarHBondContact CA-O 3.39Å
102	D	95.8	Very high	94	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.139	10%	0.098	C	C	.	.			trans	-118.9	176.2	179.9	-77.6	-52.3	0	0	0	111.7	A97 G375 T394	A97-D102 PolarHBondContact O-N 2.69Å; D102-G375 PolarHBondContact O-N 3.2Å; D102-T394 WeakPolarHBondContact OD1-CA 3.1Å; D102-T394 WeakPolarHBondContact OD1-CB 3.35Å; D102-T394 PolarHBondContact OD1-N 3.23Å; D102-T394 PolarHBondContact OD1-OG1 3.33Å; D102-T394 PolarHBondContact OD2-OG1 3.12Å
103	I	97.4	Very high	93.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.4	175.9	-59	176.3	0	0	0	110	E105 V215 G375 T377 A380 F387 M393 T394 V395 T396	I103-E105 PolarHBondContact O-N 3.42Å; I103-V215 HydrophobicContact CD1-CG1 3.94Å; I103-V215 HydrophobicContact CD1-CG2 4.24Å; I103-V215 HydrophobicContact CG1-CG1 4.14Å; I103-V215 HydrophobicContact CG2-CG1 3.73Å; I103-G375 WeakPolarHBondContact CA-O 3.46Å; I103-T377 HydrophobicContact CG2-CG2 4.01Å; I103-A380 HydrophobicContact CG2-CB 3.81Å; I103-F387 HydrophobicContact CD1-CB 4.04Å; I103-F387 HydrophobicContact CD1-CD1 3.35Å; I103-F387 HydrophobicContact CD1-CD2 3.68Å; I103-F387 HydrophobicContact CD1-CE1 3.52Å; I103-F387 HydrophobicContact CD1-CE2 3.85Å; I103-F387 HydrophobicContact CD1-CG 3.42Å; I103-F387 VanDerWaalsContact CD1-CG 3.42Å; I103-F387 HydrophobicContact CD1-CZ 3.76Å; I103-M393 HydrophobicContact CD1-CB 4.36Å; I103-M393 HydrophobicContact CD1-CE 4.14Å; I103-M393 HydrophobicContact CD1-SD 4.35Å; I103-M393 HydrophobicContact CG1-CB 4.28Å; I103-M393 HydrophobicContact CG1-CE 3.47Å; I103-M393 VanDerWaalsContact CG1-CE 3.47Å; I103-M393 HydrophobicContact CG1-SD 4.29Å; I103-T394 PolarHBondContact N-O 3.3Å; I103-V395 HydrophobicContact CB-CG2 4.24Å; I103-V395 HydrophobicContact CD1-CG2 4.21Å; I103-V395 HydrophobicContact CG2-CG1 4.44Å; I103-T396 PolarHBondContact O-N 3.26Å
104	A	97.3	Very high	93.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	104.2	166	0	0	0	0	0	109.7	A97 I98 M106 G375 M376 T377 I398	A97-A104 HydrophobicContact CB-CB 4.37Å; I98-A104 HydrophobicContact CD1-CB 4.14Å; I98-A104 HydrophobicContact CG1-CB 3.85Å; A104-M106 HydrophobicContact CB-CG 4.3Å; A104-M106 PolarHBondContact O-N 3.01Å; A104-G375 PolarHBondContact N-O 3.35Å; A104-M376 WeakPolarHBondContact O-CA 3.3Å; A104-T377 PolarHBondContact O-N 3.34Å; A104-I398 HydrophobicContact CB-CG1 4.28Å
105	E	95.7	Very high	93.6	Very high	25 Å²	25	20.7 Å²	20.7	12%	0.117	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	108	167.6	-179.4	-178.4	108.4	0	0	109	I103 T377 A380 K381 V395 T396 Q397 I398	I103-E105 PolarHBondContact O-N 3.42Å; E105-T377 CarbonylContact C-O 3.56Å; E105-T377 VanDerWaalsContact CA-O 3.31Å; E105-T377 WeakPolarHBondContact CA-O 3.48Å; E105-A380 PolarHBondContact OE2-N 3.25Å; E105-K381 VanDerWaalsContact OE2-CB 3.27Å; E105-K381 WeakPolarHBondContact OE2-CB 3.45Å; E105-K381 PolarHBondContact OE2-N 3.24Å; E105-V395 HydrophobicContact CB-CG1 3.9Å; E105-T396 PolarHBondContact N-O 3.4Å; E105-Q397 HydrophobicContact CB-CG 4.37Å; E105-Q397 WeakPolarHBondContact OE1-CG 3.35Å; E105-Q397 PolarHBondContact OE1-NE2 3.5Å; E105-I398 PolarHBondContact O-N 3.42Å
106	M	93.8	Very high	93.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.114	C	C	.	.			trans	-124.1	124.3	178.1	-59.8	-173.2	70	0	0	108.7	Q91 A104 E110 K112 T115 T377 G378 I398	Q91-M106 HydrophobicContact CG-CE 4.09Å; A104-M106 HydrophobicContact CB-CG 4.3Å; A104-M106 PolarHBondContact O-N 3.01Å; M106-E110 HydrophobicContact CB-CB 4.26Å; M106-E110 HydrophobicContact CE-CB 3.99Å; M106-K112 HydrophobicContact CB-CG 4.27Å; M106-K112 WeakPolarHBondContact O-CE 3.49Å; M106-T115 HydrophobicContact CE-CG2 4.48Å; M106-T115 WeakPolarHBondContact CE-OG1 3.33Å; M106-T115 HydrophobicContact SD-CG2 3.73Å; M106-T377 PolarHBondContact N-O 2.87Å; M106-T377 VanDerWaalsContact O-O 3.06Å; M106-G378 VanDerWaalsContact O-CA 3.27Å; M106-G378 WeakPolarHBondContact O-CA 3.49Å; M106-I398 HydrophobicContact CE-CG2 4.35Å; M106-I398 HydrophobicContact CG-CB 3.91Å; M106-I398 HydrophobicContact CG-CG1 3.9Å; M106-I398 HydrophobicContact CG-CG2 4.35Å
107	R	87.8	Confident	93.5	Very high	129 Å²	129	20.8 Å²	20.8	49%	0.487	11%	0.114	S	C	.	.			trans	-52.5	149.5	179.4	-66.5	-164.1	-179.9	175.8	-6.7	111.3	G109 E110 T400	R107-G109 PolarHBondContact O-N 3.2Å; R107-E110 HydrophobicContact CB-CG 3.97Å; R107-E110 VanDerWaalsContact O-CB 3.26Å; R107-E110 WeakPolarHBondContact O-CB 3.21Å; R107-E110 WeakPolarHBondContact O-CG 3.27Å; R107-E110 PolarHBondContact O-N 3.36Å; R107-T400 HydrophobicContact CB-CG2 4.29Å; R107-T400 HydrophobicContact CG-CG2 3.98Å
108	T	80.6	Confident	93.6	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.117	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.9	175.9	42.5	0	0	0	0	110.8	G530	T108-G530 VanDerWaalsContact OG1-CA 3.25Å; T108-G530 WeakPolarHBondContact OG1-CA 3.18Å; T108-G530 PolarHBondContact OG1-O 3.18Å
109	G	79.6	Confident	93.6	Very high	25 Å²	25	20.8 Å²	20.8	26%	0.258	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	1.6	-175	0	0	0	0	0	115.5	R107 G111 Q535	R107-G109 PolarHBondContact O-N 3.2Å; G109-G111 PolarHBondContact O-N 2.77Å; G109-Q535 PolarHBondContact O-NE2 3.03Å
110	E	88.6	Confident	93.6	Very high	7 Å²	7	20.7 Å²	20.7	3%	0.033	11%	0.113	C	C	.	.	S	Bend	trans	-80	9.5	174.4	-64.1	-67.5	159.7	0	0	113.9	Q91 M106 R107 T400 N401 Q535	Q91-E110 PolarHBondContact NE2-O 3.16Å; M106-E110 HydrophobicContact CB-CB 4.26Å; M106-E110 HydrophobicContact CE-CB 3.99Å; R107-E110 HydrophobicContact CB-CG 3.97Å; R107-E110 VanDerWaalsContact O-CB 3.26Å; R107-E110 WeakPolarHBondContact O-CB 3.21Å; R107-E110 WeakPolarHBondContact O-CG 3.27Å; R107-E110 PolarHBondContact O-N 3.36Å; E110-T400 VanDerWaalsContact OE1-CB 3.28Å; E110-T400 WeakPolarHBondContact OE1-CB 3.42Å; E110-T400 WeakPolarHBondContact OE1-CG2 3.48Å; E110-N401 WeakPolarHBondContact OE2-CB 3.18Å; E110-N401 PolarHBondContact OE2-N 3.45Å; E110-Q535 PolarHBondContact OE2-NE2 2.82Å
111	G	89.4	Confident	93.8	Very high	29 Å²	29	16.9 Å²	16.9	30%	0.299	10%	0.097	S	C	.	.			trans	69.5	58.9	179.2	0	0	0	0	0	113.1	Q91 G109 T115	Q91-G111 PolarHBondContact NE2-O 2.74Å; G109-G111 PolarHBondContact O-N 2.77Å; G111-T115 WeakPolarHBondContact O-CB 3.33Å; G111-T115 PolarHBondContact O-N 3.07Å; G111-T115 PolarHBondContact O-OG1 2.92Å
112	K	92.7	Very high	93.9	Very high	18 Å²	18	16.4 Å²	16.4	8%	0.078	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-47.9	177.1	-66.3	-175.4	-167.1	170.3	0	112.3	M106 L114 T115 A116 E214 M376 T377	M106-K112 HydrophobicContact CB-CG 4.27Å; M106-K112 WeakPolarHBondContact O-CE 3.49Å; K112-L114 PolarHBondContact O-N 2.94Å; K112-T115 WeakPolarHBondContact O-CA 3.18Å; K112-T115 VanDerWaalsContact O-CB 3.23Å; K112-T115 WeakPolarHBondContact O-CB 3.22Å; K112-T115 PolarHBondContact O-N 3.47Å; K112-A116 PolarHBondContact O-N 2.8Å; K112-E214 IonicContact NZ-OE1 3.58Å; K112-E214 PolarHBondContact NZ-OE1 3.28Å; K112-E214 IonicContact NZ-OE2 3.22Å; K112-E214 PolarHBondContact NZ-OE2 2.91Å; K112-M376 HydrophobicContact CB-CE 4.15Å; K112-M376 HydrophobicContact CB-CG 4.39Å; K112-M376 HydrophobicContact CB-SD 3.7Å; K112-M376 HydrophobicContact CD-CG 4.41Å; K112-M376 VanDerWaalsContact O-SD 3.4Å; K112-T377 VanDerWaalsContact CE-C 3.5Å; K112-T377 VanDerWaalsContact NZ-C 3.31Å
113	T	92.1	Very high	94	Very high	40 Å²	40	15.6 Å²	15.6	25%	0.245	9%	0.087	C	C	.	.	H	α-helix	trans	-55.5	-50.4	178.2	-47.6	0	0	0	0	111.5	T115 A116 T117 Q143 M147	T113-T115 VanDerWaalsContact C-N 3.3Å; T113-T115 PolarHBondContact O-N 2.86Å; T113-A116 PolarHBondContact O-N 3.45Å; T113-T117 PolarHBondContact O-N 3.47Å; T113-Q143 HydrophobicContact CG2-CG 4.28Å; T113-M147 HydrophobicContact CG2-CG 4.17Å; T113-M147 HydrophobicContact CG2-SD 4.04Å
114	L	94.9	Very high	94.1	Very high	20 Å²	20	15.6 Å²	15.6	11%	0.105	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-36.6	176.1	-177.5	59.1	0	0	0	112.1	S79 M85 P87 K112 A116 T117	S79-L114 VanDerWaalsContact OG-CD1 3.28Å; S79-L114 WeakPolarHBondContact OG-CD1 3.35Å; M85-L114 HydrophobicContact CB-CD2 4.11Å; P87-L114 HydrophobicContact CG-CD1 4.16Å; P87-L114 HydrophobicContact CG-CD2 4.06Å; P87-L114 HydrophobicContact CG-CG 4.01Å; K112-L114 PolarHBondContact O-N 2.94Å; L114-A116 PolarHBondContact O-N 3.16Å; L114-T117 PolarHBondContact O-N 3.06Å; L114-T117 PolarHBondContact O-OG1 3.45Å
115	T	97.4	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-43.4	174.9	-61.4	0	0	0	0	112.5	Q91 G95 I98 M106 G111 K112 T113 T117 M118 P119	Q91-T115 VanDerWaalsContact CB-OG1 3.26Å; Q91-T115 WeakPolarHBondContact CB-OG1 3.12Å; Q91-T115 WeakPolarHBondContact CG-OG1 3.31Å; Q91-T115 WeakPolarHBondContact O-CG2 3.18Å; G95-T115 VanDerWaalsContact N-CG2 3.31Å; I98-T115 HydrophobicContact CD1-CG2 4.24Å; M106-T115 HydrophobicContact CE-CG2 4.48Å; M106-T115 WeakPolarHBondContact CE-OG1 3.33Å; M106-T115 HydrophobicContact SD-CG2 3.73Å; G111-T115 WeakPolarHBondContact O-CB 3.33Å; G111-T115 PolarHBondContact O-N 3.07Å; G111-T115 PolarHBondContact O-OG1 2.92Å; K112-T115 WeakPolarHBondContact O-CA 3.18Å; K112-T115 VanDerWaalsContact O-CB 3.23Å; K112-T115 WeakPolarHBondContact O-CB 3.22Å; K112-T115 PolarHBondContact O-N 3.47Å; T113-T115 VanDerWaalsContact C-N 3.3Å; T113-T115 PolarHBondContact O-N 2.86Å; T115-T117 PolarHBondContact O-N 2.92Å; T115-M118 WeakPolarHBondContact O-CE 3.46Å; T115-P119 WeakPolarHBondContact O-CD 3.45Å
116	A	97.4	Very high	94.1	Very high	4 Å²	4	15 Å²	15	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-24.7	-178.6	0	0	0	0	0	113	K112 T113 L114 M118 P119 T120 M376	K112-A116 PolarHBondContact O-N 2.8Å; T113-A116 PolarHBondContact O-N 3.45Å; L114-A116 PolarHBondContact O-N 3.16Å; A116-M118 VanDerWaalsContact C-N 3.27Å; A116-M118 PolarHBondContact O-N 2.76Å; A116-P119 WeakPolarHBondContact O-CD 3.24Å; A116-P119 VanDerWaalsContact O-CG 3.27Å; A116-P119 WeakPolarHBondContact O-CG 3.34Å; A116-T120 WeakPolarHBondContact O-CB 3.32Å; A116-T120 PolarHBondContact O-N 3.27Å; A116-T120 VanDerWaalsContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.39Å; A116-M376 HydrophobicContact CB-CE 3.86Å; A116-M376 HydrophobicContact CB-SD 3.92Å
117	T	98.2	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58	-38.6	-178	64.7	0	0	0	0	113.9	T113 L114 T115 Y121 M147 L150 Y151	T113-T117 PolarHBondContact O-N 3.47Å; L114-T117 PolarHBondContact O-N 3.06Å; L114-T117 PolarHBondContact O-OG1 3.45Å; T115-T117 PolarHBondContact O-N 2.92Å; T117-Y121 WeakPolarHBondContact O-CB 3.47Å; T117-Y121 PolarHBondContact O-N 3.26Å; T117-M147 HydrophobicContact CG2-CG 4.43Å; T117-M147 HydrophobicContact CG2-SD 3.44Å; T117-M147 WeakPolarHBondContact CG2-SD 3.43Å; T117-L150 HydrophobicContact CG2-CD2 3.89Å; T117-Y151 WeakPolarHBondContact CA-OH 3Å
118	M	98.6	Very high	94.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-55.4	-178.4	-66.7	173.8	-72.5	0	0	113.7	Y72 V75 R76 P87 Q91 I92 T115 A116 T120 Y121 L122	Y72-M118 HydrophobicContact CD1-CB 3.93Å; Y72-M118 HydrophobicContact CD2-CB 3.77Å; Y72-M118 HydrophobicContact CD2-CG 4.17Å; Y72-M118 HydrophobicContact CD2-SD 3.79Å; Y72-M118 HydrophobicContact CE1-CB 3.83Å; Y72-M118 WeakPolarHBondContact CE1-O 3.45Å; Y72-M118 HydrophobicContact CE2-CB 3.67Å; Y72-M118 HydrophobicContact CE2-CG 4.49Å; Y72-M118 HydrophobicContact CE2-SD 4.27Å; Y72-M118 HydrophobicContact CG-CB 3.9Å; Y72-M118 HydrophobicContact CG-CG 4.27Å; Y72-M118 HydrophobicContact CG-SD 4.3Å; V75-M118 HydrophobicContact CB-CG 3.98Å; V75-M118 HydrophobicContact CG1-CB 4.4Å; V75-M118 HydrophobicContact CG1-CG 3.64Å; R76-M118 HydrophobicContact CG-SD 4.33Å; P87-M118 HydrophobicContact CB-CE 4.18Å; P87-M118 HydrophobicContact CB-SD 4.27Å; Q91-M118 HydrophobicContact CB-CE 4.37Å; Q91-M118 WeakPolarHBondContact O-CE 3.38Å; I92-M118 HydrophobicContact CG1-SD 4.07Å; T115-M118 WeakPolarHBondContact O-CE 3.46Å; A116-M118 VanDerWaalsContact C-N 3.27Å; A116-M118 PolarHBondContact O-N 2.76Å; M118-T120 VanDerWaalsContact C-N 3.35Å; M118-Y121 PolarHBondContact O-N 2.82Å; M118-L122 PolarHBondContact O-N 2.98Å; M118-L122 VanDerWaalsContact O-N 3.09Å
119	P	98.5	Very high	95.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-32.3	175.9	25.7	-35	0	0	0	113.1	Y72 I98 H99 T115 A116 N123 I211	Y72-P119 WeakPolarHBondContact OH-CA 3.17Å; I98-P119 HydrophobicContact CB-CB 4.14Å; I98-P119 HydrophobicContact CB-CG 3.86Å; I98-P119 HydrophobicContact CD1-CG 4.39Å; I98-P119 HydrophobicContact CG2-CB 3.76Å; I98-P119 HydrophobicContact CG2-CG 3.55Å; H99-P119 HydrophobicContact CB-CB 4.1Å; T115-P119 WeakPolarHBondContact O-CD 3.45Å; A116-P119 WeakPolarHBondContact O-CD 3.24Å; A116-P119 VanDerWaalsContact O-CG 3.27Å; A116-P119 WeakPolarHBondContact O-CG 3.34Å; P119-N123 PolarHBondContact O-N 2.76Å; P119-N123 PolarHBondContact O-ND2 3.3Å; P119-I211 HydrophobicContact CB-CD1 4.24Å; P119-I211 HydrophobicContact CG-CD1 4.02Å
120	T	98.6	Very high	96.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-53.7	174.1	-55.5	0	0	0	0	110.3	A116 M118 L122 N123 A124 V130 V132 Y151 I178 I211	A116-T120 WeakPolarHBondContact O-CB 3.32Å; A116-T120 PolarHBondContact O-N 3.27Å; A116-T120 VanDerWaalsContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.39Å; M118-T120 VanDerWaalsContact C-N 3.35Å; T120-L122 PolarHBondContact O-N 3.36Å; T120-N123 PolarHBondContact O-N 2.83Å; T120-A124 WeakPolarHBondContact O-CB 3.28Å; T120-A124 PolarHBondContact O-N 3.24Å; T120-V130 HydrophobicContact CG2-CB 4.28Å; T120-V130 HydrophobicContact CG2-CG1 3.85Å; T120-V132 HydrophobicContact CG2-CG2 3.86Å; T120-Y151 WeakPolarHBondContact CB-OH 3.46Å; T120-Y151 HydrophobicContact CG2-CE1 4.12Å; T120-Y151 WeakPolarHBondContact CG2-OH 3.43Å; T120-Y151 PolarHBondContact OG1-OH 3.41Å; T120-I178 HydrophobicContact CG2-CB 4.36Å; T120-I178 HydrophobicContact CG2-CD1 3.65Å; T120-I178 HydrophobicContact CG2-CG1 3.69Å; T120-I178 HydrophobicContact CG2-CG2 3.69Å; T120-I211 VanDerWaalsContact OG1-CD1 3.27Å; T120-I211 WeakPolarHBondContact OG1-CD1 3.42Å
121	Y	98.7	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.8	-51.6	178.2	170.4	-96.9	0	0	0	111.2	T44 A71 V75 T117 M118 N123 A124 L125 L154 L156	T44-Y121 HydrophobicContact CG2-CE2 3.96Å; T44-Y121 PolarHBondContact OG1-OH 3.41Å; A71-Y121 HydrophobicContact CB-CD1 4.27Å; A71-Y121 HydrophobicContact CB-CE1 3.91Å; V75-Y121 HydrophobicContact CG2-CD1 3.33Å; V75-Y121 HydrophobicContact CG2-CD2 4.25Å; V75-Y121 HydrophobicContact CG2-CE1 4.07Å; V75-Y121 HydrophobicContact CG2-CG 3.44Å; V75-Y121 VanDerWaalsContact CG2-CG 3.44Å; T117-Y121 WeakPolarHBondContact O-CB 3.47Å; T117-Y121 PolarHBondContact O-N 3.26Å; M118-Y121 PolarHBondContact O-N 2.82Å; Y121-N123 PolarHBondContact O-N 2.87Å; Y121-A124 PolarHBondContact O-N 3.22Å; Y121-L125 HydrophobicContact CD1-CD1 4.45Å; Y121-L125 HydrophobicContact CE1-CD1 3.91Å; Y121-L125 HydrophobicContact CE1-CD2 4.31Å; Y121-L125 HydrophobicContact CE1-CG 4.31Å; Y121-L125 HydrophobicContact CE2-CD2 4.09Å; Y121-L125 WeakPolarHBondContact O-CG 3.26Å; Y121-L125 PolarHBondContact O-N 3.44Å; Y121-L154 HydrophobicContact CD2-CB 4.06Å; Y121-L154 HydrophobicContact CD2-CD1 3.68Å; Y121-L154 HydrophobicContact CD2-CG 4.44Å; Y121-L154 HydrophobicContact CE2-CB 3.79Å; Y121-L154 HydrophobicContact CE2-CD1 4.03Å; Y121-L154 HydrophobicContact CE2-CG 4.36Å; Y121-L154 HydrophobicContact CG-CD1 4.22Å; Y121-L156 HydrophobicContact CD2-CD1 3.47Å; Y121-L156 VanDerWaalsContact CD2-CD1 3.47Å; Y121-L156 HydrophobicContact CD2-CG 4.16Å; Y121-L156 HydrophobicContact CE2-CD1 4.06Å; Y121-L156 HydrophobicContact CE2-CG 4.31Å; Y121-L156 HydrophobicContact CG-CD1 4.32Å
122	L	98.7	Very high	97.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.6	-45.9	-177.3	176.3	61.7	0	0	0	112.4	L64 I67 L68 A71 Y72 H99 M118 T120 L125	L64-L122 HydrophobicContact CB-CD1 4.19Å; L64-L122 HydrophobicContact CB-CG 4.4Å; L64-L122 HydrophobicContact CD2-CD1 3.87Å; L64-L122 HydrophobicContact CD2-CG 4.39Å; L64-L122 VanDerWaalsContact CD2-O 3.24Å; L64-L122 WeakPolarHBondContact CD2-O 3.48Å; I67-L122 HydrophobicContact CD1-CD1 4.16Å; I67-L122 HydrophobicContact CG1-CD1 3.9Å; L68-L122 HydrophobicContact CB-CD2 3.76Å; L68-L122 HydrophobicContact CD1-CD2 4.02Å; L68-L122 HydrophobicContact CG-CD2 3.81Å; A71-L122 HydrophobicContact CB-CD1 3.78Å; Y72-L122 HydrophobicContact CD1-CB 4.46Å; Y72-L122 HydrophobicContact CD1-CD2 4.36Å; Y72-L122 HydrophobicContact CE1-CB 3.89Å; Y72-L122 HydrophobicContact CE1-CD2 3.67Å; Y72-L122 HydrophobicContact CE1-CG 4.42Å; H99-L122 VanDerWaalsContact CE1-CD2 3.44Å; H99-L122 WeakPolarHBondContact CE1-CD2 3.48Å; H99-L122 WeakPolarHBondContact ND1-CD2 3.35Å; M118-L122 PolarHBondContact O-N 2.98Å; M118-L122 VanDerWaalsContact O-N 3.09Å; T120-L122 PolarHBondContact O-N 3.36Å; L122-L125 HydrophobicContact CD1-CD1 4.3Å; L122-L125 WeakPolarHBondContact O-CB 3.28Å
123	N	98.4	Very high	97.3	Very high	9 Å²	9	8.6 Å²	8.6	5%	0.048	6%	0.057	C	C	.	.	H	α-helix	trans	-75.4	-28.1	-179.3	-71.4	-85.9	0	0	0	112.4	H99 P119 T120 Y121 L125 A126 V130 F209 K372	H99-N123 PolarHBondContact ND1-ND2 3Å; P119-N123 PolarHBondContact O-N 2.76Å; P119-N123 PolarHBondContact O-ND2 3.3Å; T120-N123 PolarHBondContact O-N 2.83Å; Y121-N123 PolarHBondContact O-N 2.87Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 3.12Å; N123-A126 PolarHBondContact O-N 3.06Å; N123-V130 HydrophobicContact CB-CG2 3.88Å; N123-F209 HydrophobicContact CB-CB 4.45Å; N123-F209 HydrophobicContact CB-CD1 3.34Å; N123-F209 HydrophobicContact CB-CE1 3.74Å; N123-F209 HydrophobicContact CB-CG 4.06Å; N123-F209 VanDerWaalsContact CG-CD1 3.42Å; N123-F209 VanDerWaalsContact CG-CE1 3.48Å; N123-F209 WeakPolarHBondContact ND2-CE1 3.4Å; N123-F209 WeakPolarHBondContact ND2-CZ 3.36Å; N123-K372 PolarHBondContact OD1-NZ 3.07Å
124	A	98.2	Very high	97.3	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67	-27	176	0	0	0	0	0	112.7	T120 Y121 A126 G127 V130 L156 D177 I178	T120-A124 WeakPolarHBondContact O-CB 3.28Å; T120-A124 PolarHBondContact O-N 3.24Å; Y121-A124 PolarHBondContact O-N 3.22Å; A124-A126 PolarHBondContact O-N 2.8Å; A124-G127 PolarHBondContact O-N 2.91Å; A124-V130 HydrophobicContact CB-CG2 3.89Å; A124-L156 HydrophobicContact CB-CD1 3.72Å; A124-D177 HydrophobicContact CB-CB 4.38Å; A124-I178 HydrophobicContact CB-CD1 4.37Å; A124-I178 HydrophobicContact CB-CG1 3.9Å
125	L	98.5	Very high	96.8	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25	174.9	-66.5	174.8	0	0	0	113.7	T44 F47 Q48 L51 L64 I67 A71 Y121 L122 N123 G127	T44-L125 HydrophobicContact CG2-CD2 3.68Å; F47-L125 HydrophobicContact CB-CD1 3.97Å; F47-L125 HydrophobicContact CB-CD2 4.2Å; F47-L125 HydrophobicContact CD2-CD1 3.86Å; F47-L125 HydrophobicContact CG-CD1 4.23Å; Q48-L125 HydrophobicContact CG-CD2 4.27Å; Q48-L125 WeakPolarHBondContact CG-O 3.49Å; L51-L125 VanDerWaalsContact CD1-C 3.49Å; L51-L125 HydrophobicContact CD1-CB 3.58Å; L51-L125 WeakPolarHBondContact CD1-O 3.25Å; L64-L125 HydrophobicContact CD2-CB 4.45Å; I67-L125 HydrophobicContact CD1-CD1 3.9Å; A71-L125 HydrophobicContact CB-CD1 4.47Å; Y121-L125 HydrophobicContact CD1-CD1 4.45Å; Y121-L125 HydrophobicContact CE1-CD1 3.91Å; Y121-L125 HydrophobicContact CE1-CD2 4.31Å; Y121-L125 HydrophobicContact CE1-CG 4.31Å; Y121-L125 HydrophobicContact CE2-CD2 4.09Å; Y121-L125 WeakPolarHBondContact O-CG 3.26Å; Y121-L125 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD1-CD1 4.3Å; L122-L125 WeakPolarHBondContact O-CB 3.28Å; N123-L125 VanDerWaalsContact C-N 3.27Å; N123-L125 PolarHBondContact O-N 3.12Å; L125-G127 PolarHBondContact O-N 3.39Å
126	A	96.3	Very high	96.1	Very high	13 Å²	13	8.2 Å²	8.2	11%	0.107	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.1	178	0	0	0	0	0	113.5	L64 N123 A124 R128	L64-A126 HydrophobicContact CD1-CB 4.49Å; N123-A126 PolarHBondContact O-N 3.06Å; A124-A126 PolarHBondContact O-N 2.8Å; A126-R128 PolarHBondContact O-N 3.25Å; A126-R128 VanDerWaalsContact O-N 3.16Å
127	G	95.3	Very high	95.7	Very high	37 Å²	37	11.4 Å²	11.4	38%	0.381	7%	0.069	S	C	.	.	S	Bend	trans	67.9	13.7	177.4	0	0	0	0	0	114.2	A124 L125 R205	A124-G127 PolarHBondContact O-N 2.91Å; L125-G127 PolarHBondContact O-N 3.39Å; G127-R205 PolarHBondContact O-NH2 2.74Å
128	R	95.4	Very high	95.1	Very high	38 Å²	38	15.2 Å²	15.2	14%	0.143	8%	0.084	C	C	.	.	S	Bend	trans	-93.9	-6.6	-176.1	-77.9	-175.6	-68.1	157.1	-2.9	113.9	N61 A126 R205 H208	N61-R128 PolarHBondContact OD1-NH2 3.36Å; A126-R128 PolarHBondContact O-N 3.25Å; A126-R128 VanDerWaalsContact O-N 3.16Å; R128-R205 VanDerWaalsContact C-NH2 3.27Å; R128-R205 PolarHBondContact O-NH2 3.43Å; R128-H208 HydrophobicContact CB-CB 4.23Å; R128-H208 PolarHBondContact O-CD2 3.45Å
129	G	96.1	Very high	94.5	Very high	7 Å²	7	16 Å²	16	7%	0.072	9%	0.088	C	C	.	.			trans	84.6	144.1	-173.4	0	0	0	0	0	112.1	D177	G129-D177 CarbonylContact C-O 3.45Å; G129-D177 WeakPolarHBondContact CA-O 3.26Å
130	V	98.4	Very high	94.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130	174.1	177.1	0	0	0	0	109.3	T120 N123 A124 D177 I178 T179 F209	T120-V130 HydrophobicContact CG2-CB 4.28Å; T120-V130 HydrophobicContact CG2-CG1 3.85Å; N123-V130 HydrophobicContact CB-CG2 3.88Å; A124-V130 HydrophobicContact CB-CG2 3.89Å; V130-D177 PolarHBondContact N-O 3.43Å; V130-I178 CarbonylContact O-C 3.59Å; V130-I178 WeakPolarHBondContact O-CA 3.3Å; V130-T179 PolarHBondContact O-N 3.43Å; V130-F209 HydrophobicContact CB-CD1 4.44Å; V130-F209 HydrophobicContact CG1-CD1 3.64Å; V130-F209 HydrophobicContact CG1-CE1 4.21Å; V130-F209 HydrophobicContact CG2-CD1 4.01Å
131	H	98.6	Very high	93.9	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.1	174.7	-61.4	166.3	0	0	0	110.6	I133 Y174 T179 L186 F209 A210 I211 Y370	H131-I133 HydrophobicContact CB-CG1 4.33Å; H131-Y174 AromaticContact CE1-CE1 3.9Å; H131-Y174 AromaticContact NE2-CD1 3.62Å; H131-Y174 AromaticContact NE2-CE1 3.69Å; H131-T179 CarbonylContact C-O 3.57Å; H131-T179 WeakPolarHBondContact CA-O 3.29Å; H131-L186 HydrophobicContact CB-CD1 4.48Å; H131-F209 PolarHBondContact N-O 2.61Å; H131-A210 HydrophobicContact CB-CB 4.28Å; H131-A210 CarbonylContact O-C 3.6Å; H131-A210 VanDerWaalsContact O-CA 3.29Å; H131-A210 WeakPolarHBondContact O-CA 3.4Å; H131-I211 PolarHBondContact O-N 3.31Å; H131-Y370 AromaticContact ND1-CE1 3.64Å; H131-Y370 AromaticContact ND1-CZ 3.64Å; H131-Y370 PolarHBondContact ND1-OH 3.5Å
132	V	98.4	Very high	93.4	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.3	170.2	-177.2	0	0	0	0	108	T120 I178 T179 Y180 S181	T120-V132 HydrophobicContact CG2-CG2 3.86Å; V132-I178 HydrophobicContact CG2-CG2 3.98Å; V132-T179 PolarHBondContact N-O 3.47Å; V132-Y180 HydrophobicContact CB-CD1 3.93Å; V132-Y180 HydrophobicContact CB-CD2 4.33Å; V132-Y180 HydrophobicContact CB-CE1 3.8Å; V132-Y180 HydrophobicContact CB-CE2 4.2Å; V132-Y180 HydrophobicContact CB-CG 4.19Å; V132-Y180 HydrophobicContact CG1-CD1 3.85Å; V132-Y180 HydrophobicContact CG1-CE1 3.42Å; V132-Y180 VanDerWaalsContact CG1-CE1 3.42Å; V132-Y180 HydrophobicContact CG2-CE1 4.48Å; V132-Y180 HydrophobicContact CG2-CE2 4.25Å; V132-Y180 WeakPolarHBondContact O-CA 3.34Å; V132-S181 PolarHBondContact O-N 3.48Å
133	I	96.7	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.1	-165.9	-46.7	-175.5	0	0	0	108.8	H131 S181 N183 L186 A210 I211 I212 D213 I218 F367	H131-I133 HydrophobicContact CB-CG1 4.33Å; I133-S181 WeakPolarHBondContact CA-O 3.47Å; I133-N183 HydrophobicContact CG2-CB 3.95Å; I133-L186 HydrophobicContact CD1-CD1 3.32Å; I133-L186 HydrophobicContact CG1-CD1 3.61Å; I133-L186 HydrophobicContact CG2-CD1 4.26Å; I133-A210 HydrophobicContact CD1-CB 3.81Å; I133-I211 PolarHBondContact N-O 2.86Å; I133-I212 HydrophobicContact CB-CG1 4.18Å; I133-I212 HydrophobicContact CD1-CG1 3.91Å; I133-I212 HydrophobicContact CG1-CG1 4.39Å; I133-D213 PolarHBondContact O-N 3.22Å; I133-I218 HydrophobicContact CG2-CD1 4.23Å; I133-F367 HydrophobicContact CD1-CD1 4.43Å; I133-F367 HydrophobicContact CD1-CE1 3.42Å; I133-F367 VanDerWaalsContact CD1-CE1 3.42Å; I133-F367 HydrophobicContact CD1-CZ 4Å
134	T	92.1	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	164.9	175.1	78.5	0	0	0	0	110.7	N136 L139 S140 Q143 S181 T182	T134-N136 VanDerWaalsContact C-N 3.3Å; T134-N136 PolarHBondContact O-N 2.97Å; T134-N136 PolarHBondContact OG1-O 3.43Å; T134-L139 HydrophobicContact CG2-CB 4.47Å; T134-S140 PolarHBondContact OG1-N 2.87Å; T134-S140 VanDerWaalsContact OG1-N 3.14Å; T134-S140 PolarHBondContact OG1-OG 3.22Å; T134-Q143 VanDerWaalsContact CG2-OE1 3.31Å; T134-S181 PolarHBondContact N-O 3.15Å; T134-T182 WeakPolarHBondContact O-CA 3.27Å
135	V	83.9	Confident	92.8	Very high	25 Å²	25	28.2 Å²	28.2	15%	0.152	15%	0.153	C	C	.	.	S	Bend	trans	-69.5	-26.6	-177	-175.2	0	0	0	0	112.4	E214 I218	V135-E214 HydrophobicContact CG2-CB 3.96Å; V135-E214 HydrophobicContact CG2-CG 4.42Å; V135-I218 HydrophobicContact CG2-CD1 4.3Å
136	N	84.1	Confident	92.5	Very high	28 Å²	28	32.6 Å²	32.6	15%	0.15	17%	0.174	C	C	.	.	S	Bend	trans	-150	163.2	-177.7	65.9	56.9	0	0	0	113.4	T134 Y138 L139 S140	T134-N136 VanDerWaalsContact C-N 3.3Å; T134-N136 PolarHBondContact O-N 2.97Å; T134-N136 PolarHBondContact OG1-O 3.43Å; N136-Y138 VanDerWaalsContact C-N 3.32Å; N136-Y138 PolarHBondContact O-N 2.78Å; N136-Y138 PolarHBondContact OD1-N 3.44Å; N136-L139 PolarHBondContact O-N 3.1Å; N136-L139 WeakPolarHBondContact OD1-CB 3.16Å; N136-L139 WeakPolarHBondContact OD1-CG 3.41Å; N136-L139 PolarHBondContact OD1-N 2.96Å; N136-S140 PolarHBondContact O-N 3.16Å; N136-S140 PolarHBondContact O-OG 3.1Å; N136-S140 VanDerWaalsContact O-OG 3.06Å
137	E	88	Confident	92.5	Very high	71 Å²	71	32.2 Å²	32.2	33%	0.332	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-34.1	-175.4	-71.6	-168.3	153.8	0	0	113.4	S140 S141 L162 N163 T182	E137-S140 WeakPolarHBondContact O-CB 3.38Å; E137-S140 PolarHBondContact O-N 3.35Å; E137-S141 WeakPolarHBondContact O-CB 3.49Å; E137-S141 PolarHBondContact O-N 3.05Å; E137-S141 PolarHBondContact O-OG 3.16Å; E137-L162 HydrophobicContact CB-CD2 3.78Å; E137-L162 HydrophobicContact CG-CD2 3.85Å; E137-N163 WeakPolarHBondContact OE1-CB 3.43Å; E137-N163 PolarHBondContact OE1-N 3.23Å; E137-T182 HydrophobicContact CB-CG2 4.41Å; E137-T182 HydrophobicContact CG-CG2 3.78Å
138	Y	85.9	Confident	92.6	Very high	79 Å²	79	31.3 Å²	31.3	31%	0.31	16%	0.158	S	C	.	.	H	α-helix	trans	-63.4	-48.6	177.2	172.2	-101.4	0	0	0	111	N136 S140 S141 V142 E471 A474	N136-Y138 VanDerWaalsContact C-N 3.32Å; N136-Y138 PolarHBondContact O-N 2.78Å; N136-Y138 PolarHBondContact OD1-N 3.44Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 2.65Å; Y138-S141 PolarHBondContact O-N 2.8Å; Y138-V142 HydrophobicContact CD2-CG2 4.17Å; Y138-V142 HydrophobicContact CE1-CG2 4.16Å; Y138-V142 HydrophobicContact CE2-CG2 3.7Å; Y138-V142 WeakPolarHBondContact O-CG2 3.44Å; Y138-V142 PolarHBondContact O-N 3.36Å; Y138-E471 HydrophobicContact CD2-CG 3.6Å; Y138-E471 HydrophobicContact CE2-CB 4.47Å; Y138-E471 HydrophobicContact CE2-CG 3.68Å; Y138-E471 HydrophobicContact CG-CG 4.44Å; Y138-A474 HydrophobicContact CE1-CB 3.93Å
139	L	86.6	Confident	92.7	Very high	18 Å²	18	35 Å²	35	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-41.6	175.8	-70.3	175.7	0	0	0	111.4	T134 N136 S141 Q143	T134-L139 HydrophobicContact CG2-CB 4.47Å; N136-L139 PolarHBondContact O-N 3.1Å; N136-L139 WeakPolarHBondContact OD1-CB 3.16Å; N136-L139 WeakPolarHBondContact OD1-CG 3.41Å; N136-L139 PolarHBondContact OD1-N 2.96Å; L139-S141 VanDerWaalsContact C-N 3.31Å; L139-S141 PolarHBondContact O-N 3.43Å; L139-Q143 WeakPolarHBondContact O-CB 3.33Å; L139-Q143 VanDerWaalsContact O-CG 3.26Å; L139-Q143 WeakPolarHBondContact O-CG 3.42Å; L139-Q143 PolarHBondContact O-N 2.83Å
140	S	90.6	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-48.4	174.7	-59.5	0	0	0	0	110.8	T134 N136 E137 Y138 S144 S181	T134-S140 PolarHBondContact OG1-N 2.87Å; T134-S140 VanDerWaalsContact OG1-N 3.14Å; T134-S140 PolarHBondContact OG1-OG 3.22Å; N136-S140 PolarHBondContact O-N 3.16Å; N136-S140 PolarHBondContact O-OG 3.1Å; N136-S140 VanDerWaalsContact O-OG 3.06Å; E137-S140 WeakPolarHBondContact O-CB 3.38Å; E137-S140 PolarHBondContact O-N 3.35Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 2.65Å; S140-S144 WeakPolarHBondContact O-CB 3.1Å; S140-S144 PolarHBondContact O-N 3.03Å; S140-S144 PolarHBondContact O-OG 2.88Å; S140-S144 VanDerWaalsContact O-OG 3.07Å; S140-S181 PolarHBondContact OG-O 3.37Å
141	S	92.5	Very high	92.8	Very high	34 Å²	34	34.7 Å²	34.7	24%	0.238	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-54.9	-177.5	-56.3	0	0	0	0	111.3	E137 Y138 L139 Q143 S144 E145	E137-S141 WeakPolarHBondContact O-CB 3.49Å; E137-S141 PolarHBondContact O-N 3.05Å; E137-S141 PolarHBondContact O-OG 3.16Å; Y138-S141 PolarHBondContact O-N 2.8Å; L139-S141 VanDerWaalsContact C-N 3.31Å; L139-S141 PolarHBondContact O-N 3.43Å; S141-Q143 PolarHBondContact O-N 2.71Å; S141-S144 PolarHBondContact O-N 3.06Å; S141-S144 PolarHBondContact O-OG 3.47Å; S141-E145 PolarHBondContact O-N 2.92Å
142	V	89.3	Confident	92.7	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.345	20%	0.195	S	C	.	.	H	α-helix	trans	-62.5	-47.4	-178.1	175.2	0	0	0	0	111.4	Y138 S144 E145 E146	Y138-V142 HydrophobicContact CD2-CG2 4.17Å; Y138-V142 HydrophobicContact CE1-CG2 4.16Å; Y138-V142 HydrophobicContact CE2-CG2 3.7Å; Y138-V142 WeakPolarHBondContact O-CG2 3.44Å; Y138-V142 PolarHBondContact O-N 3.36Å; V142-S144 VanDerWaalsContact C-N 3.33Å; V142-S144 PolarHBondContact O-N 3.36Å; V142-E145 PolarHBondContact O-N 3.29Å; V142-E146 WeakPolarHBondContact O-CB 3.38Å; V142-E146 PolarHBondContact O-N 3.48Å
143	Q	91.8	Very high	92.7	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-67.5	-35.5	-179.8	-68.2	-174.6	-1.9	0	0	111.9	T113 T134 L139 S141 M147 Y180	T113-Q143 HydrophobicContact CG2-CG 4.28Å; T134-Q143 VanDerWaalsContact CG2-OE1 3.31Å; L139-Q143 WeakPolarHBondContact O-CB 3.33Å; L139-Q143 VanDerWaalsContact O-CG 3.26Å; L139-Q143 WeakPolarHBondContact O-CG 3.42Å; L139-Q143 PolarHBondContact O-N 2.83Å; S141-Q143 PolarHBondContact O-N 2.71Å; Q143-M147 WeakPolarHBondContact O-CB 3.24Å; Q143-M147 VanDerWaalsContact O-CG 3.22Å; Q143-M147 WeakPolarHBondContact O-CG 3.5Å; Q143-M147 PolarHBondContact O-N 3.49Å; Q143-Y180 HydrophobicContact CB-CD1 4.28Å; Q143-Y180 HydrophobicContact CB-CE1 3.85Å
144	S	94.9	Very high	92.8	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-44.5	176.3	72.8	0	0	0	0	111.5	S140 S141 V142 A148	S140-S144 WeakPolarHBondContact O-CB 3.1Å; S140-S144 PolarHBondContact O-N 3.03Å; S140-S144 PolarHBondContact O-OG 2.88Å; S140-S144 VanDerWaalsContact O-OG 3.07Å; S141-S144 PolarHBondContact O-N 3.06Å; S141-S144 PolarHBondContact O-OG 3.47Å; V142-S144 VanDerWaalsContact C-N 3.33Å; V142-S144 PolarHBondContact O-N 3.36Å; S144-A148 WeakPolarHBondContact O-CB 3.39Å; S144-A148 PolarHBondContact O-N 3.38Å
145	E	94.8	Very high	93	Very high	150 Å²	150	41.9 Å²	41.9	70%	0.701	22%	0.22	S	C	*	.	H	α-helix	trans	-65.2	-49.2	179.3	-175.2	176	-168.1	0	0	110.8	S141 V142 A148	S141-E145 PolarHBondContact O-N 2.92Å; V142-E145 PolarHBondContact O-N 3.29Å; E145-A148 PolarHBondContact O-N 3.44Å
146	E	93.5	Very high	93.7	Very high	94 Å²	94	40.8 Å²	40.8	44%	0.439	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-49.2	-179.8	-166.7	-172.2	164.6	0	0	111.3	F83 V142 A148 E149	F83-E146 WeakPolarHBondContact CE1-O 3.47Å; F83-E146 VanDerWaalsContact CZ-O 3.25Å; F83-E146 WeakPolarHBondContact CZ-O 3.18Å; V142-E146 WeakPolarHBondContact O-CB 3.38Å; V142-E146 PolarHBondContact O-N 3.48Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.22Å; E146-E149 PolarHBondContact O-N 3.07Å
147	M	96.2	Very high	94.4	Very high	5 Å²	5	42 Å²	42	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-76.8	-21.5	-176.5	-61	-63.8	97.2	0	0	112.9	F83 T113 T117 Q143 E149 L150 Y151 Y180	F83-M147 HydrophobicContact CE1-CE 4.44Å; F83-M147 HydrophobicContact CE2-CE 3.64Å; F83-M147 HydrophobicContact CE2-SD 4.21Å; F83-M147 HydrophobicContact CZ-CE 3.61Å; F83-M147 HydrophobicContact CZ-SD 4.47Å; T113-M147 HydrophobicContact CG2-CG 4.17Å; T113-M147 HydrophobicContact CG2-SD 4.04Å; T117-M147 HydrophobicContact CG2-CG 4.43Å; T117-M147 HydrophobicContact CG2-SD 3.44Å; T117-M147 WeakPolarHBondContact CG2-SD 3.43Å; Q143-M147 WeakPolarHBondContact O-CB 3.24Å; Q143-M147 VanDerWaalsContact O-CG 3.22Å; Q143-M147 WeakPolarHBondContact O-CG 3.5Å; Q143-M147 PolarHBondContact O-N 3.49Å; M147-E149 PolarHBondContact O-N 2.87Å; M147-L150 PolarHBondContact O-N 3.46Å; M147-L150 VanDerWaalsContact O-N 3.11Å; M147-Y151 HydrophobicContact CB-CD2 4.04Å; M147-Y151 HydrophobicContact CB-CE2 3.65Å; M147-Y151 WeakPolarHBondContact O-CD2 3.42Å; M147-Y151 PolarHBondContact O-N 2.9Å; M147-Y180 WeakPolarHBondContact CB-OH 3.43Å
148	A	96.8	Very high	94.9	Very high	17 Å²	17	40 Å²	40	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-33.3	173.1	0	0	0	0	0	112.1	S144 E145 E146 L150 Y151 N152 V158	S144-A148 WeakPolarHBondContact O-CB 3.39Å; S144-A148 PolarHBondContact O-N 3.38Å; E145-A148 PolarHBondContact O-N 3.44Å; E146-A148 VanDerWaalsContact C-N 3.34Å; E146-A148 PolarHBondContact O-N 3.22Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 3.46Å; A148-Y151 PolarHBondContact O-N 3.35Å; A148-N152 WeakPolarHBondContact O-CB 3.21Å; A148-N152 PolarHBondContact O-N 3.11Å; A148-N152 PolarHBondContact O-ND2 2.82Å; A148-V158 HydrophobicContact CB-CB 4.06Å; A148-V158 HydrophobicContact CB-CG1 4.45Å; A148-V158 HydrophobicContact CB-CG2 4.06Å
149	E	97.3	Very high	95.4	Very high	117 Å²	117	36.5 Å²	36.5	55%	0.547	20%	0.202	S	C	.	.	H	α-helix	trans	-56.8	-42.9	174.8	-62.7	-171.7	-178.1	0	0	111.9	V82 F83 E146 M147 F153	V82-E149 HydrophobicContact CG1-CB 3.68Å; F83-E149 HydrophobicContact CE1-CB 4.17Å; F83-E149 HydrophobicContact CZ-CB 4.48Å; E146-E149 PolarHBondContact O-N 3.07Å; M147-E149 PolarHBondContact O-N 2.87Å; E149-F153 VanDerWaalsContact O-CB 3.24Å; E149-F153 WeakPolarHBondContact O-CB 3.37Å; E149-F153 PolarHBondContact O-N 2.61Å; E149-F153 VanDerWaalsContact O-N 3.1Å
150	L	98.1	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.9	-48.1	177.9	174.6	60.4	0	0	0	112.2	V75 S79 F83 T117 M147 A148 F153 L154	V75-L150 HydrophobicContact CG1-CD2 4.29Å; S79-L150 VanDerWaalsContact N-CD1 3.33Å; F83-L150 HydrophobicContact CE2-CB 3.63Å; F83-L150 HydrophobicContact CE2-CD2 3.93Å; F83-L150 HydrophobicContact CE2-CG 4.34Å; F83-L150 HydrophobicContact CZ-CB 3.72Å; T117-L150 HydrophobicContact CG2-CD2 3.89Å; M147-L150 PolarHBondContact O-N 3.46Å; M147-L150 VanDerWaalsContact O-N 3.11Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 3.46Å; L150-F153 WeakPolarHBondContact O-CB 3.4Å; L150-F153 PolarHBondContact O-N 2.96Å; L150-L154 HydrophobicContact CD1-CD1 3.96Å; L150-L154 HydrophobicContact CD1-CG 4.23Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.41Å
151	Y	98.4	Very high	96.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-177.7	-64.5	-56.5	0	0	0	111.9	T117 T120 M147 A148 F153 L154 G155 L156 V158 I178 Y180	T117-Y151 WeakPolarHBondContact CA-OH 3Å; T120-Y151 WeakPolarHBondContact CB-OH 3.46Å; T120-Y151 HydrophobicContact CG2-CE1 4.12Å; T120-Y151 WeakPolarHBondContact CG2-OH 3.43Å; T120-Y151 PolarHBondContact OG1-OH 3.41Å; M147-Y151 HydrophobicContact CB-CD2 4.04Å; M147-Y151 HydrophobicContact CB-CE2 3.65Å; M147-Y151 WeakPolarHBondContact O-CD2 3.42Å; M147-Y151 PolarHBondContact O-N 2.9Å; A148-Y151 PolarHBondContact O-N 3.35Å; Y151-F153 VanDerWaalsContact C-N 3.34Å; Y151-F153 PolarHBondContact O-N 2.73Å; Y151-L154 CarbonylContact O-C 3.58Å; Y151-L154 WeakPolarHBondContact O-CA 3.13Å; Y151-L154 PolarHBondContact O-N 3.18Å; Y151-L154 VanDerWaalsContact O-N 3.12Å; Y151-G155 PolarHBondContact O-N 3.31Å; Y151-L156 CarbonylContact C-O 3.53Å; Y151-L156 PolarHBondContact O-N 3.24Å; Y151-V158 HydrophobicContact CD2-CG2 3.6Å; Y151-V158 HydrophobicContact CG-CG2 4.02Å; Y151-I178 HydrophobicContact CD1-CD1 3.45Å; Y151-I178 VanDerWaalsContact CD1-CD1 3.45Å; Y151-I178 HydrophobicContact CD2-CD1 3.76Å; Y151-I178 HydrophobicContact CE1-CD1 3.66Å; Y151-I178 HydrophobicContact CE2-CD1 3.94Å; Y151-I178 HydrophobicContact CG-CD1 3.49Å; Y151-I178 VanDerWaalsContact CG-CD1 3.49Å; Y151-Y180 HydrophobicContact CE2-CE2 4.2Å
152	N	97.7	Very high	96.3	Very high	89 Å²	89	37 Å²	37	48%	0.476	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-40.2	174.1	-68.9	-32.1	0	0	0	111.3	A148 L154 G155 L156	A148-N152 WeakPolarHBondContact O-CB 3.21Å; A148-N152 PolarHBondContact O-N 3.11Å; A148-N152 PolarHBondContact O-ND2 2.82Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 2.92Å; N152-G155 PolarHBondContact O-N 3.08Å; N152-L156 WeakPolarHBondContact CA-O 3.46Å; N152-L156 PolarHBondContact N-O 3Å; N152-L156 PolarHBondContact OD1-O 3.21Å; N152-L156 VanDerWaalsContact OD1-O 3.08Å
153	F	97.9	Very high	96.3	Very high	35 Å²	35	38.8 Å²	38.8	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-42	172.4	171.8	-91.5	0	0	0	111.7	D37 I40 R41 R81 V82 E149 L150 Y151 G155	D37-F153 HydrophobicContact CB-CE2 3.91Å; D37-F153 HydrophobicContact CB-CZ 4.17Å; D37-F153 WeakPolarHBondContact OD1-CZ 3.47Å; I40-F153 HydrophobicContact CD1-CE1 4.22Å; I40-F153 HydrophobicContact CD1-CZ 4.21Å; I40-F153 HydrophobicContact CG2-CE1 4.08Å; R41-F153 WeakPolarHBondContact CD-O 3.36Å; R41-F153 WeakPolarHBondContact CG-O 3.46Å; R81-F153 HydrophobicContact CB-CZ 4.39Å; V82-F153 HydrophobicContact CG2-CB 3.76Å; V82-F153 HydrophobicContact CG2-CD1 4.16Å; V82-F153 HydrophobicContact CG2-CD2 4.09Å; V82-F153 HydrophobicContact CG2-CG 3.72Å; E149-F153 VanDerWaalsContact O-CB 3.24Å; E149-F153 WeakPolarHBondContact O-CB 3.37Å; E149-F153 PolarHBondContact O-N 2.61Å; E149-F153 VanDerWaalsContact O-N 3.1Å; L150-F153 WeakPolarHBondContact O-CB 3.4Å; L150-F153 PolarHBondContact O-N 2.96Å; Y151-F153 VanDerWaalsContact C-N 3.34Å; Y151-F153 PolarHBondContact O-N 2.73Å; F153-G155 PolarHBondContact O-N 3.42Å
154	L	97.9	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.7	175.8	-64.7	170.4	0	0	0	113.1	I40 T44 V75 Y121 L150 Y151 N152	I40-L154 HydrophobicContact CG2-CD2 3.71Å; T44-L154 VanDerWaalsContact CB-O 3.22Å; T44-L154 WeakPolarHBondContact CB-O 3.39Å; T44-L154 VanDerWaalsContact CG2-O 3.32Å; T44-L154 WeakPolarHBondContact CG2-O 3.27Å; T44-L154 PolarHBondContact OG1-O 3.33Å; V75-L154 HydrophobicContact CB-CD1 4.41Å; V75-L154 HydrophobicContact CG2-CD1 3.89Å; Y121-L154 HydrophobicContact CD2-CB 4.06Å; Y121-L154 HydrophobicContact CD2-CD1 3.68Å; Y121-L154 HydrophobicContact CD2-CG 4.44Å; Y121-L154 HydrophobicContact CE2-CB 3.79Å; Y121-L154 HydrophobicContact CE2-CD1 4.03Å; Y121-L154 HydrophobicContact CE2-CG 4.36Å; Y121-L154 HydrophobicContact CG-CD1 4.22Å; L150-L154 HydrophobicContact CD1-CD1 3.96Å; L150-L154 HydrophobicContact CD1-CG 4.23Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.41Å; Y151-L154 CarbonylContact O-C 3.58Å; Y151-L154 WeakPolarHBondContact O-CA 3.13Å; Y151-L154 PolarHBondContact O-N 3.18Å; Y151-L154 VanDerWaalsContact O-N 3.12Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 2.92Å
155	G	97	Very high	95.9	Very high	37 Å²	37	45.2 Å²	45.2	38%	0.381	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	20.5	178.2	0	0	0	0	0	115.1	Y151 N152 F153	Y151-G155 PolarHBondContact O-N 3.31Å; N152-G155 PolarHBondContact O-N 3.08Å; F153-G155 PolarHBondContact O-N 3.42Å
156	L	98.2	Very high	95.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	24%	0.236	C	C	.	.			trans	-103.4	162.7	168.5	-62.9	-177	0	0	0	110.7	T44 Y121 A124 Y151 N152 D177 I178	T44-L156 HydrophobicContact CG2-CD2 3.96Å; T44-L156 HydrophobicContact CG2-CG 4.32Å; Y121-L156 HydrophobicContact CD2-CD1 3.47Å; Y121-L156 VanDerWaalsContact CD2-CD1 3.47Å; Y121-L156 HydrophobicContact CD2-CG 4.16Å; Y121-L156 HydrophobicContact CE2-CD1 4.06Å; Y121-L156 HydrophobicContact CE2-CG 4.31Å; Y121-L156 HydrophobicContact CG-CD1 4.32Å; A124-L156 HydrophobicContact CB-CD1 3.72Å; Y151-L156 CarbonylContact C-O 3.53Å; Y151-L156 PolarHBondContact O-N 3.24Å; N152-L156 WeakPolarHBondContact CA-O 3.46Å; N152-L156 PolarHBondContact N-O 3Å; N152-L156 PolarHBondContact OD1-O 3.21Å; N152-L156 VanDerWaalsContact OD1-O 3.08Å; L156-D177 WeakPolarHBondContact CA-OD2 3.34Å; L156-D177 HydrophobicContact CB-CB 4.28Å; L156-D177 HydrophobicContact CD2-CB 4.26Å; L156-I178 HydrophobicContact CB-CD1 4.45Å; L156-I178 HydrophobicContact CD1-CD1 4.04Å
157	T	98.3	Very high	95.6	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	24%	0.235	S	C	.	.			trans	-109.4	150	178.7	57.3	0	0	0	0	112.4	Q176 D177 I178	T157-Q176 PolarHBondContact OG1-OE1 3.38Å; T157-D177 PolarHBondContact N-OD2 3.36Å; T157-D177 PolarHBondContact O-N 3.11Å; T157-D177 PolarHBondContact OG1-N 3.43Å; T157-D177 PolarHBondContact OG1-OD2 3.24Å; T157-I178 PolarHBondContact O-N 3.09Å; T157-I178 VanDerWaalsContact O-N 3.12Å
158	V	98.5	Very high	95.5	Very high	29 Å²	29	45.1 Å²	45.1	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125	-177.6	-174.5	0	0	0	0	110.5	A148 Y151 I178 Y180	A148-V158 HydrophobicContact CB-CB 4.06Å; A148-V158 HydrophobicContact CB-CG1 4.45Å; A148-V158 HydrophobicContact CB-CG2 4.06Å; Y151-V158 HydrophobicContact CD2-CG2 3.6Å; Y151-V158 HydrophobicContact CG-CG2 4.02Å; V158-I178 CarbonylContact C-O 3.57Å; V158-I178 WeakPolarHBondContact CA-O 3.03Å; V158-I178 HydrophobicContact CG2-CB 4.42Å; V158-I178 HydrophobicContact CG2-CD1 4.42Å; V158-Y180 HydrophobicContact CG1-CD2 3.62Å; V158-Y180 HydrophobicContact CG1-CE2 3.88Å
159	G	97.8	Very high	95.4	Very high	7 Å²	7	48 Å²	48	7%	0.072	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	151.4	171.5	0	0	0	0	0	111.2	I178 T179 Y180	G159-I178 PolarHBondContact N-O 2.98Å; G159-T179 WeakPolarHBondContact O-CA 2.91Å; G159-Y180 PolarHBondContact O-N 3.47Å
160	L	98	Very high	95.4	Very high	41 Å²	41	43 Å²	43	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122	174.3	173.4	62.3	0	0	0	108.4	L162 K165 A173	L160-L162 HydrophobicContact CD1-CD2 3.99Å; L160-L162 HydrophobicContact CD1-CG 4.18Å; L160-L162 HydrophobicContact CD2-CD1 3.94Å; L160-L162 HydrophobicContact CD2-CG 4.24Å; L160-L162 HydrophobicContact CG-CD1 4.2Å; L160-L162 HydrophobicContact CG-CD2 4.31Å; L160-L162 HydrophobicContact CG-CG 3.95Å; L160-K165 WeakPolarHBondContact O-CD 3.42Å; L160-K165 WeakPolarHBondContact O-CE 3.2Å; L160-A173 WeakPolarHBondContact O-CB 3.17Å
161	N	97	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.			trans	-105.6	127.5	175.8	-178	32.6	0	0	0	110.4	K170 Y174 T179 Y180 S181 E185 D189	N161-K170 WeakPolarHBondContact OD1-CG 3.38Å; N161-Y174 PolarHBondContact ND2-OH 3.38Å; N161-T179 HydrophobicContact CB-CG2 4.07Å; N161-Y180 PolarHBondContact N-O 2.88Å; N161-S181 PolarHBondContact ND2-OG 3.23Å; N161-S181 VanDerWaalsContact ND2-OG 3.14Å; N161-E185 WeakPolarHBondContact ND2-CG 3.03Å; N161-D189 PolarHBondContact ND2-OD2 3.19Å
162	L	93.3	Very high	95.2	Very high	22 Å²	22	52.9 Å²	52.9	12%	0.115	29%	0.288	C	S	.	.			trans	-140.1	155.2	-178.7	-60.3	176.4	0	0	0	108.9	E137 L160 S164 K165 K170	E137-L162 HydrophobicContact CB-CD2 3.78Å; E137-L162 HydrophobicContact CG-CD2 3.85Å; L160-L162 HydrophobicContact CD1-CD2 3.99Å; L160-L162 HydrophobicContact CD1-CG 4.18Å; L160-L162 HydrophobicContact CD2-CD1 3.94Å; L160-L162 HydrophobicContact CD2-CG 4.24Å; L160-L162 HydrophobicContact CG-CD1 4.2Å; L160-L162 HydrophobicContact CG-CD2 4.31Å; L160-L162 HydrophobicContact CG-CG 3.95Å; L162-S164 PolarHBondContact O-N 3.4Å; L162-K165 HydrophobicContact CB-CG 4.34Å; L162-K165 WeakPolarHBondContact O-CB 3.46Å; L162-K165 PolarHBondContact O-N 2.87Å; L162-K165 VanDerWaalsContact O-N 3.17Å; L162-K170 WeakPolarHBondContact O-CE 3.44Å
163	N	88.4	Confident	95.2	Very high	94 Å²	94	48.9 Å²	48.9	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.5	177.5	-175.1	-11.6	0	0	0	112.2	E137 K165 E185	E137-N163 WeakPolarHBondContact OE1-CB 3.43Å; E137-N163 PolarHBondContact OE1-N 3.23Å; N163-K165 PolarHBondContact O-N 2.9Å; N163-K165 VanDerWaalsContact O-N 3.1Å; N163-E185 WeakPolarHBondContact CA-OE2 3.34Å; N163-E185 VanDerWaalsContact CB-OE2 3.28Å; N163-E185 WeakPolarHBondContact CB-OE2 3.42Å
164	S	88.7	Confident	95.2	Very high	102 Å²	102	47.3 Å²	47.3	71%	0.713	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.2	-178.8	60.1	0	0	0	0	115.7	L162	L162-S164 PolarHBondContact O-N 3.4Å
165	K	91.1	Very high	95.2	Very high	56 Å²	56	50.5 Å²	50.5	24%	0.243	29%	0.287	C	S	.	.	S	Bend	trans	-83.1	146.8	-176.8	-74.7	-174.5	160.2	-71.4	0	112.7	L160 L162 N163 E169 K170	L160-K165 WeakPolarHBondContact O-CD 3.42Å; L160-K165 WeakPolarHBondContact O-CE 3.2Å; L162-K165 HydrophobicContact CB-CG 4.34Å; L162-K165 WeakPolarHBondContact O-CB 3.46Å; L162-K165 PolarHBondContact O-N 2.87Å; L162-K165 VanDerWaalsContact O-N 3.17Å; N163-K165 PolarHBondContact O-N 2.9Å; N163-K165 VanDerWaalsContact O-N 3.1Å; K165-E169 VanDerWaalsContact CA-OE2 3.27Å; K165-E169 WeakPolarHBondContact CA-OE2 3.39Å; K165-E169 HydrophobicContact CB-CB 3.99Å; K165-E169 HydrophobicContact CD-CB 4.26Å; K165-E169 HydrophobicContact CG-CB 4.25Å; K165-E169 IonicContact NZ-OE1 2.71Å; K165-K170 HydrophobicContact CB-CG 3.82Å
166	T	91	Very high	95.2	Very high	69 Å²	69	51.5 Å²	51.5	42%	0.423	28%	0.282	S	S	.	.			trans	-71.5	162.6	171.8	81.5	0	0	0	0	111.3	E168 E169 K170	T166-E168 WeakPolarHBondContact CB-OE2 3.28Å; T166-E168 PolarHBondContact O-N 3.06Å; T166-E168 PolarHBondContact OG1-N 3.37Å; T166-E168 PolarHBondContact OG1-OE2 2.99Å; T166-E169 PolarHBondContact N-OE2 3.18Å; T166-E169 PolarHBondContact O-N 2.84Å; T166-E169 VanDerWaalsContact O-N 3.16Å; T166-E169 PolarHBondContact OG1-N 3.41Å; T166-K170 VanDerWaalsContact O-CG 3.31Å; T166-K170 WeakPolarHBondContact O-CG 3.47Å; T166-K170 PolarHBondContact O-N 2.9Å
167	T	90.2	Very high	95.2	Very high	68 Å²	68	52.8 Å²	52.8	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-52.9	-40.7	176.3	-53.9	0	0	0	0	112	K170 R171 V203	T167-K170 PolarHBondContact O-N 3.37Å; T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 3.19Å; T167-V203 HydrophobicContact CG2-CG1 3.53Å; T167-V203 WeakPolarHBondContact O-CG1 3.24Å
168	E	93	Very high	95.3	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-48.9	177.3	-59.3	71.7	-154.6	0	0	111.9	T166 K170 R171 E172	T166-E168 WeakPolarHBondContact CB-OE2 3.28Å; T166-E168 PolarHBondContact O-N 3.06Å; T166-E168 PolarHBondContact OG1-N 3.37Å; T166-E168 PolarHBondContact OG1-OE2 2.99Å; E168-K170 PolarHBondContact O-N 3.31Å; E168-R171 WeakPolarHBondContact O-CB 3.3Å; E168-R171 PolarHBondContact O-N 2.86Å; E168-E172 WeakPolarHBondContact O-CG 3.44Å; E168-E172 PolarHBondContact O-N 3.19Å
169	E	95.9	Very high	95.3	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-34	178.9	-67.4	-178	118.4	0	0	112.2	K165 T166 A173	K165-E169 VanDerWaalsContact CA-OE2 3.27Å; K165-E169 WeakPolarHBondContact CA-OE2 3.39Å; K165-E169 HydrophobicContact CB-CB 3.99Å; K165-E169 HydrophobicContact CD-CB 4.26Å; K165-E169 HydrophobicContact CG-CB 4.25Å; K165-E169 IonicContact NZ-OE1 2.71Å; T166-E169 PolarHBondContact N-OE2 3.18Å; T166-E169 PolarHBondContact O-N 2.84Å; T166-E169 VanDerWaalsContact O-N 3.16Å; T166-E169 PolarHBondContact OG1-N 3.41Å; E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.16Å
170	K	96.5	Very high	95.3	Very high	12 Å²	12	48.8 Å²	48.8	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-46.7	174.7	-70.3	-177.4	170.9	-170.8	0	111.6	N161 L162 K165 T166 T167 E168 E172 A173 Y174 E185 D189 V203	N161-K170 WeakPolarHBondContact OD1-CG 3.38Å; L162-K170 WeakPolarHBondContact O-CE 3.44Å; K165-K170 HydrophobicContact CB-CG 3.82Å; T166-K170 VanDerWaalsContact O-CG 3.31Å; T166-K170 WeakPolarHBondContact O-CG 3.47Å; T166-K170 PolarHBondContact O-N 2.9Å; T167-K170 PolarHBondContact O-N 3.37Å; E168-K170 PolarHBondContact O-N 3.31Å; K170-E172 VanDerWaalsContact C-N 3.27Å; K170-E172 PolarHBondContact O-N 3.02Å; K170-A173 WeakPolarHBondContact O-CA 3.39Å; K170-A173 WeakPolarHBondContact O-CB 3.46Å; K170-A173 PolarHBondContact O-N 3.45Å; K170-Y174 WeakPolarHBondContact O-CD2 3.28Å; K170-Y174 PolarHBondContact O-N 3.2Å; K170-E185 WeakPolarHBondContact CE-OE1 3.43Å; K170-E185 IonicContact NZ-OE1 2.89Å; K170-E185 PolarHBondContact NZ-OE1 2.99Å; K170-D189 IonicContact NZ-OD1 3.57Å; K170-D189 PolarHBondContact NZ-OD1 3.01Å; K170-V203 HydrophobicContact CB-CB 4.15Å; K170-V203 HydrophobicContact CB-CG1 4.13Å; K170-V203 HydrophobicContact CB-CG2 4.37Å
171	R	96	Very high	95.2	Very high	78 Å²	78	46.8 Å²	46.8	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-42.7	176.1	-166.6	-176.1	-60.9	108	-7	111.1	T167 E168 A173 Y174 A175 E200 R202 V203	T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 3.19Å; E168-R171 WeakPolarHBondContact O-CB 3.3Å; E168-R171 PolarHBondContact O-N 2.86Å; R171-A173 VanDerWaalsContact C-N 3.34Å; R171-A173 PolarHBondContact O-N 3.14Å; R171-Y174 PolarHBondContact O-N 3.39Å; R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 2.99Å; R171-E200 VanDerWaalsContact CZ-O 3.3Å; R171-E200 PolarHBondContact NE-O 3.35Å; R171-E200 PolarHBondContact NH2-O 2.93Å; R171-R202 PolarHBondContact NE-O 3.47Å; R171-R202 VanDerWaalsContact NE-O 3.12Å; R171-V203 HydrophobicContact CB-CB 4.36Å; R171-V203 HydrophobicContact CB-CG1 4.29Å
172	E	97.2	Very high	95.1	Very high	129 Å²	129	47 Å²	47	60%	0.603	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-40.3	173.8	-72.4	179	178.6	0	0	112.4	E168 K170 A175 Q176	E168-E172 WeakPolarHBondContact O-CG 3.44Å; E168-E172 PolarHBondContact O-N 3.19Å; K170-E172 VanDerWaalsContact C-N 3.27Å; K170-E172 PolarHBondContact O-N 3.02Å; E172-A175 PolarHBondContact O-N 3.39Å; E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-NE2 3.49Å
173	A	97.8	Very high	95	Very high	6 Å²	6	46 Å²	46	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-39.5	178	0	0	0	0	0	113	L160 E169 K170 R171 T179	L160-A173 WeakPolarHBondContact O-CB 3.17Å; E169-A173 WeakPolarHBondContact O-CB 3.38Å; E169-A173 PolarHBondContact O-N 3.16Å; K170-A173 WeakPolarHBondContact O-CA 3.39Å; K170-A173 WeakPolarHBondContact O-CB 3.46Å; K170-A173 PolarHBondContact O-N 3.45Å; R171-A173 VanDerWaalsContact C-N 3.34Å; R171-A173 PolarHBondContact O-N 3.14Å; A173-T179 HydrophobicContact CB-CG2 4.49Å; A173-T179 PolarHBondContact O-OG1 2.92Å
174	Y	98	Very high	95.1	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-27.5	174.4	-75.4	-68.8	0	0	0	113	H131 N161 K170 R171 Q176 T179 L186 D189 V203 M204 R205	H131-Y174 AromaticContact CE1-CE1 3.9Å; H131-Y174 AromaticContact NE2-CD1 3.62Å; H131-Y174 AromaticContact NE2-CE1 3.69Å; N161-Y174 PolarHBondContact ND2-OH 3.38Å; K170-Y174 WeakPolarHBondContact O-CD2 3.28Å; K170-Y174 PolarHBondContact O-N 3.2Å; R171-Y174 PolarHBondContact O-N 3.39Å; Y174-Q176 PolarHBondContact O-N 2.96Å; Y174-T179 HydrophobicContact CD1-CG2 4.07Å; Y174-T179 HydrophobicContact CE1-CG2 4.22Å; Y174-L186 HydrophobicContact CE1-CD2 3.89Å; Y174-L186 WeakPolarHBondContact OH-CD2 3.27Å; Y174-D189 HydrophobicContact CE2-CB 4.42Å; Y174-D189 WeakPolarHBondContact CE2-OD2 3.31Å; Y174-D189 PolarHBondContact OH-OD2 2.67Å; Y174-V203 VanDerWaalsContact CB-O 3.22Å; Y174-V203 WeakPolarHBondContact CB-O 3.46Å; Y174-V203 HydrophobicContact CD2-CB 4.12Å; Y174-V203 HydrophobicContact CD2-CG2 4.04Å; Y174-V203 WeakPolarHBondContact CD2-O 3.19Å; Y174-V203 HydrophobicContact CE2-CB 4.35Å; Y174-V203 HydrophobicContact CE2-CG2 3.78Å; Y174-M204 HydrophobicContact CD2-CG 4.48Å; Y174-M204 HydrophobicContact CE1-CE 3.95Å; Y174-M204 HydrophobicContact CE1-CG 4.22Å; Y174-M204 HydrophobicContact CE2-CG 3.97Å; Y174-R205 WeakPolarHBondContact O-CD 3.37Å
175	A	97.1	Very high	95.4	Very high	67 Å²	67	38.8 Å²	38.8	55%	0.554	20%	0.201	S	C	*	.	H	α-helix	trans	-67.4	-17.1	176.5	0	0	0	0	0	113.5	R171 E172	R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 2.99Å; E172-A175 PolarHBondContact O-N 3.39Å
176	Q	98	Very high	95.6	Very high	58 Å²	58	36.1 Å²	36.1	27%	0.271	19%	0.19	S	C	.	.	S	Bend	trans	-69.5	166.8	176.4	-51.8	-53.5	-64	0	0	112.1	T157 E172 Y174 I178 R205	T157-Q176 PolarHBondContact OG1-OE1 3.38Å; E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-NE2 3.49Å; Y174-Q176 PolarHBondContact O-N 2.96Å; Q176-I178 VanDerWaalsContact C-N 3.29Å; Q176-I178 PolarHBondContact O-N 3.49Å; Q176-R205 PolarHBondContact O-NH1 2.9Å
177	D	98.4	Very high	95.7	Very high	29 Å²	29	32.8 Å²	32.8	16%	0.155	17%	0.169	C	C	.	.	S	Bend	trans	-66.6	-34	177	-61	-64.1	0	0	0	112.1	A124 G129 V130 L156 T157	A124-D177 HydrophobicContact CB-CB 4.38Å; G129-D177 CarbonylContact C-O 3.45Å; G129-D177 WeakPolarHBondContact CA-O 3.26Å; V130-D177 PolarHBondContact N-O 3.43Å; L156-D177 WeakPolarHBondContact CA-OD2 3.34Å; L156-D177 HydrophobicContact CB-CB 4.28Å; L156-D177 HydrophobicContact CD2-CB 4.26Å; T157-D177 PolarHBondContact N-OD2 3.36Å; T157-D177 PolarHBondContact O-N 3.11Å; T157-D177 PolarHBondContact OG1-N 3.43Å; T157-D177 PolarHBondContact OG1-OD2 3.24Å
178	I	98.6	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.9	-177.2	-58	161.8	0	0	0	108.5	T120 A124 V130 V132 Y151 L156 T157 V158 G159 Q176 Y180	T120-I178 HydrophobicContact CG2-CB 4.36Å; T120-I178 HydrophobicContact CG2-CD1 3.65Å; T120-I178 HydrophobicContact CG2-CG1 3.69Å; T120-I178 HydrophobicContact CG2-CG2 3.69Å; A124-I178 HydrophobicContact CB-CD1 4.37Å; A124-I178 HydrophobicContact CB-CG1 3.9Å; V130-I178 CarbonylContact O-C 3.59Å; V130-I178 WeakPolarHBondContact O-CA 3.3Å; V132-I178 HydrophobicContact CG2-CG2 3.98Å; Y151-I178 HydrophobicContact CD1-CD1 3.45Å; Y151-I178 VanDerWaalsContact CD1-CD1 3.45Å; Y151-I178 HydrophobicContact CD2-CD1 3.76Å; Y151-I178 HydrophobicContact CE1-CD1 3.66Å; Y151-I178 HydrophobicContact CE2-CD1 3.94Å; Y151-I178 HydrophobicContact CG-CD1 3.49Å; Y151-I178 VanDerWaalsContact CG-CD1 3.49Å; L156-I178 HydrophobicContact CB-CD1 4.45Å; L156-I178 HydrophobicContact CD1-CD1 4.04Å; T157-I178 PolarHBondContact O-N 3.09Å; T157-I178 VanDerWaalsContact O-N 3.12Å; V158-I178 CarbonylContact C-O 3.57Å; V158-I178 WeakPolarHBondContact CA-O 3.03Å; V158-I178 HydrophobicContact CG2-CB 4.42Å; V158-I178 HydrophobicContact CG2-CD1 4.42Å; G159-I178 PolarHBondContact N-O 2.98Å; Q176-I178 VanDerWaalsContact C-N 3.29Å; Q176-I178 PolarHBondContact O-N 3.49Å; I178-Y180 HydrophobicContact CG2-CD2 4.15Å; I178-Y180 HydrophobicContact CG2-CE2 3.9Å
179	T	98.6	Very high	96	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.1	176.3	-48.6	0	0	0	0	109.8	V130 H131 V132 G159 N161 A173 Y174	V130-T179 PolarHBondContact O-N 3.43Å; H131-T179 CarbonylContact C-O 3.57Å; H131-T179 WeakPolarHBondContact CA-O 3.29Å; V132-T179 PolarHBondContact N-O 3.47Å; G159-T179 WeakPolarHBondContact O-CA 2.91Å; N161-T179 HydrophobicContact CB-CG2 4.07Å; A173-T179 HydrophobicContact CB-CG2 4.49Å; A173-T179 PolarHBondContact O-OG1 2.92Å; Y174-T179 HydrophobicContact CD1-CG2 4.07Å; Y174-T179 HydrophobicContact CE1-CG2 4.22Å
180	Y	98.5	Very high	96	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.02	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.3	168.2	-81.4	-102.9	0	0	0	109.7	V132 Q143 M147 Y151 V158 G159 N161 I178	V132-Y180 HydrophobicContact CB-CD1 3.93Å; V132-Y180 HydrophobicContact CB-CD2 4.33Å; V132-Y180 HydrophobicContact CB-CE1 3.8Å; V132-Y180 HydrophobicContact CB-CE2 4.2Å; V132-Y180 HydrophobicContact CB-CG 4.19Å; V132-Y180 HydrophobicContact CG1-CD1 3.85Å; V132-Y180 HydrophobicContact CG1-CE1 3.42Å; V132-Y180 VanDerWaalsContact CG1-CE1 3.42Å; V132-Y180 HydrophobicContact CG2-CE1 4.48Å; V132-Y180 HydrophobicContact CG2-CE2 4.25Å; V132-Y180 WeakPolarHBondContact O-CA 3.34Å; Q143-Y180 HydrophobicContact CB-CD1 4.28Å; Q143-Y180 HydrophobicContact CB-CE1 3.85Å; M147-Y180 WeakPolarHBondContact CB-OH 3.43Å; Y151-Y180 HydrophobicContact CE2-CE2 4.2Å; V158-Y180 HydrophobicContact CG1-CD2 3.62Å; V158-Y180 HydrophobicContact CG1-CE2 3.88Å; G159-Y180 PolarHBondContact O-N 3.47Å; N161-Y180 PolarHBondContact N-O 2.88Å; I178-Y180 HydrophobicContact CG2-CD2 4.15Å; I178-Y180 HydrophobicContact CG2-CE2 3.9Å
181	S	96.8	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	172.9	-179.5	-166.9	0	0	0	0	111.4	V132 I133 T134 S140 N161	V132-S181 PolarHBondContact O-N 3.48Å; I133-S181 WeakPolarHBondContact CA-O 3.47Å; T134-S181 PolarHBondContact N-O 3.15Å; S140-S181 PolarHBondContact OG-O 3.37Å; N161-S181 PolarHBondContact ND2-OG 3.23Å; N161-S181 VanDerWaalsContact ND2-OG 3.14Å
182	T	93.1	Very high	95.6	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	157.8	165.1	69.2	0	0	0	0	110.8	T134 E137 N184 E185 L186	T134-T182 WeakPolarHBondContact O-CA 3.27Å; E137-T182 HydrophobicContact CB-CG2 4.41Å; E137-T182 HydrophobicContact CG-CG2 3.78Å; T182-N184 VanDerWaalsContact C-N 3.29Å; T182-N184 PolarHBondContact O-N 2.85Å; T182-E185 PolarHBondContact O-N 2.98Å; T182-E185 WeakPolarHBondContact OG1-CB 2.87Å; T182-E185 PolarHBondContact OG1-N 3.07Å; T182-E185 VanDerWaalsContact OG1-N 3.13Å; T182-L186 WeakPolarHBondContact O-CG 3.24Å; T182-L186 PolarHBondContact O-N 3.35Å; T182-L186 VanDerWaalsContact O-N 3.15Å
183	N	91.8	Very high	95.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-41.7	173.2	58.2	-57.3	0	0	0	111.8	I133 G187 I218 E222 F363 F367	I133-N183 HydrophobicContact CG2-CB 3.95Å; N183-G187 PolarHBondContact O-N 3.04Å; N183-I218 HydrophobicContact CB-CD1 4.15Å; N183-I218 HydrophobicContact CB-CG1 4.32Å; N183-I218 HydrophobicContact CB-CG2 3.66Å; N183-E222 PolarHBondContact ND2-OE2 3Å; N183-F363 HydrophobicContact CB-CD1 4.47Å; N183-F363 HydrophobicContact CB-CE1 3.98Å; N183-F363 HydrophobicContact CB-CZ 4.38Å; N183-F363 WeakPolarHBondContact ND2-CE2 3.33Å; N183-F363 WeakPolarHBondContact ND2-CZ 3.43Å; N183-F363 WeakPolarHBondContact O-CE1 3.4Å; N183-F367 HydrophobicContact CB-CE2 4.13Å; N183-F367 HydrophobicContact CB-CZ 3.86Å
184	N	91	Very high	95.1	Very high	40 Å²	40	15.5 Å²	15.5	21%	0.214	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-53	176.2	-73.7	-53.3	0	0	0	111.8	T182 L186 G187 F188 F363 H802	T182-N184 VanDerWaalsContact C-N 3.29Å; T182-N184 PolarHBondContact O-N 2.85Å; N184-L186 PolarHBondContact O-N 2.69Å; N184-G187 PolarHBondContact O-N 3.23Å; N184-F188 HydrophobicContact CB-CE2 4.43Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 2.93Å; N184-F363 WeakPolarHBondContact OD1-CZ 3.41Å; N184-H802 PolarHBondContact OD1-CD2 3.37Å
185	E	94.2	Very high	94.6	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.019	9%	0.089	C	C	.	.	H	α-helix	trans	-66.7	-40	-173.2	-164	58.4	-145.5	0	0	112.1	N161 N163 K170 T182 G187 F188 D189 R192	N161-E185 WeakPolarHBondContact ND2-CG 3.03Å; N163-E185 WeakPolarHBondContact CA-OE2 3.34Å; N163-E185 VanDerWaalsContact CB-OE2 3.28Å; N163-E185 WeakPolarHBondContact CB-OE2 3.42Å; K170-E185 WeakPolarHBondContact CE-OE1 3.43Å; K170-E185 IonicContact NZ-OE1 2.89Å; K170-E185 PolarHBondContact NZ-OE1 2.99Å; T182-E185 PolarHBondContact O-N 2.98Å; T182-E185 WeakPolarHBondContact OG1-CB 2.87Å; T182-E185 PolarHBondContact OG1-N 3.07Å; T182-E185 VanDerWaalsContact OG1-N 3.13Å; E185-G187 VanDerWaalsContact C-N 3.31Å; E185-G187 PolarHBondContact O-N 3.03Å; E185-F188 PolarHBondContact O-N 2.75Å; E185-D189 WeakPolarHBondContact O-CB 3.32Å; E185-D189 PolarHBondContact O-N 2.74Å; E185-R192 IonicContact OE1-CZ 3.91Å; E185-R192 IonicContact OE1-NH1 2.79Å; E185-R192 IonicContact OE1-NH2 3.52Å; E185-R192 PolarHBondContact OE1-NH2 3.48Å
186	L	95.7	Very high	94.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-44	174	-74.4	176.7	0	0	0	112.3	H131 I133 Y174 T182 N184 Y190 M204 Y366	H131-L186 HydrophobicContact CB-CD1 4.48Å; I133-L186 HydrophobicContact CD1-CD1 3.32Å; I133-L186 HydrophobicContact CG1-CD1 3.61Å; I133-L186 HydrophobicContact CG2-CD1 4.26Å; Y174-L186 HydrophobicContact CE1-CD2 3.89Å; Y174-L186 WeakPolarHBondContact OH-CD2 3.27Å; T182-L186 WeakPolarHBondContact O-CG 3.24Å; T182-L186 PolarHBondContact O-N 3.35Å; T182-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact O-N 2.69Å; L186-Y190 WeakPolarHBondContact O-CB 2.88Å; L186-Y190 PolarHBondContact O-N 3.13Å; L186-M204 HydrophobicContact CD2-CE 4.2Å; L186-Y366 HydrophobicContact CB-CE1 3.95Å
187	G	94	Very high	93.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-70.1	-36.8	178.6	0	0	0	0	0	112.6	N183 N184 E185 Y190 L191 L227	N183-G187 PolarHBondContact O-N 3.04Å; N184-G187 PolarHBondContact O-N 3.23Å; E185-G187 VanDerWaalsContact C-N 3.31Å; E185-G187 PolarHBondContact O-N 3.03Å; G187-Y190 PolarHBondContact O-N 2.88Å; G187-L191 WeakPolarHBondContact O-CG 3.42Å; G187-L191 PolarHBondContact O-N 3.17Å; G187-L227 VanDerWaalsContact CA-CD1 3.48Å
188	F	93.4	Very high	93	Very high	11 Å²	11	12.6 Å²	12.6	5%	0.048	6%	0.058	C	C	.	.	H	α-helix	trans	-70.5	-38.7	174.7	-74.8	-57.6	0	0	0	113.3	N184 E185 Y190 L191 R192 L227 I228 I229 A800 H802	N184-F188 HydrophobicContact CB-CE2 4.43Å; N184-F188 WeakPolarHBondContact O-CD2 3.4Å; N184-F188 PolarHBondContact O-N 2.93Å; E185-F188 PolarHBondContact O-N 2.75Å; F188-Y190 VanDerWaalsContact C-N 3.29Å; F188-Y190 PolarHBondContact O-N 3.42Å; F188-L191 HydrophobicContact CD1-CD1 4.37Å; F188-L191 PolarHBondContact O-N 3.03Å; F188-R192 WeakPolarHBondContact O-CB 3.32Å; F188-R192 WeakPolarHBondContact O-CG 3.27Å; F188-R192 PolarHBondContact O-N 3.3Å; F188-R192 PolarHBondContact O-NE 2.89Å; F188-L227 HydrophobicContact CD2-CD2 4.01Å; F188-L227 HydrophobicContact CE1-CB 4.14Å; F188-L227 HydrophobicContact CE1-CD2 4.01Å; F188-L227 HydrophobicContact CE2-CD2 3.46Å; F188-L227 VanDerWaalsContact CE2-CD2 3.46Å; F188-L227 HydrophobicContact CG-CD2 4.49Å; F188-L227 HydrophobicContact CZ-CB 4.33Å; F188-L227 HydrophobicContact CZ-CD2 3.44Å; F188-L227 VanDerWaalsContact CZ-CD2 3.44Å; F188-I228 WeakPolarHBondContact CE1-O 3.37Å; F188-I229 HydrophobicContact CD1-CG1 4.03Å; F188-I229 HydrophobicContact CE1-CG1 4.37Å; F188-A800 HydrophobicContact CD1-CB 3.94Å; F188-A800 HydrophobicContact CE1-CB 3.98Å; F188-A800 HydrophobicContact CG-CB 4.26Å; F188-A800 HydrophobicContact CZ-CB 4.32Å; F188-H802 HydrophobicContact CE2-CB 4.28Å; F188-H802 HydrophobicContact CZ-CB 4.22Å
189	D	95.3	Very high	92.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-60.8	-42.2	172	-74.3	-22.8	0	0	0	110.6	N161 K170 Y174 E185 L191 R192 D193 V203 M204	N161-D189 PolarHBondContact ND2-OD2 3.19Å; K170-D189 IonicContact NZ-OD1 3.57Å; K170-D189 PolarHBondContact NZ-OD1 3.01Å; Y174-D189 HydrophobicContact CE2-CB 4.42Å; Y174-D189 WeakPolarHBondContact CE2-OD2 3.31Å; Y174-D189 PolarHBondContact OH-OD2 2.67Å; E185-D189 WeakPolarHBondContact O-CB 3.32Å; E185-D189 PolarHBondContact O-N 2.74Å; D189-L191 PolarHBondContact O-N 3.02Å; D189-R192 PolarHBondContact O-N 3.4Å; D189-R192 IonicContact OD1-CZ 3.24Å; D189-R192 IonicContact OD1-NE 2.74Å; D189-R192 IonicContact OD1-NH2 2.77Å; D189-R192 PolarHBondContact OD1-NH2 3.25Å; D189-D193 WeakPolarHBondContact O-CB 3.43Å; D189-D193 PolarHBondContact O-N 3.09Å; D189-V203 HydrophobicContact CB-CG2 4.08Å; D189-M204 HydrophobicContact CB-CG 3.87Å; D189-M204 HydrophobicContact CB-SD 3.78Å
190	Y	95.3	Very high	92.1	Very high	29 Å²	29	21.8 Å²	21.8	11%	0.114	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-44.4	174.6	169.7	-94	0	0	0	112.2	L186 G187 F188 N194 M204 I361 Y366 M369 Y617	L186-Y190 WeakPolarHBondContact O-CB 2.88Å; L186-Y190 PolarHBondContact O-N 3.13Å; G187-Y190 PolarHBondContact O-N 2.88Å; F188-Y190 VanDerWaalsContact C-N 3.29Å; F188-Y190 PolarHBondContact O-N 3.42Å; Y190-N194 VanDerWaalsContact CE2-ND2 3.33Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.23Å; Y190-N194 PolarHBondContact O-N 2.85Å; Y190-N194 PolarHBondContact O-ND2 3.29Å; Y190-M204 VanDerWaalsContact CA-SD 3.54Å; Y190-M204 PolarHBondContact N-SD 3.44Å; Y190-I361 HydrophobicContact CD1-CD1 3.99Å; Y190-I361 HydrophobicContact CE1-CD1 3.53Å; Y190-Y366 HydrophobicContact CD1-CD2 4.02Å; Y190-Y366 HydrophobicContact CD1-CE2 4.31Å; Y190-Y366 HydrophobicContact CD2-CD2 4.45Å; Y190-Y366 HydrophobicContact CD2-CE2 4.12Å; Y190-Y366 AromaticContact CG-CD2 3.9Å; Y190-Y366 HydrophobicContact CG-CD2 3.9Å; Y190-Y366 AromaticContact CG-CE2 3.72Å; Y190-Y366 HydrophobicContact CG-CE2 3.72Å; Y190-M369 HydrophobicContact CE2-CE 3.56Å; Y190-M369 HydrophobicContact CE2-SD 4.13Å; Y190-M369 WeakPolarHBondContact OH-CE 3.34Å; Y190-Y617 HydrophobicContact CE1-CE2 4.12Å; Y190-Y617 WeakPolarHBondContact OH-CD2 3.1Å
191	L	93	Very high	91.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-45.2	176.8	-68.8	179.9	0	0	0	111.1	G187 F188 D189 N194 M195 L227 I229 A359 I361	G187-L191 WeakPolarHBondContact O-CG 3.42Å; G187-L191 PolarHBondContact O-N 3.17Å; F188-L191 HydrophobicContact CD1-CD1 4.37Å; F188-L191 PolarHBondContact O-N 3.03Å; D189-L191 PolarHBondContact O-N 3.02Å; L191-N194 PolarHBondContact O-N 2.93Å; L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.46Å; L191-L227 HydrophobicContact CD1-CB 4.2Å; L191-I229 HydrophobicContact CB-CD1 3.52Å; L191-I229 HydrophobicContact CB-CG1 4.21Å; L191-I229 HydrophobicContact CD1-CD1 4.27Å; L191-I229 HydrophobicContact CD1-CG1 4.02Å; L191-A359 HydrophobicContact CB-CB 4.27Å; L191-A359 HydrophobicContact CD1-CB 4.41Å; L191-A359 HydrophobicContact CD2-CB 3.97Å; L191-A359 HydrophobicContact CG-CB 4.44Å; L191-I361 HydrophobicContact CD1-CG2 4.06Å; L191-I361 HydrophobicContact CD2-CB 3.94Å; L191-I361 HydrophobicContact CD2-CG2 3.65Å; L191-I361 HydrophobicContact CG-CG2 3.87Å
192	R	91.4	Very high	91.5	Very high	48 Å²	48	26.2 Å²	26.2	18%	0.181	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-42.4	178	-75.6	-178.4	-70.5	-116.4	-6.4	112.7	E185 F188 D189 N194 M195 V196 I229 F797	E185-R192 IonicContact OE1-CZ 3.91Å; E185-R192 IonicContact OE1-NH1 2.79Å; E185-R192 IonicContact OE1-NH2 3.52Å; E185-R192 PolarHBondContact OE1-NH2 3.48Å; F188-R192 WeakPolarHBondContact O-CB 3.32Å; F188-R192 WeakPolarHBondContact O-CG 3.27Å; F188-R192 PolarHBondContact O-N 3.3Å; F188-R192 PolarHBondContact O-NE 2.89Å; D189-R192 PolarHBondContact O-N 3.4Å; D189-R192 IonicContact OD1-CZ 3.24Å; D189-R192 IonicContact OD1-NE 2.74Å; D189-R192 IonicContact OD1-NH2 2.77Å; D189-R192 PolarHBondContact OD1-NH2 3.25Å; R192-N194 PolarHBondContact O-N 3.45Å; R192-M195 CarbonylContact O-C 3.56Å; R192-M195 WeakPolarHBondContact O-CA 3.48Å; R192-M195 WeakPolarHBondContact O-CB 3.38Å; R192-M195 PolarHBondContact O-N 3.26Å; R192-V196 WeakPolarHBondContact O-CG1 3.28Å; R192-V196 PolarHBondContact O-N 2.7Å; R192-V196 VanDerWaalsContact O-N 3.12Å; R192-I229 HydrophobicContact CG-CD1 3.88Å; R192-F797 HydrophobicContact CG-CD2 4.37Å
193	D	93.7	Very high	91.6	Very high	14 Å²	14	26.5 Å²	26.5	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-25.4	177.3	-85.3	10	0	0	0	113	D189 M195 V196 R202 V203 M204	D189-D193 WeakPolarHBondContact O-CB 3.43Å; D189-D193 PolarHBondContact O-N 3.09Å; D193-M195 VanDerWaalsContact C-N 3.33Å; D193-V196 WeakPolarHBondContact O-CG2 3.35Å; D193-R202 HydrophobicContact CB-CB 4.48Å; D193-R202 HydrophobicContact CB-CG 4.31Å; D193-R202 WeakPolarHBondContact OD1-CA 3.38Å; D193-V203 PolarHBondContact OD1-N 3.12Å; D193-V203 PolarHBondContact OD2-N 3.1Å; D193-M204 WeakPolarHBondContact OD2-CA 2.96Å; D193-M204 WeakPolarHBondContact OD2-CB 3.35Å; D193-M204 VanDerWaalsContact OD2-CG 3.29Å; D193-M204 WeakPolarHBondContact OD2-CG 3.37Å; D193-M204 PolarHBondContact OD2-N 2.9Å
194	N	91.3	Very high	91.8	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.07	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.8	172.7	-70.2	-83.1	0	0	0	113.2	Y190 L191 R192 Y617 R620	Y190-N194 VanDerWaalsContact CE2-ND2 3.33Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.23Å; Y190-N194 PolarHBondContact O-N 2.85Å; Y190-N194 PolarHBondContact O-ND2 3.29Å; L191-N194 PolarHBondContact O-N 2.93Å; R192-N194 PolarHBondContact O-N 3.45Å; N194-Y617 HydrophobicContact CB-CD1 4.41Å; N194-Y617 HydrophobicContact CB-CD2 3.74Å; N194-Y617 HydrophobicContact CB-CE1 4.23Å; N194-Y617 HydrophobicContact CB-CE2 3.49Å; N194-Y617 VanDerWaalsContact CB-CE2 3.49Å; N194-Y617 HydrophobicContact CB-CG 4.2Å; N194-Y617 VanDerWaalsContact CG-CE2 3.48Å; N194-Y617 WeakPolarHBondContact OD1-CD2 3.39Å; N194-R620 WeakPolarHBondContact O-CD 3.38Å; N194-R620 PolarHBondContact O-NE 2.82Å; N194-R620 PolarHBondContact O-NH1 3Å
195	M	87.6	Confident	92	Very high	22 Å²	22	29.4 Å²	29.4	11%	0.108	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-6.5	175.1	-65.1	175.4	70.1	0	0	112.7	L191 R192 D193 I229 M358 A359 R620 F797	L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.46Å; R192-M195 CarbonylContact O-C 3.56Å; R192-M195 WeakPolarHBondContact O-CA 3.48Å; R192-M195 WeakPolarHBondContact O-CB 3.38Å; R192-M195 PolarHBondContact O-N 3.26Å; D193-M195 VanDerWaalsContact C-N 3.33Å; M195-I229 HydrophobicContact CE-CG2 4.4Å; M195-I229 HydrophobicContact SD-CD1 3.84Å; M195-I229 HydrophobicContact SD-CG2 4.28Å; M195-M358 HydrophobicContact CE-CB 3.62Å; M195-M358 HydrophobicContact CE-CE 4.24Å; M195-M358 HydrophobicContact CE-CG 4.27Å; M195-M358 HydrophobicContact SD-CB 4.44Å; M195-A359 HydrophobicContact SD-CB 3.83Å; M195-R620 VanDerWaalsContact C-NH2 3.32Å; M195-R620 PolarHBondContact O-NH2 2.86Å; M195-F797 HydrophobicContact CB-CD1 4.13Å; M195-F797 HydrophobicContact CB-CE1 3.71Å; M195-F797 HydrophobicContact CB-CZ 4.04Å; M195-F797 HydrophobicContact CE-CD1 3.59Å; M195-F797 HydrophobicContact CE-CE1 4.15Å; M195-F797 HydrophobicContact CE-CG 4.35Å; M195-F797 WeakPolarHBondContact O-CE1 3.34Å; M195-F797 WeakPolarHBondContact O-CZ 3.44Å; M195-F797 HydrophobicContact SD-CD1 4.45Å
196	V	89.4	Confident	92	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	17%	0.167	C	C	.	.			trans	-67.5	152.6	178.4	-57.5	0	0	0	0	111.9	R192 D193 Y198 D201 R202 R620 I624	R192-V196 WeakPolarHBondContact O-CG1 3.28Å; R192-V196 PolarHBondContact O-N 2.7Å; R192-V196 VanDerWaalsContact O-N 3.12Å; D193-V196 WeakPolarHBondContact O-CG2 3.35Å; V196-Y198 VanDerWaalsContact CG2-O 3.23Å; V196-Y198 WeakPolarHBondContact CG2-O 3.33Å; V196-D201 HydrophobicContact CB-CB 3.88Å; V196-D201 HydrophobicContact CG1-CB 3.9Å; V196-D201 HydrophobicContact CG2-CB 4.48Å; V196-R202 HydrophobicContact CG2-CG 3.65Å; V196-R620 PolarHBondContact O-NH1 2.81Å; V196-R620 PolarHBondContact O-NH2 2.85Å; V196-I624 WeakPolarHBondContact O-CD1 3.41Å
197	N	84.1	Confident	92	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	-91.7	-21.8	177	-66.9	-27.5	0	0	0	112.7	R791 E792	N197-R791 HydrophobicContact CB-CB 4.04Å; N197-R791 PolarHBondContact O-NH1 3.39Å; N197-E792 PolarHBondContact ND2-O 3.14Å
198	Y	85.6	Confident	92.1	Very high	39 Å²	39	36.4 Å²	36.4	15%	0.153	18%	0.18	C	C	.	.	S	Bend	trans	-124.5	143	-179.9	-59.4	-94.3	0	0	0	110.8	V196 E200 D201 R791 K793	V196-Y198 VanDerWaalsContact CG2-O 3.23Å; V196-Y198 WeakPolarHBondContact CG2-O 3.33Å; Y198-E200 VanDerWaalsContact C-N 3.27Å; Y198-E200 PolarHBondContact O-N 3.08Å; Y198-D201 WeakPolarHBondContact CD2-OD2 3.28Å; Y198-D201 WeakPolarHBondContact O-CB 3.26Å; Y198-D201 PolarHBondContact O-N 3.34Å; Y198-D201 VanDerWaalsContact O-N 3.08Å; Y198-R791 HydrophobicContact CE1-CG 4.4Å; Y198-R791 VanDerWaalsContact CE1-NH2 3.26Å; Y198-R791 HydrophobicContact CE2-CB 3.79Å; Y198-R791 HydrophobicContact CE2-CG 4.22Å; Y198-R791 VanDerWaalsContact CZ-CD 3.44Å; Y198-R791 WeakPolarHBondContact OH-CB 3.45Å; Y198-R791 WeakPolarHBondContact OH-CG 3.29Å; Y198-R791 PolarHBondContact OH-N 3.18Å; Y198-K793 HydrophobicContact CE2-CG 4.27Å
199	S	89.5	Confident	92.4	Very high	58 Å²	58	36.3 Å²	36.3	41%	0.406	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60.6	-36.4	179.7	55	0	0	0	0	112.7	D201 R202 D625	S199-D201 PolarHBondContact O-N 3.29Å; S199-R202 WeakPolarHBondContact O-CB 3.29Å; S199-R202 WeakPolarHBondContact O-CG 3.49Å; S199-R202 PolarHBondContact O-N 3.06Å; S199-D625 WeakPolarHBondContact CB-OD1 3.49Å
200	E	88.7	Confident	92.5	Very high	135 Å²	135	36.2 Å²	36.2	63%	0.631	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-66.9	-20.3	176.3	54.3	-170.3	-140.1	0	0	114.1	R171 Y198 R202	R171-E200 VanDerWaalsContact CZ-O 3.3Å; R171-E200 PolarHBondContact NE-O 3.35Å; R171-E200 PolarHBondContact NH2-O 2.93Å; Y198-E200 VanDerWaalsContact C-N 3.27Å; Y198-E200 PolarHBondContact O-N 3.08Å; E200-R202 VanDerWaalsContact C-N 3.27Å; E200-R202 PolarHBondContact O-N 3.49Å
201	D	89.3	Confident	92.7	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.241	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-77.6	-13.8	175.7	-70.1	-28.8	0	0	0	112.5	V196 Y198 S199	V196-D201 HydrophobicContact CB-CB 3.88Å; V196-D201 HydrophobicContact CG1-CB 3.9Å; V196-D201 HydrophobicContact CG2-CB 4.48Å; Y198-D201 WeakPolarHBondContact CD2-OD2 3.28Å; Y198-D201 WeakPolarHBondContact O-CB 3.26Å; Y198-D201 PolarHBondContact O-N 3.34Å; Y198-D201 VanDerWaalsContact O-N 3.08Å; S199-D201 PolarHBondContact O-N 3.29Å
202	R	94.2	Very high	92.8	Very high	53 Å²	53	34.9 Å²	34.9	20%	0.2	17%	0.174	C	C	.	.			trans	-63.7	146.5	172.6	-61	-177.1	-175.4	145.8	1.7	110.9	R171 D193 V196 S199 E200 N621 D625	R171-R202 PolarHBondContact NE-O 3.47Å; R171-R202 VanDerWaalsContact NE-O 3.12Å; D193-R202 HydrophobicContact CB-CB 4.48Å; D193-R202 HydrophobicContact CB-CG 4.31Å; D193-R202 WeakPolarHBondContact OD1-CA 3.38Å; V196-R202 HydrophobicContact CG2-CG 3.65Å; S199-R202 WeakPolarHBondContact O-CB 3.29Å; S199-R202 WeakPolarHBondContact O-CG 3.49Å; S199-R202 PolarHBondContact O-N 3.06Å; E200-R202 VanDerWaalsContact C-N 3.27Å; E200-R202 PolarHBondContact O-N 3.49Å; R202-N621 PolarHBondContact NH2-OD1 3.17Å; R202-D625 IonicContact CZ-OD1 3.65Å; R202-D625 IonicContact CZ-OD2 2.63Å; R202-D625 VanDerWaalsContact NH1-CG 3.3Å; R202-D625 IonicContact NH1-OD1 2.62Å; R202-D625 PolarHBondContact NH1-OD1 2.93Å; R202-D625 IonicContact NH1-OD2 3.39Å; R202-D625 PolarHBondContact NH1-OD2 2.87Å; R202-D625 IonicContact NH2-OD1 3.03Å; R202-D625 PolarHBondContact NH2-OD1 3.44Å; R202-D625 IonicContact NH2-OD2 2.76Å; R202-D625 PolarHBondContact NH2-OD2 3.5Å
203	V	95.2	Very high	93	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.167	C	C	.	.			trans	-110.1	-30.3	177.9	-56.9	0	0	0	0	112.9	T167 K170 R171 Y174 D189 D193	T167-V203 HydrophobicContact CG2-CG1 3.53Å; T167-V203 WeakPolarHBondContact O-CG1 3.24Å; K170-V203 HydrophobicContact CB-CB 4.15Å; K170-V203 HydrophobicContact CB-CG1 4.13Å; K170-V203 HydrophobicContact CB-CG2 4.37Å; R171-V203 HydrophobicContact CB-CB 4.36Å; R171-V203 HydrophobicContact CB-CG1 4.29Å; Y174-V203 VanDerWaalsContact CB-O 3.22Å; Y174-V203 WeakPolarHBondContact CB-O 3.46Å; Y174-V203 HydrophobicContact CD2-CB 4.12Å; Y174-V203 HydrophobicContact CD2-CG2 4.04Å; Y174-V203 WeakPolarHBondContact CD2-O 3.19Å; Y174-V203 HydrophobicContact CE2-CB 4.35Å; Y174-V203 HydrophobicContact CE2-CG2 3.78Å; D189-V203 HydrophobicContact CB-CG2 4.08Å; D193-V203 PolarHBondContact OD1-N 3.12Å; D193-V203 PolarHBondContact OD2-N 3.1Å
204	M	96	Very high	92.8	Very high	27 Å²	27	32.9 Å²	32.9	13%	0.133	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-85.4	155.2	-173.8	-58.6	-167.5	73.3	0	0	112.8	Y174 L186 D189 Y190 D193 L207	Y174-M204 HydrophobicContact CD2-CG 4.48Å; Y174-M204 HydrophobicContact CE1-CE 3.95Å; Y174-M204 HydrophobicContact CE1-CG 4.22Å; Y174-M204 HydrophobicContact CE2-CG 3.97Å; L186-M204 HydrophobicContact CD2-CE 4.2Å; D189-M204 HydrophobicContact CB-CG 3.87Å; D189-M204 HydrophobicContact CB-SD 3.78Å; Y190-M204 VanDerWaalsContact CA-SD 3.54Å; Y190-M204 PolarHBondContact N-SD 3.44Å; D193-M204 WeakPolarHBondContact OD2-CA 2.96Å; D193-M204 WeakPolarHBondContact OD2-CB 3.35Å; D193-M204 VanDerWaalsContact OD2-CG 3.29Å; D193-M204 WeakPolarHBondContact OD2-CG 3.37Å; D193-M204 PolarHBondContact OD2-N 2.9Å; M204-L207 HydrophobicContact CE-CD2 3.78Å
205	R	94.8	Very high	92.9	Very high	74 Å²	74	32.3 Å²	32.3	28%	0.279	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-96.8	165	166.7	-62.7	172.6	64.3	176.2	6.8	110	G127 R128 Y174 Q176	G127-R205 PolarHBondContact O-NH2 2.74Å; R128-R205 VanDerWaalsContact C-NH2 3.27Å; R128-R205 PolarHBondContact O-NH2 3.43Å; Y174-R205 WeakPolarHBondContact O-CD 3.37Å; Q176-R205 PolarHBondContact O-NH1 2.9Å
206	P	94.6	Very high	93	Very high	95 Å²	95	31.2 Å²	31.2	62%	0.617	16%	0.158	S	C	*	.	P	Polyproline II helix	trans	-54.9	144	173.3	-24.4	33.7	0	0	0	112.8	H208	P206-H208 PolarHBondContact O-CD2 3.43Å; P206-H208 PolarHBondContact O-N 3.23Å; P206-H208 VanDerWaalsContact O-N 3.1Å
207	L	96.5	Very high	92.8	Very high	21 Å²	21	30.8 Å²	30.8	11%	0.11	16%	0.156	C	C	.	.			trans	-78.3	97.7	-170.8	-56.2	-178.6	0	0	0	112	M204 Y366 M369 Y370 N371	M204-L207 HydrophobicContact CE-CD2 3.78Å; L207-Y366 HydrophobicContact CD1-CE2 4.05Å; L207-M369 HydrophobicContact CD1-CB 3.81Å; L207-Y370 HydrophobicContact CB-CD1 3.88Å; L207-Y370 HydrophobicContact CB-CD2 4.27Å; L207-Y370 HydrophobicContact CB-CE1 4.01Å; L207-Y370 HydrophobicContact CB-CE2 4.4Å; L207-Y370 HydrophobicContact CB-CG 4.02Å; L207-Y370 HydrophobicContact CD1-CD2 4.2Å; L207-Y370 HydrophobicContact CD1-CE2 4.05Å; L207-Y370 HydrophobicContact CD2-CE1 4.11Å; L207-Y370 HydrophobicContact CD2-CE2 4.2Å; L207-Y370 HydrophobicContact CG-CE2 4.45Å; L207-N371 PolarHBondContact O-N 2.9Å; L207-N371 VanDerWaalsContact O-N 3.1Å
208	H	96.1	Very high	93.1	Very high	35 Å²	35	29.6 Å²	29.6	16%	0.162	15%	0.149	C	C	.	.			trans	-100.2	-62.6	-172.6	-66.3	-56.1	0	0	0	114.6	R128 P206 N371 K372	R128-H208 HydrophobicContact CB-CB 4.23Å; R128-H208 PolarHBondContact O-CD2 3.45Å; P206-H208 PolarHBondContact O-CD2 3.43Å; P206-H208 PolarHBondContact O-N 3.23Å; P206-H208 VanDerWaalsContact O-N 3.1Å; H208-N371 PolarHBondContact ND1-ND2 2.75Å; H208-K372 PolarHBondContact O-N 3.01Å
209	F	98.1	Very high	93.3	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.039	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.9	-178.2	-177.2	-125.1	0	0	0	111.1	I98 N123 V130 H131 I211 K372 A374	I98-F209 HydrophobicContact CG2-CZ 4.19Å; N123-F209 HydrophobicContact CB-CB 4.45Å; N123-F209 HydrophobicContact CB-CD1 3.34Å; N123-F209 HydrophobicContact CB-CE1 3.74Å; N123-F209 HydrophobicContact CB-CG 4.06Å; N123-F209 VanDerWaalsContact CG-CD1 3.42Å; N123-F209 VanDerWaalsContact CG-CE1 3.48Å; N123-F209 WeakPolarHBondContact ND2-CE1 3.4Å; N123-F209 WeakPolarHBondContact ND2-CZ 3.36Å; V130-F209 HydrophobicContact CB-CD1 4.44Å; V130-F209 HydrophobicContact CG1-CD1 3.64Å; V130-F209 HydrophobicContact CG1-CE1 4.21Å; V130-F209 HydrophobicContact CG2-CD1 4.01Å; H131-F209 PolarHBondContact N-O 2.61Å; F209-I211 HydrophobicContact CD1-CG1 4.41Å; F209-I211 HydrophobicContact CE1-CD1 3.63Å; F209-I211 HydrophobicContact CE1-CG1 3.57Å; F209-I211 HydrophobicContact CE2-CG1 4.39Å; F209-I211 HydrophobicContact CZ-CD1 3.94Å; F209-I211 HydrophobicContact CZ-CG1 3.56Å; F209-K372 VanDerWaalsContact CA-O 3.31Å; F209-K372 WeakPolarHBondContact CA-O 3.36Å; F209-K372 HydrophobicContact CD2-CB 3.79Å; F209-K372 HydrophobicContact CD2-CD 3.46Å; F209-K372 VanDerWaalsContact CD2-CD 3.46Å; F209-K372 HydrophobicContact CD2-CG 3.6Å; F209-K372 WeakPolarHBondContact CD2-O 3.38Å; F209-K372 HydrophobicContact CE2-CB 4.48Å; F209-K372 HydrophobicContact CE2-CD 3.5Å; F209-K372 VanDerWaalsContact CE2-CD 3.5Å; F209-K372 HydrophobicContact CE2-CG 3.8Å; F209-K372 HydrophobicContact CG-CD 4.45Å; F209-A374 HydrophobicContact CE2-CB 3.79Å; F209-A374 HydrophobicContact CZ-CB 4.1Å
210	A	98.3	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.5	174.3	0	0	0	0	0	111.4	H131 I133 Y370 K372 L373 A374	H131-A210 HydrophobicContact CB-CB 4.28Å; H131-A210 CarbonylContact O-C 3.6Å; H131-A210 VanDerWaalsContact O-CA 3.29Å; H131-A210 WeakPolarHBondContact O-CA 3.4Å; I133-A210 HydrophobicContact CD1-CB 3.81Å; A210-Y370 HydrophobicContact CB-CD1 3.61Å; A210-Y370 HydrophobicContact CB-CE1 3.44Å; A210-Y370 VanDerWaalsContact CB-CE1 3.44Å; A210-Y370 HydrophobicContact CB-CE2 4.39Å; A210-Y370 HydrophobicContact CB-CG 4.15Å; A210-K372 PolarHBondContact N-O 3.12Å; A210-L373 HydrophobicContact CB-CD1 3.91Å; A210-A374 PolarHBondContact O-N 3.3Å
211	I	98.3	Very high	92.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.6	169.3	-57.3	169.6	0	0	0	107.9	I98 P119 T120 H131 I133 F209 A374	I98-I211 HydrophobicContact CG2-CB 4.42Å; I98-I211 HydrophobicContact CG2-CD1 3.69Å; I98-I211 HydrophobicContact CG2-CG1 3.64Å; I98-I211 HydrophobicContact CG2-CG2 3.95Å; P119-I211 HydrophobicContact CB-CD1 4.24Å; P119-I211 HydrophobicContact CG-CD1 4.02Å; T120-I211 VanDerWaalsContact OG1-CD1 3.27Å; T120-I211 WeakPolarHBondContact OG1-CD1 3.42Å; H131-I211 PolarHBondContact O-N 3.31Å; I133-I211 PolarHBondContact N-O 2.86Å; F209-I211 HydrophobicContact CD1-CG1 4.41Å; F209-I211 HydrophobicContact CE1-CD1 3.63Å; F209-I211 HydrophobicContact CE1-CG1 3.57Å; F209-I211 HydrophobicContact CE2-CG1 4.39Å; F209-I211 HydrophobicContact CZ-CD1 3.94Å; F209-I211 HydrophobicContact CZ-CG1 3.56Å; I211-A374 WeakPolarHBondContact CA-O 3.31Å; I211-A374 HydrophobicContact CG1-CB 4.49Å
212	I	97	Very high	92.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119	177.7	-56.7	177.7	0	0	0	110.3	I133 V215 I218 L219 F367 L373 A374 G375 M376	I133-I212 HydrophobicContact CB-CG1 4.18Å; I133-I212 HydrophobicContact CD1-CG1 3.91Å; I133-I212 HydrophobicContact CG1-CG1 4.39Å; I212-V215 HydrophobicContact CB-CB 4.12Å; I212-V215 HydrophobicContact CB-CG2 4.08Å; I212-V215 HydrophobicContact CD1-CG2 4.46Å; I212-V215 HydrophobicContact CG2-CB 4.1Å; I212-V215 HydrophobicContact CG2-CG2 4.29Å; I212-I218 HydrophobicContact CD1-CG2 4.48Å; I212-I218 HydrophobicContact CG2-CB 3.96Å; I212-I218 HydrophobicContact CG2-CD1 3.41Å; I212-I218 VanDerWaalsContact CG2-CD1 3.41Å; I212-I218 HydrophobicContact CG2-CG1 4.2Å; I212-I218 HydrophobicContact CG2-CG2 4.27Å; I212-L219 HydrophobicContact CD1-CD1 4.05Å; I212-L219 HydrophobicContact CD1-CD2 3.71Å; I212-L219 HydrophobicContact CD1-CG 3.91Å; I212-F367 HydrophobicContact CD1-CD1 3.89Å; I212-F367 HydrophobicContact CD1-CD2 4.38Å; I212-F367 HydrophobicContact CD1-CE1 3.87Å; I212-F367 HydrophobicContact CD1-CE2 4.32Å; I212-F367 HydrophobicContact CD1-CG 4.17Å; I212-F367 HydrophobicContact CD1-CZ 4.07Å; I212-F367 HydrophobicContact CG1-CE1 4.46Å; I212-L373 HydrophobicContact CD1-CD1 3.8Å; I212-L373 HydrophobicContact CG1-CD1 4.22Å; I212-A374 PolarHBondContact N-O 3.48Å; I212-G375 CarbonylContact O-C 3.59Å; I212-G375 WeakPolarHBondContact O-CA 3.3Å; I212-M376 PolarHBondContact O-N 3.4Å
213	D	94	Very high	91.5	Very high	7 Å²	7	18 Å²	18	4%	0.037	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.2	165.3	-167.5	17.2	0	0	0	110.7	I133 V215 M376	I133-D213 PolarHBondContact O-N 3.22Å; D213-V215 VanDerWaalsContact C-N 3.3Å; D213-V215 PolarHBondContact O-N 2.9Å; D213-M376 HydrophobicContact CB-CE 3.65Å; D213-M376 WeakPolarHBondContact OD1-CE 3.28Å
214	E	90.6	Very high	90.3	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.061	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	52.9	-168.9	-55.4	-63.2	-175.9	0	0	112.3	K112 V135 D216 S217 I218 M376 T377	K112-E214 IonicContact NZ-OE1 3.58Å; K112-E214 PolarHBondContact NZ-OE1 3.28Å; K112-E214 IonicContact NZ-OE2 3.22Å; K112-E214 PolarHBondContact NZ-OE2 2.91Å; V135-E214 HydrophobicContact CG2-CB 3.96Å; V135-E214 HydrophobicContact CG2-CG 4.42Å; E214-D216 VanDerWaalsContact C-OD1 3.27Å; E214-D216 PolarHBondContact O-N 3.32Å; E214-S217 VanDerWaalsContact O-CB 3.3Å; E214-S217 WeakPolarHBondContact O-CB 3.37Å; E214-S217 PolarHBondContact O-N 3.02Å; E214-I218 PolarHBondContact O-N 3.4Å; E214-M376 WeakPolarHBondContact CA-O 3.32Å; E214-M376 PolarHBondContact N-O 2.81Å; E214-T377 PolarHBondContact OE2-OG1 3.18Å
215	V	93.6	Very high	89	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-51.8	-31	-174.4	65.2	0	0	0	0	114.6	I103 I212 D213 L219 M376 T377 F387	I103-V215 HydrophobicContact CD1-CG1 3.94Å; I103-V215 HydrophobicContact CD1-CG2 4.24Å; I103-V215 HydrophobicContact CG1-CG1 4.14Å; I103-V215 HydrophobicContact CG2-CG1 3.73Å; I212-V215 HydrophobicContact CB-CB 4.12Å; I212-V215 HydrophobicContact CB-CG2 4.08Å; I212-V215 HydrophobicContact CD1-CG2 4.46Å; I212-V215 HydrophobicContact CG2-CB 4.1Å; I212-V215 HydrophobicContact CG2-CG2 4.29Å; D213-V215 VanDerWaalsContact C-N 3.3Å; D213-V215 PolarHBondContact O-N 2.9Å; V215-L219 HydrophobicContact CG2-CB 4.46Å; V215-L219 HydrophobicContact CG2-CD1 3.43Å; V215-L219 VanDerWaalsContact CG2-CD1 3.43Å; V215-L219 HydrophobicContact CG2-CG 3.81Å; V215-L219 VanDerWaalsContact O-CB 3.25Å; V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 PolarHBondContact O-N 2.87Å; V215-M376 PolarHBondContact N-O 3.2Å; V215-M376 VanDerWaalsContact N-O 3.12Å; V215-T377 HydrophobicContact CG1-CG2 3.75Å; V215-F387 HydrophobicContact CG1-CZ 4.39Å; V215-F387 HydrophobicContact CG2-CE1 4.17Å
216	D	89.9	Confident	88.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-36.2	175.1	56.3	-24.6	0	0	0	113.2	E214 I220 D221 T377 T379 F387 R523	E214-D216 VanDerWaalsContact C-OD1 3.27Å; E214-D216 PolarHBondContact O-N 3.32Å; D216-I220 WeakPolarHBondContact O-CB 3.41Å; D216-I220 PolarHBondContact O-N 3.03Å; D216-I220 VanDerWaalsContact O-N 3.16Å; D216-D221 PolarHBondContact O-N 3.34Å; D216-T377 HydrophobicContact CB-CG2 4.49Å; D216-T377 WeakPolarHBondContact OD1-CB 3.31Å; D216-T377 PolarHBondContact OD1-OG1 3.41Å; D216-T377 PolarHBondContact OD2-OG1 2.92Å; D216-T379 PolarHBondContact OD2-OG1 3.17Å; D216-T379 VanDerWaalsContact OD2-OG1 3.1Å; D216-F387 HydrophobicContact CB-CZ 4.12Å; D216-R523 IonicContact OD1-NH1 3.94Å; D216-R523 WeakPolarHBondContact OD2-CD 3.43Å; D216-R523 IonicContact OD2-CZ 2.77Å; D216-R523 IonicContact OD2-NE 3.89Å; D216-R523 IonicContact OD2-NH1 2.98Å; D216-R523 PolarHBondContact OD2-NH1 2.71Å
217	S	85	Confident	88.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-65.7	-45.1	175.2	-52.4	0	0	0	0	110.7	E214 D221 E222 R495	E214-S217 VanDerWaalsContact O-CB 3.3Å; E214-S217 WeakPolarHBondContact O-CB 3.37Å; E214-S217 PolarHBondContact O-N 3.02Å; S217-D221 WeakPolarHBondContact O-CA 3.14Å; S217-D221 VanDerWaalsContact O-CB 3.27Å; S217-D221 WeakPolarHBondContact O-CB 3.36Å; S217-D221 PolarHBondContact O-N 3.49Å; S217-E222 PolarHBondContact O-N 3.29Å; S217-R495 PolarHBondContact OG-NH1 3.48Å
218	I	89	Confident	87.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-77.7	-48.5	-175.1	-68.4	167.5	0	0	0	111.4	I133 V135 N183 I212 E214 A223 F367	I133-I218 HydrophobicContact CG2-CD1 4.23Å; V135-I218 HydrophobicContact CG2-CD1 4.3Å; N183-I218 HydrophobicContact CB-CD1 4.15Å; N183-I218 HydrophobicContact CB-CG1 4.32Å; N183-I218 HydrophobicContact CB-CG2 3.66Å; I212-I218 HydrophobicContact CD1-CG2 4.48Å; I212-I218 HydrophobicContact CG2-CB 3.96Å; I212-I218 HydrophobicContact CG2-CD1 3.41Å; I212-I218 VanDerWaalsContact CG2-CD1 3.41Å; I212-I218 HydrophobicContact CG2-CG1 4.2Å; I212-I218 HydrophobicContact CG2-CG2 4.27Å; E214-I218 PolarHBondContact O-N 3.4Å; I218-A223 PolarHBondContact O-N 3.04Å; I218-F367 HydrophobicContact CG2-CD2 4.45Å; I218-F367 HydrophobicContact CG2-CE2 3.63Å; I218-F367 HydrophobicContact CG2-CZ 4.14Å
219	L	91.3	Very high	86.9	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-87	-11.6	-171.9	-61.8	-169.5	0	0	0	114.6	I212 V215 A223 F367 L373 F387 Y391 M393	I212-L219 HydrophobicContact CD1-CD1 4.05Å; I212-L219 HydrophobicContact CD1-CD2 3.71Å; I212-L219 HydrophobicContact CD1-CG 3.91Å; V215-L219 HydrophobicContact CG2-CB 4.46Å; V215-L219 HydrophobicContact CG2-CD1 3.43Å; V215-L219 VanDerWaalsContact CG2-CD1 3.43Å; V215-L219 HydrophobicContact CG2-CG 3.81Å; V215-L219 VanDerWaalsContact O-CB 3.25Å; V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 PolarHBondContact O-N 2.87Å; L219-A223 VanDerWaalsContact O-CB 3.31Å; L219-A223 WeakPolarHBondContact O-CB 3.37Å; L219-F367 HydrophobicContact CD2-CB 3.94Å; L219-F367 HydrophobicContact CD2-CD2 3.32Å; L219-F367 HydrophobicContact CD2-CE2 3.99Å; L219-F367 HydrophobicContact CD2-CG 3.74Å; L219-L373 HydrophobicContact CD1-CD2 4.03Å; L219-F387 HydrophobicContact CB-CE1 3.99Å; L219-F387 HydrophobicContact CD1-CE1 4.24Å; L219-Y391 HydrophobicContact CB-CE2 3.76Å; L219-Y391 HydrophobicContact CD1-CD1 4.27Å; L219-Y391 HydrophobicContact CD1-CD2 4.15Å; L219-Y391 HydrophobicContact CD1-CE1 4.19Å; L219-Y391 HydrophobicContact CD1-CE2 4.06Å; L219-Y391 HydrophobicContact CD1-CG 4.24Å; L219-Y391 HydrophobicContact CD2-CE1 3.94Å; L219-Y391 HydrophobicContact CG-CE1 4.48Å; L219-Y391 HydrophobicContact CG-CE2 4.36Å; L219-Y391 PolarHBondContact O-OH 3.5Å; L219-M393 HydrophobicContact CD1-SD 4.28Å
220	I	87.7	Confident	86	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.086	C	C	.	.	I	π-helix	trans	-120.6	-50.7	-179.9	-47.1	-67.7	0	0	0	112	D216 E383 E386 F387	D216-I220 WeakPolarHBondContact O-CB 3.41Å; D216-I220 PolarHBondContact O-N 3.03Å; D216-I220 VanDerWaalsContact O-N 3.16Å; I220-E383 HydrophobicContact CD1-CB 4.39Å; I220-E383 HydrophobicContact CG1-CB 4.48Å; I220-E383 HydrophobicContact CG2-CG 4.48Å; I220-E386 HydrophobicContact CD1-CB 4.19Å; I220-E386 VanDerWaalsContact CD1-CD 3.47Å; I220-E386 HydrophobicContact CD1-CG 3.68Å; I220-F387 HydrophobicContact CD1-CD1 4.29Å; I220-F387 HydrophobicContact CD1-CE1 3.93Å; I220-F387 HydrophobicContact CD1-CE2 4.4Å; I220-F387 HydrophobicContact CD1-CZ 4Å; I220-F387 HydrophobicContact CG1-CE1 3.98Å; I220-F387 HydrophobicContact CG1-CE2 4.31Å; I220-F387 HydrophobicContact CG1-CZ 3.71Å
221	D	82.2	Confident	84.5	Confident	40 Å²	40	18.2 Å²	18.2	21%	0.214	9%	0.094	C	C	.	.	I	π-helix	trans	-74.4	-52.1	-178.1	-64	-30	0	0	0	111.5	D216 S217 A223 R495 R523	D216-D221 PolarHBondContact O-N 3.34Å; S217-D221 WeakPolarHBondContact O-CA 3.14Å; S217-D221 VanDerWaalsContact O-CB 3.27Å; S217-D221 WeakPolarHBondContact O-CB 3.36Å; S217-D221 PolarHBondContact O-N 3.49Å; D221-A223 VanDerWaalsContact C-N 3.33Å; D221-R495 IonicContact OD2-NH1 2.7Å; D221-R523 IonicContact OD1-CZ 2.89Å; D221-R523 IonicContact OD1-NH2 3.29Å; D221-R523 PolarHBondContact OD1-NH2 3.3Å; D221-R523 IonicContact OD2-CZ 3.11Å; D221-R523 IonicContact OD2-NH1 3.91Å; D221-R523 IonicContact OD2-NH2 2.67Å; D221-R523 PolarHBondContact OD2-NH2 3.31Å
222	E	79.6	Confident	82.6	Confident	40 Å²	40	25.3 Å²	25.3	19%	0.187	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-79.7	-15.9	-176	-66.3	-176.3	-154.5	0	0	113.4	N183 S217 R224 T225 F363	N183-E222 PolarHBondContact ND2-OE2 3Å; S217-E222 PolarHBondContact O-N 3.29Å; E222-R224 PolarHBondContact O-N 3.46Å; E222-T225 PolarHBondContact O-N 2.91Å; E222-F363 HydrophobicContact CB-CD2 3.99Å; E222-F363 HydrophobicContact CB-CE2 3.96Å; E222-F363 WeakPolarHBondContact O-CD2 3.28Å
223	A	74.7	Confident	80.5	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.033	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.3	-10.4	178.2	0	0	0	0	0	115.5	I218 L219 D221 Q364	I218-A223 PolarHBondContact O-N 3.04Å; L219-A223 VanDerWaalsContact O-CB 3.31Å; L219-A223 WeakPolarHBondContact O-CB 3.37Å; D221-A223 VanDerWaalsContact C-N 3.33Å; A223-Q364 HydrophobicContact CB-CG 3.84Å
224	R	68.5	Low	78.3	Confident	138 Å²	138	34.5 Å²	34.5	52%	0.521	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-79.5	-35.5	-176	-57.3	-178.4	-160.8	-170.8	4.9	113.7	E222	E222-R224 PolarHBondContact O-N 3.46Å
225	T	69.1	Low	76.6	Confident	35 Å²	35	36.2 Å²	36.2	22%	0.215	18%	0.181	C	C	.	.	S	Bend	trans	-100.5	127	-177.4	-52.4	0	0	0	0	109.3	E222 V803	E222-T225 PolarHBondContact O-N 2.91Å; T225-V803 WeakPolarHBondContact CB-O 3.4Å; T225-V803 HydrophobicContact CG2-CB 3.81Å; T225-V803 WeakPolarHBondContact CG2-O 3.49Å; T225-V803 PolarHBondContact OG1-O 3.15Å; T225-V803 VanDerWaalsContact OG1-O 3.1Å
226	P	83.2	Confident	75.1	Confident	22 Å²	22	38.6 Å²	38.6	14%	0.143	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-65.1	148.6	167.8	27.3	-34	0	0	0	112.1	I228 I361 T362	P226-I228 HydrophobicContact CB-CG1 4.36Å; P226-I228 HydrophobicContact CG-CD1 4.09Å; P226-I228 HydrophobicContact CG-CG1 4.27Å; P226-I361 WeakPolarHBondContact CA-O 3.37Å; P226-T362 HydrophobicContact CB-CG2 4.04Å
227	L	87.8	Confident	74.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.7	160.5	-68.9	167.7	0	0	0	108.7	G187 F188 L191 S360 I361 F363 H802	G187-L227 VanDerWaalsContact CA-CD1 3.48Å; F188-L227 HydrophobicContact CD2-CD2 4.01Å; F188-L227 HydrophobicContact CE1-CB 4.14Å; F188-L227 HydrophobicContact CE1-CD2 4.01Å; F188-L227 HydrophobicContact CE2-CD2 3.46Å; F188-L227 VanDerWaalsContact CE2-CD2 3.46Å; F188-L227 HydrophobicContact CG-CD2 4.49Å; F188-L227 HydrophobicContact CZ-CB 4.33Å; F188-L227 HydrophobicContact CZ-CD2 3.44Å; F188-L227 VanDerWaalsContact CZ-CD2 3.44Å; L191-L227 HydrophobicContact CD1-CB 4.2Å; L227-S360 CarbonylContact O-C 3.55Å; L227-S360 WeakPolarHBondContact O-CA 3.43Å; L227-I361 HydrophobicContact CB-CG2 4.25Å; L227-I361 HydrophobicContact CD1-CG2 4.25Å; L227-I361 PolarHBondContact N-O 3.44Å; L227-I361 PolarHBondContact O-N 2.99Å; L227-F363 HydrophobicContact CD1-CD1 4.12Å; L227-F363 HydrophobicContact CD1-CE1 3.53Å; L227-F363 HydrophobicContact CD1-CZ 4.04Å; L227-F363 HydrophobicContact CD2-CE1 4.23Å; L227-F363 HydrophobicContact CD2-CZ 3.92Å; L227-F363 HydrophobicContact CG-CE1 3.95Å; L227-F363 HydrophobicContact CG-CZ 3.95Å; L227-H802 HydrophobicContact CD2-CB 4.4Å
228	I	85.6	Confident	74.5	Confident	35 Å²	35	44 Å²	44	18%	0.179	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.4	-177.1	-64.7	168.3	0	0	0	109.8	F188 P226 T357 A359 K801	F188-I228 WeakPolarHBondContact CE1-O 3.37Å; P226-I228 HydrophobicContact CB-CG1 4.36Å; P226-I228 HydrophobicContact CG-CD1 4.09Å; P226-I228 HydrophobicContact CG-CG1 4.27Å; I228-T357 HydrophobicContact CG1-CG2 4.45Å; I228-T357 HydrophobicContact CG2-CG2 3.6Å; I228-A359 WeakPolarHBondContact CA-O 3.26Å; I228-K801 PolarHBondContact O-N 3.08Å
229	I	81.2	Confident	74.5	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.2	160.7	-61.4	-178.7	0	0	0	106.6	F188 L191 R192 M195 M358 A359	F188-I229 HydrophobicContact CD1-CG1 4.03Å; F188-I229 HydrophobicContact CE1-CG1 4.37Å; L191-I229 HydrophobicContact CB-CD1 3.52Å; L191-I229 HydrophobicContact CB-CG1 4.21Å; L191-I229 HydrophobicContact CD1-CD1 4.27Å; L191-I229 HydrophobicContact CD1-CG1 4.02Å; R192-I229 HydrophobicContact CG-CD1 3.88Å; M195-I229 HydrophobicContact CE-CG2 4.4Å; M195-I229 HydrophobicContact SD-CD1 3.84Å; M195-I229 HydrophobicContact SD-CG2 4.28Å; I229-M358 HydrophobicContact CG2-CB 4.25Å; I229-M358 PolarHBondContact O-N 3.34Å; I229-A359 HydrophobicContact CB-CB 4.41Å; I229-A359 PolarHBondContact N-O 3.35Å; I229-A359 PolarHBondContact O-N 2.97Å
230	S	78.9	Confident	74.5	Confident	27 Å²	27	46.1 Å²	46.1	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.9	172.7	-60.6	0	0	0	0	109.2	K356 G798 E799	S230-K356 WeakPolarHBondContact CA-O 3.22Å; S230-G798 CarbonylContact O-C 3.58Å; S230-G798 WeakPolarHBondContact O-CA 3.47Å; S230-E799 PolarHBondContact O-N 3.15Å
231	G	67.3	Low	74.7	Confident	15 Å²	15	49.3 Å²	49.3	16%	0.155	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	147.4	167.7	0	0	0	0	0	109.5	A233 K356	G231-A233 PolarHBondContact O-N 3.43Å; G231-K356 PolarHBondContact N-O 3.42Å
232	E	58.3	Low	75.2	Confident	150 Å²	150	51.3 Å²	51.3	70%	0.701	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	125.7	156.5	-68.4	-164.8	166.5	0	0	106.6	E234	E232-E234 PolarHBondContact O-N 3.43Å
233	A	53.5	Low	75.9	Confident	26 Å²	26	49.4 Å²	49.4	22%	0.215	26%	0.262	C	S	.	.			trans	-68.7	88.6	159.2	0	0	0	0	0	107	G231 K235 E354	G231-A233 PolarHBondContact O-N 3.43Å; A233-K235 HydrophobicContact CB-CB 4.44Å; A233-K235 PolarHBondContact O-N 3.47Å; A233-E354 HydrophobicContact CB-CB 3.9Å; A233-E354 WeakPolarHBondContact CB-O 3.5Å
234	E	47.2	Very low	76.9	Confident	174 Å²	174	49.7 Å²	49.7	81%	0.813	26%	0.264	S	S	*	.			trans	-66.9	14.8	158.8	-78.3	-156.8	147.9	0	0	111.7	E232 S236	E232-E234 PolarHBondContact O-N 3.43Å; E234-S236 VanDerWaalsContact C-N 3.26Å; E234-S236 PolarHBondContact O-N 2.93Å
235	K	55.7	Low	78.1	Confident	49 Å²	49	46.1 Å²	46.1	21%	0.213	26%	0.257	C	S	.	.			trans	-62.5	97.8	162.2	-68.4	-174.7	-178.1	166.8	0	107.3	A233 T237 Y240 E354	A233-K235 HydrophobicContact CB-CB 4.44Å; A233-K235 PolarHBondContact O-N 3.47Å; K235-T237 PolarHBondContact O-N 3.2Å; K235-Y240 HydrophobicContact CB-CE2 4.07Å; K235-Y240 HydrophobicContact CD-CE2 3.8Å; K235-Y240 WeakPolarHBondContact CD-OH 3.38Å; K235-Y240 PolarHBondContact NZ-OH 3.28Å; K235-E354 IonicContact NZ-OE2 3.72Å; K235-E354 PolarHBondContact NZ-OE2 3.33Å; K235-E354 VanDerWaalsContact NZ-OE2 3.11Å
236	S	61.8	Low	79.4	Confident	50 Å²	50	44.7 Å²	44.7	35%	0.35	25%	0.248	S	C	.	.			trans	-52.7	122.6	169.9	75.7	0	0	0	0	106.3	E234 S238 L239	E234-S236 VanDerWaalsContact C-N 3.26Å; E234-S236 PolarHBondContact O-N 2.93Å; S236-S238 PolarHBondContact O-N 3.36Å; S236-S238 PolarHBondContact OG-OG 3.14Å; S236-L239 PolarHBondContact O-N 2.77Å; S236-L239 PolarHBondContact OG-N 2.67Å
237	T	77.4	Confident	79.9	Confident	62 Å²	62	44 Å²	44	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-49.9	-19.7	169.5	49.3	0	0	0	0	111.5	K235 T241 I351	K235-T237 PolarHBondContact O-N 3.2Å; T237-T241 PolarHBondContact O-N 2.96Å; T237-T241 PolarHBondContact O-OG1 2.88Å; T237-I351 HydrophobicContact CG2-CB 4.09Å; T237-I351 HydrophobicContact CG2-CG2 4Å
238	S	85.6	Confident	80.2	Confident	53 Å²	53	49.9 Å²	49.9	37%	0.371	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-40.4	169.4	98.9	0	0	0	0	114.7	S236 T241 Q242	S236-S238 PolarHBondContact O-N 3.36Å; S236-S238 PolarHBondContact OG-OG 3.14Å; S238-T241 WeakPolarHBondContact O-CB 3.33Å; S238-T241 PolarHBondContact O-N 3.35Å; S238-Q242 VanDerWaalsContact O-CG 3.29Å; S238-Q242 WeakPolarHBondContact O-CG 3.21Å; S238-Q242 PolarHBondContact O-N 3.44Å; S238-Q242 PolarHBondContact OG-NE2 3.18Å
239	L	88.5	Confident	80.6	Confident	34 Å²	34	54 Å²	54	18%	0.178	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-44.7	-180	-82	173.1	0	0	0	111.5	S236 T241 Q242 A243	S236-L239 PolarHBondContact O-N 2.77Å; S236-L239 PolarHBondContact OG-N 2.67Å; L239-T241 PolarHBondContact O-N 3.22Å; L239-Q242 PolarHBondContact O-N 3.11Å; L239-A243 VanDerWaalsContact O-CB 3.3Å; L239-A243 WeakPolarHBondContact O-CB 3.43Å; L239-A243 PolarHBondContact O-N 3.23Å
240	Y	91	Very high	81.3	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-40.4	171	-78.4	-70.7	0	0	0	112.2	K235 N244 H295 G338 Q341 A342 I351	K235-Y240 HydrophobicContact CB-CE2 4.07Å; K235-Y240 HydrophobicContact CD-CE2 3.8Å; K235-Y240 WeakPolarHBondContact CD-OH 3.38Å; K235-Y240 PolarHBondContact NZ-OH 3.28Å; Y240-N244 WeakPolarHBondContact O-CB 3.29Å; Y240-N244 PolarHBondContact O-N 2.98Å; Y240-H295 AromaticContact CD1-CD2 3.66Å; Y240-H295 AromaticContact CD2-CD2 3.8Å; Y240-H295 AromaticContact CD2-NE2 3.72Å; Y240-H295 AromaticContact CE1-CD2 3.65Å; Y240-H295 AromaticContact CE2-CD2 3.81Å; Y240-H295 AromaticContact CE2-NE2 3.45Å; Y240-H295 WeakPolarHBondContact CE2-NE2 3.22Å; Y240-H295 AromaticContact CG-CD2 3.72Å; Y240-H295 AromaticContact CZ-CD2 3.72Å; Y240-H295 AromaticContact CZ-NE2 3.62Å; Y240-G338 VanDerWaalsContact CE1-O 3.3Å; Y240-G338 WeakPolarHBondContact CE1-O 3.32Å; Y240-G338 WeakPolarHBondContact OH-CA 3.38Å; Y240-Q341 HydrophobicContact CD1-CB 3.92Å; Y240-Q341 HydrophobicContact CD2-CB 4.07Å; Y240-Q341 HydrophobicContact CE1-CB 3.65Å; Y240-Q341 HydrophobicContact CE2-CB 3.79Å; Y240-Q341 HydrophobicContact CE2-CG 4.25Å; Y240-Q341 HydrophobicContact CG-CB 4.13Å; Y240-A342 HydrophobicContact CD1-CB 4.23Å; Y240-A342 HydrophobicContact CE1-CB 4.35Å; Y240-I351 HydrophobicContact CD2-CG2 4.39Å
241	T	91.9	Very high	82	Confident	68 Å²	68	58.2 Å²	58.2	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-44.2	178	-54.3	0	0	0	0	111.3	T237 S238 L239 V245	T237-T241 PolarHBondContact O-N 2.96Å; T237-T241 PolarHBondContact O-OG1 2.88Å; S238-T241 WeakPolarHBondContact O-CB 3.33Å; S238-T241 PolarHBondContact O-N 3.35Å; L239-T241 PolarHBondContact O-N 3.22Å; T241-V245 WeakPolarHBondContact O-CG2 3.34Å; T241-V245 PolarHBondContact O-N 3.47Å; T241-V245 VanDerWaalsContact O-N 3.11Å
242	Q	92.4	Very high	83.2	Confident	82 Å²	82	61.8 Å²	61.8	38%	0.383	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-46.8	177.9	-72.1	176.3	60.2	0	0	111.9	S238 L239 N244 V245 F246 F279	S238-Q242 VanDerWaalsContact O-CG 3.29Å; S238-Q242 WeakPolarHBondContact O-CG 3.21Å; S238-Q242 PolarHBondContact O-N 3.44Å; S238-Q242 PolarHBondContact OG-NE2 3.18Å; L239-Q242 PolarHBondContact O-N 3.11Å; Q242-N244 VanDerWaalsContact C-N 3.34Å; Q242-N244 PolarHBondContact O-N 3.28Å; Q242-V245 WeakPolarHBondContact O-CB 3.45Å; Q242-V245 PolarHBondContact O-N 3.01Å; Q242-V245 VanDerWaalsContact O-N 3.15Å; Q242-F246 PolarHBondContact O-N 2.84Å; Q242-F279 HydrophobicContact CB-CE1 3.96Å; Q242-F279 HydrophobicContact CB-CZ 4.34Å
243	A	93.7	Very high	84.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.1	0	0	0	0	0	112.2	L239 V245 F246 A247 H295 A299	L239-A243 VanDerWaalsContact O-CB 3.3Å; L239-A243 WeakPolarHBondContact O-CB 3.43Å; L239-A243 PolarHBondContact O-N 3.23Å; A243-V245 VanDerWaalsContact C-N 3.35Å; A243-V245 PolarHBondContact O-N 2.86Å; A243-F246 PolarHBondContact O-N 3.41Å; A243-A247 WeakPolarHBondContact O-CB 3Å; A243-A247 PolarHBondContact O-N 2.74Å; A243-H295 HydrophobicContact CB-CB 3.79Å; A243-H295 WeakPolarHBondContact CB-O 3.36Å; A243-A299 HydrophobicContact CB-CB 3.93Å
244	N	95.8	Very high	86.4	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-40.6	172.3	173.2	46.1	0	0	0	112.4	Y240 Q242 F246 K248 H303 A345 K346	Y240-N244 WeakPolarHBondContact O-CB 3.29Å; Y240-N244 PolarHBondContact O-N 2.98Å; Q242-N244 VanDerWaalsContact C-N 3.34Å; Q242-N244 PolarHBondContact O-N 3.28Å; N244-F246 VanDerWaalsContact C-N 3.35Å; N244-K248 PolarHBondContact ND2-NZ 2.82Å; N244-K248 WeakPolarHBondContact O-CG 3.39Å; N244-K248 PolarHBondContact O-N 3.02Å; N244-K248 WeakPolarHBondContact OD1-CE 3.42Å; N244-H303 PolarHBondContact OD1-NE2 2.82Å; N244-A345 HydrophobicContact CB-CB 3.98Å; N244-A345 PolarHBondContact ND2-O 3.18Å; N244-K346 WeakPolarHBondContact OD1-CA 3.25Å
245	V	95.2	Very high	88.6	Confident	62 Å²	62	55.2 Å²	55.2	38%	0.376	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-42.8	175.1	170.8	0	0	0	0	110.4	T241 Q242 A243 K248 M249 M278	T241-V245 WeakPolarHBondContact O-CG2 3.34Å; T241-V245 PolarHBondContact O-N 3.47Å; T241-V245 VanDerWaalsContact O-N 3.11Å; Q242-V245 WeakPolarHBondContact O-CB 3.45Å; Q242-V245 PolarHBondContact O-N 3.01Å; Q242-V245 VanDerWaalsContact O-N 3.15Å; A243-V245 VanDerWaalsContact C-N 3.35Å; A243-V245 PolarHBondContact O-N 2.86Å; V245-K248 PolarHBondContact O-N 3.47Å; V245-M249 HydrophobicContact CG1-CE 3.57Å; V245-M249 WeakPolarHBondContact O-CG 3.33Å; V245-M278 HydrophobicContact CB-CE 4.38Å; V245-M278 HydrophobicContact CG1-CE 4.13Å
246	F	95.4	Very high	90.4	Very high	5 Å²	5	54 Å²	54	2%	0.022	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-49.5	177.3	-178	-117.2	0	0	0	112.2	Q242 A243 N244 K248 M249 L250 K274 A275 M278 F279 I296	Q242-F246 PolarHBondContact O-N 2.84Å; A243-F246 PolarHBondContact O-N 3.41Å; N244-F246 VanDerWaalsContact C-N 3.35Å; F246-K248 PolarHBondContact O-N 2.81Å; F246-K248 VanDerWaalsContact O-N 3.16Å; F246-M249 WeakPolarHBondContact O-CA 3.44Å; F246-M249 WeakPolarHBondContact O-CB 3.24Å; F246-M249 PolarHBondContact O-N 2.71Å; F246-L250 HydrophobicContact CD1-CD1 3.97Å; F246-L250 HydrophobicContact CD1-CG 4.41Å; F246-L250 HydrophobicContact CD2-CD2 4.43Å; F246-L250 HydrophobicContact CE1-CD1 3.53Å; F246-L250 HydrophobicContact CE1-CD2 4.06Å; F246-L250 HydrophobicContact CE1-CG 4.11Å; F246-L250 HydrophobicContact CE2-CD2 3.77Å; F246-L250 HydrophobicContact CE2-CG 4.4Å; F246-L250 HydrophobicContact CZ-CD1 3.92Å; F246-L250 HydrophobicContact CZ-CD2 3.54Å; F246-L250 HydrophobicContact CZ-CG 4.09Å; F246-L250 PolarHBondContact O-N 2.83Å; F246-K274 HydrophobicContact CE2-CB 4.05Å; F246-K274 HydrophobicContact CZ-CB 4.23Å; F246-A275 HydrophobicContact CE1-CB 3.78Å; F246-A275 HydrophobicContact CE2-CB 4.3Å; F246-A275 HydrophobicContact CZ-CB 3.46Å; F246-A275 VanDerWaalsContact CZ-CB 3.46Å; F246-A275 VanDerWaalsContact CZ-N 3.34Å; F246-M278 HydrophobicContact CB-CE 3.81Å; F246-M278 HydrophobicContact CB-SD 3.74Å; F246-M278 HydrophobicContact CD2-CB 4.23Å; F246-M278 HydrophobicContact CD2-CG 4.32Å; F246-M278 HydrophobicContact CD2-SD 3.41Å; F246-M278 WeakPolarHBondContact CD2-SD 3.42Å; F246-M278 HydrophobicContact CE2-CB 4.38Å; F246-M278 HydrophobicContact CE2-SD 4.39Å; F246-M278 HydrophobicContact CG-SD 3.99Å; F246-F279 HydrophobicContact CB-CE2 3.98Å; F246-F279 HydrophobicContact CB-CZ 4.24Å; F246-F279 HydrophobicContact CD1-CE2 4.01Å; F246-F279 HydrophobicContact CD2-CE2 4.34Å; F246-F279 AromaticContact CG-CE2 3.85Å; F246-F279 HydrophobicContact CG-CE2 3.85Å; F246-I296 HydrophobicContact CD1-CB 4.39Å; F246-I296 HydrophobicContact CD1-CD1 3.99Å; F246-I296 HydrophobicContact CD1-CG1 3.79Å; F246-I296 HydrophobicContact CD1-CG2 3.8Å; F246-I296 HydrophobicContact CE1-CD1 3.87Å; F246-I296 HydrophobicContact CE1-CG1 4.09Å; F246-I296 HydrophobicContact CE1-CG2 3.66Å
247	A	94.7	Very high	91.7	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-34	179.1	0	0	0	0	0	112.6	A243 M249 L250 A299 L300	A243-A247 WeakPolarHBondContact O-CB 3Å; A243-A247 PolarHBondContact O-N 2.74Å; A247-M249 VanDerWaalsContact C-N 3.27Å; A247-M249 PolarHBondContact O-N 3.36Å; A247-L250 PolarHBondContact O-N 2.79Å; A247-A299 HydrophobicContact CB-CB 3.93Å; A247-L300 HydrophobicContact CB-CD2 4.18Å; A247-L300 HydrophobicContact CB-CG 4.32Å
248	K	94.2	Very high	92.2	Very high	124 Å²	124	54.1 Å²	54.1	54%	0.539	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.7	174.5	-73	172.5	179.9	170.9	0	114.2	N244 V245 F246	N244-K248 PolarHBondContact ND2-NZ 2.82Å; N244-K248 WeakPolarHBondContact O-CG 3.39Å; N244-K248 PolarHBondContact O-N 3.02Å; N244-K248 WeakPolarHBondContact OD1-CE 3.42Å; V245-K248 PolarHBondContact O-N 3.47Å; F246-K248 PolarHBondContact O-N 2.81Å; F246-K248 VanDerWaalsContact O-N 3.16Å
249	M	93.3	Very high	91.9	Very high	120 Å²	120	53.4 Å²	53.4	59%	0.591	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-20.5	179.8	-65	178.3	-177.9	0	0	113	V245 F246 A247 M278	V245-M249 HydrophobicContact CG1-CE 3.57Å; V245-M249 WeakPolarHBondContact O-CG 3.33Å; F246-M249 WeakPolarHBondContact O-CA 3.44Å; F246-M249 WeakPolarHBondContact O-CB 3.24Å; F246-M249 PolarHBondContact O-N 2.71Å; A247-M249 VanDerWaalsContact C-N 3.27Å; A247-M249 PolarHBondContact O-N 3.36Å; M249-M278 HydrophobicContact SD-SD 4.3Å
250	L	94.7	Very high	91.4	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	29%	0.287	C	S	.	.			trans	-78.4	146.9	-177.7	-59.8	179.8	0	0	0	111.4	F246 A247 D255 Y256 L267 K274 L300	F246-L250 HydrophobicContact CD1-CD1 3.97Å; F246-L250 HydrophobicContact CD1-CG 4.41Å; F246-L250 HydrophobicContact CD2-CD2 4.43Å; F246-L250 HydrophobicContact CE1-CD1 3.53Å; F246-L250 HydrophobicContact CE1-CD2 4.06Å; F246-L250 HydrophobicContact CE1-CG 4.11Å; F246-L250 HydrophobicContact CE2-CD2 3.77Å; F246-L250 HydrophobicContact CE2-CG 4.4Å; F246-L250 HydrophobicContact CZ-CD1 3.92Å; F246-L250 HydrophobicContact CZ-CD2 3.54Å; F246-L250 HydrophobicContact CZ-CG 4.09Å; F246-L250 PolarHBondContact O-N 2.83Å; A247-L250 PolarHBondContact O-N 2.79Å; L250-D255 WeakPolarHBondContact CA-OD2 3.43Å; L250-D255 HydrophobicContact CB-CB 3.87Å; L250-D255 HydrophobicContact CD2-CB 3.71Å; L250-D255 HydrophobicContact CG-CB 4.27Å; L250-Y256 HydrophobicContact CB-CD1 3.86Å; L250-Y256 HydrophobicContact CB-CE1 4.1Å; L250-L267 HydrophobicContact CD1-CD2 3.94Å; L250-K274 HydrophobicContact CD2-CB 4.46Å; L250-K274 HydrophobicContact CD2-CD 4.19Å; L250-L300 HydrophobicContact CB-CD2 4.45Å; L250-L300 HydrophobicContact CD1-CD1 3.83Å; L250-L300 HydrophobicContact CD1-CD2 3.84Å; L250-L300 HydrophobicContact CD1-CG 4.12Å
251	K	94	Very high	90.5	Very high	105 Å²	105	66.9 Å²	66.9	46%	0.457	32%	0.32	S	S	.	.			trans	-111.7	137.6	175.8	-63.1	169.2	175.6	-179.4	0	110.9	E254 D255 Y256	K251-E254 HydrophobicContact CB-CB 4.22Å; K251-E254 VanDerWaalsContact CD-CD 3.48Å; K251-E254 HydrophobicContact CD-CG 4.45Å; K251-E254 WeakPolarHBondContact CD-OE2 3.32Å; K251-E254 VanDerWaalsContact NZ-CD 3.29Å; K251-E254 IonicContact NZ-OE1 3.7Å; K251-E254 PolarHBondContact NZ-OE1 3.13Å; K251-E254 IonicContact NZ-OE2 2.6Å; K251-E254 PolarHBondContact NZ-OE2 3.06Å; K251-E254 PolarHBondContact O-N 2.85Å; K251-D255 PolarHBondContact N-OD2 2.82Å; K251-D255 WeakPolarHBondContact O-CB 3.4Å; K251-D255 PolarHBondContact O-N 3.08Å; K251-Y256 VanDerWaalsContact C-CE1 3.45Å; K251-Y256 PolarHBondContact O-N 2.88Å
252	Q	92.5	Very high	89.5	Confident	90 Å²	90	65.9 Å²	65.9	42%	0.421	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-57.9	143.4	170.1	-167.8	171.9	-16.4	0	0	110.8	E254 Y256	Q252-E254 PolarHBondContact O-N 2.95Å; Q252-Y256 CarbonylContact C-O 3.59Å; Q252-Y256 HydrophobicContact CB-CE1 4.33Å; Q252-Y256 HydrophobicContact CB-CE2 3.96Å; Q252-Y256 HydrophobicContact CG-CE2 3.95Å; Q252-Y256 VanDerWaalsContact N-CE1 3.35Å
253	D	89.3	Confident	88.8	Confident	119 Å²	119	67.2 Å²	67.2	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-17.6	-179.6	-49.8	-41.7	0	0	0	116.1	Y256	D253-Y256 PolarHBondContact N-O 2.91Å
254	E	90.5	Very high	87.9	Confident	92 Å²	92	68.6 Å²	68.6	43%	0.43	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-54.5	169.5	-69	179.8	-150.4	0	0	111.1	K251 Q252 T268	K251-E254 HydrophobicContact CB-CB 4.22Å; K251-E254 VanDerWaalsContact CD-CD 3.48Å; K251-E254 HydrophobicContact CD-CG 4.45Å; K251-E254 WeakPolarHBondContact CD-OE2 3.32Å; K251-E254 VanDerWaalsContact NZ-CD 3.29Å; K251-E254 IonicContact NZ-OE1 3.7Å; K251-E254 PolarHBondContact NZ-OE1 3.13Å; K251-E254 IonicContact NZ-OE2 2.6Å; K251-E254 PolarHBondContact NZ-OE2 3.06Å; K251-E254 PolarHBondContact O-N 2.85Å; Q252-E254 PolarHBondContact O-N 2.95Å; E254-T268 PolarHBondContact O-OG1 3.43Å
255	D	93.1	Very high	87.5	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-24.4	-169.8	-62.8	-42.7	0	0	0	113.6	L250 K251 T268 G271 K274	L250-D255 WeakPolarHBondContact CA-OD2 3.43Å; L250-D255 HydrophobicContact CB-CB 3.87Å; L250-D255 HydrophobicContact CD2-CB 3.71Å; L250-D255 HydrophobicContact CG-CB 4.27Å; K251-D255 PolarHBondContact N-OD2 2.82Å; K251-D255 WeakPolarHBondContact O-CB 3.4Å; K251-D255 PolarHBondContact O-N 3.08Å; D255-T268 VanDerWaalsContact CA-OG1 3.3Å; D255-T268 WeakPolarHBondContact CA-OG1 3.25Å; D255-T268 PolarHBondContact O-N 3.36Å; D255-T268 PolarHBondContact O-OG1 3.3Å; D255-G271 VanDerWaalsContact O-CA 3.26Å; D255-G271 WeakPolarHBondContact O-CA 3.41Å; D255-K274 VanDerWaalsContact OD1-CD 3.27Å; D255-K274 WeakPolarHBondContact OD1-CD 3.47Å; D255-K274 WeakPolarHBondContact OD1-CE 3.37Å; D255-K274 IonicContact OD1-NZ 2.62Å; D255-K274 PolarHBondContact OD1-NZ 2.92Å; D255-K274 IonicContact OD2-NZ 2.81Å; D255-K274 PolarHBondContact OD2-NZ 3.41Å
256	Y	93.2	Very high	87	Confident	23 Å²	23	68 Å²	68	9%	0.09	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.7	174.7	69.6	-91.3	0	0	0	109.6	L250 K251 Q252 D253 V265 H266 L300 V304	L250-Y256 HydrophobicContact CB-CD1 3.86Å; L250-Y256 HydrophobicContact CB-CE1 4.1Å; K251-Y256 VanDerWaalsContact C-CE1 3.45Å; K251-Y256 PolarHBondContact O-N 2.88Å; Q252-Y256 CarbonylContact C-O 3.59Å; Q252-Y256 HydrophobicContact CB-CE1 4.33Å; Q252-Y256 HydrophobicContact CB-CE2 3.96Å; Q252-Y256 HydrophobicContact CG-CE2 3.95Å; Q252-Y256 VanDerWaalsContact N-CE1 3.35Å; D253-Y256 PolarHBondContact N-O 2.91Å; Y256-V265 HydrophobicContact CD2-CG1 3.6Å; Y256-V265 HydrophobicContact CE2-CG1 4.28Å; Y256-V265 HydrophobicContact CG-CG1 4.15Å; Y256-H266 CarbonylContact C-O 3.41Å; Y256-H266 WeakPolarHBondContact CA-O 3.26Å; Y256-H266 VanDerWaalsContact CB-O 3.3Å; Y256-H266 WeakPolarHBondContact CB-O 3.13Å; Y256-L300 HydrophobicContact CD1-CD2 3.87Å; Y256-L300 HydrophobicContact CE1-CD2 4.02Å; Y256-L300 HydrophobicContact CG-CD2 4.24Å; Y256-V304 HydrophobicContact CE2-CG1 4.28Å; Y256-V304 HydrophobicContact CE2-CG2 3.64Å; Y256-V304 WeakPolarHBondContact OH-CG2 3.43Å
257	K	88.4	Confident	86.7	Confident	65 Å²	65	68.5 Å²	68.5	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.2	171.1	-65.1	-175.6	177.1	-175.7	0	109.3	V265 H266 T268 D663	K257-V265 WeakPolarHBondContact O-CA 3.37Å; K257-H266 PolarHBondContact N-O 2.99Å; K257-H266 PolarHBondContact O-N 2.89Å; K257-T268 HydrophobicContact CG-CG2 3.98Å; K257-D663 HydrophobicContact CD-CB 4.37Å; K257-D663 VanDerWaalsContact CD-OD2 3.24Å; K257-D663 WeakPolarHBondContact CD-OD2 3.34Å; K257-D663 IonicContact NZ-OD1 2.98Å; K257-D663 PolarHBondContact NZ-OD1 2.93Å; K257-D663 IonicContact NZ-OD2 2.77Å; K257-D663 PolarHBondContact NZ-OD2 2.81Å
258	Y	88.1	Confident	86.5	Confident	51 Å²	51	69 Å²	69	20%	0.2	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.5	175.4	173.4	-120.1	0	0	0	109	E260 K263 A264 V265 V304 T305	Y258-E260 HydrophobicContact CD1-CG 4.14Å; Y258-E260 HydrophobicContact CE1-CB 4.45Å; Y258-E260 HydrophobicContact CE1-CG 3.84Å; Y258-K263 HydrophobicContact CE2-CB 4.19Å; Y258-A264 WeakPolarHBondContact CA-O 3.43Å; Y258-A264 WeakPolarHBondContact CD2-O 3.47Å; Y258-V265 HydrophobicContact CD2-CG2 3.79Å; Y258-V265 HydrophobicContact CE2-CG2 4.38Å; Y258-V304 HydrophobicContact CD1-CG1 4.01Å; Y258-V304 HydrophobicContact CD2-CG1 3.58Å; Y258-V304 HydrophobicContact CE1-CG1 4.37Å; Y258-V304 HydrophobicContact CE2-CG1 3.97Å; Y258-V304 HydrophobicContact CG-CG1 3.59Å; Y258-T305 HydrophobicContact CD2-CG2 4.49Å; Y258-T305 HydrophobicContact CE2-CG2 3.79Å
259	D	80	Confident	86.1	Confident	37 Å²	37	68.8 Å²	68.8	20%	0.198	33%	0.33	C	S	.	.			trans	-90.4	112.2	173.2	175.2	-1.3	0	0	0	109.2	K261 T262 K263 A264	D259-K261 PolarHBondContact O-N 3.32Å; D259-K261 WeakPolarHBondContact OD1-CB 3.32Å; D259-K261 PolarHBondContact OD1-N 3.41Å; D259-T262 WeakPolarHBondContact CB-OG1 3.49Å; D259-T262 PolarHBondContact OD1-N 2.89Å; D259-T262 VanDerWaalsContact OD2-CG2 3.23Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.38Å; D259-T262 PolarHBondContact OD2-OG1 3.48Å; D259-K263 WeakPolarHBondContact O-CA 3.3Å; D259-K263 PolarHBondContact O-N 3.44Å; D259-A264 PolarHBondContact N-O 2.86Å
260	E	77.9	Confident	86	Confident	159 Å²	159	68.6 Å²	68.6	74%	0.743	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.7	179.8	-66.9	-165.7	160.5	0	0	113.5	Y258	Y258-E260 HydrophobicContact CD1-CG 4.14Å; Y258-E260 HydrophobicContact CE1-CB 4.45Å; Y258-E260 HydrophobicContact CE1-CG 3.84Å
261	K	72.5	Confident	85.8	Confident	168 Å²	168	67.9 Å²	67.9	73%	0.73	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-48.1	-178	-65.8	177.2	-178.8	167.6	0	111	D259	D259-K261 PolarHBondContact O-N 3.32Å; D259-K261 WeakPolarHBondContact OD1-CB 3.32Å; D259-K261 PolarHBondContact OD1-N 3.41Å
262	T	70.9	Confident	85.6	Confident	48 Å²	48	63 Å²	63	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.4	-179.8	56.8	0	0	0	0	112.9	D259 A264 Y647	D259-T262 WeakPolarHBondContact CB-OG1 3.49Å; D259-T262 PolarHBondContact OD1-N 2.89Å; D259-T262 VanDerWaalsContact OD2-CG2 3.23Å; D259-T262 WeakPolarHBondContact OD2-CG2 3.38Å; D259-T262 PolarHBondContact OD2-OG1 3.48Å; T262-A264 PolarHBondContact O-N 3.17Å; T262-A264 VanDerWaalsContact OG1-CB 3.28Å; T262-A264 WeakPolarHBondContact OG1-CB 3.4Å; T262-A264 PolarHBondContact OG1-N 3.02Å; T262-Y647 HydrophobicContact CG2-CE1 3.68Å; T262-Y647 WeakPolarHBondContact CG2-OH 3.32Å
263	K	77.4	Confident	85.5	Confident	110 Å²	110	62.1 Å²	62.1	48%	0.478	30%	0.301	S	S	.	.			trans	56.8	19.3	-164.6	-55.8	-172.7	175.4	-174.3	0	113.4	Y258 D259 T305	Y258-K263 HydrophobicContact CE2-CB 4.19Å; D259-K263 WeakPolarHBondContact O-CA 3.3Å; D259-K263 PolarHBondContact O-N 3.44Å; K263-T305 HydrophobicContact CB-CG2 4.41Å; K263-T305 WeakPolarHBondContact O-CG2 3.1Å
264	A	75	Confident	85.8	Confident	28 Å²	28	59.6 Å²	59.6	23%	0.231	29%	0.285	C	S	.	.			trans	-76.1	144.4	177.3	0	0	0	0	0	110.6	Y258 D259 T262 H266	Y258-A264 WeakPolarHBondContact CA-O 3.43Å; Y258-A264 WeakPolarHBondContact CD2-O 3.47Å; D259-A264 PolarHBondContact N-O 2.86Å; T262-A264 PolarHBondContact O-N 3.17Å; T262-A264 VanDerWaalsContact OG1-CB 3.28Å; T262-A264 WeakPolarHBondContact OG1-CB 3.4Å; T262-A264 PolarHBondContact OG1-N 3.02Å; A264-H266 WeakPolarHBondContact CB-NE2 3.39Å
265	V	86.7	Confident	85.9	Confident	23 Å²	23	55.2 Å²	55.2	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.8	177.3	-173.2	0	0	0	0	107.8	Y256 K257 Y258 L300 V304 T305	Y256-V265 HydrophobicContact CD2-CG1 3.6Å; Y256-V265 HydrophobicContact CE2-CG1 4.28Å; Y256-V265 HydrophobicContact CG-CG1 4.15Å; K257-V265 WeakPolarHBondContact O-CA 3.37Å; Y258-V265 HydrophobicContact CD2-CG2 3.79Å; Y258-V265 HydrophobicContact CE2-CG2 4.38Å; V265-L300 HydrophobicContact CG1-CB 4.01Å; V265-L300 HydrophobicContact CG1-CD1 4.22Å; V265-V304 HydrophobicContact CG2-CB 4.09Å; V265-V304 HydrophobicContact CG2-CG1 4.13Å; V265-T305 HydrophobicContact CG2-CG2 3.88Å
266	H	85.3	Confident	85.9	Confident	39 Å²	39	57 Å²	57	18%	0.181	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.8	-178.5	-60.1	-78.9	0	0	0	110.1	Y256 K257 A264 D667	Y256-H266 CarbonylContact C-O 3.41Å; Y256-H266 WeakPolarHBondContact CA-O 3.26Å; Y256-H266 VanDerWaalsContact CB-O 3.3Å; Y256-H266 WeakPolarHBondContact CB-O 3.13Å; K257-H266 PolarHBondContact N-O 2.99Å; K257-H266 PolarHBondContact O-N 2.89Å; A264-H266 WeakPolarHBondContact CB-NE2 3.39Å; H266-D667 IonicContact CE1-OD2 3.19Å; H266-D667 IonicContact CG-OD2 2.88Å; H266-D667 IonicContact ND1-OD2 3.78Å; H266-D667 PolarHBondContact ND1-OD2 3.14Å
267	L	89	Confident	85.9	Confident	14 Å²	14	64 Å²	64	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.2	171	-73.1	171.6	0	0	0	109.9	L250 L284 I296 L300	L250-L267 HydrophobicContact CD1-CD2 3.94Å; L267-L284 HydrophobicContact CD1-CD2 3.71Å; L267-I296 HydrophobicContact CD1-CG2 4.03Å; L267-I296 HydrophobicContact CD2-CG2 4.45Å; L267-L300 HydrophobicContact CD2-CD1 3.68Å; L267-L300 HydrophobicContact CG-CD1 4.31Å
268	T	90.1	Very high	86	Confident	19 Å²	19	64 Å²	64	12%	0.117	30%	0.301	C	S	.	.			trans	-79.4	167.9	164.9	63.4	0	0	0	0	109.6	E254 D255 K257 Q270 G271 A272	E254-T268 PolarHBondContact O-OG1 3.43Å; D255-T268 VanDerWaalsContact CA-OG1 3.3Å; D255-T268 WeakPolarHBondContact CA-OG1 3.25Å; D255-T268 PolarHBondContact O-N 3.36Å; D255-T268 PolarHBondContact O-OG1 3.3Å; K257-T268 HydrophobicContact CG-CG2 3.98Å; T268-Q270 PolarHBondContact O-N 2.89Å; T268-G271 WeakPolarHBondContact O-CA 3.41Å; T268-G271 PolarHBondContact O-N 2.99Å; T268-G271 PolarHBondContact OG1-N 2.78Å; T268-G271 VanDerWaalsContact OG1-N 3.15Å; T268-A272 PolarHBondContact O-N 3.33Å
269	E	86.2	Confident	86.2	Confident	120 Å²	120	62.8 Å²	62.8	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-54.8	-41.1	172.3	-168.5	-179.1	-172.1	0	0	111.2	G271 A272 D273	E269-G271 VanDerWaalsContact C-N 3.32Å; E269-G271 PolarHBondContact O-N 3.03Å; E269-A272 PolarHBondContact O-N 3.17Å; E269-D273 PolarHBondContact O-N 3.04Å
270	Q	90.2	Very high	86.7	Confident	115 Å²	115	70 Å²	70	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-36	174.8	-63.8	-174.9	23.5	0	0	113.1	T268 K274	T268-Q270 PolarHBondContact O-N 2.89Å; Q270-K274 VanDerWaalsContact O-CG 3.31Å; Q270-K274 WeakPolarHBondContact O-CG 3.24Å; Q270-K274 PolarHBondContact O-N 3.01Å; Q270-K274 VanDerWaalsContact O-N 3.08Å
271	G	91.8	Very high	87.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-43.7	173.7	0	0	0	0	0	112.4	D255 T268 E269 K274 A275	D255-G271 VanDerWaalsContact O-CA 3.26Å; D255-G271 WeakPolarHBondContact O-CA 3.41Å; T268-G271 WeakPolarHBondContact O-CA 3.41Å; T268-G271 PolarHBondContact O-N 2.99Å; T268-G271 PolarHBondContact OG1-N 2.78Å; T268-G271 VanDerWaalsContact OG1-N 3.15Å; E269-G271 VanDerWaalsContact C-N 3.32Å; E269-G271 PolarHBondContact O-N 3.03Å; G271-K274 PolarHBondContact O-N 3.42Å; G271-A275 PolarHBondContact O-N 2.8Å
272	A	89.4	Confident	87.7	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-48.9	174.5	0	0	0	0	0	111.2	T268 E269 K274 A275 E276 L284 Y285	T268-A272 PolarHBondContact O-N 3.33Å; E269-A272 PolarHBondContact O-N 3.17Å; A272-K274 PolarHBondContact O-N 3.43Å; A272-A275 WeakPolarHBondContact O-CA 3.41Å; A272-A275 VanDerWaalsContact O-CB 3.31Å; A272-A275 WeakPolarHBondContact O-CB 3.23Å; A272-A275 PolarHBondContact O-N 2.83Å; A272-E276 WeakPolarHBondContact O-CG 3.35Å; A272-E276 PolarHBondContact O-N 3.16Å; A272-L284 HydrophobicContact CB-CD2 4.34Å; A272-Y285 HydrophobicContact CB-CE2 4.05Å
273	D	91.5	Very high	88.3	Confident	70 Å²	70	62.1 Å²	62.1	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-56.4	-36.8	175	-76.2	-11.3	0	0	0	112.7	E269 R277	E269-D273 PolarHBondContact O-N 3.04Å; D273-R277 WeakPolarHBondContact O-CG 3.49Å; D273-R277 PolarHBondContact O-N 3Å; D273-R277 PolarHBondContact O-NE 3.3Å
274	K	93.9	Very high	88.7	Confident	67 Å²	67	56.9 Å²	56.9	29%	0.291	27%	0.268	S	S	.	.	H	α-helix	trans	-70.3	-39.8	176.3	-78.9	179.8	-175.3	179.9	0	111.1	F246 L250 D255 Q270 G271 A272 M278	F246-K274 HydrophobicContact CE2-CB 4.05Å; F246-K274 HydrophobicContact CZ-CB 4.23Å; L250-K274 HydrophobicContact CD2-CB 4.46Å; L250-K274 HydrophobicContact CD2-CD 4.19Å; D255-K274 VanDerWaalsContact OD1-CD 3.27Å; D255-K274 WeakPolarHBondContact OD1-CD 3.47Å; D255-K274 WeakPolarHBondContact OD1-CE 3.37Å; D255-K274 IonicContact OD1-NZ 2.62Å; D255-K274 PolarHBondContact OD1-NZ 2.92Å; D255-K274 IonicContact OD2-NZ 2.81Å; D255-K274 PolarHBondContact OD2-NZ 3.41Å; Q270-K274 VanDerWaalsContact O-CG 3.31Å; Q270-K274 WeakPolarHBondContact O-CG 3.24Å; Q270-K274 PolarHBondContact O-N 3.01Å; Q270-K274 VanDerWaalsContact O-N 3.08Å; G271-K274 PolarHBondContact O-N 3.42Å; A272-K274 PolarHBondContact O-N 3.43Å; K274-M278 WeakPolarHBondContact O-CB 3.36Å; K274-M278 PolarHBondContact O-N 3.33Å
275	A	92.9	Very high	89.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-49.7	176.2	0	0	0	0	0	110.5	F246 G271 A272 R277 M278 F279 L284 I296	F246-A275 HydrophobicContact CE1-CB 3.78Å; F246-A275 HydrophobicContact CE2-CB 4.3Å; F246-A275 HydrophobicContact CZ-CB 3.46Å; F246-A275 VanDerWaalsContact CZ-CB 3.46Å; F246-A275 VanDerWaalsContact CZ-N 3.34Å; G271-A275 PolarHBondContact O-N 2.8Å; A272-A275 WeakPolarHBondContact O-CA 3.41Å; A272-A275 VanDerWaalsContact O-CB 3.31Å; A272-A275 WeakPolarHBondContact O-CB 3.23Å; A272-A275 PolarHBondContact O-N 2.83Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.14Å; A275-M278 PolarHBondContact O-N 2.94Å; A275-M278 VanDerWaalsContact O-N 3.07Å; A275-F279 WeakPolarHBondContact O-CD2 3.4Å; A275-F279 PolarHBondContact O-N 3.42Å; A275-L284 HydrophobicContact CB-CD1 4.07Å; A275-L284 HydrophobicContact CB-CD2 3.82Å; A275-L284 HydrophobicContact CB-CG 4.48Å; A275-I296 HydrophobicContact CB-CD1 3.75Å
276	E	93	Very high	88.9	Confident	37 Å²	37	57 Å²	57	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-53.9	-46.6	178.4	-72.8	169.7	178.2	0	0	112	A272 K280 V281 N283 L284	A272-E276 WeakPolarHBondContact O-CG 3.35Å; A272-E276 PolarHBondContact O-N 3.16Å; E276-K280 WeakPolarHBondContact O-CA 3.33Å; E276-K280 PolarHBondContact O-N 2.87Å; E276-V281 HydrophobicContact CB-CG2 4.35Å; E276-V281 WeakPolarHBondContact CB-O 3.4Å; E276-V281 HydrophobicContact CG-CG2 4.1Å; E276-V281 PolarHBondContact O-N 2.96Å; E276-N283 WeakPolarHBondContact OE1-CA 3.47Å; E276-L284 HydrophobicContact CG-CB 3.93Å; E276-L284 PolarHBondContact OE1-N 2.89Å
277	R	92.8	Very high	88.2	Confident	170 Å²	170	56.2 Å²	56.2	64%	0.642	26%	0.26	S	S	*	.	H	α-helix	trans	-65.7	-39.8	176.4	-73.8	178.4	-73.8	-177.9	-7.6	113.7	D273 A275	D273-R277 WeakPolarHBondContact O-CG 3.49Å; D273-R277 PolarHBondContact O-N 3Å; D273-R277 PolarHBondContact O-NE 3.3Å; A275-R277 VanDerWaalsContact C-N 3.3Å; A275-R277 PolarHBondContact O-N 3.14Å
278	M	91.9	Very high	87.6	Confident	64 Å²	64	63.2 Å²	63.2	32%	0.315	29%	0.293	S	S	.	.	H	α-helix	trans	-73.9	-45.6	-177.7	175.8	159.9	164.9	0	0	111.9	V245 F246 M249 K274 A275 K280	V245-M278 HydrophobicContact CB-CE 4.38Å; V245-M278 HydrophobicContact CG1-CE 4.13Å; F246-M278 HydrophobicContact CB-CE 3.81Å; F246-M278 HydrophobicContact CB-SD 3.74Å; F246-M278 HydrophobicContact CD2-CB 4.23Å; F246-M278 HydrophobicContact CD2-CG 4.32Å; F246-M278 HydrophobicContact CD2-SD 3.41Å; F246-M278 WeakPolarHBondContact CD2-SD 3.42Å; F246-M278 HydrophobicContact CE2-CB 4.38Å; F246-M278 HydrophobicContact CE2-SD 4.39Å; F246-M278 HydrophobicContact CG-SD 3.99Å; M249-M278 HydrophobicContact SD-SD 4.3Å; K274-M278 WeakPolarHBondContact O-CB 3.36Å; K274-M278 PolarHBondContact O-N 3.33Å; A275-M278 PolarHBondContact O-N 2.94Å; A275-M278 VanDerWaalsContact O-N 3.07Å; M278-K280 VanDerWaalsContact C-N 3.31Å
279	F	92.3	Very high	87.3	Confident	26 Å²	26	63.4 Å²	63.4	11%	0.114	29%	0.293	C	S	.	.	H	α-helix	trans	-85.3	-6.9	-179.1	-69.8	-89	0	0	0	112.9	Q242 F246 A275 V281 V292 I296	Q242-F279 HydrophobicContact CB-CE1 3.96Å; Q242-F279 HydrophobicContact CB-CZ 4.34Å; F246-F279 HydrophobicContact CB-CE2 3.98Å; F246-F279 HydrophobicContact CB-CZ 4.24Å; F246-F279 HydrophobicContact CD1-CE2 4.01Å; F246-F279 HydrophobicContact CD2-CE2 4.34Å; F246-F279 AromaticContact CG-CE2 3.85Å; F246-F279 HydrophobicContact CG-CE2 3.85Å; A275-F279 WeakPolarHBondContact O-CD2 3.4Å; A275-F279 PolarHBondContact O-N 3.42Å; F279-V281 HydrophobicContact CB-CG1 4.35Å; F279-V281 HydrophobicContact CB-CG2 4.44Å; F279-V292 HydrophobicContact CB-CG1 3.82Å; F279-V292 HydrophobicContact CD1-CG1 3.5Å; F279-V292 VanDerWaalsContact CD1-CG1 3.5Å; F279-V292 HydrophobicContact CD1-CG2 4.33Å; F279-V292 HydrophobicContact CD2-CG1 3.86Å; F279-V292 HydrophobicContact CE1-CG1 3.97Å; F279-V292 HydrophobicContact CE2-CG1 4.3Å; F279-V292 HydrophobicContact CG-CG1 3.43Å; F279-V292 VanDerWaalsContact CG-CG1 3.43Å; F279-V292 HydrophobicContact CZ-CG1 4.34Å; F279-I296 HydrophobicContact CD2-CD1 3.88Å; F279-I296 HydrophobicContact CE2-CD1 3.54Å; F279-I296 HydrophobicContact CE2-CG1 3.8Å; F279-I296 HydrophobicContact CZ-CD1 4.16Å; F279-I296 HydrophobicContact CZ-CG1 3.99Å
280	K	90.2	Very high	86.9	Confident	188 Å²	188	58.7 Å²	58.7	82%	0.817	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	47.3	178.8	-54	177.7	-177.4	175	0	112.1	E276 M278	E276-K280 WeakPolarHBondContact O-CA 3.33Å; E276-K280 PolarHBondContact O-N 2.87Å; M278-K280 VanDerWaalsContact C-N 3.31Å
281	V	87.9	Confident	86.5	Confident	24 Å²	24	57.3 Å²	57.3	15%	0.145	27%	0.269	C	S	.	.			trans	-112.3	147.3	176.3	-60.7	0	0	0	0	108.8	E276 F279 L284 N289	E276-V281 HydrophobicContact CB-CG2 4.35Å; E276-V281 WeakPolarHBondContact CB-O 3.4Å; E276-V281 HydrophobicContact CG-CG2 4.1Å; E276-V281 PolarHBondContact O-N 2.96Å; F279-V281 HydrophobicContact CB-CG1 4.35Å; F279-V281 HydrophobicContact CB-CG2 4.44Å; V281-L284 HydrophobicContact CG2-CD1 4.49Å; V281-N289 WeakPolarHBondContact CG1-OD1 3.33Å
282	E	83.5	Confident	86.3	Confident	166 Å²	166	58.2 Å²	58.2	78%	0.776	27%	0.274	S	S	*	.	S	Bend	trans	-75.7	-43.9	-176.8	-64.7	-169.6	173.4	0	0	112
283	N	83	Confident	86.2	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.112	27%	0.274	C	S	.	.			trans	-135.8	125.8	170.7	171.4	15.3	0	0	0	109.5	E276 Y285 D286 N289 K780 V782	E276-N283 WeakPolarHBondContact OE1-CA 3.47Å; N283-Y285 PolarHBondContact O-N 2.89Å; N283-Y285 WeakPolarHBondContact OD1-CD2 3.46Å; N283-Y285 PolarHBondContact OD1-N 3.39Å; N283-D286 WeakPolarHBondContact CB-OD2 3.41Å; N283-D286 PolarHBondContact ND2-OD1 2.85Å; N283-D286 PolarHBondContact O-N 2.8Å; N283-N289 PolarHBondContact O-ND2 3.46Å; N283-K780 PolarHBondContact ND2-O 3.02Å; N283-V782 PolarHBondContact ND2-N 2.69Å
284	L	86.9	Confident	85.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.8	-178.2	-176.7	64.6	0	0	0	112.9	L267 A272 A275 E276 V281 V292 I293 I296	L267-L284 HydrophobicContact CD1-CD2 3.71Å; A272-L284 HydrophobicContact CB-CD2 4.34Å; A275-L284 HydrophobicContact CB-CD1 4.07Å; A275-L284 HydrophobicContact CB-CD2 3.82Å; A275-L284 HydrophobicContact CB-CG 4.48Å; E276-L284 HydrophobicContact CG-CB 3.93Å; E276-L284 PolarHBondContact OE1-N 2.89Å; V281-L284 HydrophobicContact CG2-CD1 4.49Å; L284-V292 HydrophobicContact CD1-CG1 4.03Å; L284-I293 HydrophobicContact CD1-CB 4.05Å; L284-I293 HydrophobicContact CD2-CD1 4.29Å; L284-I293 HydrophobicContact CD2-CG1 4.21Å; L284-I293 HydrophobicContact CG-CB 4.04Å; L284-I293 HydrophobicContact CG-CD1 4.21Å; L284-I293 HydrophobicContact CG-CG1 4.21Å; L284-I296 HydrophobicContact CD1-CD1 4.05Å
285	Y	85.1	Confident	85.7	Confident	22 Å²	22	54.4 Å²	54.4	9%	0.086	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1	-173.6	-55.9	-77.8	0	0	0	113.5	A272 N283 I293 K776 F777 K780 S781	A272-Y285 HydrophobicContact CB-CE2 4.05Å; N283-Y285 PolarHBondContact O-N 2.89Å; N283-Y285 WeakPolarHBondContact OD1-CD2 3.46Å; N283-Y285 PolarHBondContact OD1-N 3.39Å; Y285-I293 HydrophobicContact CD1-CD1 3.46Å; Y285-I293 VanDerWaalsContact CD1-CD1 3.46Å; Y285-I293 HydrophobicContact CE1-CD1 3.46Å; Y285-I293 VanDerWaalsContact CE1-CD1 3.46Å; Y285-K776 VanDerWaalsContact CE1-CE 3.44Å; Y285-F777 WeakPolarHBondContact O-CD1 3.44Å; Y285-K780 HydrophobicContact CG-CB 4.5Å; Y285-S781 PolarHBondContact O-OG 3.22Å
286	D	79.9	Confident	85.6	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.171	26%	0.26	C	S	.	.	S	Bend	trans	-66.4	151.3	175.4	-68.6	-18.3	0	0	0	111.7	N283 Q288 N289 V782	N283-D286 WeakPolarHBondContact CB-OD2 3.41Å; N283-D286 PolarHBondContact ND2-OD1 2.85Å; N283-D286 PolarHBondContact O-N 2.8Å; D286-Q288 PolarHBondContact O-N 2.82Å; D286-Q288 VanDerWaalsContact O-N 3.09Å; D286-N289 PolarHBondContact O-N 3.15Å; D286-V782 PolarHBondContact OD1-N 2.9Å; D286-V782 VanDerWaalsContact OD1-N 3.14Å
287	V	71.7	Confident	85.5	Confident	21 Å²	21	55.1 Å²	55.1	13%	0.127	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-53.9	-35.3	-180	-174.6	0	0	0	0	112.1	N289 V290 F714 M717 I718 R721	V287-N289 PolarHBondContact O-N 3.14Å; V287-V290 WeakPolarHBondContact O-CG2 3.45Å; V287-F714 HydrophobicContact CG2-CE2 4Å; V287-M717 HydrophobicContact CG1-SD 3.77Å; V287-I718 HydrophobicContact CG2-CD1 3.32Å; V287-R721 PolarHBondContact O-NH1 3.01Å; V287-R721 PolarHBondContact O-NH2 3.32Å
288	Q	74.5	Confident	85.4	Confident	161 Å²	161	47.5 Å²	47.5	75%	0.752	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-69.3	-19.5	179.3	-61.4	179.4	9.9	0	0	113.3	D286	D286-Q288 PolarHBondContact O-N 2.82Å; D286-Q288 VanDerWaalsContact O-N 3.09Å
289	N	84.4	Confident	85.5	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.128	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-108	6	-171.3	-60.5	-42.8	0	0	0	113.9	V281 N283 D286 V287 D291 V292 I293	V281-N289 WeakPolarHBondContact CG1-OD1 3.33Å; N283-N289 PolarHBondContact O-ND2 3.46Å; D286-N289 PolarHBondContact O-N 3.15Å; V287-N289 PolarHBondContact O-N 3.14Å; N289-D291 PolarHBondContact O-N 2.86Å; N289-D291 VanDerWaalsContact O-N 3.16Å; N289-V292 WeakPolarHBondContact O-CA 3.25Å; N289-V292 WeakPolarHBondContact O-CB 3.35Å; N289-V292 PolarHBondContact O-N 2.83Å; N289-I293 PolarHBondContact O-N 2.95Å; N289-I293 VanDerWaalsContact O-N 3.1Å
290	V	77.4	Confident	85.6	Confident	20 Å²	20	43.4 Å²	43.4	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-55.2	-35.7	-179.1	174	0	0	0	0	112.5	V287 V292 I293 S294 R721 F777	V287-V290 WeakPolarHBondContact O-CG2 3.45Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V290-V292 PolarHBondContact O-N 2.71Å; V290-I293 VanDerWaalsContact CA-CG2 3.48Å; V290-I293 WeakPolarHBondContact O-CG2 3.27Å; V290-S294 WeakPolarHBondContact O-CB 3.45Å; V290-S294 PolarHBondContact O-N 3.13Å; V290-R721 VanDerWaalsContact CB-NH2 3.35Å; V290-F777 HydrophobicContact CB-CZ 4.5Å; V290-F777 HydrophobicContact CG1-CZ 4.16Å; V290-F777 HydrophobicContact CG2-CD1 4.44Å; V290-F777 HydrophobicContact CG2-CE1 3.8Å; V290-F777 HydrophobicContact CG2-CE2 4.42Å; V290-F777 HydrophobicContact CG2-CZ 3.8Å
291	D	82	Confident	85.6	Confident	87 Å²	87	37.7 Å²	37.7	47%	0.465	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-41.2	176.4	-71.6	-21.2	0	0	0	111.3	N289 H295	N289-D291 PolarHBondContact O-N 2.86Å; N289-D291 VanDerWaalsContact O-N 3.16Å; D291-H295 PolarHBondContact O-N 2.9Å; D291-H295 PolarHBondContact O-ND1 3.43Å
292	V	88.7	Confident	85.9	Confident	18 Å²	18	36.5 Å²	36.5	11%	0.109	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-52.5	179	175.2	0	0	0	0	110.1	F279 L284 N289 V290 S294 H295 I296	F279-V292 HydrophobicContact CB-CG1 3.82Å; F279-V292 HydrophobicContact CD1-CG1 3.5Å; F279-V292 VanDerWaalsContact CD1-CG1 3.5Å; F279-V292 HydrophobicContact CD1-CG2 4.33Å; F279-V292 HydrophobicContact CD2-CG1 3.86Å; F279-V292 HydrophobicContact CE1-CG1 3.97Å; F279-V292 HydrophobicContact CE2-CG1 4.3Å; F279-V292 HydrophobicContact CG-CG1 3.43Å; F279-V292 VanDerWaalsContact CG-CG1 3.43Å; F279-V292 HydrophobicContact CZ-CG1 4.34Å; L284-V292 HydrophobicContact CD1-CG1 4.03Å; N289-V292 WeakPolarHBondContact O-CA 3.25Å; N289-V292 WeakPolarHBondContact O-CB 3.35Å; N289-V292 PolarHBondContact O-N 2.83Å; V290-V292 VanDerWaalsContact C-N 3.34Å; V290-V292 PolarHBondContact O-N 2.71Å; V292-S294 VanDerWaalsContact C-N 3.34Å; V292-S294 PolarHBondContact O-N 3.49Å; V292-H295 PolarHBondContact O-N 3.21Å; V292-I296 HydrophobicContact CG1-CD1 3.78Å; V292-I296 HydrophobicContact CG1-CG1 4.46Å; V292-I296 VanDerWaalsContact O-CG1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.94Å
293	I	86.2	Confident	86.5	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-41.1	179.4	-172.4	174.4	0	0	0	111.8	L284 Y285 N289 V290 H295 I296 N297	L284-I293 HydrophobicContact CD1-CB 4.05Å; L284-I293 HydrophobicContact CD2-CD1 4.29Å; L284-I293 HydrophobicContact CD2-CG1 4.21Å; L284-I293 HydrophobicContact CG-CB 4.04Å; L284-I293 HydrophobicContact CG-CD1 4.21Å; L284-I293 HydrophobicContact CG-CG1 4.21Å; Y285-I293 HydrophobicContact CD1-CD1 3.46Å; Y285-I293 VanDerWaalsContact CD1-CD1 3.46Å; Y285-I293 HydrophobicContact CE1-CD1 3.46Å; Y285-I293 VanDerWaalsContact CE1-CD1 3.46Å; N289-I293 PolarHBondContact O-N 2.95Å; N289-I293 VanDerWaalsContact O-N 3.1Å; V290-I293 VanDerWaalsContact CA-CG2 3.48Å; V290-I293 WeakPolarHBondContact O-CG2 3.27Å; I293-H295 PolarHBondContact O-N 3.01Å; I293-I296 PolarHBondContact O-N 2.85Å; I293-N297 WeakPolarHBondContact O-CB 3.45Å; I293-N297 PolarHBondContact O-N 3.41Å
294	S	83.9	Confident	86.9	Confident	50 Å²	50	31.6 Å²	31.6	35%	0.35	16%	0.163	S	C	.	.	H	α-helix	trans	-58.8	-47.5	175.4	179.1	0	0	0	0	111.3	V290 V292 I296 N297 T298	V290-S294 WeakPolarHBondContact O-CB 3.45Å; V290-S294 PolarHBondContact O-N 3.13Å; V292-S294 VanDerWaalsContact C-N 3.34Å; V292-S294 PolarHBondContact O-N 3.49Å; S294-I296 PolarHBondContact O-N 3.35Å; S294-N297 PolarHBondContact O-N 2.88Å; S294-T298 VanDerWaalsContact O-CB 3.32Å; S294-T298 WeakPolarHBondContact O-CB 3.22Å; S294-T298 PolarHBondContact O-N 3.44Å; S294-T298 PolarHBondContact O-OG1 2.93Å
295	H	90.5	Very high	87	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-37.1	177.9	-74.2	81.6	0	0	0	112.5	Y240 A243 D291 V292 I293 A299	Y240-H295 AromaticContact CD1-CD2 3.66Å; Y240-H295 AromaticContact CD2-CD2 3.8Å; Y240-H295 AromaticContact CD2-NE2 3.72Å; Y240-H295 AromaticContact CE1-CD2 3.65Å; Y240-H295 AromaticContact CE2-CD2 3.81Å; Y240-H295 AromaticContact CE2-NE2 3.45Å; Y240-H295 WeakPolarHBondContact CE2-NE2 3.22Å; Y240-H295 AromaticContact CG-CD2 3.72Å; Y240-H295 AromaticContact CZ-CD2 3.72Å; Y240-H295 AromaticContact CZ-NE2 3.62Å; A243-H295 HydrophobicContact CB-CB 3.79Å; A243-H295 WeakPolarHBondContact CB-O 3.36Å; D291-H295 PolarHBondContact O-N 2.9Å; D291-H295 PolarHBondContact O-ND1 3.43Å; V292-H295 PolarHBondContact O-N 3.21Å; I293-H295 PolarHBondContact O-N 3.01Å; H295-A299 WeakPolarHBondContact O-CB 3.43Å; H295-A299 PolarHBondContact O-N 2.99Å
296	I	92.7	Very high	87.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-51.1	175.6	-69.7	169.1	0	0	0	110.4	F246 L267 A275 F279 L284 V292 I293 S294 T298 A299 L300	F246-I296 HydrophobicContact CD1-CB 4.39Å; F246-I296 HydrophobicContact CD1-CD1 3.99Å; F246-I296 HydrophobicContact CD1-CG1 3.79Å; F246-I296 HydrophobicContact CD1-CG2 3.8Å; F246-I296 HydrophobicContact CE1-CD1 3.87Å; F246-I296 HydrophobicContact CE1-CG1 4.09Å; F246-I296 HydrophobicContact CE1-CG2 3.66Å; L267-I296 HydrophobicContact CD1-CG2 4.03Å; L267-I296 HydrophobicContact CD2-CG2 4.45Å; A275-I296 HydrophobicContact CB-CD1 3.75Å; F279-I296 HydrophobicContact CD2-CD1 3.88Å; F279-I296 HydrophobicContact CE2-CD1 3.54Å; F279-I296 HydrophobicContact CE2-CG1 3.8Å; F279-I296 HydrophobicContact CZ-CD1 4.16Å; F279-I296 HydrophobicContact CZ-CG1 3.99Å; L284-I296 HydrophobicContact CD1-CD1 4.05Å; V292-I296 HydrophobicContact CG1-CD1 3.78Å; V292-I296 HydrophobicContact CG1-CG1 4.46Å; V292-I296 VanDerWaalsContact O-CG1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.94Å; I293-I296 PolarHBondContact O-N 2.85Å; S294-I296 PolarHBondContact O-N 3.35Å; I296-T298 PolarHBondContact O-N 3.39Å; I296-A299 PolarHBondContact O-N 2.94Å; I296-L300 HydrophobicContact CG2-CD1 4.13Å; I296-L300 WeakPolarHBondContact O-CB 3.27Å; I296-L300 PolarHBondContact O-N 3Å
297	N	89.7	Confident	87.9	Confident	52 Å²	52	36.5 Å²	36.5	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-44.3	-179.3	-72	-15	0	0	0	111	I293 S294 A299 L300 R301	I293-N297 WeakPolarHBondContact O-CB 3.45Å; I293-N297 PolarHBondContact O-N 3.41Å; S294-N297 PolarHBondContact O-N 2.88Å; N297-A299 VanDerWaalsContact C-N 3.35Å; N297-A299 PolarHBondContact O-N 3.46Å; N297-L300 PolarHBondContact O-N 2.98Å; N297-R301 VanDerWaalsContact O-CB 3.31Å; N297-R301 WeakPolarHBondContact O-CB 3.49Å; N297-R301 PolarHBondContact O-N 2.96Å
298	T	90.7	Very high	88.9	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-37	177.1	-61.2	0	0	0	0	112	S294 I296 A302 L339 A342	S294-T298 VanDerWaalsContact O-CB 3.32Å; S294-T298 WeakPolarHBondContact O-CB 3.22Å; S294-T298 PolarHBondContact O-N 3.44Å; S294-T298 PolarHBondContact O-OG1 2.93Å; I296-T298 PolarHBondContact O-N 3.39Å; T298-A302 WeakPolarHBondContact O-CB 2.86Å; T298-A302 PolarHBondContact O-N 3.22Å; T298-L339 VanDerWaalsContact CG2-CA 3.47Å; T298-L339 HydrophobicContact CG2-CB 4.14Å; T298-L339 HydrophobicContact CG2-CD1 4.06Å; T298-A342 HydrophobicContact CG2-CB 3.75Å
299	A	94.2	Very high	89.6	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-46.9	173.7	0	0	0	0	0	111.9	A243 A247 H295 I296 N297 R301 A302 H303	A243-A299 HydrophobicContact CB-CB 3.93Å; A247-A299 HydrophobicContact CB-CB 3.93Å; H295-A299 WeakPolarHBondContact O-CB 3.43Å; H295-A299 PolarHBondContact O-N 2.99Å; I296-A299 PolarHBondContact O-N 2.94Å; N297-A299 VanDerWaalsContact C-N 3.35Å; N297-A299 PolarHBondContact O-N 3.46Å; A299-R301 VanDerWaalsContact C-N 3.35Å; A299-R301 PolarHBondContact O-N 2.69Å; A299-A302 WeakPolarHBondContact O-CB 3.42Å; A299-A302 PolarHBondContact O-N 3.2Å; A299-H303 PolarHBondContact O-CD2 2.87Å; A299-H303 PolarHBondContact O-N 3.41Å
300	L	93.8	Very high	89.7	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-46.3	175.1	-85.4	174.8	0	0	0	111.3	A247 L250 Y256 V265 L267 I296 N297 A302 H303 V304	A247-L300 HydrophobicContact CB-CD2 4.18Å; A247-L300 HydrophobicContact CB-CG 4.32Å; L250-L300 HydrophobicContact CB-CD2 4.45Å; L250-L300 HydrophobicContact CD1-CD1 3.83Å; L250-L300 HydrophobicContact CD1-CD2 3.84Å; L250-L300 HydrophobicContact CD1-CG 4.12Å; Y256-L300 HydrophobicContact CD1-CD2 3.87Å; Y256-L300 HydrophobicContact CE1-CD2 4.02Å; Y256-L300 HydrophobicContact CG-CD2 4.24Å; V265-L300 HydrophobicContact CG1-CB 4.01Å; V265-L300 HydrophobicContact CG1-CD1 4.22Å; L267-L300 HydrophobicContact CD2-CD1 3.68Å; L267-L300 HydrophobicContact CG-CD1 4.31Å; I296-L300 HydrophobicContact CG2-CD1 4.13Å; I296-L300 WeakPolarHBondContact O-CB 3.27Å; I296-L300 PolarHBondContact O-N 3Å; N297-L300 PolarHBondContact O-N 2.98Å; L300-A302 VanDerWaalsContact C-N 3.34Å; L300-A302 PolarHBondContact O-N 3.43Å; L300-H303 PolarHBondContact O-N 3.5Å; L300-H303 VanDerWaalsContact O-N 3.09Å; L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.36Å; L300-V304 PolarHBondContact O-N 3.21Å
301	R	91.4	Very high	90.3	Very high	68 Å²	68	41 Å²	41	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-55.8	-48.9	174	-169.5	170.8	75.8	-174.8	0.4	111	N297 A299 H303 V304 T305 E337 L339	N297-R301 VanDerWaalsContact O-CB 3.31Å; N297-R301 WeakPolarHBondContact O-CB 3.49Å; N297-R301 PolarHBondContact O-N 2.96Å; A299-R301 VanDerWaalsContact C-N 3.35Å; A299-R301 PolarHBondContact O-N 2.69Å; R301-H303 VanDerWaalsContact C-N 3.26Å; R301-H303 PolarHBondContact O-N 3.25Å; R301-V304 PolarHBondContact O-N 3.49Å; R301-T305 HydrophobicContact CG-CG2 4.04Å; R301-T305 WeakPolarHBondContact CG-OG1 3.49Å; R301-T305 PolarHBondContact O-N 3.12Å; R301-T305 PolarHBondContact O-OG1 3.19Å; R301-E337 IonicContact CZ-OE2 2.67Å; R301-E337 VanDerWaalsContact CZ-OE2 3.24Å; R301-E337 IonicContact NH1-OE2 3.03Å; R301-E337 PolarHBondContact NH1-OE2 2.87Å; R301-E337 IonicContact NH2-OE2 2.78Å; R301-E337 PolarHBondContact NH2-OE2 3.47Å; R301-L339 HydrophobicContact CB-CD1 4.26Å; R301-L339 HydrophobicContact CG-CD1 4.23Å
302	A	94.1	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-34.4	177	0	0	0	0	0	113.3	T298 A299 L300 L339 A342 I343 K346	T298-A302 WeakPolarHBondContact O-CB 2.86Å; T298-A302 PolarHBondContact O-N 3.22Å; A299-A302 WeakPolarHBondContact O-CB 3.42Å; A299-A302 PolarHBondContact O-N 3.2Å; L300-A302 VanDerWaalsContact C-N 3.34Å; L300-A302 PolarHBondContact O-N 3.43Å; A302-L339 HydrophobicContact CB-CD1 3.9Å; A302-A342 HydrophobicContact CB-CB 3.89Å; A302-I343 HydrophobicContact CB-CG1 4.03Å; A302-K346 WeakPolarHBondContact O-CD 3.11Å; A302-K346 PolarHBondContact O-NZ 3.28Å
303	H	94.9	Very high	91	Very high	53 Å²	53	39.2 Å²	39.2	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-79.4	-43.8	179.2	-85	-77.7	0	0	0	113.4	N244 A299 L300 R301	N244-H303 PolarHBondContact OD1-NE2 2.82Å; A299-H303 PolarHBondContact O-CD2 2.87Å; A299-H303 PolarHBondContact O-N 3.41Å; L300-H303 PolarHBondContact O-N 3.5Å; L300-H303 VanDerWaalsContact O-N 3.09Å; R301-H303 VanDerWaalsContact C-N 3.26Å; R301-H303 PolarHBondContact O-N 3.25Å
304	V	91.9	Very high	91.3	Very high	30 Å²	30	40.4 Å²	40.4	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-90.4	-40.3	-168.5	-179.2	0	0	0	0	111.8	Y256 Y258 V265 L300 R301	Y256-V304 HydrophobicContact CE2-CG1 4.28Å; Y256-V304 HydrophobicContact CE2-CG2 3.64Å; Y256-V304 WeakPolarHBondContact OH-CG2 3.43Å; Y258-V304 HydrophobicContact CD1-CG1 4.01Å; Y258-V304 HydrophobicContact CD2-CG1 3.58Å; Y258-V304 HydrophobicContact CE1-CG1 4.37Å; Y258-V304 HydrophobicContact CE2-CG1 3.97Å; Y258-V304 HydrophobicContact CG-CG1 3.59Å; V265-V304 HydrophobicContact CG2-CB 4.09Å; V265-V304 HydrophobicContact CG2-CG1 4.13Å; L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.36Å; L300-V304 PolarHBondContact O-N 3.21Å; R301-V304 PolarHBondContact O-N 3.49Å
305	T	89.9	Confident	91.6	Very high	18 Å²	18	40.4 Å²	40.4	11%	0.11	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-21.2	-169.8	76.5	0	0	0	0	114	Y258 K263 V265 R301	Y258-T305 HydrophobicContact CD2-CG2 4.49Å; Y258-T305 HydrophobicContact CE2-CG2 3.79Å; K263-T305 HydrophobicContact CB-CG2 4.41Å; K263-T305 WeakPolarHBondContact O-CG2 3.1Å; V265-T305 HydrophobicContact CG2-CG2 3.88Å; R301-T305 HydrophobicContact CG-CG2 4.04Å; R301-T305 WeakPolarHBondContact CG-OG1 3.49Å; R301-T305 PolarHBondContact O-N 3.12Å; R301-T305 PolarHBondContact O-OG1 3.19Å
306	L	92	Very high	91.4	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.094	24%	0.243	C	C	.	.			trans	-113.8	130.3	-176.4	-61	-177.3	0	0	0	112.6	D311 Y312 F335 L339 I343 K346	L306-D311 WeakPolarHBondContact CA-OD2 3.48Å; L306-D311 HydrophobicContact CB-CB 4.45Å; L306-D311 HydrophobicContact CD2-CB 3.92Å; L306-Y312 HydrophobicContact CB-CD1 4.32Å; L306-Y312 HydrophobicContact CB-CE1 4.01Å; L306-F335 HydrophobicContact CD1-CE2 4.27Å; L306-F335 HydrophobicContact CD1-CZ 4.26Å; L306-L339 HydrophobicContact CD1-CD1 4.1Å; L306-L339 HydrophobicContact CD1-CD2 3.69Å; L306-L339 HydrophobicContact CD1-CG 3.89Å; L306-I343 HydrophobicContact CD1-CD1 3.45Å; L306-I343 VanDerWaalsContact CD1-CD1 3.45Å; L306-I343 HydrophobicContact CD1-CG1 4.01Å; L306-K346 PolarHBondContact O-NZ 2.88Å
307	Q	91.3	Very high	91.2	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	26%	0.264	S	S	*	.			trans	-113.8	135	-178.3	-63.6	-179.5	10.9	0	0	111.6	V310 D311	Q307-V310 HydrophobicContact CB-CB 4.04Å; Q307-V310 HydrophobicContact CB-CG2 4.22Å; Q307-V310 PolarHBondContact O-N 3.46Å; Q307-D311 PolarHBondContact N-OD2 3.49Å; Q307-D311 PolarHBondContact O-N 3.39Å
308	R	92.1	Very high	91.1	Very high	125 Å²	125	53.5 Å²	53.5	47%	0.472	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-63.8	142.2	172.8	-178.6	178	173.2	157	-1.8	110.5	V310 Y312 E347	R308-V310 PolarHBondContact O-N 2.81Å; R308-Y312 CarbonylContact C-O 3.57Å; R308-Y312 HydrophobicContact CB-CE2 3.97Å; R308-Y312 HydrophobicContact CG-CE2 4.21Å; R308-E347 IonicContact CZ-OE2 2.67Å; R308-E347 IonicContact NH1-OE2 2.86Å; R308-E347 PolarHBondContact NH1-OE2 3.38Å
309	D	89.8	Confident	91.1	Very high	106 Å²	106	53.3 Å²	53.3	57%	0.567	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	7.9	-176.1	-51.4	-42	0	0	0	114.6	Y312	D309-Y312 WeakPolarHBondContact CA-O 3.24Å; D309-Y312 PolarHBondContact N-O 2.96Å
310	V	87.2	Confident	90.9	Very high	76 Å²	76	54.4 Å²	54.4	46%	0.461	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-57.1	173.8	-179.4	0	0	0	0	110.2	Q307 R308	Q307-V310 HydrophobicContact CB-CB 4.04Å; Q307-V310 HydrophobicContact CB-CG2 4.22Å; Q307-V310 PolarHBondContact O-N 3.46Å; R308-V310 PolarHBondContact O-N 2.81Å
311	D	90.2	Very high	90.6	Very high	14 Å²	14	55.3 Å²	55.3	8%	0.075	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-29.3	-179	-58.7	-65.8	0	0	0	112.5	L306 Q307 V322 Q324	L306-D311 WeakPolarHBondContact CA-OD2 3.48Å; L306-D311 HydrophobicContact CB-CB 4.45Å; L306-D311 HydrophobicContact CD2-CB 3.92Å; Q307-D311 PolarHBondContact N-OD2 3.49Å; Q307-D311 PolarHBondContact O-N 3.39Å; D311-V322 PolarHBondContact O-N 3.13Å; D311-Q324 PolarHBondContact OD1-NE2 2.81Å
312	Y	93.8	Very high	90.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.5	177.7	65.9	-87.6	0	0	0	111.1	L306 R308 D309 V314 V319 L320 I343 K346 E347	L306-Y312 HydrophobicContact CB-CD1 4.32Å; L306-Y312 HydrophobicContact CB-CE1 4.01Å; R308-Y312 CarbonylContact C-O 3.57Å; R308-Y312 HydrophobicContact CB-CE2 3.97Å; R308-Y312 HydrophobicContact CG-CE2 4.21Å; D309-Y312 WeakPolarHBondContact CA-O 3.24Å; D309-Y312 PolarHBondContact N-O 2.96Å; Y312-V314 HydrophobicContact CE2-CG2 4.43Å; Y312-V319 HydrophobicContact CD2-CG1 3.96Å; Y312-V319 HydrophobicContact CG-CG1 4.18Å; Y312-L320 CarbonylContact C-O 3.47Å; Y312-L320 WeakPolarHBondContact CA-O 3.27Å; Y312-L320 WeakPolarHBondContact CB-O 3.29Å; Y312-I343 HydrophobicContact CD1-CD1 4.15Å; Y312-I343 HydrophobicContact CD1-CG2 4.08Å; Y312-I343 HydrophobicContact CD2-CG2 3.64Å; Y312-I343 HydrophobicContact CE1-CD1 4.45Å; Y312-I343 HydrophobicContact CE1-CG1 4.45Å; Y312-I343 HydrophobicContact CE1-CG2 3.85Å; Y312-I343 HydrophobicContact CE2-CG2 3.4Å; Y312-I343 VanDerWaalsContact CE2-CG2 3.4Å; Y312-I343 HydrophobicContact CG-CG2 3.98Å; Y312-K346 WeakPolarHBondContact OH-CE 3.24Å; Y312-K346 PolarHBondContact OH-NZ 3.39Å; Y312-E347 HydrophobicContact CE2-CG 3.7Å; Y312-E347 WeakPolarHBondContact CE2-OE1 3.28Å; Y312-E347 PolarHBondContact OH-OE1 3.26Å
313	M	91.4	Very high	89.4	Confident	67 Å²	67	54.9 Å²	54.9	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.2	175.2	-172.7	169.3	69.9	0	0	109.8	V315 L320 V322 T329	M313-V315 HydrophobicContact CE-CG2 3.31Å; M313-V315 HydrophobicContact CG-CG2 3.95Å; M313-V315 HydrophobicContact SD-CG2 4.25Å; M313-L320 PolarHBondContact N-O 3.08Å; M313-L320 PolarHBondContact O-N 3.33Å; M313-V322 HydrophobicContact CB-CG2 4.08Å; M313-T329 HydrophobicContact CE-CG2 3.38Å
314	V	92.1	Very high	88.5	Confident	32 Å²	32	58.8 Å²	58.8	19%	0.194	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.7	175.9	-176.5	0	0	0	0	109.1	Y312 E318 V319 E347 V349	Y312-V314 HydrophobicContact CE2-CG2 4.43Å; V314-E318 WeakPolarHBondContact CA-O 3.42Å; V314-V319 HydrophobicContact CG2-CG2 4.43Å; V314-E347 HydrophobicContact CG2-CB 4.07Å; V314-E347 HydrophobicContact CG2-CG 3.79Å; V314-V349 HydrophobicContact CG1-CG1 3.85Å
315	V	89	Confident	87.3	Confident	49 Å²	49	66.8 Å²	66.8	30%	0.297	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.7	-179.6	-175.1	0	0	0	0	108.6	M313 G317 E318 L320	M313-V315 HydrophobicContact CE-CG2 3.31Å; M313-V315 HydrophobicContact CG-CG2 3.95Å; M313-V315 HydrophobicContact SD-CG2 4.25Å; V315-G317 PolarHBondContact O-N 2.99Å; V315-E318 PolarHBondContact N-O 2.71Å; V315-E318 PolarHBondContact O-N 2.71Å; V315-L320 HydrophobicContact CB-CD1 3.87Å; V315-L320 HydrophobicContact CG2-CD1 3.9Å
316	D	87.7	Confident	86.7	Confident	166 Å²	166	69.6 Å²	69.6	89%	0.888	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	27.3	178.5	-61.1	-33.2	0	0	0	115.2
317	G	87.3	Confident	85.9	Confident	43 Å²	43	71.4 Å²	71.4	44%	0.443	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	8.9	-178.4	0	0	0	0	0	114.6	V315 V349	V315-G317 PolarHBondContact O-N 2.99Å; G317-V349 WeakPolarHBondContact O-CB 3.32Å; G317-V349 WeakPolarHBondContact O-CG1 3.43Å
318	E	88.5	Confident	85.4	Confident	123 Å²	123	74.5 Å²	74.5	58%	0.575	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.8	175.6	-63.5	-175.9	170.3	0	0	111.1	V314 V315	V314-E318 WeakPolarHBondContact CA-O 3.42Å; V315-E318 PolarHBondContact N-O 2.71Å; V315-E318 PolarHBondContact O-N 2.71Å
319	V	91.3	Very high	84.8	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.03	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.8	173.2	175.9	0	0	0	0	108.6	Y312 V314 H340 I343 E344 V349	Y312-V319 HydrophobicContact CD2-CG1 3.96Å; Y312-V319 HydrophobicContact CG-CG1 4.18Å; V314-V319 HydrophobicContact CG2-CG2 4.43Å; V319-H340 PolarHBondContact O-CE1 3.17Å; V319-H340 PolarHBondContact O-NE2 3.28Å; V319-I343 HydrophobicContact CG1-CB 4.38Å; V319-I343 HydrophobicContact CG1-CG2 3.73Å; V319-I343 HydrophobicContact CG2-CG2 3.94Å; V319-E344 HydrophobicContact CB-CG 4.36Å; V319-E344 HydrophobicContact CG2-CG 3.84Å; V319-V349 HydrophobicContact CG2-CG2 3.9Å
320	L	88.7	Confident	84.1	Confident	27 Å²	27	67.6 Å²	67.6	14%	0.141	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.9	176.7	-58.4	-179	0	0	0	109.9	Y312 M313 V315 T329	Y312-L320 CarbonylContact C-O 3.47Å; Y312-L320 WeakPolarHBondContact CA-O 3.27Å; Y312-L320 WeakPolarHBondContact CB-O 3.29Å; M313-L320 PolarHBondContact N-O 3.08Å; M313-L320 PolarHBondContact O-N 3.33Å; V315-L320 HydrophobicContact CB-CD1 3.87Å; V315-L320 HydrophobicContact CG2-CD1 3.9Å; L320-T329 HydrophobicContact CB-CG2 4.27Å; L320-T329 HydrophobicContact CD1-CG2 4.26Å
321	I	88	Confident	83.4	Confident	20 Å²	20	68.8 Å²	68.8	10%	0.103	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.9	175.9	-58.2	-174.3	0	0	0	109.7	T329 M330 R333 F335	I321-T329 CarbonylContact O-C 3.54Å; I321-T329 WeakPolarHBondContact O-CA 3.38Å; I321-M330 PolarHBondContact O-N 3.1Å; I321-R333 HydrophobicContact CD1-CB 4.17Å; I321-F335 HydrophobicContact CB-CZ 4.48Å; I321-F335 HydrophobicContact CD1-CD1 3.95Å; I321-F335 HydrophobicContact CD1-CD2 3.75Å; I321-F335 HydrophobicContact CD1-CE1 4.04Å; I321-F335 HydrophobicContact CD1-CE2 3.84Å; I321-F335 HydrophobicContact CD1-CG 3.81Å; I321-F335 HydrophobicContact CD1-CZ 3.99Å; I321-F335 HydrophobicContact CG1-CD2 3.93Å; I321-F335 HydrophobicContact CG1-CE1 4.45Å; I321-F335 HydrophobicContact CG1-CE2 3.62Å; I321-F335 HydrophobicContact CG1-CG 4.47Å; I321-F335 HydrophobicContact CG1-CZ 3.91Å; I321-F335 HydrophobicContact CG2-CE1 4.34Å; I321-F335 HydrophobicContact CG2-CZ 3.99Å
322	V	84.3	Confident	82.4	Confident	19 Å²	19	72 Å²	72	12%	0.115	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.7	174.6	178.5	0	0	0	0	108.8	D311 M313 Q324	D311-V322 PolarHBondContact O-N 3.13Å; M313-V322 HydrophobicContact CB-CG2 4.08Å; V322-Q324 PolarHBondContact O-N 2.68Å
323	D	77	Confident	81.4	Confident	40 Å²	40	75.8 Å²	75.8	21%	0.214	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-66.5	116.7	170.2	174.8	-13.1	0	0	0	109.4	F325 T326 G327 R328 M330	D323-F325 PolarHBondContact O-N 3.48Å; D323-F325 WeakPolarHBondContact OD1-CB 3.31Å; D323-F325 PolarHBondContact OD1-N 3.35Å; D323-T326 WeakPolarHBondContact CB-OG1 3.36Å; D323-T326 PolarHBondContact O-N 3.46Å; D323-T326 PolarHBondContact OD1-N 2.84Å; D323-T326 WeakPolarHBondContact OD2-CG2 3.49Å; D323-T326 PolarHBondContact OD2-OG1 3.15Å; D323-G327 VanDerWaalsContact O-CA 3.27Å; D323-G327 WeakPolarHBondContact O-CA 3.41Å; D323-G327 PolarHBondContact O-N 3.11Å; D323-R328 PolarHBondContact N-O 3.12Å; D323-M330 HydrophobicContact CB-CG 4.23Å; D323-M330 HydrophobicContact CB-SD 4.02Å
324	Q	75.2	Confident	80.9	Confident	134 Å²	134	76.2 Å²	76.2	63%	0.626	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.1	-177.3	-68.1	-177.2	-3.8	0	0	113.8	D311 V322	D311-Q324 PolarHBondContact OD1-NE2 2.81Å; V322-Q324 PolarHBondContact O-N 2.68Å
325	F	66.9	Low	80.4	Confident	198 Å²	198	76.9 Å²	76.9	87%	0.868	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-38.4	178.9	-63.6	-78.4	0	0	0	112.4	D323	D323-F325 PolarHBondContact O-N 3.48Å; D323-F325 WeakPolarHBondContact OD1-CB 3.31Å; D323-F325 PolarHBondContact OD1-N 3.35Å
326	T	76.3	Confident	79.8	Confident	78 Å²	78	76.1 Å²	76.1	48%	0.479	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-14.5	-172.7	68.6	0	0	0	0	114.1	D323 R328	D323-T326 WeakPolarHBondContact CB-OG1 3.36Å; D323-T326 PolarHBondContact O-N 3.46Å; D323-T326 PolarHBondContact OD1-N 2.84Å; D323-T326 WeakPolarHBondContact OD2-CG2 3.49Å; D323-T326 PolarHBondContact OD2-OG1 3.15Å; T326-R328 PolarHBondContact O-N 2.79Å; T326-R328 WeakPolarHBondContact OG1-CB 3.36Å; T326-R328 PolarHBondContact OG1-N 3.03Å
327	G	76.7	Confident	79.2	Confident	56 Å²	56	71 Å²	71	58%	0.577	39%	0.388	S	S	*	.			trans	65.7	11.2	-172.6	0	0	0	0	0	113.7	D323	D323-G327 VanDerWaalsContact O-CA 3.27Å; D323-G327 WeakPolarHBondContact O-CA 3.41Å; D323-G327 PolarHBondContact O-N 3.11Å
328	R	79.1	Confident	78.9	Confident	187 Å²	187	68.9 Å²	68.9	71%	0.706	37%	0.367	S	S	*	.			trans	-88	140.5	-178	-66.3	-178.2	176.4	-175.3	-0.1	110.5	D323 T326	D323-R328 PolarHBondContact N-O 3.12Å; T326-R328 PolarHBondContact O-N 2.79Å; T326-R328 WeakPolarHBondContact OG1-CB 3.36Å; T326-R328 PolarHBondContact OG1-N 3.03Å
329	T	80.4	Confident	78.9	Confident	56 Å²	56	63.7 Å²	63.7	34%	0.344	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.8	168.8	52.3	0	0	0	0	110.7	M313 L320 I321 P331	M313-T329 HydrophobicContact CE-CG2 3.38Å; L320-T329 HydrophobicContact CB-CG2 4.27Å; L320-T329 HydrophobicContact CD1-CG2 4.26Å; I321-T329 CarbonylContact O-C 3.54Å; I321-T329 WeakPolarHBondContact O-CA 3.38Å; T329-P331 WeakPolarHBondContact O-CD 3.42Å
330	M	75.1	Confident	78.8	Confident	30 Å²	30	63.6 Å²	63.6	15%	0.148	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	82.1	179.2	-51	-166.2	84.1	0	0	110.1	I321 D323 G332 R333	I321-M330 PolarHBondContact O-N 3.1Å; D323-M330 HydrophobicContact CB-CG 4.23Å; D323-M330 HydrophobicContact CB-SD 4.02Å; M330-G332 PolarHBondContact O-N 3.37Å; M330-R333 HydrophobicContact CB-CB 4.08Å; M330-R333 HydrophobicContact CB-CG 4.08Å; M330-R333 VanDerWaalsContact CE-NE 3.32Å; M330-R333 VanDerWaalsContact CE-NH1 3.26Å; M330-R333 PolarHBondContact O-N 3.32Å; M330-R333 PolarHBondContact SD-NH1 3.02Å
331	P	72.5	Confident	78.9	Confident	101 Å²	101	62.6 Å²	62.6	66%	0.656	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	138.3	179.8	25.5	-33.6	0	0	0	111.1	T329 R333	T329-P331 WeakPolarHBondContact O-CD 3.42Å; P331-R333 VanDerWaalsContact C-N 3.29Å; P331-R333 PolarHBondContact O-N 3.28Å
332	G	69.3	Low	79.1	Confident	80 Å²	80	61.8 Å²	61.8	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-9	-178	0	0	0	0	0	115.4	M330	M330-G332 PolarHBondContact O-N 3.37Å
333	R	72.5	Confident	79.6	Confident	80 Å²	80	60.9 Å²	60.9	30%	0.302	33%	0.327	S	S	.	.			trans	-85.1	142	171.6	-73.8	-161.1	-179.7	-173.9	1	111.4	I321 M330 P331 G740	I321-R333 HydrophobicContact CD1-CB 4.17Å; M330-R333 HydrophobicContact CB-CB 4.08Å; M330-R333 HydrophobicContact CB-CG 4.08Å; M330-R333 VanDerWaalsContact CE-NE 3.32Å; M330-R333 VanDerWaalsContact CE-NH1 3.26Å; M330-R333 PolarHBondContact O-N 3.32Å; M330-R333 PolarHBondContact SD-NH1 3.02Å; P331-R333 VanDerWaalsContact C-N 3.29Å; P331-R333 PolarHBondContact O-N 3.28Å; R333-G740 PolarHBondContact NH2-O 3.43Å
334	R	80.2	Confident	80.4	Confident	76 Å²	76	59.2 Å²	59.2	29%	0.287	32%	0.318	S	S	.	.			trans	-124.6	157.7	174.6	-64.9	-167.1	135.8	-177.3	-8.3	110.3	H340 E344 Q352 Q736	R334-H340 HydrophobicContact CB-CB 4.2Å; R334-H340 PolarHBondContact NE-CD2 3.39Å; R334-E344 IonicContact CZ-OE1 3.42Å; R334-E344 IonicContact NH2-OE1 3.37Å; R334-E344 PolarHBondContact NH2-OE1 3.43Å; R334-Q352 VanDerWaalsContact NH2-CB 3.27Å; R334-Q352 VanDerWaalsContact NH2-CG 3.3Å; R334-Q736 PolarHBondContact O-OE1 3.44Å; R334-Q736 VanDerWaalsContact O-OE1 3.11Å
335	F	82.7	Confident	81.3	Confident	46 Å²	46	53.2 Å²	53.2	20%	0.202	29%	0.292	C	S	.	.			trans	-80.3	143.4	167	-66.1	-78	0	0	0	107.4	L306 I321 L339 H340 I343	L306-F335 HydrophobicContact CD1-CE2 4.27Å; L306-F335 HydrophobicContact CD1-CZ 4.26Å; I321-F335 HydrophobicContact CB-CZ 4.48Å; I321-F335 HydrophobicContact CD1-CD1 3.95Å; I321-F335 HydrophobicContact CD1-CD2 3.75Å; I321-F335 HydrophobicContact CD1-CE1 4.04Å; I321-F335 HydrophobicContact CD1-CE2 3.84Å; I321-F335 HydrophobicContact CD1-CG 3.81Å; I321-F335 HydrophobicContact CD1-CZ 3.99Å; I321-F335 HydrophobicContact CG1-CD2 3.93Å; I321-F335 HydrophobicContact CG1-CE1 4.45Å; I321-F335 HydrophobicContact CG1-CE2 3.62Å; I321-F335 HydrophobicContact CG1-CG 4.47Å; I321-F335 HydrophobicContact CG1-CZ 3.91Å; I321-F335 HydrophobicContact CG2-CE1 4.34Å; I321-F335 HydrophobicContact CG2-CZ 3.99Å; F335-L339 HydrophobicContact CB-CB 3.77Å; F335-L339 HydrophobicContact CB-CD2 4.03Å; F335-L339 HydrophobicContact CB-CG 4.07Å; F335-L339 HydrophobicContact CD1-CD2 4.19Å; F335-L339 HydrophobicContact CG-CD2 4.14Å; F335-L339 HydrophobicContact CG-CG 4.39Å; F335-H340 HydrophobicContact CB-CB 4.16Å; F335-H340 AromaticContact CD2-ND1 3.81Å; F335-H340 PolarHBondContact N-ND1 3.05Å; F335-I343 HydrophobicContact CD2-CD1 3.36Å; F335-I343 HydrophobicContact CE2-CD1 3.39Å; F335-I343 HydrophobicContact CG-CD1 4.4Å; F335-I343 HydrophobicContact CZ-CD1 4.44Å
336	S	76.7	Confident	82.6	Confident	33 Å²	33	45.5 Å²	45.5	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	177.4	176.9	49.3	0	0	0	0	112.3	G338 L339 T733	S336-G338 PolarHBondContact O-N 3.22Å; S336-G338 VanDerWaalsContact O-N 3.16Å; S336-L339 VanDerWaalsContact O-CB 3.28Å; S336-L339 WeakPolarHBondContact O-CB 3.33Å; S336-L339 PolarHBondContact O-N 3.28Å; S336-T733 VanDerWaalsContact CB-OG1 3.24Å; S336-T733 WeakPolarHBondContact CB-OG1 3.25Å
337	E	74.1	Confident	83.5	Confident	58 Å²	58	44.2 Å²	44.2	27%	0.271	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	28.5	174	-55.3	170	175	0	0	113.9	R301 L339 D729	R301-E337 IonicContact CZ-OE2 2.67Å; R301-E337 VanDerWaalsContact CZ-OE2 3.24Å; R301-E337 IonicContact NH1-OE2 3.03Å; R301-E337 PolarHBondContact NH1-OE2 2.87Å; R301-E337 IonicContact NH2-OE2 2.78Å; R301-E337 PolarHBondContact NH2-OE2 3.47Å; E337-L339 PolarHBondContact O-N 2.89Å; E337-D729 HydrophobicContact CG-CB 4.17Å
338	G	82	Confident	84.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	5.9	-177	0	0	0	0	0	115.5	Y240 S336 H340 Q341 A342	Y240-G338 VanDerWaalsContact CE1-O 3.3Å; Y240-G338 WeakPolarHBondContact CE1-O 3.32Å; Y240-G338 WeakPolarHBondContact OH-CA 3.38Å; S336-G338 PolarHBondContact O-N 3.22Å; S336-G338 VanDerWaalsContact O-N 3.16Å; G338-H340 VanDerWaalsContact C-N 3.25Å; G338-H340 PolarHBondContact O-N 2.86Å; G338-Q341 VanDerWaalsContact CA-OE1 3.27Å; G338-Q341 PolarHBondContact O-N 3.29Å; G338-Q341 PolarHBondContact O-OE1 3.35Å; G338-A342 PolarHBondContact O-N 3.49Å
339	L	88.3	Confident	84.8	Confident	13 Å²	13	37.1 Å²	37.1	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-34.1	-177.8	-175.3	60.1	0	0	0	111.8	T298 R301 A302 L306 F335 S336 E337 Q341 A342 I343	T298-L339 VanDerWaalsContact CG2-CA 3.47Å; T298-L339 HydrophobicContact CG2-CB 4.14Å; T298-L339 HydrophobicContact CG2-CD1 4.06Å; R301-L339 HydrophobicContact CB-CD1 4.26Å; R301-L339 HydrophobicContact CG-CD1 4.23Å; A302-L339 HydrophobicContact CB-CD1 3.9Å; L306-L339 HydrophobicContact CD1-CD1 4.1Å; L306-L339 HydrophobicContact CD1-CD2 3.69Å; L306-L339 HydrophobicContact CD1-CG 3.89Å; F335-L339 HydrophobicContact CB-CB 3.77Å; F335-L339 HydrophobicContact CB-CD2 4.03Å; F335-L339 HydrophobicContact CB-CG 4.07Å; F335-L339 HydrophobicContact CD1-CD2 4.19Å; F335-L339 HydrophobicContact CG-CD2 4.14Å; F335-L339 HydrophobicContact CG-CG 4.39Å; S336-L339 VanDerWaalsContact O-CB 3.28Å; S336-L339 WeakPolarHBondContact O-CB 3.33Å; S336-L339 PolarHBondContact O-N 3.28Å; E337-L339 PolarHBondContact O-N 2.89Å; L339-Q341 VanDerWaalsContact C-N 3.35Å; L339-Q341 PolarHBondContact O-N 3.41Å; L339-A342 PolarHBondContact O-N 3.22Å; L339-I343 HydrophobicContact CG-CD1 4.46Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 2.92Å
340	H	89.5	Confident	85.1	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177.2	-157.6	86.7	0	0	0	111.3	V319 R334 F335 G338 A342 I343 E344	V319-H340 PolarHBondContact O-CE1 3.17Å; V319-H340 PolarHBondContact O-NE2 3.28Å; R334-H340 HydrophobicContact CB-CB 4.2Å; R334-H340 PolarHBondContact NE-CD2 3.39Å; F335-H340 HydrophobicContact CB-CB 4.16Å; F335-H340 AromaticContact CD2-ND1 3.81Å; F335-H340 PolarHBondContact N-ND1 3.05Å; G338-H340 VanDerWaalsContact C-N 3.25Å; G338-H340 PolarHBondContact O-N 2.86Å; H340-A342 VanDerWaalsContact C-N 3.34Å; H340-A342 PolarHBondContact O-N 2.89Å; H340-I343 WeakPolarHBondContact O-CB 3.48Å; H340-I343 PolarHBondContact O-N 3.23Å; H340-E344 IonicContact CD2-OE1 3.59Å; H340-E344 PolarHBondContact CD2-OE1 3.04Å; H340-E344 VanDerWaalsContact CD2-OE1 3.29Å; H340-E344 IonicContact NE2-OE1 2.66Å; H340-E344 WeakPolarHBondContact O-CG 3.42Å; H340-E344 PolarHBondContact O-N 2.84Å
341	Q	89.4	Confident	85.7	Confident	6 Å²	6	41 Å²	41	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-36.2	176.4	-69.8	79.2	-2.6	0	0	111.6	Y240 G338 L339 I343 E344 A345 I351 Q352	Y240-Q341 HydrophobicContact CD1-CB 3.92Å; Y240-Q341 HydrophobicContact CD2-CB 4.07Å; Y240-Q341 HydrophobicContact CE1-CB 3.65Å; Y240-Q341 HydrophobicContact CE2-CB 3.79Å; Y240-Q341 HydrophobicContact CE2-CG 4.25Å; Y240-Q341 HydrophobicContact CG-CB 4.13Å; G338-Q341 VanDerWaalsContact CA-OE1 3.27Å; G338-Q341 PolarHBondContact O-N 3.29Å; G338-Q341 PolarHBondContact O-OE1 3.35Å; L339-Q341 VanDerWaalsContact C-N 3.35Å; L339-Q341 PolarHBondContact O-N 3.41Å; Q341-I343 VanDerWaalsContact C-N 3.35Å; Q341-E344 WeakPolarHBondContact O-CB 3.45Å; Q341-E344 PolarHBondContact O-N 2.9Å; Q341-A345 WeakPolarHBondContact O-CB 3.29Å; Q341-A345 PolarHBondContact O-N 3.36Å; Q341-I351 HydrophobicContact CB-CG2 3.88Å; Q341-I351 HydrophobicContact CG-CG2 3.9Å; Q341-Q352 WeakPolarHBondContact CG-O 3.33Å
342	A	92.5	Very high	86	Confident	3 Å²	3	39.8 Å²	39.8	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-37	172.9	0	0	0	0	0	112.2	Y240 T298 A302 G338 L339 H340 A345 K346	Y240-A342 HydrophobicContact CD1-CB 4.23Å; Y240-A342 HydrophobicContact CE1-CB 4.35Å; T298-A342 HydrophobicContact CG2-CB 3.75Å; A302-A342 HydrophobicContact CB-CB 3.89Å; G338-A342 PolarHBondContact O-N 3.49Å; L339-A342 PolarHBondContact O-N 3.22Å; H340-A342 VanDerWaalsContact C-N 3.34Å; H340-A342 PolarHBondContact O-N 2.89Å; A342-A345 PolarHBondContact O-N 3.31Å; A342-K346 VanDerWaalsContact O-CB 3.29Å; A342-K346 WeakPolarHBondContact O-CB 3.4Å; A342-K346 PolarHBondContact O-N 2.87Å
343	I	94.2	Very high	86	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-42.4	171.3	-60.3	162	0	0	0	110.5	A302 L306 Y312 V319 F335 L339 H340 Q341 A345 K346 E347	A302-I343 HydrophobicContact CB-CG1 4.03Å; L306-I343 HydrophobicContact CD1-CD1 3.45Å; L306-I343 VanDerWaalsContact CD1-CD1 3.45Å; L306-I343 HydrophobicContact CD1-CG1 4.01Å; Y312-I343 HydrophobicContact CD1-CD1 4.15Å; Y312-I343 HydrophobicContact CD1-CG2 4.08Å; Y312-I343 HydrophobicContact CD2-CG2 3.64Å; Y312-I343 HydrophobicContact CE1-CD1 4.45Å; Y312-I343 HydrophobicContact CE1-CG1 4.45Å; Y312-I343 HydrophobicContact CE1-CG2 3.85Å; Y312-I343 HydrophobicContact CE2-CG2 3.4Å; Y312-I343 VanDerWaalsContact CE2-CG2 3.4Å; Y312-I343 HydrophobicContact CG-CG2 3.98Å; V319-I343 HydrophobicContact CG1-CB 4.38Å; V319-I343 HydrophobicContact CG1-CG2 3.73Å; V319-I343 HydrophobicContact CG2-CG2 3.94Å; F335-I343 HydrophobicContact CD2-CD1 3.36Å; F335-I343 HydrophobicContact CE2-CD1 3.39Å; F335-I343 HydrophobicContact CG-CD1 4.4Å; F335-I343 HydrophobicContact CZ-CD1 4.44Å; L339-I343 HydrophobicContact CG-CD1 4.46Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 2.92Å; H340-I343 WeakPolarHBondContact O-CB 3.48Å; H340-I343 PolarHBondContact O-N 3.23Å; Q341-I343 VanDerWaalsContact C-N 3.35Å; I343-A345 VanDerWaalsContact C-N 3.26Å; I343-A345 PolarHBondContact O-N 2.85Å; I343-K346 WeakPolarHBondContact O-CB 3.42Å; I343-K346 PolarHBondContact O-N 3.39Å; I343-K346 VanDerWaalsContact O-N 3.11Å; I343-E347 HydrophobicContact CG2-CG 4.11Å; I343-E347 WeakPolarHBondContact O-CB 3.46Å; I343-E347 WeakPolarHBondContact O-CG 3.17Å; I343-E347 PolarHBondContact O-N 3.45Å
344	E	94.2	Very high	85.7	Confident	5 Å²	5	38.9 Å²	38.9	2%	0.023	21%	0.207	C	C	.	.	H	α-helix	trans	-56.6	-44.1	175	-73.2	172.4	168.6	0	0	110.4	V319 R334 H340 Q341 G348 V349 I351 Q352	V319-E344 HydrophobicContact CB-CG 4.36Å; V319-E344 HydrophobicContact CG2-CG 3.84Å; R334-E344 IonicContact CZ-OE1 3.42Å; R334-E344 IonicContact NH2-OE1 3.37Å; R334-E344 PolarHBondContact NH2-OE1 3.43Å; H340-E344 IonicContact CD2-OE1 3.59Å; H340-E344 PolarHBondContact CD2-OE1 3.04Å; H340-E344 VanDerWaalsContact CD2-OE1 3.29Å; H340-E344 IonicContact NE2-OE1 2.66Å; H340-E344 WeakPolarHBondContact O-CG 3.42Å; H340-E344 PolarHBondContact O-N 2.84Å; Q341-E344 WeakPolarHBondContact O-CB 3.45Å; Q341-E344 PolarHBondContact O-N 2.9Å; E344-G348 PolarHBondContact O-N 3.23Å; E344-V349 VanDerWaalsContact CA-CG2 3.44Å; E344-V349 HydrophobicContact CB-CG2 3.64Å; E344-V349 HydrophobicContact CG-CG2 3.75Å; E344-V349 WeakPolarHBondContact O-CG2 3.37Å; E344-V349 PolarHBondContact O-N 2.84Å; E344-I351 HydrophobicContact CB-CG1 4.26Å; E344-I351 WeakPolarHBondContact OE2-CA 3.18Å; E344-Q352 PolarHBondContact OE2-N 3.38Å
345	A	93.7	Very high	84.9	Confident	8 Å²	8	39.8 Å²	39.8	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-42.6	173.7	0	0	0	0	0	112.6	N244 Q341 A342 I343 E347 G348 I351	N244-A345 HydrophobicContact CB-CB 3.98Å; N244-A345 PolarHBondContact ND2-O 3.18Å; Q341-A345 WeakPolarHBondContact O-CB 3.29Å; Q341-A345 PolarHBondContact O-N 3.36Å; A342-A345 PolarHBondContact O-N 3.31Å; I343-A345 VanDerWaalsContact C-N 3.26Å; I343-A345 PolarHBondContact O-N 2.85Å; A345-E347 PolarHBondContact O-N 3Å; A345-G348 PolarHBondContact O-N 3Å; A345-I351 HydrophobicContact CB-CD1 3.8Å; A345-I351 HydrophobicContact CB-CG1 4.28Å
346	K	95.5	Very high	84.4	Confident	36 Å²	36	39 Å²	39	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-47.6	177	172.2	-178.3	178.9	-166.7	0	111.6	N244 A302 L306 Y312 A342 I343 G348	N244-K346 WeakPolarHBondContact OD1-CA 3.25Å; A302-K346 WeakPolarHBondContact O-CD 3.11Å; A302-K346 PolarHBondContact O-NZ 3.28Å; L306-K346 PolarHBondContact O-NZ 2.88Å; Y312-K346 WeakPolarHBondContact OH-CE 3.24Å; Y312-K346 PolarHBondContact OH-NZ 3.39Å; A342-K346 VanDerWaalsContact O-CB 3.29Å; A342-K346 WeakPolarHBondContact O-CB 3.4Å; A342-K346 PolarHBondContact O-N 2.87Å; I343-K346 WeakPolarHBondContact O-CB 3.42Å; I343-K346 PolarHBondContact O-N 3.39Å; I343-K346 VanDerWaalsContact O-N 3.11Å; K346-G348 VanDerWaalsContact C-N 3.34Å
347	E	94.8	Very high	84.5	Confident	50 Å²	50	38.5 Å²	38.5	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-83.1	-9.7	-178.6	-62	-60.4	143.8	0	0	113.4	R308 Y312 V314 I343 A345	R308-E347 IonicContact CZ-OE2 2.67Å; R308-E347 IonicContact NH1-OE2 2.86Å; R308-E347 PolarHBondContact NH1-OE2 3.38Å; Y312-E347 HydrophobicContact CE2-CG 3.7Å; Y312-E347 WeakPolarHBondContact CE2-OE1 3.28Å; Y312-E347 PolarHBondContact OH-OE1 3.26Å; V314-E347 HydrophobicContact CG2-CB 4.07Å; V314-E347 HydrophobicContact CG2-CG 3.79Å; I343-E347 HydrophobicContact CG2-CG 4.11Å; I343-E347 WeakPolarHBondContact O-CB 3.46Å; I343-E347 WeakPolarHBondContact O-CG 3.17Å; I343-E347 PolarHBondContact O-N 3.45Å; A345-E347 PolarHBondContact O-N 3Å
348	G	91	Very high	84.7	Confident	67 Å²	67	38.5 Å²	38.5	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	28.3	178.1	0	0	0	0	0	113.8	E344 A345 K346	E344-G348 PolarHBondContact O-N 3.23Å; A345-G348 PolarHBondContact O-N 3Å; K346-G348 VanDerWaalsContact C-N 3.34Å
349	V	91.8	Very high	84.9	Confident	27 Å²	27	38.5 Å²	38.5	16%	0.164	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-90.7	171	172	-62.5	0	0	0	0	111	V314 G317 V319 E344 I351	V314-V349 HydrophobicContact CG1-CG1 3.85Å; G317-V349 WeakPolarHBondContact O-CB 3.32Å; G317-V349 WeakPolarHBondContact O-CG1 3.43Å; V319-V349 HydrophobicContact CG2-CG2 3.9Å; E344-V349 VanDerWaalsContact CA-CG2 3.44Å; E344-V349 HydrophobicContact CB-CG2 3.64Å; E344-V349 HydrophobicContact CG-CG2 3.75Å; E344-V349 WeakPolarHBondContact O-CG2 3.37Å; E344-V349 PolarHBondContact O-N 2.84Å; V349-I351 PolarHBondContact O-N 3.1Å; V349-I351 VanDerWaalsContact O-N 3.11Å
350	Q	87.4	Confident	84.9	Confident	144 Å²	144	39 Å²	39	67%	0.673	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-63.5	116.2	179.7	-178.6	177.4	1.9	0	0	110.1	Q352	Q350-Q352 PolarHBondContact O-N 3.22Å
351	I	87.1	Confident	84.9	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.128	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.8	117.2	173.5	-54.9	168.5	0	0	0	107.8	T237 Y240 Q341 E344 A345 V349	T237-I351 HydrophobicContact CG2-CB 4.09Å; T237-I351 HydrophobicContact CG2-CG2 4Å; Y240-I351 HydrophobicContact CD2-CG2 4.39Å; Q341-I351 HydrophobicContact CB-CG2 3.88Å; Q341-I351 HydrophobicContact CG-CG2 3.9Å; E344-I351 HydrophobicContact CB-CG1 4.26Å; E344-I351 WeakPolarHBondContact OE2-CA 3.18Å; A345-I351 HydrophobicContact CB-CD1 3.8Å; A345-I351 HydrophobicContact CB-CG1 4.28Å; V349-I351 PolarHBondContact O-N 3.1Å; V349-I351 VanDerWaalsContact O-N 3.11Å
352	Q	78.5	Confident	84.9	Confident	74 Å²	74	39.3 Å²	39.3	35%	0.346	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-86.3	138.7	175.8	-59.6	-68.8	-22.3	0	0	109.6	R334 Q341 E344 Q350 E354	R334-Q352 VanDerWaalsContact NH2-CB 3.27Å; R334-Q352 VanDerWaalsContact NH2-CG 3.3Å; Q341-Q352 WeakPolarHBondContact CG-O 3.33Å; E344-Q352 PolarHBondContact OE2-N 3.38Å; Q350-Q352 PolarHBondContact O-N 3.22Å; Q352-E354 PolarHBondContact O-N 3.33Å
353	N	70.6	Confident	84.7	Confident	114 Å²	114	39.2 Å²	39.2	61%	0.61	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-61.4	136.3	173.9	-68.6	-8.6	0	0	0	110.1
354	E	64.5	Low	84.4	Confident	27 Å²	27	39.3 Å²	39.3	13%	0.126	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.1	123.8	170.8	-170.1	166.1	-137.8	0	0	108	A233 K235 Q352 K356	A233-E354 HydrophobicContact CB-CB 3.9Å; A233-E354 WeakPolarHBondContact CB-O 3.5Å; K235-E354 IonicContact NZ-OE2 3.72Å; K235-E354 PolarHBondContact NZ-OE2 3.33Å; K235-E354 VanDerWaalsContact NZ-OE2 3.11Å; Q352-E354 PolarHBondContact O-N 3.33Å; E354-K356 HydrophobicContact CG-CB 4.42Å
355	S	65.1	Low	84.2	Confident	96 Å²	96	39.5 Å²	39.5	67%	0.671	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	107.5	157.2	60.8	0	0	0	0	106
356	K	70.7	Confident	84.2	Confident	28 Å²	28	39.1 Å²	39.1	12%	0.122	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.5	-178.8	-150.7	-175.8	-171.6	-174	0	110.1	S230 G231 E354 M358 S725 T728 D729 D732	S230-K356 WeakPolarHBondContact CA-O 3.22Å; G231-K356 PolarHBondContact N-O 3.42Å; E354-K356 HydrophobicContact CG-CB 4.42Å; K356-M358 PolarHBondContact O-N 2.96Å; K356-S725 PolarHBondContact NZ-O 3.27Å; K356-T728 HydrophobicContact CD-CG2 3.4Å; K356-T728 VanDerWaalsContact CD-CG2 3.4Å; K356-T728 HydrophobicContact CG-CG2 3.61Å; K356-D729 VanDerWaalsContact CE-CG 3.47Å; K356-D729 WeakPolarHBondContact CE-OD1 3.43Å; K356-D729 IonicContact NZ-OD1 2.74Å; K356-D729 PolarHBondContact NZ-OD1 2.98Å; K356-D729 IonicContact NZ-OD2 3.95Å; K356-D729 PolarHBondContact NZ-OD2 3.38Å; K356-D732 WeakPolarHBondContact CA-OD2 3.26Å; K356-D732 WeakPolarHBondContact CG-OD2 3.17Å
357	T	79.6	Confident	84.2	Confident	24 Å²	24	37.4 Å²	37.4	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	89.1	175.4	-49.9	0	0	0	0	109.3	I228 A359 T728 I731 D732	I228-T357 HydrophobicContact CG1-CG2 4.45Å; I228-T357 HydrophobicContact CG2-CG2 3.6Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 3.21Å; T357-T728 WeakPolarHBondContact O-CG2 3.41Å; T357-I731 HydrophobicContact CG2-CG2 3.93Å; T357-D732 WeakPolarHBondContact CB-OD1 3.46Å; T357-D732 PolarHBondContact N-OD1 3.05Å; T357-D732 VanDerWaalsContact N-OD1 3.1Å; T357-D732 PolarHBondContact N-OD2 2.89Å; T357-D732 VanDerWaalsContact N-OD2 3.12Å; T357-D732 PolarHBondContact OG1-OD1 2.94Å
358	M	78.5	Confident	84.1	Confident	57 Å²	57	39.6 Å²	39.6	28%	0.281	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	-45.2	179.1	-60.8	-57.5	-60.8	0	0	112.5	M195 I229 K356 T728	M195-M358 HydrophobicContact CE-CB 3.62Å; M195-M358 HydrophobicContact CE-CE 4.24Å; M195-M358 HydrophobicContact CE-CG 4.27Å; M195-M358 HydrophobicContact SD-CB 4.44Å; I229-M358 HydrophobicContact CG2-CB 4.25Å; I229-M358 PolarHBondContact O-N 3.34Å; K356-M358 PolarHBondContact O-N 2.96Å; M358-T728 HydrophobicContact CE-CG2 4.42Å; M358-T728 HydrophobicContact SD-CG2 3.81Å
359	A	86.4	Confident	84.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	147.1	-179.7	0	0	0	0	0	111	L191 M195 I228 I229 T357	L191-A359 HydrophobicContact CB-CB 4.27Å; L191-A359 HydrophobicContact CD1-CB 4.41Å; L191-A359 HydrophobicContact CD2-CB 3.97Å; L191-A359 HydrophobicContact CG-CB 4.44Å; M195-A359 HydrophobicContact SD-CB 3.83Å; I228-A359 WeakPolarHBondContact CA-O 3.26Å; I229-A359 HydrophobicContact CB-CB 4.41Å; I229-A359 PolarHBondContact N-O 3.35Å; I229-A359 PolarHBondContact O-N 2.97Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 3.21Å
360	S	87.9	Confident	84.4	Confident	23 Å²	23	39.8 Å²	39.8	16%	0.161	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139	-179.8	177.3	0	0	0	0	111.9	L227 R613	L227-S360 CarbonylContact O-C 3.55Å; L227-S360 WeakPolarHBondContact O-CA 3.43Å; S360-R613 PolarHBondContact O-NE 2.91Å; S360-R613 PolarHBondContact O-NH1 3.28Å; S360-R613 PolarHBondContact O-NH2 3.23Å
361	I	90	Very high	84.8	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	141.7	172	-167.5	163.7	0	0	0	110.8	Y190 L191 P226 L227 N365 Y366 M369	Y190-I361 HydrophobicContact CD1-CD1 3.99Å; Y190-I361 HydrophobicContact CE1-CD1 3.53Å; L191-I361 HydrophobicContact CD1-CG2 4.06Å; L191-I361 HydrophobicContact CD2-CB 3.94Å; L191-I361 HydrophobicContact CD2-CG2 3.65Å; L191-I361 HydrophobicContact CG-CG2 3.87Å; P226-I361 WeakPolarHBondContact CA-O 3.37Å; L227-I361 HydrophobicContact CB-CG2 4.25Å; L227-I361 HydrophobicContact CD1-CG2 4.25Å; L227-I361 PolarHBondContact N-O 3.44Å; L227-I361 PolarHBondContact O-N 2.99Å; I361-N365 HydrophobicContact CG1-CB 4.27Å; I361-Y366 HydrophobicContact CD1-CD2 4.32Å; I361-M369 HydrophobicContact CD1-SD 4.44Å
362	T	88.5	Confident	85.2	Confident	8 Å²	8	39.3 Å²	39.3	5%	0.049	20%	0.203	C	C	.	.			trans	-84.8	148.9	169.8	58.2	0	0	0	0	111.2	P226 Q364 N365 Y366 D606	P226-T362 HydrophobicContact CB-CG2 4.04Å; T362-Q364 PolarHBondContact O-N 3.15Å; T362-N365 PolarHBondContact O-N 3.1Å; T362-N365 VanDerWaalsContact O-N 3.09Å; T362-N365 PolarHBondContact OG1-N 3.09Å; T362-N365 PolarHBondContact OG1-ND2 3.33Å; T362-Y366 PolarHBondContact O-N 3.07Å; T362-D606 WeakPolarHBondContact CG2-OD2 3.29Å
363	F	88.9	Confident	86.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-37.5	173.7	-72.6	-53.1	0	0	0	112.7	N183 N184 E222 L227 N365 Y366 F367 H802	N183-F363 HydrophobicContact CB-CD1 4.47Å; N183-F363 HydrophobicContact CB-CE1 3.98Å; N183-F363 HydrophobicContact CB-CZ 4.38Å; N183-F363 WeakPolarHBondContact ND2-CE2 3.33Å; N183-F363 WeakPolarHBondContact ND2-CZ 3.43Å; N183-F363 WeakPolarHBondContact O-CE1 3.4Å; N184-F363 WeakPolarHBondContact OD1-CZ 3.41Å; E222-F363 HydrophobicContact CB-CD2 3.99Å; E222-F363 HydrophobicContact CB-CE2 3.96Å; E222-F363 WeakPolarHBondContact O-CD2 3.28Å; L227-F363 HydrophobicContact CD1-CD1 4.12Å; L227-F363 HydrophobicContact CD1-CE1 3.53Å; L227-F363 HydrophobicContact CD1-CZ 4.04Å; L227-F363 HydrophobicContact CD2-CE1 4.23Å; L227-F363 HydrophobicContact CD2-CZ 3.92Å; L227-F363 HydrophobicContact CG-CE1 3.95Å; L227-F363 HydrophobicContact CG-CZ 3.95Å; F363-N365 PolarHBondContact O-N 3.24Å; F363-Y366 PolarHBondContact O-N 2.98Å; F363-F367 HydrophobicContact CB-CD2 4.04Å; F363-F367 HydrophobicContact CB-CE2 4.15Å; F363-F367 HydrophobicContact CD1-CD2 4.37Å; F363-F367 AromaticContact CD1-CE2 3.76Å; F363-F367 HydrophobicContact CD1-CE2 3.76Å; F363-F367 HydrophobicContact CG-CE2 4.26Å; F363-F367 WeakPolarHBondContact O-CB 3.27Å; F363-F367 VanDerWaalsContact O-CD2 3.22Å; F363-F367 WeakPolarHBondContact O-CD2 3.36Å; F363-F367 PolarHBondContact O-N 3.38Å; F363-H802 AromaticContact CE2-NE2 3.55Å
364	Q	88.4	Confident	87.4	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-53.9	-52.8	174.4	-80	174.4	-13.8	0	0	111.7	A223 T362 R368 I390 Y391 L603	A223-Q364 HydrophobicContact CB-CG 3.84Å; T362-Q364 PolarHBondContact O-N 3.15Å; Q364-R368 WeakPolarHBondContact O-CB 3.47Å; Q364-R368 VanDerWaalsContact O-CD 3.3Å; Q364-R368 WeakPolarHBondContact O-CD 3.46Å; Q364-R368 WeakPolarHBondContact O-CG 3.46Å; Q364-R368 PolarHBondContact O-N 2.96Å; Q364-I390 HydrophobicContact CG-CG2 4.21Å; Q364-Y391 WeakPolarHBondContact CA-OH 3.5Å; Q364-Y391 WeakPolarHBondContact CG-OH 3.21Å; Q364-L603 HydrophobicContact CB-CD1 4.09Å
365	N	89.4	Confident	89	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.048	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-39.5	-178.8	-75.1	-27.7	0	0	0	112.2	I361 T362 F363 R368 M369 R610	I361-N365 HydrophobicContact CG1-CB 4.27Å; T362-N365 PolarHBondContact O-N 3.1Å; T362-N365 VanDerWaalsContact O-N 3.09Å; T362-N365 PolarHBondContact OG1-N 3.09Å; T362-N365 PolarHBondContact OG1-ND2 3.33Å; F363-N365 PolarHBondContact O-N 3.24Å; N365-R368 PolarHBondContact OD1-NH1 3.16Å; N365-M369 WeakPolarHBondContact O-CG 3.41Å; N365-R610 HydrophobicContact CB-CG 4.29Å; N365-R610 WeakPolarHBondContact OD1-CD 3.38Å
366	Y	93.6	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-52.7	177.4	175.8	-109.9	0	0	0	112	L186 Y190 L207 I361 T362 F363 R368 M369 Y370	L186-Y366 HydrophobicContact CB-CE1 3.95Å; Y190-Y366 HydrophobicContact CD1-CD2 4.02Å; Y190-Y366 HydrophobicContact CD1-CE2 4.31Å; Y190-Y366 HydrophobicContact CD2-CD2 4.45Å; Y190-Y366 HydrophobicContact CD2-CE2 4.12Å; Y190-Y366 AromaticContact CG-CD2 3.9Å; Y190-Y366 HydrophobicContact CG-CD2 3.9Å; Y190-Y366 AromaticContact CG-CE2 3.72Å; Y190-Y366 HydrophobicContact CG-CE2 3.72Å; L207-Y366 HydrophobicContact CD1-CE2 4.05Å; I361-Y366 HydrophobicContact CD1-CD2 4.32Å; T362-Y366 PolarHBondContact O-N 3.07Å; F363-Y366 PolarHBondContact O-N 2.98Å; Y366-R368 VanDerWaalsContact C-N 3.3Å; Y366-R368 PolarHBondContact O-N 2.97Å; Y366-M369 VanDerWaalsContact O-CB 3.31Å; Y366-M369 WeakPolarHBondContact O-CB 3.46Å; Y366-M369 PolarHBondContact O-N 2.91Å; Y366-M369 VanDerWaalsContact O-N 3.09Å; Y366-Y370 AromaticContact CE1-CE2 3.95Å; Y366-Y370 HydrophobicContact CE1-CE2 3.95Å; Y366-Y370 AromaticContact CZ-CE2 3.95Å; Y366-Y370 PolarHBondContact OH-OH 2.81Å; Y366-Y370 VanDerWaalsContact OH-OH 3.07Å
367	F	94.9	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.3	-25.4	-175.7	-76.9	-60.8	0	0	0	113.9	I133 N183 I212 I218 L219 F363 M369 Y370 L373 Y391	I133-F367 HydrophobicContact CD1-CD1 4.43Å; I133-F367 HydrophobicContact CD1-CE1 3.42Å; I133-F367 VanDerWaalsContact CD1-CE1 3.42Å; I133-F367 HydrophobicContact CD1-CZ 4Å; N183-F367 HydrophobicContact CB-CE2 4.13Å; N183-F367 HydrophobicContact CB-CZ 3.86Å; I212-F367 HydrophobicContact CD1-CD1 3.89Å; I212-F367 HydrophobicContact CD1-CD2 4.38Å; I212-F367 HydrophobicContact CD1-CE1 3.87Å; I212-F367 HydrophobicContact CD1-CE2 4.32Å; I212-F367 HydrophobicContact CD1-CG 4.17Å; I212-F367 HydrophobicContact CD1-CZ 4.07Å; I212-F367 HydrophobicContact CG1-CE1 4.46Å; I218-F367 HydrophobicContact CG2-CD2 4.45Å; I218-F367 HydrophobicContact CG2-CE2 3.63Å; I218-F367 HydrophobicContact CG2-CZ 4.14Å; L219-F367 HydrophobicContact CD2-CB 3.94Å; L219-F367 HydrophobicContact CD2-CD2 3.32Å; L219-F367 HydrophobicContact CD2-CE2 3.99Å; L219-F367 HydrophobicContact CD2-CG 3.74Å; F363-F367 HydrophobicContact CB-CD2 4.04Å; F363-F367 HydrophobicContact CB-CE2 4.15Å; F363-F367 HydrophobicContact CD1-CD2 4.37Å; F363-F367 AromaticContact CD1-CE2 3.76Å; F363-F367 HydrophobicContact CD1-CE2 3.76Å; F363-F367 HydrophobicContact CG-CE2 4.26Å; F363-F367 WeakPolarHBondContact O-CB 3.27Å; F363-F367 VanDerWaalsContact O-CD2 3.22Å; F363-F367 WeakPolarHBondContact O-CD2 3.36Å; F363-F367 PolarHBondContact O-N 3.38Å; F367-M369 PolarHBondContact O-N 3.45Å; F367-Y370 HydrophobicContact CD1-CD2 4.12Å; F367-Y370 AromaticContact CD1-CE2 3.89Å; F367-Y370 HydrophobicContact CD1-CE2 3.89Å; F367-Y370 HydrophobicContact CE1-CE2 4.23Å; F367-Y370 PolarHBondContact O-N 3.24Å; F367-L373 HydrophobicContact CB-CD1 4.48Å; F367-L373 HydrophobicContact CB-CD2 3.86Å; F367-L373 HydrophobicContact CD1-CD1 4.02Å; F367-Y391 HydrophobicContact CB-CE1 4.23Å
368	R	92.4	Very high	91.9	Very high	96 Å²	96	23.2 Å²	23.2	36%	0.362	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.5	172.1	-76.5	171.3	68.7	-160.8	5.8	113.5	Q364 N365 Y366 Y370 I390 Y391	Q364-R368 WeakPolarHBondContact O-CB 3.47Å; Q364-R368 VanDerWaalsContact O-CD 3.3Å; Q364-R368 WeakPolarHBondContact O-CD 3.46Å; Q364-R368 WeakPolarHBondContact O-CG 3.46Å; Q364-R368 PolarHBondContact O-N 2.96Å; N365-R368 PolarHBondContact OD1-NH1 3.16Å; Y366-R368 VanDerWaalsContact C-N 3.3Å; Y366-R368 PolarHBondContact O-N 2.97Å; R368-Y370 VanDerWaalsContact C-N 3.31Å; R368-I390 WeakPolarHBondContact CD-O 3.29Å; R368-Y391 HydrophobicContact CG-CD1 3.95Å; R368-Y391 HydrophobicContact CG-CE1 4.32Å
369	M	93.4	Very high	92.3	Very high	84 Å²	84	21.4 Å²	21.4	41%	0.414	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.8	179	-61.8	176	59.7	0	0	113.5	Y190 L207 I361 N365 Y366 F367	Y190-M369 HydrophobicContact CE2-CE 3.56Å; Y190-M369 HydrophobicContact CE2-SD 4.13Å; Y190-M369 WeakPolarHBondContact OH-CE 3.34Å; L207-M369 HydrophobicContact CD1-CB 3.81Å; I361-M369 HydrophobicContact CD1-SD 4.44Å; N365-M369 WeakPolarHBondContact O-CG 3.41Å; Y366-M369 VanDerWaalsContact O-CB 3.31Å; Y366-M369 WeakPolarHBondContact O-CB 3.46Å; Y366-M369 PolarHBondContact O-N 2.91Å; Y366-M369 VanDerWaalsContact O-N 3.09Å; F367-M369 PolarHBondContact O-N 3.45Å
370	Y	96.8	Very high	92.4	Very high	14 Å²	14	21.4 Å²	21.4	6%	0.055	11%	0.107	C	C	.	.	S	Bend	trans	-70.2	134.8	176.1	-81	-97.4	0	0	0	111.5	H131 L207 A210 Y366 F367 R368 K372	H131-Y370 AromaticContact ND1-CE1 3.64Å; H131-Y370 AromaticContact ND1-CZ 3.64Å; H131-Y370 PolarHBondContact ND1-OH 3.5Å; L207-Y370 HydrophobicContact CB-CD1 3.88Å; L207-Y370 HydrophobicContact CB-CD2 4.27Å; L207-Y370 HydrophobicContact CB-CE1 4.01Å; L207-Y370 HydrophobicContact CB-CE2 4.4Å; L207-Y370 HydrophobicContact CB-CG 4.02Å; L207-Y370 HydrophobicContact CD1-CD2 4.2Å; L207-Y370 HydrophobicContact CD1-CE2 4.05Å; L207-Y370 HydrophobicContact CD2-CE1 4.11Å; L207-Y370 HydrophobicContact CD2-CE2 4.2Å; L207-Y370 HydrophobicContact CG-CE2 4.45Å; A210-Y370 HydrophobicContact CB-CD1 3.61Å; A210-Y370 HydrophobicContact CB-CE1 3.44Å; A210-Y370 VanDerWaalsContact CB-CE1 3.44Å; A210-Y370 HydrophobicContact CB-CE2 4.39Å; A210-Y370 HydrophobicContact CB-CG 4.15Å; Y366-Y370 AromaticContact CE1-CE2 3.95Å; Y366-Y370 HydrophobicContact CE1-CE2 3.95Å; Y366-Y370 AromaticContact CZ-CE2 3.95Å; Y366-Y370 PolarHBondContact OH-OH 2.81Å; Y366-Y370 VanDerWaalsContact OH-OH 3.07Å; F367-Y370 HydrophobicContact CD1-CD2 4.12Å; F367-Y370 AromaticContact CD1-CE2 3.89Å; F367-Y370 HydrophobicContact CD1-CE2 3.89Å; F367-Y370 HydrophobicContact CE1-CE2 4.23Å; F367-Y370 PolarHBondContact O-N 3.24Å; R368-Y370 VanDerWaalsContact C-N 3.31Å; Y370-K372 PolarHBondContact O-N 3.45Å
371	N	95.1	Very high	92.5	Very high	117 Å²	117	23.2 Å²	23.2	63%	0.626	11%	0.112	S	C	*	.	S	Bend	trans	-59.5	-33.7	174.2	-69.2	-18.6	0	0	0	112.8	L207 H208	L207-N371 PolarHBondContact O-N 2.9Å; L207-N371 VanDerWaalsContact O-N 3.1Å; H208-N371 PolarHBondContact ND1-ND2 2.75Å
372	K	96.6	Very high	92.3	Very high	42 Å²	42	25 Å²	25	18%	0.183	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	118.4	173.7	-173.5	-171	-71.5	-176.1	0	108.7	H99 N123 H208 F209 A210 Y370	H99-K372 WeakPolarHBondContact O-CD 3.34Å; H99-K372 PolarHBondContact O-NZ 3.39Å; N123-K372 PolarHBondContact OD1-NZ 3.07Å; H208-K372 PolarHBondContact O-N 3.01Å; F209-K372 VanDerWaalsContact CA-O 3.31Å; F209-K372 WeakPolarHBondContact CA-O 3.36Å; F209-K372 HydrophobicContact CD2-CB 3.79Å; F209-K372 HydrophobicContact CD2-CD 3.46Å; F209-K372 VanDerWaalsContact CD2-CD 3.46Å; F209-K372 HydrophobicContact CD2-CG 3.6Å; F209-K372 WeakPolarHBondContact CD2-O 3.38Å; F209-K372 HydrophobicContact CE2-CB 4.48Å; F209-K372 HydrophobicContact CE2-CD 3.5Å; F209-K372 VanDerWaalsContact CE2-CD 3.5Å; F209-K372 HydrophobicContact CE2-CG 3.8Å; F209-K372 HydrophobicContact CG-CD 4.45Å; A210-K372 PolarHBondContact N-O 3.12Å; Y370-K372 PolarHBondContact O-N 3.45Å
373	L	97.6	Very high	92.2	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.079	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.1	175.7	-174.9	64.1	0	0	0	108.6	G101 A210 I212 L219 F367 Y391 M393	G101-L373 CarbonylContact C-O 3Å; G101-L373 WeakPolarHBondContact CA-O 3.39Å; A210-L373 HydrophobicContact CB-CD1 3.91Å; I212-L373 HydrophobicContact CD1-CD1 3.8Å; I212-L373 HydrophobicContact CG1-CD1 4.22Å; L219-L373 HydrophobicContact CD1-CD2 4.03Å; F367-L373 HydrophobicContact CB-CD1 4.48Å; F367-L373 HydrophobicContact CB-CD2 3.86Å; F367-L373 HydrophobicContact CD1-CD1 4.02Å; L373-Y391 HydrophobicContact CD2-CD1 4.05Å; L373-M393 HydrophobicContact CB-SD 4.44Å; L373-M393 HydrophobicContact CD2-SD 3.86Å; L373-M393 HydrophobicContact CG-CE 4.26Å; L373-M393 HydrophobicContact CG-SD 4.01Å; L373-M393 WeakPolarHBondContact O-CE 3.5Å
374	A	97.9	Very high	92.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.8	176.9	0	0	0	0	0	110.2	I98 F209 A210 I211 I212 M393	I98-A374 HydrophobicContact CB-CB 4.37Å; I98-A374 HydrophobicContact CG2-CB 3.69Å; I98-A374 WeakPolarHBondContact O-CB 3.32Å; F209-A374 HydrophobicContact CE2-CB 3.79Å; F209-A374 HydrophobicContact CZ-CB 4.1Å; A210-A374 PolarHBondContact O-N 3.3Å; I211-A374 WeakPolarHBondContact CA-O 3.31Å; I211-A374 HydrophobicContact CG1-CB 4.49Å; I212-A374 PolarHBondContact N-O 3.48Å; A374-M393 VanDerWaalsContact CA-CE 3.48Å
375	G	96.6	Very high	92.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	170.8	176.7	0	0	0	0	0	114	D102 I103 A104 I212	D102-G375 PolarHBondContact O-N 3.2Å; I103-G375 WeakPolarHBondContact CA-O 3.46Å; A104-G375 PolarHBondContact N-O 3.35Å; I212-G375 CarbonylContact O-C 3.59Å; I212-G375 WeakPolarHBondContact O-CA 3.3Å
376	M	95.8	Very high	92.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145	175.4	58.6	-168.4	-178.5	0	0	110.1	I98 A104 K112 A116 I212 D213 E214 V215	I98-M376 HydrophobicContact CD1-CB 4.25Å; I98-M376 HydrophobicContact CD1-SD 4.37Å; A104-M376 WeakPolarHBondContact O-CA 3.3Å; K112-M376 HydrophobicContact CB-CE 4.15Å; K112-M376 HydrophobicContact CB-CG 4.39Å; K112-M376 HydrophobicContact CB-SD 3.7Å; K112-M376 HydrophobicContact CD-CG 4.41Å; K112-M376 VanDerWaalsContact O-SD 3.4Å; A116-M376 HydrophobicContact CB-CE 3.86Å; A116-M376 HydrophobicContact CB-SD 3.92Å; I212-M376 PolarHBondContact O-N 3.4Å; D213-M376 HydrophobicContact CB-CE 3.65Å; D213-M376 WeakPolarHBondContact OD1-CE 3.28Å; E214-M376 WeakPolarHBondContact CA-O 3.32Å; E214-M376 PolarHBondContact N-O 2.81Å; V215-M376 PolarHBondContact N-O 3.2Å; V215-M376 VanDerWaalsContact N-O 3.12Å
377	T	93.3	Very high	92.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	165.4	176.6	176.5	0	0	0	0	110.9	I103 A104 E105 M106 K112 E214 V215 D216 T379 A380	I103-T377 HydrophobicContact CG2-CG2 4.01Å; A104-T377 PolarHBondContact O-N 3.34Å; E105-T377 CarbonylContact C-O 3.56Å; E105-T377 VanDerWaalsContact CA-O 3.31Å; E105-T377 WeakPolarHBondContact CA-O 3.48Å; M106-T377 PolarHBondContact N-O 2.87Å; M106-T377 VanDerWaalsContact O-O 3.06Å; K112-T377 VanDerWaalsContact CE-C 3.5Å; K112-T377 VanDerWaalsContact NZ-C 3.31Å; E214-T377 PolarHBondContact OE2-OG1 3.18Å; V215-T377 HydrophobicContact CG1-CG2 3.75Å; D216-T377 HydrophobicContact CB-CG2 4.49Å; D216-T377 WeakPolarHBondContact OD1-CB 3.31Å; D216-T377 PolarHBondContact OD1-OG1 3.41Å; D216-T377 PolarHBondContact OD2-OG1 2.92Å; T377-T379 VanDerWaalsContact C-N 3.31Å; T377-T379 PolarHBondContact OG1-N 3.1Å; T377-A380 HydrophobicContact CG2-CB 3.22Å
378	G	88.9	Confident	92.3	Very high	8 Å²	8	40.7 Å²	40.7	8%	0.082	19%	0.189	C	C	.	.	S	Bend	trans	-74.6	-23.3	170.1	0	0	0	0	0	113.5	M106	M106-G378 VanDerWaalsContact O-CA 3.27Å; M106-G378 WeakPolarHBondContact O-CA 3.49Å
379	T	86.5	Confident	92.2	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.11	20%	0.197	C	C	.	.			trans	-156.4	63.5	-155.8	50.9	0	0	0	0	112.2	D216 T377 R523 D526	D216-T379 PolarHBondContact OD2-OG1 3.17Å; D216-T379 VanDerWaalsContact OD2-OG1 3.1Å; T377-T379 VanDerWaalsContact C-N 3.31Å; T377-T379 PolarHBondContact OG1-N 3.1Å; T379-R523 WeakPolarHBondContact O-CD 3.27Å; T379-R523 WeakPolarHBondContact O-CG 3.43Å; T379-R523 WeakPolarHBondContact OG1-CG 3.4Å; T379-D526 HydrophobicContact CG2-CB 3.69Å
380	A	88.5	Confident	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.			trans	-98.9	-20.2	178.7	0	0	0	0	0	114.2	I103 E105 T377 T382 E383 E384 F387 V395	I103-A380 HydrophobicContact CG2-CB 3.81Å; E105-A380 PolarHBondContact OE2-N 3.25Å; T377-A380 HydrophobicContact CG2-CB 3.22Å; A380-T382 PolarHBondContact O-N 2.9Å; A380-T382 VanDerWaalsContact O-N 3.11Å; A380-E383 CarbonylContact O-C 3.43Å; A380-E383 PolarHBondContact O-N 2.77Å; A380-E384 PolarHBondContact O-N 2.84Å; A380-F387 HydrophobicContact CB-CD2 4.37Å; A380-F387 HydrophobicContact CB-CE2 3.72Å; A380-F387 HydrophobicContact CB-CZ 4.42Å; A380-V395 HydrophobicContact CB-CB 4.38Å; A380-V395 HydrophobicContact CB-CG1 3.59Å; A380-V395 HydrophobicContact CB-CG2 3.81Å
381	K	89	Confident	91.8	Very high	61 Å²	61	37.9 Å²	37.9	27%	0.265	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-62.8	-28.6	-164.8	-168.4	59.1	164.6	179.1	0	113.2	E105 E383 E384 V395 Q397	E105-K381 VanDerWaalsContact OE2-CB 3.27Å; E105-K381 WeakPolarHBondContact OE2-CB 3.45Å; E105-K381 PolarHBondContact OE2-N 3.24Å; K381-E383 VanDerWaalsContact C-N 3.26Å; K381-E383 PolarHBondContact O-N 3.28Å; K381-E384 HydrophobicContact CD-CB 4.44Å; K381-E384 VanDerWaalsContact CE-OE2 3.23Å; K381-E384 WeakPolarHBondContact CE-OE2 3.5Å; K381-E384 IonicContact NZ-OE1 3.34Å; K381-E384 PolarHBondContact NZ-OE1 2.96Å; K381-E384 IonicContact NZ-OE2 2.8Å; K381-E384 PolarHBondContact NZ-OE2 3.18Å; K381-E384 PolarHBondContact O-N 2.77Å; K381-V395 HydrophobicContact CB-CG1 4.42Å; K381-V395 HydrophobicContact CD-CB 4.3Å; K381-V395 HydrophobicContact CD-CG1 4.23Å; K381-V395 PolarHBondContact NZ-O 3.29Å; K381-Q397 HydrophobicContact CB-CG 4.25Å; K381-Q397 HydrophobicContact CD-CG 4.06Å; K381-Q397 HydrophobicContact CG-CG 4.18Å
382	T	85.4	Confident	91.7	Very high	48 Å²	48	38.8 Å²	38.8	29%	0.294	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.5	-30.6	177.3	52.6	0	0	0	0	112.7	A380	A380-T382 PolarHBondContact O-N 2.9Å; A380-T382 VanDerWaalsContact O-N 3.11Å
383	E	88	Confident	91.6	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.056	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-107.3	15	-176.9	-52.4	-58.7	159.2	0	0	112	I220 A380 K381 E385 E386 F387	I220-E383 HydrophobicContact CD1-CB 4.39Å; I220-E383 HydrophobicContact CG1-CB 4.48Å; I220-E383 HydrophobicContact CG2-CG 4.48Å; A380-E383 CarbonylContact O-C 3.43Å; A380-E383 PolarHBondContact O-N 2.77Å; K381-E383 VanDerWaalsContact C-N 3.26Å; K381-E383 PolarHBondContact O-N 3.28Å; E383-E385 PolarHBondContact O-N 2.89Å; E383-E385 VanDerWaalsContact O-N 3.14Å; E383-E386 WeakPolarHBondContact O-CB 3.43Å; E383-E386 PolarHBondContact O-N 3.35Å; E383-F387 HydrophobicContact CB-CD2 4.17Å; E383-F387 HydrophobicContact CB-CE2 3.94Å; E383-F387 VanDerWaalsContact O-CD2 3.24Å; E383-F387 WeakPolarHBondContact O-CD2 3.32Å; E383-F387 PolarHBondContact O-N 2.86Å
384	E	90.8	Very high	91.5	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-35.5	-177.6	176.9	176.4	-138.2	0	0	112.7	A380 K381 E386 R388 V395	A380-E384 PolarHBondContact O-N 2.84Å; K381-E384 HydrophobicContact CD-CB 4.44Å; K381-E384 VanDerWaalsContact CE-OE2 3.23Å; K381-E384 WeakPolarHBondContact CE-OE2 3.5Å; K381-E384 IonicContact NZ-OE1 3.34Å; K381-E384 PolarHBondContact NZ-OE1 2.96Å; K381-E384 IonicContact NZ-OE2 2.8Å; K381-E384 PolarHBondContact NZ-OE2 3.18Å; K381-E384 PolarHBondContact O-N 2.77Å; E384-E386 VanDerWaalsContact C-N 3.34Å; E384-R388 VanDerWaalsContact O-CB 3.28Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 2.64Å; E384-V395 HydrophobicContact CB-CB 4.21Å; E384-V395 HydrophobicContact CB-CG2 3.85Å; E384-V395 HydrophobicContact CG-CB 4.11Å; E384-V395 HydrophobicContact CG-CG2 3.97Å
385	E	90.3	Very high	91.3	Very high	132 Å²	132	38.6 Å²	38.6	62%	0.617	19%	0.19	S	C	*	.	H	α-helix	trans	-62.7	-41.2	176	-178.3	171	-175.9	0	0	111.8	E383 N389 F596	E383-E385 PolarHBondContact O-N 2.89Å; E383-E385 VanDerWaalsContact O-N 3.14Å; E385-N389 WeakPolarHBondContact CG-ND2 3.42Å; E385-N389 VanDerWaalsContact O-CB 3.27Å; E385-N389 WeakPolarHBondContact O-CB 3.49Å; E385-N389 PolarHBondContact O-N 2.81Å; E385-N389 PolarHBondContact O-ND2 3.26Å; E385-N389 VanDerWaalsContact O-ND2 3.15Å; E385-F596 HydrophobicContact CG-CE1 4.36Å; E385-F596 HydrophobicContact CG-CZ 4.47Å
386	E	90	Very high	91.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-47.7	177.5	-176.3	164	178.3	0	0	111.2	I220 E383 E384 R388 N389 I390 F596 R599	I220-E386 HydrophobicContact CD1-CB 4.19Å; I220-E386 VanDerWaalsContact CD1-CD 3.47Å; I220-E386 HydrophobicContact CD1-CG 3.68Å; E383-E386 WeakPolarHBondContact O-CB 3.43Å; E383-E386 PolarHBondContact O-N 3.35Å; E384-E386 VanDerWaalsContact C-N 3.34Å; E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 2.88Å; E386-N389 PolarHBondContact O-N 2.6Å; E386-I390 HydrophobicContact CG-CD1 3.58Å; E386-I390 HydrophobicContact CG-CG1 4.27Å; E386-I390 WeakPolarHBondContact O-CB 3.01Å; E386-I390 WeakPolarHBondContact O-CG1 3.4Å; E386-I390 PolarHBondContact O-N 2.67Å; E386-F596 HydrophobicContact CB-CD2 3.66Å; E386-F596 HydrophobicContact CB-CE2 3.64Å; E386-F596 HydrophobicContact CG-CD2 3.64Å; E386-F596 HydrophobicContact CG-CE2 3.67Å; E386-F596 WeakPolarHBondContact OE2-CD2 3.35Å; E386-R599 WeakPolarHBondContact OE1-CD 3.46Å; E386-R599 IonicContact OE1-CZ 3.97Å; E386-R599 IonicContact OE1-NE 2.88Å; E386-R599 PolarHBondContact OE1-NE 3.01Å; E386-R599 IonicContact OE1-NH2 3.16Å; E386-R599 IonicContact OE2-CZ 2.82Å; E386-R599 IonicContact OE2-NE 2.74Å; E386-R599 PolarHBondContact OE2-NE 3.07Å; E386-R599 IonicContact OE2-NH2 2.74Å; E386-R599 PolarHBondContact OE2-NH2 2.76Å
387	F	93.6	Very high	91.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-42.3	176.2	-73	-62.3	0	0	0	112.7	I103 V215 D216 L219 I220 A380 E383 Y391 N392 M393 V395	I103-F387 HydrophobicContact CD1-CB 4.04Å; I103-F387 HydrophobicContact CD1-CD1 3.35Å; I103-F387 HydrophobicContact CD1-CD2 3.68Å; I103-F387 HydrophobicContact CD1-CE1 3.52Å; I103-F387 HydrophobicContact CD1-CE2 3.85Å; I103-F387 HydrophobicContact CD1-CG 3.42Å; I103-F387 VanDerWaalsContact CD1-CG 3.42Å; I103-F387 HydrophobicContact CD1-CZ 3.76Å; V215-F387 HydrophobicContact CG1-CZ 4.39Å; V215-F387 HydrophobicContact CG2-CE1 4.17Å; D216-F387 HydrophobicContact CB-CZ 4.12Å; L219-F387 HydrophobicContact CB-CE1 3.99Å; L219-F387 HydrophobicContact CD1-CE1 4.24Å; I220-F387 HydrophobicContact CD1-CD1 4.29Å; I220-F387 HydrophobicContact CD1-CE1 3.93Å; I220-F387 HydrophobicContact CD1-CE2 4.4Å; I220-F387 HydrophobicContact CD1-CZ 4Å; I220-F387 HydrophobicContact CG1-CE1 3.98Å; I220-F387 HydrophobicContact CG1-CE2 4.31Å; I220-F387 HydrophobicContact CG1-CZ 3.71Å; A380-F387 HydrophobicContact CB-CD2 4.37Å; A380-F387 HydrophobicContact CB-CE2 3.72Å; A380-F387 HydrophobicContact CB-CZ 4.42Å; E383-F387 HydrophobicContact CB-CD2 4.17Å; E383-F387 HydrophobicContact CB-CE2 3.94Å; E383-F387 VanDerWaalsContact O-CD2 3.24Å; E383-F387 WeakPolarHBondContact O-CD2 3.32Å; E383-F387 PolarHBondContact O-N 2.86Å; F387-Y391 HydrophobicContact CD1-CD2 4.2Å; F387-Y391 CarbonylContact O-C 3.17Å; F387-Y391 WeakPolarHBondContact O-CA 3.44Å; F387-Y391 WeakPolarHBondContact O-CB 3.48Å; F387-Y391 PolarHBondContact O-N 3.28Å; F387-N392 PolarHBondContact O-N 3.41Å; F387-N392 VanDerWaalsContact O-N 3.13Å; F387-M393 CarbonylContact C-O 3.52Å; F387-M393 HydrophobicContact CB-CB 4.47Å; F387-M393 PolarHBondContact O-N 2.82Å; F387-V395 HydrophobicContact CD2-CG2 3.94Å
388	R	92.4	Very high	91.3	Very high	151 Å²	151	42.7 Å²	42.7	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-69	-42.7	179.1	-173	177.3	-176.2	146.5	4	112.2	E384 E386 N392 M393	E384-R388 VanDerWaalsContact O-CB 3.28Å; E384-R388 WeakPolarHBondContact O-CB 3.48Å; E384-R388 PolarHBondContact O-N 2.64Å; E386-R388 VanDerWaalsContact C-N 3.27Å; E386-R388 PolarHBondContact O-N 2.88Å; R388-N392 VanDerWaalsContact O-CA 3.27Å; R388-N392 WeakPolarHBondContact O-CA 3.38Å; R388-N392 PolarHBondContact O-N 3.26Å; R388-M393 WeakPolarHBondContact CA-O 3.38Å; R388-M393 PolarHBondContact N-O 3.43Å
389	N	90.1	Very high	91.5	Very high	99 Å²	99	45.1 Å²	45.1	53%	0.529	22%	0.224	S	C	.	.	H	α-helix	trans	-75.5	-33.6	-175.3	-71.7	-21.4	0	0	0	112.8	E385 E386	E385-N389 WeakPolarHBondContact CG-ND2 3.42Å; E385-N389 VanDerWaalsContact O-CB 3.27Å; E385-N389 WeakPolarHBondContact O-CB 3.49Å; E385-N389 PolarHBondContact O-N 2.81Å; E385-N389 PolarHBondContact O-ND2 3.26Å; E385-N389 VanDerWaalsContact O-ND2 3.15Å; E386-N389 PolarHBondContact O-N 2.6Å
390	I	89.1	Confident	91.8	Very high	14 Å²	14	46 Å²	46	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-95	-44.9	-175.6	-59.7	-177	0	0	0	111.7	Q364 R368 E386 L603	Q364-I390 HydrophobicContact CG-CG2 4.21Å; R368-I390 WeakPolarHBondContact CD-O 3.29Å; E386-I390 HydrophobicContact CG-CD1 3.58Å; E386-I390 HydrophobicContact CG-CG1 4.27Å; E386-I390 WeakPolarHBondContact O-CB 3.01Å; E386-I390 WeakPolarHBondContact O-CG1 3.4Å; E386-I390 PolarHBondContact O-N 2.67Å; I390-L603 HydrophobicContact CB-CD2 4.36Å; I390-L603 HydrophobicContact CD1-CD2 4.01Å; I390-L603 HydrophobicContact CG1-CD2 3.83Å; I390-L603 HydrophobicContact CG2-CD2 3.87Å
391	Y	92.4	Very high	92	Very high	22 Å²	22	48.7 Å²	48.7	9%	0.086	24%	0.244	C	C	.	.	H	α-helix	trans	-113.2	-1.8	-170.9	-54.4	-80.6	0	0	0	113.6	L219 Q364 F367 R368 L373 F387 M393	L219-Y391 HydrophobicContact CB-CE2 3.76Å; L219-Y391 HydrophobicContact CD1-CD1 4.27Å; L219-Y391 HydrophobicContact CD1-CD2 4.15Å; L219-Y391 HydrophobicContact CD1-CE1 4.19Å; L219-Y391 HydrophobicContact CD1-CE2 4.06Å; L219-Y391 HydrophobicContact CD1-CG 4.24Å; L219-Y391 HydrophobicContact CD2-CE1 3.94Å; L219-Y391 HydrophobicContact CG-CE1 4.48Å; L219-Y391 HydrophobicContact CG-CE2 4.36Å; L219-Y391 PolarHBondContact O-OH 3.5Å; Q364-Y391 WeakPolarHBondContact CA-OH 3.5Å; Q364-Y391 WeakPolarHBondContact CG-OH 3.21Å; F367-Y391 HydrophobicContact CB-CE1 4.23Å; R368-Y391 HydrophobicContact CG-CD1 3.95Å; R368-Y391 HydrophobicContact CG-CE1 4.32Å; L373-Y391 HydrophobicContact CD2-CD1 4.05Å; F387-Y391 HydrophobicContact CD1-CD2 4.2Å; F387-Y391 CarbonylContact O-C 3.17Å; F387-Y391 WeakPolarHBondContact O-CA 3.44Å; F387-Y391 WeakPolarHBondContact O-CB 3.48Å; F387-Y391 PolarHBondContact O-N 3.28Å; Y391-M393 PolarHBondContact O-N 2.78Å
392	N	92.8	Very high	92	Very high	136 Å²	136	51.4 Å²	51.4	73%	0.727	26%	0.256	S	S	*	.			trans	55.3	34.3	-174.9	-170.1	48.6	0	0	0	113.4	F387 R388	F387-N392 PolarHBondContact O-N 3.41Å; F387-N392 VanDerWaalsContact O-N 3.13Å; R388-N392 VanDerWaalsContact O-CA 3.27Å; R388-N392 WeakPolarHBondContact O-CA 3.38Å; R388-N392 PolarHBondContact O-N 3.26Å
393	M	94.9	Very high	92.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.274	C	S	.	.			trans	-105.6	142.4	178.5	-60	172.6	81.4	0	0	110.8	I103 L219 L373 A374 F387 R388 Y391	I103-M393 HydrophobicContact CD1-CB 4.36Å; I103-M393 HydrophobicContact CD1-CE 4.14Å; I103-M393 HydrophobicContact CD1-SD 4.35Å; I103-M393 HydrophobicContact CG1-CB 4.28Å; I103-M393 HydrophobicContact CG1-CE 3.47Å; I103-M393 VanDerWaalsContact CG1-CE 3.47Å; I103-M393 HydrophobicContact CG1-SD 4.29Å; L219-M393 HydrophobicContact CD1-SD 4.28Å; L373-M393 HydrophobicContact CB-SD 4.44Å; L373-M393 HydrophobicContact CD2-SD 3.86Å; L373-M393 HydrophobicContact CG-CE 4.26Å; L373-M393 HydrophobicContact CG-SD 4.01Å; L373-M393 WeakPolarHBondContact O-CE 3.5Å; A374-M393 VanDerWaalsContact CA-CE 3.48Å; F387-M393 CarbonylContact C-O 3.52Å; F387-M393 HydrophobicContact CB-CB 4.47Å; F387-M393 PolarHBondContact O-N 2.82Å; R388-M393 WeakPolarHBondContact CA-O 3.38Å; R388-M393 PolarHBondContact N-O 3.43Å; Y391-M393 PolarHBondContact O-N 2.78Å
394	T	94.5	Very high	92.4	Very high	48 Å²	48	55.6 Å²	55.6	29%	0.294	28%	0.284	S	S	.	.			trans	-103.5	152.8	172.5	69.1	0	0	0	0	111.6	D102 I103	D102-T394 WeakPolarHBondContact OD1-CA 3.1Å; D102-T394 WeakPolarHBondContact OD1-CB 3.35Å; D102-T394 PolarHBondContact OD1-N 3.23Å; D102-T394 PolarHBondContact OD1-OG1 3.33Å; D102-T394 PolarHBondContact OD2-OG1 3.12Å; I103-T394 PolarHBondContact N-O 3.3Å
395	V	95	Very high	92.4	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.6	-179.4	-176.3	0	0	0	0	109.8	I103 E105 A380 K381 E384 F387	I103-V395 HydrophobicContact CB-CG2 4.24Å; I103-V395 HydrophobicContact CD1-CG2 4.21Å; I103-V395 HydrophobicContact CG2-CG1 4.44Å; E105-V395 HydrophobicContact CB-CG1 3.9Å; A380-V395 HydrophobicContact CB-CB 4.38Å; A380-V395 HydrophobicContact CB-CG1 3.59Å; A380-V395 HydrophobicContact CB-CG2 3.81Å; K381-V395 HydrophobicContact CB-CG1 4.42Å; K381-V395 HydrophobicContact CD-CB 4.3Å; K381-V395 HydrophobicContact CD-CG1 4.23Å; K381-V395 PolarHBondContact NZ-O 3.29Å; E384-V395 HydrophobicContact CB-CB 4.21Å; E384-V395 HydrophobicContact CB-CG2 3.85Å; E384-V395 HydrophobicContact CG-CB 4.11Å; E384-V395 HydrophobicContact CG-CG2 3.97Å; F387-V395 HydrophobicContact CD2-CG2 3.94Å
396	T	94.8	Very high	92.6	Very high	4 Å²	4	54 Å²	54	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116	174.9	-59.1	0	0	0	0	110	E14 I15 L18 I103 E105 I398	E14-T396 HydrophobicContact CG-CG2 4.12Å; I15-T396 HydrophobicContact CD1-CG2 3.75Å; I15-T396 HydrophobicContact CG1-CG2 4.47Å; L18-T396 HydrophobicContact CD1-CG2 3.76Å; I103-T396 PolarHBondContact O-N 3.26Å; E105-T396 PolarHBondContact N-O 3.4Å; T396-I398 HydrophobicContact CG2-CD1 3.91Å; T396-I398 PolarHBondContact O-N 3.03Å
397	Q	94.6	Very high	92.8	Very high	73 Å²	73	58.6 Å²	58.6	34%	0.341	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	104.2	177.6	-56.3	-176.3	-73.1	0	0	110.3	N11 I15 E105 K381	N11-Q397 PolarHBondContact OD1-N 3.29Å; I15-Q397 WeakPolarHBondContact CD1-O 3.5Å; E105-Q397 HydrophobicContact CB-CG 4.37Å; E105-Q397 WeakPolarHBondContact OE1-CG 3.35Å; E105-Q397 PolarHBondContact OE1-NE2 3.5Å; K381-Q397 HydrophobicContact CB-CG 4.25Å; K381-Q397 HydrophobicContact CD-CG 4.06Å; K381-Q397 HydrophobicContact CG-CG 4.18Å
398	I	95.5	Very high	92.8	Very high	11 Å²	11	62.1 Å²	62.1	6%	0.056	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-75.2	132	179.8	-54.9	-59.4	0	0	0	109	I15 L18 V90 M93 A104 E105 M106 T396	I15-I398 HydrophobicContact CD1-CD1 4.21Å; L18-I398 HydrophobicContact CD1-CD1 4.17Å; V90-I398 HydrophobicContact CB-CG2 3.92Å; V90-I398 VanDerWaalsContact O-CG2 3.25Å; V90-I398 WeakPolarHBondContact O-CG2 3.03Å; M93-I398 HydrophobicContact CB-CD1 4.26Å; A104-I398 HydrophobicContact CB-CG1 4.28Å; E105-I398 PolarHBondContact O-N 3.42Å; M106-I398 HydrophobicContact CE-CG2 4.35Å; M106-I398 HydrophobicContact CG-CB 3.91Å; M106-I398 HydrophobicContact CG-CG1 3.9Å; M106-I398 HydrophobicContact CG-CG2 4.35Å; T396-I398 HydrophobicContact CG2-CD1 3.91Å; T396-I398 PolarHBondContact O-N 3.03Å
399	P	93.1	Very high	92.9	Very high	59 Å²	59	57.6 Å²	57.6	38%	0.383	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-64	150	177.3	26.6	-34.4	0	0	0	111.1	V90 M93	V90-P399 WeakPolarHBondContact CB-O 3.22Å; V90-P399 HydrophobicContact CG1-CG 4.07Å; V90-P399 VanDerWaalsContact CG1-O 3.32Å; V90-P399 WeakPolarHBondContact CG1-O 3.36Å; M93-P399 HydrophobicContact CE-CG 4.12Å
400	T	92.3	Very high	93	Very high	38 Å²	38	54 Å²	54	23%	0.233	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.4	144.5	174.8	52.5	0	0	0	0	110.9	R107 E110 K402 V404	R107-T400 HydrophobicContact CB-CG2 4.29Å; R107-T400 HydrophobicContact CG-CG2 3.98Å; E110-T400 VanDerWaalsContact OE1-CB 3.28Å; E110-T400 WeakPolarHBondContact OE1-CB 3.42Å; E110-T400 WeakPolarHBondContact OE1-CG2 3.48Å; T400-K402 VanDerWaalsContact C-N 3.29Å; T400-K402 VanDerWaalsContact CB-O 3.25Å; T400-K402 WeakPolarHBondContact CB-O 3.19Å; T400-K402 PolarHBondContact O-N 2.97Å; T400-K402 PolarHBondContact OG1-O 2.9Å; T400-K402 VanDerWaalsContact OG1-O 3.07Å; T400-V404 HydrophobicContact CG2-CG2 4.32Å
401	N	92.7	Very high	93.1	Very high	56 Å²	56	53.5 Å²	53.5	30%	0.299	28%	0.283	S	S	.	.	S	Bend	trans	-60.7	-41	175.1	-177.5	46.1	0	0	0	111.8	Y88 V90 E110 Q535	Y88-N401 HydrophobicContact CD2-CB 4.43Å; V90-N401 HydrophobicContact CG2-CB 3.93Å; E110-N401 WeakPolarHBondContact OE2-CB 3.18Å; E110-N401 PolarHBondContact OE2-N 3.45Å; N401-Q535 PolarHBondContact ND2-OE1 2.84Å
402	K	90.5	Very high	93.2	Very high	117 Å²	117	53 Å²	53	51%	0.509	28%	0.282	S	S	.	.	S	Bend	trans	-127.1	147.4	175.3	-70.4	173.8	176.6	177.3	0	110.3	T400 Q535	T400-K402 VanDerWaalsContact C-N 3.29Å; T400-K402 VanDerWaalsContact CB-O 3.25Å; T400-K402 WeakPolarHBondContact CB-O 3.19Å; T400-K402 PolarHBondContact O-N 2.97Å; T400-K402 PolarHBondContact OG1-O 2.9Å; T400-K402 VanDerWaalsContact OG1-O 3.07Å; K402-Q535 WeakPolarHBondContact CD-O 3.15Å
403	P	90.7	Very high	93	Very high	105 Å²	105	46.7 Å²	46.7	68%	0.682	25%	0.248	S	C	*	.			trans	-60.9	138.2	177.3	-21.9	33.1	0	0	0	112.2	Q405 G536	P403-Q405 PolarHBondContact O-N 3.29Å; P403-G536 VanDerWaalsContact O-CA 3.32Å; P403-G536 WeakPolarHBondContact O-CA 3.42Å
404	V	89.9	Confident	92.9	Very high	44 Å²	44	47.1 Å²	47.1	27%	0.267	25%	0.25	S	C	.	.			trans	-71.2	127.1	176.3	172.8	0	0	0	0	110.6	T400 R406	T400-V404 HydrophobicContact CG2-CG2 4.32Å; V404-R406 HydrophobicContact CG1-CB 3.82Å
405	Q	91.9	Very high	92.5	Very high	110 Å²	110	46 Å²	46	51%	0.514	24%	0.242	S	C	.	.			trans	-98.9	-3.1	179.2	-60.2	-172.6	41.7	0	0	113.8	P403 N407 G536 K538	P403-Q405 PolarHBondContact O-N 3.29Å; Q405-N407 PolarHBondContact O-N 3.09Å; Q405-G536 VanDerWaalsContact CG-O 3.26Å; Q405-G536 WeakPolarHBondContact CG-O 3Å; Q405-G536 PolarHBondContact NE2-O 2.94Å; Q405-K538 HydrophobicContact CB-CG 4.37Å
406	R	94	Very high	92.3	Very high	41 Å²	41	46.3 Å²	46.3	16%	0.155	24%	0.244	C	C	.	.			trans	-60.1	134.4	178.8	-172.7	-176.5	69.5	-133.6	0	111.6	V404 D408 R529 S532 G539	V404-R406 HydrophobicContact CG1-CB 3.82Å; R406-D408 IonicContact CZ-OD1 3.04Å; R406-D408 IonicContact CZ-OD2 3.58Å; R406-D408 IonicContact NE-OD1 3.62Å; R406-D408 PolarHBondContact NE-OD1 3.03Å; R406-D408 IonicContact NE-OD2 3.55Å; R406-D408 IonicContact NH2-OD1 3.41Å; R406-D408 PolarHBondContact NH2-OD1 2.95Å; R406-D408 IonicContact NH2-OD2 3.58Å; R406-D408 PolarHBondContact NH2-OD2 3.21Å; R406-R529 VanDerWaalsContact NH1-C 3.29Å; R406-R529 PolarHBondContact NH1-O 3.03Å; R406-S532 WeakPolarHBondContact CD-O 3.43Å; R406-S532 PolarHBondContact NH1-O 3.12Å; R406-G539 CarbonylContact C-O 3.6Å; R406-G539 WeakPolarHBondContact CA-O 3.45Å
407	N	94.4	Very high	92.2	Very high	98 Å²	98	50 Å²	50	52%	0.524	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	102.6	174.3	-174.5	12.5	0	0	0	111.2	Q405 K409 G539 D540 S541	Q405-N407 PolarHBondContact O-N 3.09Å; N407-K409 PolarHBondContact O-N 3.45Å; N407-G539 PolarHBondContact N-O 2.77Å; N407-D540 WeakPolarHBondContact O-CA 3.43Å; N407-S541 PolarHBondContact O-N 3.26Å
408	D	93.4	Very high	92.1	Very high	74 Å²	74	53 Å²	53	40%	0.396	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	96.8	174.8	-68.7	-30.3	0	0	0	110.3	R406 S541	R406-D408 IonicContact CZ-OD1 3.04Å; R406-D408 IonicContact CZ-OD2 3.58Å; R406-D408 IonicContact NE-OD1 3.62Å; R406-D408 PolarHBondContact NE-OD1 3.03Å; R406-D408 IonicContact NE-OD2 3.55Å; R406-D408 IonicContact NH2-OD1 3.41Å; R406-D408 PolarHBondContact NH2-OD1 2.95Å; R406-D408 IonicContact NH2-OD2 3.58Å; R406-D408 PolarHBondContact NH2-OD2 3.21Å; D408-S541 WeakPolarHBondContact OD1-CB 3.44Å; D408-S541 PolarHBondContact OD1-OG 3.38Å
409	K	93.1	Very high	91.9	Very high	55 Å²	55	52.8 Å²	52.8	24%	0.239	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-74.5	156.8	-178.9	-63.4	169.9	178.9	165.4	0	110.6	N407 D540 S541 R542	N407-K409 PolarHBondContact O-N 3.45Å; K409-D540 IonicContact NZ-OD2 2.96Å; K409-D540 PolarHBondContact NZ-OD2 3.43Å; K409-S541 WeakPolarHBondContact CB-O 3.38Å; K409-S541 PolarHBondContact N-O 2.9Å; K409-R542 HydrophobicContact CB-CB 4.18Å; K409-R542 HydrophobicContact CB-CG 4.38Å
410	S	92.2	Very high	92	Very high	24 Å²	24	50.1 Å²	50.1	17%	0.168	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-70.1	158	173.9	-64	0	0	0	0	111.6	R542	S410-R542 PolarHBondContact O-NE 2.99Å
411	D	92.3	Very high	92.1	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-75.3	148	-175.1	-56.5	-8.3	0	0	0	110.9	R518 F543 L545 S581	D411-R518 IonicContact OD1-CZ 3.81Å; D411-R518 IonicContact OD1-NE 2.86Å; D411-R518 IonicContact OD1-NH2 3.87Å; D411-R518 PolarHBondContact OD1-NH2 2.9Å; D411-R518 IonicContact OD2-CZ 2.82Å; D411-R518 IonicContact OD2-NE 3.95Å; D411-R518 PolarHBondContact OD2-NE 3.1Å; D411-R518 IonicContact OD2-NH2 2.71Å; D411-R518 PolarHBondContact OD2-NH2 3.38Å; D411-F543 WeakPolarHBondContact CA-O 3.4Å; D411-L545 HydrophobicContact CB-CD1 3.84Å; D411-S581 PolarHBondContact N-OG 2.99Å; D411-S581 PolarHBondContact OD2-OG 3.45Å
412	L	93.5	Very high	92.2	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.1	174.2	-62.8	-175.2	0	0	0	109.8	Y414 F543 Y544 L545 P574 E576	L412-Y414 HydrophobicContact CB-CE2 3.77Å; L412-F543 PolarHBondContact N-O 3.22Å; L412-Y544 HydrophobicContact CB-CD1 4.33Å; L412-Y544 HydrophobicContact CB-CE1 4.5Å; L412-Y544 HydrophobicContact CD1-CD1 4.27Å; L412-Y544 HydrophobicContact CD1-CE1 3.63Å; L412-Y544 CarbonylContact O-C 3.59Å; L412-L545 PolarHBondContact O-N 3.37Å; L412-P574 HydrophobicContact CB-CB 3.83Å; L412-P574 HydrophobicContact CB-CG 4.47Å; L412-P574 HydrophobicContact CD1-CG 4.41Å; L412-P574 HydrophobicContact CD2-CB 4.07Å; L412-P574 HydrophobicContact CD2-CG 4.08Å; L412-P574 HydrophobicContact CG-CB 4.38Å; L412-E576 HydrophobicContact CD2-CB 3.64Å; L412-E576 HydrophobicContact CD2-CG 3.82Å
413	I	89.9	Confident	92.4	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.1	-175.2	-60.6	160.8	0	0	0	110.6	L545 L547 P574 I575 V580	I413-L545 CarbonylContact C-O 3.57Å; I413-L545 WeakPolarHBondContact CA-O 3.45Å; I413-L545 HydrophobicContact CD1-CD1 4.43Å; I413-L545 HydrophobicContact CG1-CB 3.88Å; I413-L545 HydrophobicContact CG1-CD1 3.9Å; I413-L547 HydrophobicContact CG2-CD2 4.01Å; I413-L547 HydrophobicContact CG2-CG 4.44Å; I413-P574 CarbonylContact O-C 3.57Å; I413-P574 VanDerWaalsContact O-CA 3.31Å; I413-P574 WeakPolarHBondContact O-CA 3.35Å; I413-I575 PolarHBondContact N-O 3.04Å; I413-I575 VanDerWaalsContact N-O 3.08Å; I413-I575 PolarHBondContact O-N 3.05Å; I413-V580 HydrophobicContact CD1-CB 3.82Å; I413-V580 HydrophobicContact CD1-CG1 3.07Å
414	Y	91.5	Very high	92.7	Very high	11 Å²	11	39.9 Å²	39.9	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.7	-177.9	-63.7	-92.7	0	0	0	111.7	L412 K420 A423 Y544 L545 S546 L547 P574	L412-Y414 HydrophobicContact CB-CE2 3.77Å; Y414-K420 HydrophobicContact CD2-CB 4.07Å; Y414-K420 HydrophobicContact CD2-CG 4.37Å; Y414-K420 HydrophobicContact CG-CB 4.27Å; Y414-A423 HydrophobicContact CE1-CB 3.73Å; Y414-A423 HydrophobicContact CE2-CB 4.06Å; Y414-A423 WeakPolarHBondContact OH-CB 3.47Å; Y414-Y544 AromaticContact CE2-CD1 3.72Å; Y414-Y544 HydrophobicContact CE2-CD1 3.72Å; Y414-Y544 HydrophobicContact CE2-CE1 4.37Å; Y414-L545 WeakPolarHBondContact CD2-O 3.5Å; Y414-L545 PolarHBondContact N-O 3.22Å; Y414-S546 CarbonylContact O-C 3.51Å; Y414-S546 VanDerWaalsContact O-CA 3.3Å; Y414-S546 WeakPolarHBondContact O-CA 3.31Å; Y414-L547 PolarHBondContact O-N 3.36Å; Y414-P574 HydrophobicContact CD1-CB 4.34Å; Y414-P574 HydrophobicContact CD2-CB 4.45Å; Y414-P574 HydrophobicContact CE1-CB 3.83Å; Y414-P574 HydrophobicContact CE1-CG 4.14Å; Y414-P574 HydrophobicContact CE2-CB 3.94Å
415	I	87.5	Confident	93	Very high	24 Å²	24	38 Å²	38	12%	0.123	19%	0.19	C	C	.	.	S	Bend	trans	-70.2	-46	177.9	-60.5	176.5	0	0	0	110.9	S546 M564 L569	I415-S546 PolarHBondContact O-OG 2.86Å; I415-M564 HydrophobicContact CD1-CB 4.16Å; I415-M564 HydrophobicContact CD1-CE 4.2Å; I415-M564 HydrophobicContact CG1-CB 4.11Å; I415-M564 HydrophobicContact CG1-CE 3.47Å; I415-M564 VanDerWaalsContact CG1-CE 3.47Å; I415-M564 HydrophobicContact CG1-SD 3.67Å; I415-L569 HydrophobicContact CD1-CB 4.34Å; I415-L569 VanDerWaalsContact CD1-O 3.22Å; I415-L569 WeakPolarHBondContact CD1-O 3.41Å
416	S	90.5	Very high	93.2	Very high	10 Å²	10	36.6 Å²	36.6	7%	0.07	18%	0.184	C	C	.	.	S	Bend	trans	-116.8	155.2	-175.7	71.9	0	0	0	0	112.5	K418 G419 K420 S546 D571	S416-K418 PolarHBondContact O-N 2.96Å; S416-G419 PolarHBondContact O-N 2.79Å; S416-G419 PolarHBondContact OG-N 3.2Å; S416-G419 VanDerWaalsContact OG-N 3.16Å; S416-K420 PolarHBondContact O-N 3.38Å; S416-K420 VanDerWaalsContact O-N 3.16Å; S416-S546 PolarHBondContact O-OG 3.27Å; S416-D571 WeakPolarHBondContact CB-OD2 3.22Å; S416-D571 PolarHBondContact OG-OD2 3.11Å
417	Q	91.8	Very high	93.3	Very high	81 Å²	81	35.5 Å²	35.5	38%	0.379	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-34.1	173	-71.8	-173.1	-0.8	0	0	111.2	K420 F421 S546 Q548	Q417-K420 WeakPolarHBondContact O-CB 3.36Å; Q417-K420 PolarHBondContact O-N 2.85Å; Q417-F421 HydrophobicContact CB-CD2 4.19Å; Q417-F421 HydrophobicContact CB-CE2 3.93Å; Q417-F421 WeakPolarHBondContact O-CD2 3.32Å; Q417-F421 WeakPolarHBondContact O-CG 3.4Å; Q417-F421 PolarHBondContact O-N 2.87Å; Q417-S546 PolarHBondContact N-OG 3.11Å; Q417-Q548 HydrophobicContact CG-CB 3.81Å; Q417-Q548 PolarHBondContact NE2-O 2.82Å
418	K	92.2	Very high	93.4	Very high	136 Å²	136	30.9 Å²	30.9	59%	0.591	16%	0.156	S	C	*	.	H	α-helix	trans	-60.2	-51.3	176.6	-175	-176.4	175.1	-172.5	0	111.2	S416 K420 F421 D422	S416-K418 PolarHBondContact O-N 2.96Å; K418-K420 VanDerWaalsContact C-N 3.29Å; K418-K420 PolarHBondContact O-N 3.38Å; K418-F421 PolarHBondContact O-N 3.37Å; K418-D422 WeakPolarHBondContact O-CB 3.33Å; K418-D422 PolarHBondContact O-N 2.88Å
419	G	92.2	Very high	93.5	Very high	7 Å²	7	27.6 Å²	27.6	7%	0.072	14%	0.139	C	C	.	.	H	α-helix	trans	-58.1	-41.9	176.9	0	0	0	0	0	112.7	S416 A423 D571	S416-G419 PolarHBondContact O-N 2.79Å; S416-G419 PolarHBondContact OG-N 3.2Å; S416-G419 VanDerWaalsContact OG-N 3.16Å; G419-A423 WeakPolarHBondContact O-CB 3.4Å; G419-A423 PolarHBondContact O-N 3.37Å; G419-A423 VanDerWaalsContact O-N 3.08Å; G419-D571 WeakPolarHBondContact CA-O 3.38Å
420	K	94.7	Very high	93.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-56.4	-55.1	173.3	-178.6	-173	74.5	168	0	112.1	Y414 S416 Q417 K418 A423 V424 T516 D549	Y414-K420 HydrophobicContact CD2-CB 4.07Å; Y414-K420 HydrophobicContact CD2-CG 4.37Å; Y414-K420 HydrophobicContact CG-CB 4.27Å; S416-K420 PolarHBondContact O-N 3.38Å; S416-K420 VanDerWaalsContact O-N 3.16Å; Q417-K420 WeakPolarHBondContact O-CB 3.36Å; Q417-K420 PolarHBondContact O-N 2.85Å; K418-K420 VanDerWaalsContact C-N 3.29Å; K418-K420 PolarHBondContact O-N 3.38Å; K420-A423 PolarHBondContact O-N 3.12Å; K420-V424 WeakPolarHBondContact O-CG2 3.31Å; K420-V424 PolarHBondContact O-N 3.42Å; K420-T516 VanDerWaalsContact CD-O 3.3Å; K420-T516 WeakPolarHBondContact CD-O 3.43Å; K420-T516 VanDerWaalsContact CE-O 3.26Å; K420-T516 WeakPolarHBondContact CE-O 3.41Å; K420-T516 PolarHBondContact NZ-O 3.43Å; K420-D549 IonicContact NZ-OD1 2.87Å; K420-D549 PolarHBondContact NZ-OD1 3.14Å; K420-D549 IonicContact NZ-OD2 3.8Å; K420-D549 PolarHBondContact NZ-OD2 2.89Å
421	F	95.9	Very high	93.9	Very high	11 Å²	11	31 Å²	31	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-36.8	-175.8	-67.2	-52.7	0	0	0	112.9	Q417 K418 A423 V424 V425 T447 Y450 I451 L454	Q417-F421 HydrophobicContact CB-CD2 4.19Å; Q417-F421 HydrophobicContact CB-CE2 3.93Å; Q417-F421 WeakPolarHBondContact O-CD2 3.32Å; Q417-F421 WeakPolarHBondContact O-CG 3.4Å; Q417-F421 PolarHBondContact O-N 2.87Å; K418-F421 PolarHBondContact O-N 3.37Å; F421-A423 VanDerWaalsContact C-N 3.29Å; F421-A423 PolarHBondContact O-N 3.4Å; F421-V424 PolarHBondContact O-N 3.34Å; F421-V425 WeakPolarHBondContact O-CB 3.49Å; F421-V425 VanDerWaalsContact O-CG2 3.28Å; F421-V425 WeakPolarHBondContact O-CG2 3.07Å; F421-V425 PolarHBondContact O-N 3.07Å; F421-T447 HydrophobicContact CE1-CG2 3.66Å; F421-T447 HydrophobicContact CZ-CG2 3.79Å; F421-Y450 HydrophobicContact CB-CE1 3.9Å; F421-Y450 AromaticContact CD2-CD1 3.87Å; F421-Y450 HydrophobicContact CD2-CD1 3.87Å; F421-Y450 AromaticContact CD2-CE1 3.4Å; F421-Y450 HydrophobicContact CD2-CE1 3.4Å; F421-Y450 VanDerWaalsContact CD2-CE1 3.4Å; F421-Y450 HydrophobicContact CE2-CD1 4.08Å; F421-Y450 HydrophobicContact CE2-CE1 4.01Å; F421-Y450 HydrophobicContact CG-CD1 4.11Å; F421-Y450 AromaticContact CG-CE1 3.73Å; F421-Y450 HydrophobicContact CG-CE1 3.73Å; F421-I451 HydrophobicContact CD1-CD1 3.88Å; F421-I451 HydrophobicContact CD1-CG1 3.9Å; F421-I451 HydrophobicContact CE1-CD1 3.89Å; F421-I451 HydrophobicContact CE1-CG1 4.16Å; F421-L454 HydrophobicContact CB-CD1 4.09Å
422	D	94.6	Very high	94	Very high	69 Å²	69	33.4 Å²	33.4	37%	0.369	16%	0.164	S	C	.	.	H	α-helix	trans	-60.6	-41.3	174	-74.7	-22.3	0	0	0	110.7	K418 V425 E426	K418-D422 WeakPolarHBondContact O-CB 3.33Å; K418-D422 PolarHBondContact O-N 2.88Å; D422-V425 PolarHBondContact O-N 2.94Å; D422-E426 PolarHBondContact O-N 3.01Å
423	A	94.7	Very high	94	Very high	21 Å²	21	40.4 Å²	40.4	17%	0.174	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-40.4	177.1	0	0	0	0	0	113.6	Y414 G419 K420 F421 V425 E426 D427 Y544	Y414-A423 HydrophobicContact CE1-CB 3.73Å; Y414-A423 HydrophobicContact CE2-CB 4.06Å; Y414-A423 WeakPolarHBondContact OH-CB 3.47Å; G419-A423 WeakPolarHBondContact O-CB 3.4Å; G419-A423 PolarHBondContact O-N 3.37Å; G419-A423 VanDerWaalsContact O-N 3.08Å; K420-A423 PolarHBondContact O-N 3.12Å; F421-A423 VanDerWaalsContact C-N 3.29Å; F421-A423 PolarHBondContact O-N 3.4Å; A423-V425 VanDerWaalsContact C-N 3.32Å; A423-V425 PolarHBondContact O-N 2.74Å; A423-E426 PolarHBondContact O-N 3.48Å; A423-D427 WeakPolarHBondContact O-CB 3.29Å; A423-D427 PolarHBondContact O-N 3.11Å; A423-Y544 HydrophobicContact CB-CD1 4.24Å; A423-Y544 HydrophobicContact CB-CE1 4.13Å
424	V	96.2	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-47.1	172.9	166.9	0	0	0	0	110.2	K420 F421 E426 D427 V428 L440 I514 T516 Y544	K420-V424 WeakPolarHBondContact O-CG2 3.31Å; K420-V424 PolarHBondContact O-N 3.42Å; F421-V424 PolarHBondContact O-N 3.34Å; V424-E426 PolarHBondContact O-N 3.15Å; V424-D427 PolarHBondContact O-N 3.19Å; V424-V428 HydrophobicContact CG1-CG2 4.46Å; V424-V428 VanDerWaalsContact O-CG2 3.25Å; V424-V428 WeakPolarHBondContact O-CG2 3.43Å; V424-V428 PolarHBondContact O-N 2.71Å; V424-L440 HydrophobicContact CG1-CD1 3.53Å; V424-L440 HydrophobicContact CG1-CG 4.48Å; V424-I514 HydrophobicContact CG1-CG2 4.32Å; V424-T516 HydrophobicContact CG1-CG2 4.16Å; V424-T516 HydrophobicContact CG2-CG2 4.47Å; V424-Y544 VanDerWaalsContact CG2-CB 3.5Å; V424-Y544 HydrophobicContact CG2-CD1 3.69Å; V424-Y544 HydrophobicContact CG2-CD2 4Å; V424-Y544 HydrophobicContact CG2-CE1 4.43Å; V424-Y544 HydrophobicContact CG2-CG 3.46Å; V424-Y544 VanDerWaalsContact CG2-CG 3.46Å
425	V	96.3	Very high	94.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-42	-179.6	166.7	0	0	0	0	111.4	F421 D422 A423 V428 V429 L454 L455 R458	F421-V425 WeakPolarHBondContact O-CB 3.49Å; F421-V425 VanDerWaalsContact O-CG2 3.28Å; F421-V425 WeakPolarHBondContact O-CG2 3.07Å; F421-V425 PolarHBondContact O-N 3.07Å; D422-V425 PolarHBondContact O-N 2.94Å; A423-V425 VanDerWaalsContact C-N 3.32Å; A423-V425 PolarHBondContact O-N 2.74Å; V425-V428 PolarHBondContact O-N 2.84Å; V425-V429 HydrophobicContact CG1-CG2 4.43Å; V425-V429 WeakPolarHBondContact O-CB 3.22Å; V425-V429 WeakPolarHBondContact O-CG2 3.46Å; V425-V429 PolarHBondContact O-N 3.32Å; V425-L454 HydrophobicContact CG2-CB 3.69Å; V425-L454 HydrophobicContact CG2-CD1 3.96Å; V425-L455 HydrophobicContact CG1-CD2 4.18Å; V425-L455 HydrophobicContact CG2-CD2 4.34Å; V425-R458 HydrophobicContact CG1-CG 3.88Å
426	E	95.9	Very high	94.8	Very high	81 Å²	81	43 Å²	43	38%	0.379	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-39.8	178.2	-162.6	61.9	-143.9	0	0	111.8	D422 A423 V424 V429 E430 R458	D422-E426 PolarHBondContact O-N 3.01Å; A423-E426 PolarHBondContact O-N 3.48Å; V424-E426 PolarHBondContact O-N 3.15Å; E426-V429 PolarHBondContact O-N 3.1Å; E426-E430 PolarHBondContact O-N 3.39Å; E426-R458 IonicContact OE2-CZ 3.22Å; E426-R458 IonicContact OE2-NH1 2.81Å; E426-R458 PolarHBondContact OE2-NH1 2.95Å; E426-R458 IonicContact OE2-NH2 2.82Å; E426-R458 PolarHBondContact OE2-NH2 3.37Å; E426-R458 VanDerWaalsContact OE2-NH2 3.1Å
427	D	96.1	Very high	95.2	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-41.7	175.6	-171.3	39.9	0	0	0	112	A423 V424 V429 E430 K431 I514 Y544	A423-D427 WeakPolarHBondContact O-CB 3.29Å; A423-D427 PolarHBondContact O-N 3.11Å; V424-D427 PolarHBondContact O-N 3.19Å; D427-V429 VanDerWaalsContact C-N 3.35Å; D427-V429 PolarHBondContact O-N 3.38Å; D427-E430 PolarHBondContact O-N 2.9Å; D427-K431 WeakPolarHBondContact O-CB 3.03Å; D427-K431 WeakPolarHBondContact O-CG 3.08Å; D427-K431 PolarHBondContact O-N 3.15Å; D427-K431 IonicContact OD1-NZ 3.68Å; D427-K431 PolarHBondContact OD1-NZ 3.33Å; D427-K431 IonicContact OD2-NZ 2.63Å; D427-K431 PolarHBondContact OD2-NZ 3.3Å; D427-I514 VanDerWaalsContact OD2-CD1 3.25Å; D427-I514 WeakPolarHBondContact OD2-CD1 3.47Å; D427-Y544 VanDerWaalsContact CG-OH 3.28Å; D427-Y544 PolarHBondContact OD2-OH 3.11Å; D427-Y544 VanDerWaalsContact OD2-OH 3.06Å
428	V	96.6	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-43.8	173.3	173.5	0	0	0	0	110.8	V424 V425 H432 V438 L440 L455 V486 I514	V424-V428 HydrophobicContact CG1-CG2 4.46Å; V424-V428 VanDerWaalsContact O-CG2 3.25Å; V424-V428 WeakPolarHBondContact O-CG2 3.43Å; V424-V428 PolarHBondContact O-N 2.71Å; V425-V428 PolarHBondContact O-N 2.84Å; V428-H432 WeakPolarHBondContact O-CB 3.27Å; V428-H432 PolarHBondContact O-N 3.43Å; V428-V438 HydrophobicContact CG2-CG1 4.17Å; V428-L440 HydrophobicContact CG2-CD1 3.95Å; V428-L455 HydrophobicContact CB-CD2 4.12Å; V428-L455 HydrophobicContact CG1-CD1 4.33Å; V428-L455 HydrophobicContact CG1-CD2 3.72Å; V428-V486 HydrophobicContact CG1-CG1 3.73Å; V428-V486 HydrophobicContact CG1-CG2 4.21Å; V428-I514 HydrophobicContact CG2-CD1 3.96Å
429	V	96.6	Very high	95.6	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-43.2	179	168	0	0	0	0	111.2	V425 E426 D427 K433 R458 I460	V425-V429 HydrophobicContact CG1-CG2 4.43Å; V425-V429 WeakPolarHBondContact O-CB 3.22Å; V425-V429 WeakPolarHBondContact O-CG2 3.46Å; V425-V429 PolarHBondContact O-N 3.32Å; E426-V429 PolarHBondContact O-N 3.1Å; D427-V429 VanDerWaalsContact C-N 3.35Å; D427-V429 PolarHBondContact O-N 3.38Å; V429-K433 HydrophobicContact CG1-CD 4.02Å; V429-K433 WeakPolarHBondContact O-CB 3.5Å; V429-K433 VanDerWaalsContact O-CG 3.24Å; V429-K433 WeakPolarHBondContact O-CG 3.12Å; V429-K433 PolarHBondContact O-N 3.45Å; V429-R458 HydrophobicContact CG2-CB 4.19Å; V429-R458 HydrophobicContact CG2-CG 4.42Å; V429-I460 HydrophobicContact CG2-CD1 4.09Å; V429-I460 HydrophobicContact CG2-CG1 3.84Å
430	E	96.2	Very high	95.8	Very high	134 Å²	134	32.1 Å²	32.1	63%	0.626	17%	0.168	S	C	*	.	H	α-helix	trans	-62.5	-51.3	178.1	-173.2	-179.9	170.9	0	0	111.3	E426 D427 H432 K433 A434	E426-E430 PolarHBondContact O-N 3.39Å; D427-E430 PolarHBondContact O-N 2.9Å; E430-H432 PolarHBondContact O-N 3.31Å; E430-K433 PolarHBondContact O-N 3Å; E430-A434 PolarHBondContact O-N 3.48Å
431	K	95.9	Very high	95.7	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-43.7	178.3	-71.7	-170.5	174.1	76.9	0	112.5	D427 K433 A434 G435 Q436 V438 A512	D427-K431 WeakPolarHBondContact O-CB 3.03Å; D427-K431 WeakPolarHBondContact O-CG 3.08Å; D427-K431 PolarHBondContact O-N 3.15Å; D427-K431 IonicContact OD1-NZ 3.68Å; D427-K431 PolarHBondContact OD1-NZ 3.33Å; D427-K431 IonicContact OD2-NZ 2.63Å; D427-K431 PolarHBondContact OD2-NZ 3.3Å; K431-K433 PolarHBondContact O-N 3.32Å; K431-A434 CarbonylContact O-C 3.59Å; K431-A434 WeakPolarHBondContact O-CB 3.3Å; K431-A434 PolarHBondContact O-N 3.02Å; K431-A434 VanDerWaalsContact O-N 3.15Å; K431-G435 PolarHBondContact O-N 3.4Å; K431-G435 VanDerWaalsContact O-N 3.12Å; K431-Q436 HydrophobicContact CB-CB 4.31Å; K431-Q436 PolarHBondContact O-N 3.4Å; K431-V438 HydrophobicContact CB-CG2 3.62Å; K431-V438 HydrophobicContact CD-CG2 3.97Å; K431-V438 HydrophobicContact CG-CG2 4.47Å; K431-A512 HydrophobicContact CD-CB 3.42Å; K431-A512 VanDerWaalsContact CD-CB 3.42Å
432	H	94.8	Very high	95.5	Very high	54 Å²	54	31.7 Å²	31.7	25%	0.25	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-41	177.2	-178.7	76.2	0	0	0	112	V428 E430 A434 G435 G484 V486	V428-H432 WeakPolarHBondContact O-CB 3.27Å; V428-H432 PolarHBondContact O-N 3.43Å; E430-H432 PolarHBondContact O-N 3.31Å; H432-A434 VanDerWaalsContact C-N 3.3Å; H432-A434 PolarHBondContact O-N 2.88Å; H432-G435 WeakPolarHBondContact O-CA 3.47Å; H432-G435 PolarHBondContact O-N 3.31Å; H432-G484 PolarHBondContact CE1-O 2.94Å; H432-G484 PolarHBondContact ND1-O 3.4Å; H432-V486 HydrophobicContact CB-CG2 4.07Å; H432-V486 WeakPolarHBondContact ND1-CG2 3.4Å
433	K	94.3	Very high	95	Very high	160 Å²	160	31.2 Å²	31.2	70%	0.696	17%	0.167	S	C	*	.	H	α-helix	trans	-63.3	-35	174.2	-78.1	172.1	-179.7	169.8	0	112.6	V429 E430 K431 G435	V429-K433 HydrophobicContact CG1-CD 4.02Å; V429-K433 WeakPolarHBondContact O-CB 3.5Å; V429-K433 VanDerWaalsContact O-CG 3.24Å; V429-K433 WeakPolarHBondContact O-CG 3.12Å; V429-K433 PolarHBondContact O-N 3.45Å; E430-K433 PolarHBondContact O-N 3Å; K431-K433 PolarHBondContact O-N 3.32Å; K433-G435 PolarHBondContact O-N 3.26Å
434	A	94.7	Very high	94.5	Very high	64 Å²	64	31.8 Å²	31.8	53%	0.529	17%	0.172	S	C	.	.	H	α-helix	trans	-71.7	-11.4	171.9	0	0	0	0	0	112.9	E430 K431 H432 Q436 L508	E430-A434 PolarHBondContact O-N 3.48Å; K431-A434 CarbonylContact O-C 3.59Å; K431-A434 WeakPolarHBondContact O-CB 3.3Å; K431-A434 PolarHBondContact O-N 3.02Å; K431-A434 VanDerWaalsContact O-N 3.15Å; H432-A434 VanDerWaalsContact C-N 3.3Å; H432-A434 PolarHBondContact O-N 2.88Å; A434-Q436 VanDerWaalsContact C-N 3.34Å; A434-L508 WeakPolarHBondContact O-CD2 3.12Å
435	G	94.4	Very high	93.9	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	5.5	-176.3	0	0	0	0	0	113.9	K431 H432 K433 K483 G484 L508	K431-G435 PolarHBondContact O-N 3.4Å; K431-G435 VanDerWaalsContact O-N 3.12Å; H432-G435 WeakPolarHBondContact O-CA 3.47Å; H432-G435 PolarHBondContact O-N 3.31Å; K433-G435 PolarHBondContact O-N 3.26Å; G435-K483 VanDerWaalsContact O-CG 3.31Å; G435-K483 WeakPolarHBondContact O-CG 3.39Å; G435-G484 PolarHBondContact O-N 2.82Å; G435-L508 WeakPolarHBondContact O-CD1 3.49Å
436	Q	97	Very high	93.5	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.084	22%	0.219	C	C	.	.			trans	-72.6	129.7	177.9	-169.1	-177.6	16.6	0	0	109.6	K431 A434 L508 G510 A512	K431-Q436 HydrophobicContact CB-CB 4.31Å; K431-Q436 PolarHBondContact O-N 3.4Å; A434-Q436 VanDerWaalsContact C-N 3.34Å; Q436-L508 HydrophobicContact CB-CB 4.39Å; Q436-G510 WeakPolarHBondContact CG-O 3.44Å; Q436-G510 PolarHBondContact NE2-O 2.92Å; Q436-A512 HydrophobicContact CG-CB 4.47Å
437	P	97.5	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.			trans	-67	144	173.3	18.8	-22.3	0	0	0	111.9	A480 Q482 A485 V505 L511 A512	P437-A480 VanDerWaalsContact CB-O 3.31Å; P437-A480 WeakPolarHBondContact CB-O 3.5Å; P437-Q482 WeakPolarHBondContact CB-O 3.39Å; P437-A485 CarbonylContact C-O 3.58Å; P437-A485 VanDerWaalsContact CA-O 3.27Å; P437-A485 WeakPolarHBondContact CA-O 3.22Å; P437-A485 HydrophobicContact CB-CB 4.42Å; P437-V505 HydrophobicContact CG-CG1 3.44Å; P437-V505 VanDerWaalsContact CG-CG1 3.44Å; P437-V505 HydrophobicContact CG-CG2 4.32Å; P437-L511 HydrophobicContact CB-CD1 3.86Å; P437-L511 HydrophobicContact CG-CD1 4.24Å; P437-A512 PolarHBondContact O-N 3.04Å
438	V	97.4	Very high	92.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.8	-178.4	-173.1	0	0	0	0	110.5	V428 K431 A485 V486 T487 A512 I514	V428-V438 HydrophobicContact CG2-CG1 4.17Å; K431-V438 HydrophobicContact CB-CG2 3.62Å; K431-V438 HydrophobicContact CD-CG2 3.97Å; K431-V438 HydrophobicContact CG-CG2 4.47Å; V438-A485 PolarHBondContact N-O 2.95Å; V438-V486 WeakPolarHBondContact O-CA 3.34Å; V438-T487 PolarHBondContact O-N 2.68Å; V438-A512 WeakPolarHBondContact CA-O 3.3Å; V438-A512 HydrophobicContact CG2-CB 4.33Å; V438-I514 HydrophobicContact CG1-CD1 3.71Å; V438-I514 HydrophobicContact CG1-CG1 4.17Å
439	L	95.7	Very high	92.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	166	179.7	67.2	0	0	0	109	T487 A489 I499 L511 A512 V513 I514 L528 R531	L439-T487 CarbonylContact C-O 3.49Å; L439-T487 WeakPolarHBondContact CA-O 3.44Å; L439-T487 HydrophobicContact CD1-CG2 3.9Å; L439-A489 HydrophobicContact CD1-CB 4.02Å; L439-I499 HydrophobicContact CD2-CD1 3.91Å; L439-L511 HydrophobicContact CB-CD1 4.24Å; L439-L511 HydrophobicContact CB-CD2 4.42Å; L439-A512 PolarHBondContact N-O 2.88Å; L439-V513 HydrophobicContact CB-CG2 4.41Å; L439-V513 CarbonylContact O-C 3.58Å; L439-V513 WeakPolarHBondContact O-CA 3.25Å; L439-I514 PolarHBondContact O-N 3.22Å; L439-L528 HydrophobicContact CD2-CD1 4.49Å; L439-R531 HydrophobicContact CD2-CB 3.55Å; L439-R531 HydrophobicContact CD2-CG 3.67Å
440	L	95.4	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.6	-179.7	-176	161.3	0	0	0	109.4	V424 V428 T442 I451 T487 I488 A489 I514 T516	V424-L440 HydrophobicContact CG1-CD1 3.53Å; V424-L440 HydrophobicContact CG1-CG 4.48Å; V428-L440 HydrophobicContact CG2-CD1 3.95Å; L440-T442 HydrophobicContact CD2-CG2 3.47Å; L440-T442 VanDerWaalsContact CD2-CG2 3.47Å; L440-I451 HydrophobicContact CD1-CD1 4.46Å; L440-I451 HydrophobicContact CD1-CG2 3.85Å; L440-I451 HydrophobicContact CD2-CD1 3.98Å; L440-T487 PolarHBondContact N-O 3.27Å; L440-I488 HydrophobicContact CB-CG1 4.39Å; L440-I488 HydrophobicContact CD2-CG1 4.35Å; L440-I488 HydrophobicContact CD2-CG2 4.11Å; L440-I488 CarbonylContact O-C 3.48Å; L440-I488 WeakPolarHBondContact O-CA 3.42Å; L440-A489 PolarHBondContact O-N 3.05Å; L440-I514 CarbonylContact C-O 3.55Å; L440-I514 WeakPolarHBondContact CA-O 3.33Å; L440-T516 HydrophobicContact CD1-CG2 4.21Å; L440-T516 HydrophobicContact CD2-CG2 3.41Å; L440-T516 VanDerWaalsContact CD2-CG2 3.41Å; L440-T516 HydrophobicContact CG-CG2 3.79Å
441	G	93.6	Very high	92.5	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.1	178.7	0	0	0	0	0	112.3	A489 I514 T516	G441-A489 CarbonylContact C-O 3.58Å; G441-A489 VanDerWaalsContact CA-O 3.27Å; G441-A489 WeakPolarHBondContact CA-O 3.4Å; G441-I514 PolarHBondContact N-O 3.46Å; G441-T516 PolarHBondContact O-N 3.16Å; G441-T516 PolarHBondContact O-OG1 3.24Å
442	T	91.1	Very high	92.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152	173.5	68.8	0	0	0	0	111.5	L440 A444 T447 I451 I488 A489 T490 N491 T516	L440-T442 HydrophobicContact CD2-CG2 3.47Å; L440-T442 VanDerWaalsContact CD2-CG2 3.47Å; T442-A444 PolarHBondContact OG1-O 3.36Å; T442-A444 VanDerWaalsContact OG1-O 3.11Å; T442-T447 HydrophobicContact CG2-CG2 3.93Å; T442-I451 HydrophobicContact CG2-CD1 4.01Å; T442-I488 HydrophobicContact CG2-CG2 4.26Å; T442-A489 PolarHBondContact N-O 2.99Å; T442-T490 CarbonylContact O-C 3.57Å; T442-T490 VanDerWaalsContact O-CA 3.31Å; T442-T490 WeakPolarHBondContact O-CA 3.4Å; T442-N491 PolarHBondContact O-N 3.3Å; T442-T516 HydrophobicContact CG2-CG2 4.15Å
443	V	84.2	Confident	92.5	Very high	59 Å²	59	39.4 Å²	39.4	36%	0.358	21%	0.211	S	C	.	.	S	Bend	trans	-80	-45.9	173.9	179.1	0	0	0	0	110.7	E517	V443-E517 HydrophobicContact CB-CG 4.19Å; V443-E517 VanDerWaalsContact CB-OE1 3.29Å; V443-E517 WeakPolarHBondContact CB-OE1 3.49Å; V443-E517 HydrophobicContact CG2-CG 3.33Å; V443-E517 WeakPolarHBondContact CG2-OE1 3.43Å; V443-E517 PolarHBondContact N-OE1 3.31Å
444	A	84	Confident	92.5	Very high	33 Å²	33	33 Å²	33	27%	0.273	18%	0.184	S	C	.	.	S	Bend	trans	-105.3	151.9	-176.4	0	0	0	0	0	112.8	T442 T447 S448	T442-A444 PolarHBondContact OG1-O 3.36Å; T442-A444 VanDerWaalsContact OG1-O 3.11Å; A444-T447 WeakPolarHBondContact O-CB 3.31Å; A444-T447 PolarHBondContact O-N 3.07Å; A444-S448 PolarHBondContact O-N 3.27Å
445	V	84.3	Confident	92.6	Very high	59 Å²	59	30 Å²	30	36%	0.358	16%	0.159	S	C	.	.	H	α-helix	trans	-69.9	-34.7	175.9	178.2	0	0	0	0	110.6	T447 S448 E449 N466 T490	V445-T447 PolarHBondContact O-N 3.11Å; V445-S448 PolarHBondContact O-N 3.16Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 3.21Å; V445-E449 PolarHBondContact O-N 3.16Å; V445-N466 HydrophobicContact CG1-CB 4.24Å; V445-T490 HydrophobicContact CG2-CG2 3.99Å
446	E	87.7	Confident	92.7	Very high	144 Å²	144	35.2 Å²	35.2	67%	0.673	18%	0.178	S	C	*	.	H	α-helix	trans	-61.5	-37.2	175.6	-62	76.2	-168.5	0	0	111	Y450	E446-Y450 VanDerWaalsContact O-CB 3.31Å; E446-Y450 WeakPolarHBondContact O-CB 3.27Å; E446-Y450 PolarHBondContact O-N 3.22Å
447	T	89.2	Confident	92.6	Very high	23 Å²	23	42.5 Å²	42.5	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-39.7	175.9	-58.2	0	0	0	0	111.4	F421 T442 A444 V445 Y450 I451	F421-T447 HydrophobicContact CE1-CG2 3.66Å; F421-T447 HydrophobicContact CZ-CG2 3.79Å; T442-T447 HydrophobicContact CG2-CG2 3.93Å; A444-T447 WeakPolarHBondContact O-CB 3.31Å; A444-T447 PolarHBondContact O-N 3.07Å; V445-T447 PolarHBondContact O-N 3.11Å; T447-Y450 PolarHBondContact O-N 3.37Å; T447-I451 HydrophobicContact CG2-CD1 3.92Å; T447-I451 HydrophobicContact CG2-CG1 4.49Å; T447-I451 VanDerWaalsContact O-CG1 3.32Å; T447-I451 WeakPolarHBondContact O-CG1 3.31Å; T447-I451 PolarHBondContact O-N 3.42Å
448	S	90.3	Very high	92.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.6	69.7	0	0	0	0	111.2	A444 V445 I451 S452 N466	A444-S448 PolarHBondContact O-N 3.27Å; V445-S448 PolarHBondContact O-N 3.16Å; V445-S448 VanDerWaalsContact O-N 3.16Å; V445-S448 PolarHBondContact O-OG 3.21Å; S448-I451 PolarHBondContact O-N 3.07Å; S448-S452 VanDerWaalsContact O-CB 3.3Å; S448-S452 WeakPolarHBondContact O-CB 3.5Å; S448-S452 PolarHBondContact O-N 3.38Å; S448-N466 PolarHBondContact OG-OD1 3.04Å; S448-N466 VanDerWaalsContact OG-OD1 3.07Å
449	E	92.1	Very high	92.3	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-39.9	176.8	-69.2	-60.6	152.7	0	0	112.5	V445 S452 N453 N466	V445-E449 PolarHBondContact O-N 3.16Å; E449-S452 WeakPolarHBondContact O-CB 3.47Å; E449-S452 PolarHBondContact O-N 2.66Å; E449-N453 VanDerWaalsContact O-CG 3.32Å; E449-N453 PolarHBondContact O-N 2.68Å; E449-N453 PolarHBondContact O-ND2 2.9Å; E449-N466 PolarHBondContact OE1-ND2 2.72Å
450	Y	93.9	Very high	92.2	Very high	98 Å²	98	52.2 Å²	52.2	38%	0.384	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-49.2	176.3	179.1	-104.2	0	0	0	111.6	F421 E446 T447 N453 L454	F421-Y450 HydrophobicContact CB-CE1 3.9Å; F421-Y450 AromaticContact CD2-CD1 3.87Å; F421-Y450 HydrophobicContact CD2-CD1 3.87Å; F421-Y450 AromaticContact CD2-CE1 3.4Å; F421-Y450 HydrophobicContact CD2-CE1 3.4Å; F421-Y450 VanDerWaalsContact CD2-CE1 3.4Å; F421-Y450 HydrophobicContact CE2-CD1 4.08Å; F421-Y450 HydrophobicContact CE2-CE1 4.01Å; F421-Y450 HydrophobicContact CG-CD1 4.11Å; F421-Y450 AromaticContact CG-CE1 3.73Å; F421-Y450 HydrophobicContact CG-CE1 3.73Å; E446-Y450 VanDerWaalsContact O-CB 3.31Å; E446-Y450 WeakPolarHBondContact O-CB 3.27Å; E446-Y450 PolarHBondContact O-N 3.22Å; T447-Y450 PolarHBondContact O-N 3.37Å; Y450-N453 PolarHBondContact O-N 3.16Å; Y450-L454 HydrophobicContact CD1-CD1 4.12Å; Y450-L454 HydrophobicContact CE1-CD1 3.52Å; Y450-L454 HydrophobicContact CE1-CG 4.27Å; Y450-L454 PolarHBondContact O-N 2.97Å; Y450-L454 VanDerWaalsContact O-N 3.16Å
451	I	94.5	Very high	92.2	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-40.2	178.2	-65.6	173	0	0	0	110.8	F421 L440 T442 T447 S448 N453 L454 L455 I488 T516	F421-I451 HydrophobicContact CD1-CD1 3.88Å; F421-I451 HydrophobicContact CD1-CG1 3.9Å; F421-I451 HydrophobicContact CE1-CD1 3.89Å; F421-I451 HydrophobicContact CE1-CG1 4.16Å; L440-I451 HydrophobicContact CD1-CD1 4.46Å; L440-I451 HydrophobicContact CD1-CG2 3.85Å; L440-I451 HydrophobicContact CD2-CD1 3.98Å; T442-I451 HydrophobicContact CG2-CD1 4.01Å; T447-I451 HydrophobicContact CG2-CD1 3.92Å; T447-I451 HydrophobicContact CG2-CG1 4.49Å; T447-I451 VanDerWaalsContact O-CG1 3.32Å; T447-I451 WeakPolarHBondContact O-CG1 3.31Å; T447-I451 PolarHBondContact O-N 3.42Å; S448-I451 PolarHBondContact O-N 3.07Å; I451-N453 VanDerWaalsContact C-N 3.26Å; I451-N453 PolarHBondContact O-N 3.11Å; I451-L454 PolarHBondContact O-N 3.28Å; I451-L454 VanDerWaalsContact O-N 3.07Å; I451-L455 HydrophobicContact CG2-CD1 4.28Å; I451-L455 HydrophobicContact CG2-CG 4.32Å; I451-L455 PolarHBondContact O-N 2.95Å; I451-I488 HydrophobicContact CB-CD1 4.31Å; I451-I488 HydrophobicContact CG2-CD1 3.86Å; I451-T516 HydrophobicContact CD1-CG2 3.52Å
452	S	95	Very high	92.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-53.5	-45.9	173.9	176.4	0	0	0	0	111.4	S448 E449 L454 L455 K456 H462	S448-S452 VanDerWaalsContact O-CB 3.3Å; S448-S452 WeakPolarHBondContact O-CB 3.5Å; S448-S452 PolarHBondContact O-N 3.38Å; E449-S452 WeakPolarHBondContact O-CB 3.47Å; E449-S452 PolarHBondContact O-N 2.66Å; S452-L454 PolarHBondContact O-N 3.38Å; S452-L455 PolarHBondContact O-N 3.41Å; S452-K456 WeakPolarHBondContact O-CB 3.49Å; S452-K456 WeakPolarHBondContact O-CG 3.44Å; S452-K456 PolarHBondContact O-N 3.21Å; S452-K456 WeakPolarHBondContact OG-CE 3.36Å; S452-K456 PolarHBondContact OG-NZ 3.06Å; S452-H462 VanDerWaalsContact CA-NE2 3.3Å; S452-H462 WeakPolarHBondContact CA-NE2 3.46Å; S452-H462 VanDerWaalsContact CB-NE2 3.33Å; S452-H462 WeakPolarHBondContact CB-NE2 3.39Å; S452-H462 PolarHBondContact O-CE1 2.94Å; S452-H462 VanDerWaalsContact O-CE1 3.24Å; S452-H462 PolarHBondContact OG-NE2 3.16Å
453	N	95.7	Very high	92.4	Very high	76 Å²	76	67.9 Å²	67.9	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-36.2	178.1	-73.2	-42.6	0	0	0	112.9	E449 Y450 I451 K457	E449-N453 VanDerWaalsContact O-CG 3.32Å; E449-N453 PolarHBondContact O-N 2.68Å; E449-N453 PolarHBondContact O-ND2 2.9Å; Y450-N453 PolarHBondContact O-N 3.16Å; I451-N453 VanDerWaalsContact C-N 3.26Å; I451-N453 PolarHBondContact O-N 3.11Å; N453-K457 WeakPolarHBondContact O-CG 3.29Å; N453-K457 PolarHBondContact O-N 2.97Å; N453-K457 VanDerWaalsContact O-N 3.15Å
454	L	95.3	Very high	92.7	Very high	25 Å²	25	67 Å²	67	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-67.4	-42.3	174	-64.5	178.9	0	0	0	112.1	F421 V425 Y450 I451 S452 K457 R458	F421-L454 HydrophobicContact CB-CD1 4.09Å; V425-L454 HydrophobicContact CG2-CB 3.69Å; V425-L454 HydrophobicContact CG2-CD1 3.96Å; Y450-L454 HydrophobicContact CD1-CD1 4.12Å; Y450-L454 HydrophobicContact CE1-CD1 3.52Å; Y450-L454 HydrophobicContact CE1-CG 4.27Å; Y450-L454 PolarHBondContact O-N 2.97Å; Y450-L454 VanDerWaalsContact O-N 3.16Å; I451-L454 PolarHBondContact O-N 3.28Å; I451-L454 VanDerWaalsContact O-N 3.07Å; S452-L454 PolarHBondContact O-N 3.38Å; L454-K457 WeakPolarHBondContact O-CB 3.35Å; L454-K457 PolarHBondContact O-N 3.19Å; L454-R458 PolarHBondContact O-N 3.05Å
455	L	96.4	Very high	92.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-40.3	176	-70.4	-178.7	0	0	0	112.2	V425 V428 I451 S452 K457 R458 G459 I460 H462 V486 I488	V425-L455 HydrophobicContact CG1-CD2 4.18Å; V425-L455 HydrophobicContact CG2-CD2 4.34Å; V428-L455 HydrophobicContact CB-CD2 4.12Å; V428-L455 HydrophobicContact CG1-CD1 4.33Å; V428-L455 HydrophobicContact CG1-CD2 3.72Å; I451-L455 HydrophobicContact CG2-CD1 4.28Å; I451-L455 HydrophobicContact CG2-CG 4.32Å; I451-L455 PolarHBondContact O-N 2.95Å; S452-L455 PolarHBondContact O-N 3.41Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.32Å; L455-R458 CarbonylContact O-C 3.51Å; L455-R458 WeakPolarHBondContact O-CA 3.2Å; L455-R458 PolarHBondContact O-N 3.29Å; L455-G459 PolarHBondContact O-N 2.97Å; L455-G459 VanDerWaalsContact O-N 3.1Å; L455-I460 HydrophobicContact CB-CB 4.31Å; L455-I460 HydrophobicContact CD2-CB 4.39Å; L455-I460 HydrophobicContact CD2-CG1 4.47Å; L455-I460 PolarHBondContact O-N 3.41Å; L455-H462 HydrophobicContact CD1-CB 4.38Å; L455-V486 HydrophobicContact CD1-CG1 4.06Å; L455-I488 HydrophobicContact CD1-CD1 3.85Å; L455-I488 HydrophobicContact CD1-CG1 4.45Å
456	K	95.9	Very high	92.2	Very high	121 Å²	121	64.7 Å²	64.7	53%	0.526	31%	0.308	S	S	.	.	H	α-helix	trans	-57.7	-44.5	173.2	-77.7	169.7	-169.8	157.3	0	111.2	S452 R458 G459	S452-K456 WeakPolarHBondContact O-CB 3.49Å; S452-K456 WeakPolarHBondContact O-CG 3.44Å; S452-K456 PolarHBondContact O-N 3.21Å; S452-K456 WeakPolarHBondContact OG-CE 3.36Å; S452-K456 PolarHBondContact OG-NZ 3.06Å; K456-R458 PolarHBondContact O-N 3.17Å; K456-G459 PolarHBondContact O-N 3.47Å
457	K	95.3	Very high	91	Very high	171 Å²	171	59.4 Å²	59.4	74%	0.743	29%	0.289	S	S	*	.	H	α-helix	trans	-62.6	-27.9	176	-72.6	171.7	-176.2	175.5	0	113	N453 L454 L455	N453-K457 WeakPolarHBondContact O-CG 3.29Å; N453-K457 PolarHBondContact O-N 2.97Å; N453-K457 VanDerWaalsContact O-N 3.15Å; L454-K457 WeakPolarHBondContact O-CB 3.35Å; L454-K457 PolarHBondContact O-N 3.19Å; L455-K457 VanDerWaalsContact C-N 3.32Å; L455-K457 PolarHBondContact O-N 3.32Å
458	R	94.6	Very high	89.9	Confident	130 Å²	130	66.8 Å²	66.8	49%	0.491	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.1	174	-66	-63.7	-165.5	110.2	7.1	113.7	V425 E426 V429 L454 L455 K456 I460	V425-R458 HydrophobicContact CG1-CG 3.88Å; E426-R458 IonicContact OE2-CZ 3.22Å; E426-R458 IonicContact OE2-NH1 2.81Å; E426-R458 PolarHBondContact OE2-NH1 2.95Å; E426-R458 IonicContact OE2-NH2 2.82Å; E426-R458 PolarHBondContact OE2-NH2 3.37Å; E426-R458 VanDerWaalsContact OE2-NH2 3.1Å; V429-R458 HydrophobicContact CG2-CB 4.19Å; V429-R458 HydrophobicContact CG2-CG 4.42Å; L454-R458 PolarHBondContact O-N 3.05Å; L455-R458 CarbonylContact O-C 3.51Å; L455-R458 WeakPolarHBondContact O-CA 3.2Å; L455-R458 PolarHBondContact O-N 3.29Å; K456-R458 PolarHBondContact O-N 3.17Å; R458-I460 VanDerWaalsContact C-N 3.34Å; R458-I460 HydrophobicContact CB-CG1 4.25Å
459	G	93.4	Very high	88.7	Confident	64 Å²	64	70.9 Å²	70.9	66%	0.66	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	17	178.6	0	0	0	0	0	114.8	L455 K456	L455-G459 PolarHBondContact O-N 2.97Å; L455-G459 VanDerWaalsContact O-N 3.1Å; K456-G459 PolarHBondContact O-N 3.47Å
460	I	94.8	Very high	87.6	Confident	16 Å²	16	71.8 Å²	71.8	8%	0.082	35%	0.345	C	S	.	.			trans	-87.8	119.2	180	-55.4	-64	0	0	0	109.4	V429 L455 R458 H462 V486	V429-I460 HydrophobicContact CG2-CD1 4.09Å; V429-I460 HydrophobicContact CG2-CG1 3.84Å; L455-I460 HydrophobicContact CB-CB 4.31Å; L455-I460 HydrophobicContact CD2-CB 4.39Å; L455-I460 HydrophobicContact CD2-CG1 4.47Å; L455-I460 PolarHBondContact O-N 3.41Å; R458-I460 VanDerWaalsContact C-N 3.34Å; R458-I460 HydrophobicContact CB-CG1 4.25Å; I460-H462 PolarHBondContact O-ND1 3.2Å; I460-V486 HydrophobicContact CG2-CB 4.38Å; I460-V486 HydrophobicContact CG2-CG2 3.99Å
461	R	94.3	Very high	86.6	Confident	225 Å²	225	73 Å²	73	85%	0.849	35%	0.354	S	S	*	.			trans	-73.4	133.1	171	-65.2	-174.4	-175.7	179.1	1.3	109.1
462	H	95.9	Very high	85.7	Confident	29 Å²	29	80.7 Å²	80.7	13%	0.134	38%	0.383	C	S	.	.			trans	-155.4	160.1	-178.3	59.2	-86.1	0	0	0	110.1	S452 L455 I460 V486	S452-H462 VanDerWaalsContact CA-NE2 3.3Å; S452-H462 WeakPolarHBondContact CA-NE2 3.46Å; S452-H462 VanDerWaalsContact CB-NE2 3.33Å; S452-H462 WeakPolarHBondContact CB-NE2 3.39Å; S452-H462 PolarHBondContact O-CE1 2.94Å; S452-H462 VanDerWaalsContact O-CE1 3.24Å; S452-H462 PolarHBondContact OG-NE2 3.16Å; L455-H462 HydrophobicContact CD1-CB 4.38Å; I460-H462 PolarHBondContact O-ND1 3.2Å; H462-V486 CarbonylContact C-O 3.59Å; H462-V486 WeakPolarHBondContact CA-O 3.28Å; H462-V486 HydrophobicContact CB-CB 3.81Å; H462-V486 HydrophobicContact CB-CG1 3.72Å; H462-V486 WeakPolarHBondContact CB-O 3.21Å
463	D	94	Very high	84.9	Confident	79 Å²	79	81.3 Å²	81.3	42%	0.422	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.5	172.4	-64.9	-66.2	0	0	0	110.2	I476 V486 I488	D463-I476 HydrophobicContact CB-CG2 3.57Å; D463-V486 PolarHBondContact N-O 3.04Å; D463-I488 PolarHBondContact O-N 3.14Å
464	V	90.5	Very high	84.1	Confident	42 Å²	42	78.1 Å²	78.1	26%	0.255	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.9	178.7	-173.8	0	0	0	0	108.6	N466 I488	V464-N466 WeakPolarHBondContact CG1-OD1 3.26Å; V464-I488 WeakPolarHBondContact CA-O 2.97Å; V464-I488 HydrophobicContact CG1-CB 4.49Å; V464-I488 HydrophobicContact CG1-CG2 4.39Å; V464-I488 HydrophobicContact CG2-CB 4.39Å; V464-I488 HydrophobicContact CG2-CD1 4.33Å
465	L	85.2	Confident	83.5	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.8	-178.6	-55.7	150.6	0	0	0	109.2	E473 I476 V477 T487 I488 A489 T490 A493	L465-E473 HydrophobicContact CB-CG 4.47Å; L465-E473 HydrophobicContact CD2-CB 3.78Å; L465-E473 HydrophobicContact CD2-CG 3.57Å; L465-I476 HydrophobicContact CD1-CG2 4.24Å; L465-I476 HydrophobicContact CD2-CB 3.8Å; L465-I476 HydrophobicContact CD2-CD1 3.94Å; L465-I476 HydrophobicContact CD2-CG1 4.49Å; L465-I476 HydrophobicContact CD2-CG2 3.69Å; L465-I476 HydrophobicContact CG-CG2 4.11Å; L465-V477 HydrophobicContact CD1-CG2 3.56Å; L465-V477 HydrophobicContact CD2-CG2 4.17Å; L465-T487 HydrophobicContact CD1-CG2 3.39Å; L465-T487 HydrophobicContact CG-CG2 4.27Å; L465-I488 PolarHBondContact N-O 2.66Å; L465-A489 HydrophobicContact CD1-CB 3.79Å; L465-T490 PolarHBondContact O-N 3.1Å; L465-A493 HydrophobicContact CB-CB 3.7Å
466	N	71.1	Confident	83	Confident	40 Å²	40	85.2 Å²	85.2	21%	0.214	40%	0.404	C	S	.	.			trans	-115.7	18.5	-174.5	-66.5	-16.2	0	0	0	113.2	V445 S448 E449 V464 K468	V445-N466 HydrophobicContact CG1-CB 4.24Å; S448-N466 PolarHBondContact OG-OD1 3.04Å; S448-N466 VanDerWaalsContact OG-OD1 3.07Å; E449-N466 PolarHBondContact OE1-ND2 2.72Å; V464-N466 WeakPolarHBondContact CG1-OD1 3.26Å; N466-K468 VanDerWaalsContact C-N 3.34Å; N466-K468 PolarHBondContact O-N 3.45Å
467	A	64.3	Low	82.5	Confident	34 Å²	34	79.7 Å²	79.7	28%	0.281	38%	0.38	S	S	.	.	S	Bend	trans	63.8	23.3	178.6	0	0	0	0	0	116.5	E473	A467-E473 WeakPolarHBondContact CA-OE1 3.39Å; A467-E473 PolarHBondContact N-OE1 3.41Å
468	K	64.3	Low	81.9	Confident	178 Å²	178	73.8 Å²	73.8	77%	0.774	36%	0.363	S	S	*	.	S	Bend	trans	-97.9	-27.5	-177.4	-68.9	-171.3	176.8	-173.3	0	114.8	N466 E473	N466-K468 VanDerWaalsContact C-N 3.34Å; N466-K468 PolarHBondContact O-N 3.45Å; K468-E473 PolarHBondContact N-OE1 3.34Å
469	N	66.8	Low	81.7	Confident	85 Å²	85	69 Å²	69	46%	0.455	35%	0.354	S	S	.	.			trans	-138	95.8	-176	-175	-28.7	0	0	0	110.7	E471 R472 E473	N469-E471 PolarHBondContact O-N 3.39Å; N469-E471 PolarHBondContact OD1-N 3.27Å; N469-R472 HydrophobicContact CB-CB 4.45Å; N469-R472 PolarHBondContact O-N 3.45Å; N469-R472 PolarHBondContact OD1-N 3.15Å; N469-E473 PolarHBondContact N-OE1 3.44Å; N469-E473 VanDerWaalsContact N-OE1 3.11Å; N469-E473 VanDerWaalsContact O-CB 3.29Å; N469-E473 WeakPolarHBondContact O-CB 3.3Å; N469-E473 WeakPolarHBondContact O-CG 3.42Å; N469-E473 PolarHBondContact O-N 3.19Å
470	H	69.1	Low	81.7	Confident	91 Å²	91	65.9 Å²	65.9	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-38.8	-171.6	-59.8	-45.9	0	0	0	114.6	E473 A474	H470-E473 IonicContact ND1-OE2 3.62Å; H470-E473 PolarHBondContact O-N 3.07Å; H470-A474 WeakPolarHBondContact O-CB 3.34Å; H470-A474 PolarHBondContact O-N 2.94Å
471	E	71.2	Confident	81.6	Confident	124 Å²	124	65.1 Å²	65.1	58%	0.579	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-53.7	179.2	-72	-179.6	-179.4	0	0	110.9	Y138 N469 E473 A474 E475	Y138-E471 HydrophobicContact CD2-CG 3.6Å; Y138-E471 HydrophobicContact CE2-CB 4.47Å; Y138-E471 HydrophobicContact CE2-CG 3.68Å; Y138-E471 HydrophobicContact CG-CG 4.44Å; N469-E471 PolarHBondContact O-N 3.39Å; N469-E471 PolarHBondContact OD1-N 3.27Å; E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 3.39Å; E471-A474 PolarHBondContact O-N 3.13Å; E471-E475 PolarHBondContact O-N 3.39Å
472	R	77.1	Confident	81.6	Confident	162 Å²	162	58.8 Å²	58.8	61%	0.611	30%	0.298	S	S	*	.	H	α-helix	trans	-64.2	-35.7	178.8	-174.9	177.7	176	-170.4	-2.9	111.8	N469 E475 I476	N469-R472 HydrophobicContact CB-CB 4.45Å; N469-R472 PolarHBondContact O-N 3.45Å; N469-R472 PolarHBondContact OD1-N 3.15Å; R472-E475 PolarHBondContact O-N 2.66Å; R472-I476 HydrophobicContact CG-CD1 3.98Å; R472-I476 WeakPolarHBondContact O-CD1 3.32Å; R472-I476 VanDerWaalsContact O-CG1 3.29Å; R472-I476 WeakPolarHBondContact O-CG1 3.32Å; R472-I476 PolarHBondContact O-N 3.09Å; R472-I476 VanDerWaalsContact O-N 3.11Å
473	E	78.3	Confident	81.6	Confident	13 Å²	13	63.9 Å²	63.9	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-40.6	176.5	-74.6	169.6	-165.7	0	0	111.9	L465 A467 K468 N469 H470 E471 E475 I476 V477	L465-E473 HydrophobicContact CB-CG 4.47Å; L465-E473 HydrophobicContact CD2-CB 3.78Å; L465-E473 HydrophobicContact CD2-CG 3.57Å; A467-E473 WeakPolarHBondContact CA-OE1 3.39Å; A467-E473 PolarHBondContact N-OE1 3.41Å; K468-E473 PolarHBondContact N-OE1 3.34Å; N469-E473 PolarHBondContact N-OE1 3.44Å; N469-E473 VanDerWaalsContact N-OE1 3.11Å; N469-E473 VanDerWaalsContact O-CB 3.29Å; N469-E473 WeakPolarHBondContact O-CB 3.3Å; N469-E473 WeakPolarHBondContact O-CG 3.42Å; N469-E473 PolarHBondContact O-N 3.19Å; H470-E473 IonicContact ND1-OE2 3.62Å; H470-E473 PolarHBondContact O-N 3.07Å; E471-E473 VanDerWaalsContact C-N 3.28Å; E471-E473 PolarHBondContact O-N 3.39Å; E473-E475 VanDerWaalsContact C-N 3.34Å; E473-E475 PolarHBondContact O-N 2.89Å; E473-I476 PolarHBondContact O-N 3.33Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 WeakPolarHBondContact O-CG2 3.42Å; E473-V477 PolarHBondContact O-N 3.38Å
474	A	77.3	Confident	81.6	Confident	10 Å²	10	60.9 Å²	60.9	8%	0.083	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-42.8	176.3	0	0	0	0	0	111.5	Y138 H470 E471 V477 A478 T497	Y138-A474 HydrophobicContact CE1-CB 3.93Å; H470-A474 WeakPolarHBondContact O-CB 3.34Å; H470-A474 PolarHBondContact O-N 2.94Å; E471-A474 PolarHBondContact O-N 3.13Å; A474-V477 PolarHBondContact O-N 2.91Å; A474-A478 VanDerWaalsContact O-CB 3.32Å; A474-A478 WeakPolarHBondContact O-CB 3.33Å; A474-A478 PolarHBondContact O-N 3.45Å; A474-T497 HydrophobicContact CB-CG2 4.3Å; A474-T497 WeakPolarHBondContact O-CG2 3.35Å
475	E	82.6	Confident	81.9	Confident	146 Å²	146	60 Å²	60	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-46.4	176.2	-68.3	-178.4	170.1	0	0	112.4	E471 R472 E473 A478 G479	E471-E475 PolarHBondContact O-N 3.39Å; R472-E475 PolarHBondContact O-N 2.66Å; E473-E475 VanDerWaalsContact C-N 3.34Å; E473-E475 PolarHBondContact O-N 2.89Å; E475-A478 PolarHBondContact O-N 3.09Å; E475-G479 PolarHBondContact O-N 3.23Å; E475-G479 VanDerWaalsContact O-N 3.15Å
476	I	85.9	Confident	82.4	Confident	28 Å²	28	60.1 Å²	60.1	14%	0.144	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-45	179.2	-68.3	165.6	0	0	0	110.6	D463 L465 R472 E473 G479 A480 T487	D463-I476 HydrophobicContact CB-CG2 3.57Å; L465-I476 HydrophobicContact CD1-CG2 4.24Å; L465-I476 HydrophobicContact CD2-CB 3.8Å; L465-I476 HydrophobicContact CD2-CD1 3.94Å; L465-I476 HydrophobicContact CD2-CG1 4.49Å; L465-I476 HydrophobicContact CD2-CG2 3.69Å; L465-I476 HydrophobicContact CG-CG2 4.11Å; R472-I476 HydrophobicContact CG-CD1 3.98Å; R472-I476 WeakPolarHBondContact O-CD1 3.32Å; R472-I476 VanDerWaalsContact O-CG1 3.29Å; R472-I476 WeakPolarHBondContact O-CG1 3.32Å; R472-I476 PolarHBondContact O-N 3.09Å; R472-I476 VanDerWaalsContact O-N 3.11Å; E473-I476 PolarHBondContact O-N 3.33Å; I476-G479 CarbonylContact O-C 3.41Å; I476-G479 WeakPolarHBondContact O-CA 3.3Å; I476-G479 PolarHBondContact O-N 2.84Å; I476-G479 VanDerWaalsContact O-N 3.1Å; I476-A480 PolarHBondContact O-N 2.96Å; I476-A480 VanDerWaalsContact O-N 3.08Å; I476-T487 HydrophobicContact CG2-CG2 4.07Å
477	V	85.9	Confident	83.6	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-39.8	-178.6	173.1	0	0	0	0	110.9	L465 E473 A474 G479 A480 T497 I499	L465-V477 HydrophobicContact CD1-CG2 3.56Å; L465-V477 HydrophobicContact CD2-CG2 4.17Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 WeakPolarHBondContact O-CG2 3.42Å; E473-V477 PolarHBondContact O-N 3.38Å; A474-V477 PolarHBondContact O-N 2.91Å; V477-G479 PolarHBondContact O-N 2.84Å; V477-A480 VanDerWaalsContact O-CB 3.26Å; V477-A480 WeakPolarHBondContact O-CB 3.31Å; V477-A480 PolarHBondContact O-N 3.21Å; V477-T497 HydrophobicContact CB-CG2 4.09Å; V477-T497 HydrophobicContact CG1-CG2 3.96Å; V477-I499 HydrophobicContact CG1-CD1 4.05Å; V477-I499 HydrophobicContact CG1-CG1 3.82Å; V477-I499 WeakPolarHBondContact O-CG1 3.22Å
478	A	84.1	Confident	85.1	Confident	46 Å²	46	56.6 Å²	56.6	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-33	173	0	0	0	0	0	112.1	A474 E475 T497	A474-A478 VanDerWaalsContact O-CB 3.32Å; A474-A478 WeakPolarHBondContact O-CB 3.33Å; A474-A478 PolarHBondContact O-N 3.45Å; E475-A478 PolarHBondContact O-N 3.09Å; A478-T497 HydrophobicContact CB-CG2 4.36Å
479	G	89.5	Confident	86.3	Confident	29 Å²	29	48.5 Å²	48.5	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-79	-12.5	174.4	0	0	0	0	0	115.6	E475 I476 V477 G481 Q482	E475-G479 PolarHBondContact O-N 3.23Å; E475-G479 VanDerWaalsContact O-N 3.15Å; I476-G479 CarbonylContact O-C 3.41Å; I476-G479 WeakPolarHBondContact O-CA 3.3Å; I476-G479 PolarHBondContact O-N 2.84Å; I476-G479 VanDerWaalsContact O-N 3.1Å; V477-G479 PolarHBondContact O-N 2.84Å; G479-G481 PolarHBondContact O-N 2.98Å; G479-G481 VanDerWaalsContact O-N 3.09Å; G479-Q482 WeakPolarHBondContact O-CB 3.17Å; G479-Q482 VanDerWaalsContact O-CG 3.3Å; G479-Q482 WeakPolarHBondContact O-CG 3.22Å; G479-Q482 PolarHBondContact O-N 2.96Å; G479-Q482 VanDerWaalsContact O-N 3.08Å
480	A	92.6	Very high	87.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	-173.4	0	0	0	0	0	113.9	P437 I476 V477 T487 I499	P437-A480 VanDerWaalsContact CB-O 3.31Å; P437-A480 WeakPolarHBondContact CB-O 3.5Å; I476-A480 PolarHBondContact O-N 2.96Å; I476-A480 VanDerWaalsContact O-N 3.08Å; V477-A480 VanDerWaalsContact O-CB 3.26Å; V477-A480 WeakPolarHBondContact O-CB 3.31Å; V477-A480 PolarHBondContact O-N 3.21Å; A480-T487 HydrophobicContact CB-CG2 4.36Å; A480-T487 WeakPolarHBondContact CB-OG1 3.48Å; A480-I499 HydrophobicContact CB-CD1 4.23Å; A480-I499 HydrophobicContact CB-CG2 4.18Å
481	G	93.1	Very high	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.1	177.3	0	0	0	0	0	114.7	G479 K500 G502	G479-G481 PolarHBondContact O-N 2.98Å; G479-G481 VanDerWaalsContact O-N 3.09Å; G481-K500 WeakPolarHBondContact CA-O 3.49Å; G481-G502 PolarHBondContact O-N 3.47Å
482	Q	95.6	Very high	86.7	Confident	91 Å²	91	41.3 Å²	41.3	43%	0.425	22%	0.215	S	C	.	.	S	Bend	trans	-80.6	148.5	-178.8	-60.6	-54.6	-42.4	0	0	112.2	P437 G479 G484 A485	P437-Q482 WeakPolarHBondContact CB-O 3.39Å; G479-Q482 WeakPolarHBondContact O-CB 3.17Å; G479-Q482 VanDerWaalsContact O-CG 3.3Å; G479-Q482 WeakPolarHBondContact O-CG 3.22Å; G479-Q482 PolarHBondContact O-N 2.96Å; G479-Q482 VanDerWaalsContact O-N 3.08Å; Q482-G484 PolarHBondContact O-N 3.37Å; Q482-A485 HydrophobicContact CB-CB 4.5Å; Q482-A485 WeakPolarHBondContact O-CB 3.49Å; Q482-A485 PolarHBondContact O-N 3.24Å
483	K	95.5	Very high	86.1	Confident	137 Å²	137	34 Å²	34	60%	0.596	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	123.7	-177.2	-173.2	175.9	179.7	166.9	0	112	G435 A485 V505 L508	G435-K483 VanDerWaalsContact O-CG 3.31Å; G435-K483 WeakPolarHBondContact O-CG 3.39Å; K483-A485 VanDerWaalsContact C-N 3.26Å; K483-A485 PolarHBondContact O-N 2.92Å; K483-V505 HydrophobicContact CB-CG2 4.03Å; K483-L508 HydrophobicContact CD-CD1 4.23Å; K483-L508 HydrophobicContact CG-CD1 4Å
484	G	94.1	Very high	85.3	Confident	16 Å²	16	33.7 Å²	33.7	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	3.4	-179.8	0	0	0	0	0	115.4	H432 G435 Q482	H432-G484 PolarHBondContact CE1-O 2.94Å; H432-G484 PolarHBondContact ND1-O 3.4Å; G435-G484 PolarHBondContact O-N 2.82Å; Q482-G484 PolarHBondContact O-N 3.37Å
485	A	95.8	Very high	85	Confident	24 Å²	24	34.3 Å²	34.3	20%	0.198	19%	0.19	C	C	.	.			trans	-63.9	137.4	175.9	0	0	0	0	0	111	P437 V438 Q482 K483	P437-A485 CarbonylContact C-O 3.58Å; P437-A485 VanDerWaalsContact CA-O 3.27Å; P437-A485 WeakPolarHBondContact CA-O 3.22Å; P437-A485 HydrophobicContact CB-CB 4.42Å; V438-A485 PolarHBondContact N-O 2.95Å; Q482-A485 HydrophobicContact CB-CB 4.5Å; Q482-A485 WeakPolarHBondContact O-CB 3.49Å; Q482-A485 PolarHBondContact O-N 3.24Å; K483-A485 VanDerWaalsContact C-N 3.26Å; K483-A485 PolarHBondContact O-N 2.92Å
486	V	97.2	Very high	84.3	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116.5	172.3	179.4	0	0	0	0	107	V428 H432 V438 L455 I460 H462 D463	V428-V486 HydrophobicContact CG1-CG1 3.73Å; V428-V486 HydrophobicContact CG1-CG2 4.21Å; H432-V486 HydrophobicContact CB-CG2 4.07Å; H432-V486 WeakPolarHBondContact ND1-CG2 3.4Å; V438-V486 WeakPolarHBondContact O-CA 3.34Å; L455-V486 HydrophobicContact CD1-CG1 4.06Å; I460-V486 HydrophobicContact CG2-CB 4.38Å; I460-V486 HydrophobicContact CG2-CG2 3.99Å; H462-V486 CarbonylContact C-O 3.59Å; H462-V486 WeakPolarHBondContact CA-O 3.28Å; H462-V486 HydrophobicContact CB-CB 3.81Å; H462-V486 HydrophobicContact CB-CG1 3.72Å; H462-V486 WeakPolarHBondContact CB-O 3.21Å; D463-V486 PolarHBondContact N-O 3.04Å
487	T	95.7	Very high	83.8	Confident	1 Å²	1	29 Å²	29	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.9	-176.2	-55.5	0	0	0	0	109.1	V438 L439 L440 L465 I476 A480	V438-T487 PolarHBondContact O-N 2.68Å; L439-T487 CarbonylContact C-O 3.49Å; L439-T487 WeakPolarHBondContact CA-O 3.44Å; L439-T487 HydrophobicContact CD1-CG2 3.9Å; L440-T487 PolarHBondContact N-O 3.27Å; L465-T487 HydrophobicContact CD1-CG2 3.39Å; L465-T487 HydrophobicContact CG-CG2 4.27Å; I476-T487 HydrophobicContact CG2-CG2 4.07Å; A480-T487 HydrophobicContact CB-CG2 4.36Å; A480-T487 WeakPolarHBondContact CB-OG1 3.48Å
488	I	94.7	Very high	83.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.7	171.9	-61.7	177	0	0	0	107.4	L440 T442 I451 L455 D463 V464 L465	L440-I488 HydrophobicContact CB-CG1 4.39Å; L440-I488 HydrophobicContact CD2-CG1 4.35Å; L440-I488 HydrophobicContact CD2-CG2 4.11Å; L440-I488 CarbonylContact O-C 3.48Å; L440-I488 WeakPolarHBondContact O-CA 3.42Å; T442-I488 HydrophobicContact CG2-CG2 4.26Å; I451-I488 HydrophobicContact CB-CD1 4.31Å; I451-I488 HydrophobicContact CG2-CD1 3.86Å; L455-I488 HydrophobicContact CD1-CD1 3.85Å; L455-I488 HydrophobicContact CD1-CG1 4.45Å; D463-I488 PolarHBondContact O-N 3.14Å; V464-I488 WeakPolarHBondContact CA-O 2.97Å; V464-I488 HydrophobicContact CG1-CB 4.49Å; V464-I488 HydrophobicContact CG1-CG2 4.39Å; V464-I488 HydrophobicContact CG2-CB 4.39Å; V464-I488 HydrophobicContact CG2-CD1 4.33Å; L465-I488 PolarHBondContact N-O 2.66Å
489	A	90.8	Very high	83.4	Confident	7 Å²	7	29.9 Å²	29.9	6%	0.058	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.7	179.2	0	0	0	0	0	110.5	L439 L440 G441 T442 L465 A493	L439-A489 HydrophobicContact CD1-CB 4.02Å; L440-A489 PolarHBondContact O-N 3.05Å; G441-A489 CarbonylContact C-O 3.58Å; G441-A489 VanDerWaalsContact CA-O 3.27Å; G441-A489 WeakPolarHBondContact CA-O 3.4Å; T442-A489 PolarHBondContact N-O 2.99Å; L465-A489 HydrophobicContact CD1-CB 3.79Å; A489-A493 HydrophobicContact CB-CB 4.28Å
490	T	83.4	Confident	83.4	Confident	13 Å²	13	35.5 Å²	35.5	8%	0.08	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	156.8	160.1	60.4	0	0	0	0	109.7	T442 V445 L465 M492 A493	T442-T490 CarbonylContact O-C 3.57Å; T442-T490 VanDerWaalsContact O-CA 3.31Å; T442-T490 WeakPolarHBondContact O-CA 3.4Å; V445-T490 HydrophobicContact CG2-CG2 3.99Å; L465-T490 PolarHBondContact O-N 3.1Å; T490-M492 PolarHBondContact O-N 3.05Å; T490-A493 PolarHBondContact O-N 2.9Å
491	N	69.3	Low	83.3	Confident	26 Å²	26	37.4 Å²	37.4	14%	0.139	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-21.8	-178.3	-72.5	-25.5	0	0	0	115.1	T442 I524	T442-N491 PolarHBondContact O-N 3.3Å; N491-I524 HydrophobicContact CB-CG2 3.71Å
492	M	61.4	Low	83.2	Confident	111 Å²	111	38 Å²	38	55%	0.547	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-17.9	178.5	-66.6	-178.3	65.6	0	0	113.9	T490 R495	T490-M492 PolarHBondContact O-N 3.05Å; M492-R495 WeakPolarHBondContact O-CG 3.08Å
493	A	65.4	Low	83	Confident	7 Å²	7	42.7 Å²	42.7	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	141.9	-175.7	0	0	0	0	0	112.5	L465 A489 T490 R495	L465-A493 HydrophobicContact CB-CB 3.7Å; A489-A493 HydrophobicContact CB-CB 4.28Å; T490-A493 PolarHBondContact O-N 2.9Å; A493-R495 VanDerWaalsContact C-N 3.26Å; A493-R495 PolarHBondContact O-N 3.07Å
494	G	62.2	Low	82.8	Confident	7 Å²	7	37.6 Å²	37.6	7%	0.072	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	19.7	176.7	0	0	0	0	0	115.5	T497 R531	G494-T497 PolarHBondContact O-N 3.24Å; G494-R531 VanDerWaalsContact O-CZ 3.24Å; G494-R531 PolarHBondContact O-NH1 3.08Å; G494-R531 PolarHBondContact O-NH2 2.9Å
495	R	69.4	Low	82.8	Confident	23 Å²	23	36.8 Å²	36.8	9%	0.087	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	138.1	170.3	-78.4	-174.1	171.6	-168.6	-2	110.3	S217 D221 M492 A493 T497 R531	S217-R495 PolarHBondContact OG-NH1 3.48Å; D221-R495 IonicContact OD2-NH1 2.7Å; M492-R495 WeakPolarHBondContact O-CG 3.08Å; A493-R495 VanDerWaalsContact C-N 3.26Å; A493-R495 PolarHBondContact O-N 3.07Å; R495-T497 VanDerWaalsContact C-N 3.26Å; R495-T497 PolarHBondContact O-N 3.35Å; R495-R531 VanDerWaalsContact CA-NH2 3.33Å
496	G	68.3	Low	82.6	Confident	38 Å²	38	39.3 Å²	39.3	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-19.6	-175	0	0	0	0	0	116.2
497	T	75.3	Confident	82.3	Confident	24 Å²	24	46.1 Å²	46.1	15%	0.147	25%	0.246	C	C	.	.			trans	-83.7	135.2	-177.8	-43.9	0	0	0	0	113.1	A474 V477 A478 G494 R495 R531	A474-T497 HydrophobicContact CB-CG2 4.3Å; A474-T497 WeakPolarHBondContact O-CG2 3.35Å; V477-T497 HydrophobicContact CB-CG2 4.09Å; V477-T497 HydrophobicContact CG1-CG2 3.96Å; A478-T497 HydrophobicContact CB-CG2 4.36Å; G494-T497 PolarHBondContact O-N 3.24Å; R495-T497 VanDerWaalsContact C-N 3.26Å; R495-T497 PolarHBondContact O-N 3.35Å; T497-R531 PolarHBondContact O-NH1 2.79Å
498	D	76.1	Confident	82.2	Confident	67 Å²	67	48.7 Å²	48.7	36%	0.358	26%	0.26	S	S	.	.			trans	-83.9	141	176.1	-164.9	24.5	0	0	0	113.1	R534	D498-R534 VanDerWaalsContact CA-NH1 3.34Å; D498-R534 VanDerWaalsContact OD1-CD 3.24Å; D498-R534 WeakPolarHBondContact OD1-CD 3.47Å; D498-R534 IonicContact OD1-CZ 3.72Å; D498-R534 IonicContact OD1-NE 3.33Å; D498-R534 IonicContact OD1-NH1 2.78Å; D498-R534 PolarHBondContact OD1-NH1 3.04Å
499	I	86.8	Confident	82.1	Confident	4 Å²	4	50 Å²	50	2%	0.021	27%	0.273	C	S	.	.			trans	-112.1	106.2	176.8	-51	-177.9	0	0	0	107.3	L439 V477 A480 L511 R531	L439-I499 HydrophobicContact CD2-CD1 3.91Å; V477-I499 HydrophobicContact CG1-CD1 4.05Å; V477-I499 HydrophobicContact CG1-CG1 3.82Å; V477-I499 WeakPolarHBondContact O-CG1 3.22Å; A480-I499 HydrophobicContact CB-CD1 4.23Å; A480-I499 HydrophobicContact CB-CG2 4.18Å; I499-L511 HydrophobicContact CD1-CD2 4.06Å; I499-L511 HydrophobicContact CG2-CD2 4.07Å; I499-R531 HydrophobicContact CD1-CB 4.13Å
500	K	87.7	Confident	82.2	Confident	147 Å²	147	49.7 Å²	49.7	64%	0.639	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-91.4	134	177.4	-64	-177.3	-177.6	175.8	0	110	G481 G502	G481-K500 WeakPolarHBondContact CA-O 3.49Å; K500-G502 PolarHBondContact O-N 3.33Å
501	L	91.3	Very high	82.9	Confident	40 Å²	40	49.1 Å²	49.1	21%	0.209	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-68.7	130	174.6	-59.4	-171.5	0	0	0	110	V505 L511 D537	L501-V505 HydrophobicContact CB-CB 4.28Å; L501-V505 HydrophobicContact CB-CG1 4.19Å; L501-V505 HydrophobicContact CD1-CG1 4.43Å; L501-V505 HydrophobicContact CD2-CG1 3.92Å; L501-V505 HydrophobicContact CG-CG1 4.4Å; L501-L511 HydrophobicContact CD2-CB 3.78Å; L501-D537 HydrophobicContact CD1-CB 3.77Å
502	G	90.8	Very high	84.2	Confident	13 Å²	13	47.9 Å²	47.9	13%	0.134	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-70.2	172.4	172.4	0	0	0	0	0	112.8	G481 K500 G504 V505	G481-G502 PolarHBondContact O-N 3.47Å; K500-G502 PolarHBondContact O-N 3.33Å; G502-G504 PolarHBondContact O-N 2.91Å; G502-V505 WeakPolarHBondContact O-CB 3.37Å; G502-V505 WeakPolarHBondContact O-CG2 3.35Å; G502-V505 PolarHBondContact O-N 2.81Å
503	E	91.2	Very high	85.8	Confident	188 Å²	188	42.6 Å²	42.6	88%	0.879	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	133.9	177.6	-169.6	-178	175.7	0	0	111.7	V505	E503-V505 PolarHBondContact O-N 3.2Å
504	G	91.8	Very high	87.3	Confident	30 Å²	30	42.3 Å²	42.3	31%	0.309	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-0.5	178.2	0	0	0	0	0	115.1	G502 E507 L508	G502-G504 PolarHBondContact O-N 2.91Å; G504-E507 WeakPolarHBondContact CA-OE2 3.47Å; G504-L508 WeakPolarHBondContact O-CG 3.35Å
505	V	93.7	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-32.8	-176.5	170.8	0	0	0	0	111.9	P437 K483 L501 G502 E503 E507 L508 G509 G510	P437-V505 HydrophobicContact CG-CG1 3.44Å; P437-V505 VanDerWaalsContact CG-CG1 3.44Å; P437-V505 HydrophobicContact CG-CG2 4.32Å; K483-V505 HydrophobicContact CB-CG2 4.03Å; L501-V505 HydrophobicContact CB-CB 4.28Å; L501-V505 HydrophobicContact CB-CG1 4.19Å; L501-V505 HydrophobicContact CD1-CG1 4.43Å; L501-V505 HydrophobicContact CD2-CG1 3.92Å; L501-V505 HydrophobicContact CG-CG1 4.4Å; G502-V505 WeakPolarHBondContact O-CB 3.37Å; G502-V505 WeakPolarHBondContact O-CG2 3.35Å; G502-V505 PolarHBondContact O-N 2.81Å; E503-V505 PolarHBondContact O-N 3.2Å; V505-E507 VanDerWaalsContact C-N 3.28Å; V505-E507 PolarHBondContact O-N 3.34Å; V505-L508 WeakPolarHBondContact O-CB 3.37Å; V505-L508 PolarHBondContact O-N 3.18Å; V505-L508 VanDerWaalsContact O-N 3.09Å; V505-G509 PolarHBondContact O-N 2.9Å; V505-G510 WeakPolarHBondContact O-CA 3.29Å; V505-G510 PolarHBondContact O-N 2.61Å
506	E	91.5	Very high	90.1	Very high	77 Å²	77	40.9 Å²	40.9	36%	0.36	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.3	178.3	-164.7	-175.4	167.6	0	0	111.4	L508 G509 K538	E506-L508 VanDerWaalsContact C-N 3.28Å; E506-L508 PolarHBondContact O-N 2.81Å; E506-G509 PolarHBondContact O-N 3.34Å; E506-G509 VanDerWaalsContact O-N 3.13Å; E506-K538 HydrophobicContact CG-CB 4.19Å; E506-K538 HydrophobicContact CG-CD 4.02Å; E506-K538 HydrophobicContact CG-CG 4.05Å
507	E	91.9	Very high	91.2	Very high	145 Å²	145	40.7 Å²	40.7	68%	0.678	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27	174.9	-64	83.1	173.2	0	0	112.7	G504 V505 G509	G504-E507 WeakPolarHBondContact CA-OE2 3.47Å; V505-E507 VanDerWaalsContact C-N 3.28Å; V505-E507 PolarHBondContact O-N 3.34Å; E507-G509 PolarHBondContact O-N 2.87Å
508	L	92.9	Very high	91.9	Very high	55 Å²	55	40 Å²	40	29%	0.288	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	4.6	174.1	-59.8	173.7	0	0	0	112.8	A434 G435 Q436 K483 G504 V505 E506	A434-L508 WeakPolarHBondContact O-CD2 3.12Å; G435-L508 WeakPolarHBondContact O-CD1 3.49Å; Q436-L508 HydrophobicContact CB-CB 4.39Å; K483-L508 HydrophobicContact CD-CD1 4.23Å; K483-L508 HydrophobicContact CG-CD1 4Å; G504-L508 WeakPolarHBondContact O-CG 3.35Å; V505-L508 WeakPolarHBondContact O-CB 3.37Å; V505-L508 PolarHBondContact O-N 3.18Å; V505-L508 VanDerWaalsContact O-N 3.09Å; E506-L508 VanDerWaalsContact C-N 3.28Å; E506-L508 PolarHBondContact O-N 2.81Å
509	G	92	Very high	92.6	Very high	28 Å²	28	38.8 Å²	38.8	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	5.7	-179.1	0	0	0	0	0	114.3	V505 E506 E507 K538 G539	V505-G509 PolarHBondContact O-N 2.9Å; E506-G509 PolarHBondContact O-N 3.34Å; E506-G509 VanDerWaalsContact O-N 3.13Å; E507-G509 PolarHBondContact O-N 2.87Å; G509-K538 CarbonylContact O-C 3.09Å; G509-G539 CarbonylContact O-C 3.51Å; G509-G539 WeakPolarHBondContact O-CA 3.36Å; G509-G539 PolarHBondContact O-N 2.97Å
510	G	94.8	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	77.5	-167.5	-179.4	0	0	0	0	0	113.7	Q436 V505 A512 K538	Q436-G510 WeakPolarHBondContact CG-O 3.44Å; Q436-G510 PolarHBondContact NE2-O 2.92Å; V505-G510 WeakPolarHBondContact O-CA 3.29Å; V505-G510 PolarHBondContact O-N 2.61Å; G510-A512 PolarHBondContact O-N 2.95Å; G510-K538 WeakPolarHBondContact CA-O 3.43Å
511	L	96.1	Very high	92.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125.2	177.9	-179.3	68.2	0	0	0	110.8	P437 L439 I499 L501 V513 R531 S532 G539 D540	P437-L511 HydrophobicContact CB-CD1 3.86Å; P437-L511 HydrophobicContact CG-CD1 4.24Å; L439-L511 HydrophobicContact CB-CD1 4.24Å; L439-L511 HydrophobicContact CB-CD2 4.42Å; I499-L511 HydrophobicContact CD1-CD2 4.06Å; I499-L511 HydrophobicContact CG2-CD2 4.07Å; L501-L511 HydrophobicContact CD2-CB 3.78Å; L511-V513 HydrophobicContact CD2-CG2 4.23Å; L511-V513 HydrophobicContact CG-CG2 4.33Å; L511-R531 HydrophobicContact CD2-CB 4.49Å; L511-R531 WeakPolarHBondContact CD2-O 3.45Å; L511-S532 WeakPolarHBondContact O-CB 3.12Å; L511-S532 PolarHBondContact O-OG 3.18Å; L511-G539 WeakPolarHBondContact O-CA 3.44Å; L511-D540 PolarHBondContact O-N 3.45Å
512	A	97.1	Very high	92.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.6	169.9	0	0	0	0	0	110.5	K431 Q436 P437 V438 L439 G510 D540	K431-A512 HydrophobicContact CD-CB 3.42Å; K431-A512 VanDerWaalsContact CD-CB 3.42Å; Q436-A512 HydrophobicContact CG-CB 4.47Å; P437-A512 PolarHBondContact O-N 3.04Å; V438-A512 WeakPolarHBondContact CA-O 3.3Å; V438-A512 HydrophobicContact CG2-CB 4.33Å; L439-A512 PolarHBondContact N-O 2.88Å; G510-A512 PolarHBondContact O-N 2.95Å; A512-D540 WeakPolarHBondContact CA-OD1 3.48Å; A512-D540 WeakPolarHBondContact CB-OD1 3.3Å
513	V	96.1	Very high	92.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121	176.5	173.2	0	0	0	0	109.9	L439 L511 L528 R531 D540 S541 R542	L439-V513 HydrophobicContact CB-CG2 4.41Å; L439-V513 CarbonylContact O-C 3.58Å; L439-V513 WeakPolarHBondContact O-CA 3.25Å; L511-V513 HydrophobicContact CD2-CG2 4.23Å; L511-V513 HydrophobicContact CG-CG2 4.33Å; V513-L528 HydrophobicContact CG1-CD1 3.9Å; V513-L528 HydrophobicContact CG1-CD2 4.44Å; V513-L528 HydrophobicContact CG1-CG 3.68Å; V513-L528 WeakPolarHBondContact CG1-O 3.36Å; V513-R531 HydrophobicContact CG2-CB 4.16Å; V513-D540 PolarHBondContact N-O 2.9Å; V513-S541 CarbonylContact O-C 3.6Å; V513-S541 VanDerWaalsContact O-CA 3.23Å; V513-S541 WeakPolarHBondContact O-CA 3.49Å; V513-R542 PolarHBondContact O-N 3.47Å
514	I	96.7	Very high	91.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.1	-178.9	-59.6	176.9	0	0	0	109.2	V424 D427 V428 V438 L439 L440 G441 R542 Y544	V424-I514 HydrophobicContact CG1-CG2 4.32Å; D427-I514 VanDerWaalsContact OD2-CD1 3.25Å; D427-I514 WeakPolarHBondContact OD2-CD1 3.47Å; V428-I514 HydrophobicContact CG2-CD1 3.96Å; V438-I514 HydrophobicContact CG1-CD1 3.71Å; V438-I514 HydrophobicContact CG1-CG1 4.17Å; L439-I514 PolarHBondContact O-N 3.22Å; L440-I514 CarbonylContact C-O 3.55Å; L440-I514 WeakPolarHBondContact CA-O 3.33Å; G441-I514 PolarHBondContact N-O 3.46Å; I514-R542 WeakPolarHBondContact CA-O 3.12Å; I514-Y544 HydrophobicContact CG2-CD2 3.76Å; I514-Y544 HydrophobicContact CG2-CE2 3.94Å
515	G	95.6	Very high	91.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.7	167.7	0	0	0	0	0	110.5	E517 R542 F543 Y544	G515-E517 VanDerWaalsContact C-N 3.29Å; G515-R542 PolarHBondContact N-O 2.8Å; G515-F543 CarbonylContact O-C 3.54Å; G515-F543 WeakPolarHBondContact O-CA 3.21Å; G515-Y544 PolarHBondContact O-N 3.09Å
516	T	94.4	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-86.3	-3.7	-178.6	60.8	0	0	0	0	114.2	K420 V424 L440 G441 T442 I451 Y544	K420-T516 VanDerWaalsContact CD-O 3.3Å; K420-T516 WeakPolarHBondContact CD-O 3.43Å; K420-T516 VanDerWaalsContact CE-O 3.26Å; K420-T516 WeakPolarHBondContact CE-O 3.41Å; K420-T516 PolarHBondContact NZ-O 3.43Å; V424-T516 HydrophobicContact CG1-CG2 4.16Å; V424-T516 HydrophobicContact CG2-CG2 4.47Å; L440-T516 HydrophobicContact CD1-CG2 4.21Å; L440-T516 HydrophobicContact CD2-CG2 3.41Å; L440-T516 VanDerWaalsContact CD2-CG2 3.41Å; L440-T516 HydrophobicContact CG-CG2 3.79Å; G441-T516 PolarHBondContact O-N 3.16Å; G441-T516 PolarHBondContact O-OG1 3.24Å; T442-T516 HydrophobicContact CG2-CG2 4.15Å; I451-T516 HydrophobicContact CD1-CG2 3.52Å; T516-Y544 CarbonylContact C-O 3.52Å
517	E	91.7	Very high	91.3	Very high	35 Å²	35	25.4 Å²	25.4	16%	0.164	13%	0.129	C	C	.	.	S	Bend	trans	-170.7	169.7	173.3	63.5	-157.7	123.9	0	0	108.4	V443 G515 F543 Y544	V443-E517 HydrophobicContact CB-CG 4.19Å; V443-E517 VanDerWaalsContact CB-OE1 3.29Å; V443-E517 WeakPolarHBondContact CB-OE1 3.49Å; V443-E517 HydrophobicContact CG2-CG 3.33Å; V443-E517 WeakPolarHBondContact CG2-OE1 3.43Å; V443-E517 PolarHBondContact N-OE1 3.31Å; G515-E517 VanDerWaalsContact C-N 3.29Å; E517-F543 WeakPolarHBondContact O-CD1 3.17Å; E517-F543 WeakPolarHBondContact O-CE1 3.47Å; E517-Y544 WeakPolarHBondContact CA-O 3.45Å; E517-Y544 PolarHBondContact N-O 2.93Å
518	R	90.4	Very high	91.3	Very high	9 Å²	9	19.3 Å²	19.3	3%	0.034	10%	0.101	C	C	.	.			trans	-91.5	128.9	175	-77.7	-97.6	172.8	-115.8	-7.9	108.3	D411 D525 F543 L545 L551 V584	D411-R518 IonicContact OD1-CZ 3.81Å; D411-R518 IonicContact OD1-NE 2.86Å; D411-R518 IonicContact OD1-NH2 3.87Å; D411-R518 PolarHBondContact OD1-NH2 2.9Å; D411-R518 IonicContact OD2-CZ 2.82Å; D411-R518 IonicContact OD2-NE 3.95Å; D411-R518 PolarHBondContact OD2-NE 3.1Å; D411-R518 IonicContact OD2-NH2 2.71Å; D411-R518 PolarHBondContact OD2-NH2 3.38Å; R518-D525 WeakPolarHBondContact CD-OD2 3.39Å; R518-D525 IonicContact CZ-OD2 2.92Å; R518-D525 IonicContact NE-OD2 2.69Å; R518-D525 IonicContact NH1-OD2 3.31Å; R518-D525 PolarHBondContact NH1-OD2 3.43Å; R518-F543 HydrophobicContact CG-CD1 4.24Å; R518-F543 VanDerWaalsContact CZ-CD2 3.42Å; R518-F543 VanDerWaalsContact NH1-CE1 3.25Å; R518-F543 VanDerWaalsContact NH2-CG 3.28Å; R518-L545 HydrophobicContact CB-CD2 3.66Å; R518-L545 HydrophobicContact CG-CD1 3.85Å; R518-L545 HydrophobicContact CG-CD2 3.36Å; R518-L545 HydrophobicContact CG-CG 4.08Å; R518-L551 HydrophobicContact CB-CD2 3.64Å; R518-V584 HydrophobicContact CB-CG1 4.01Å; R518-V584 HydrophobicContact CG-CG1 3.7Å
519	H	89.6	Confident	91.2	Very high	42 Å²	42	17.7 Å²	17.7	19%	0.194	9%	0.091	C	C	.	.			trans	-68.4	159.9	172.5	-166.9	-95.9	0	0	0	110.4	S521 I524 D525 Q588	H519-S521 PolarHBondContact ND1-N 3.44Å; H519-S521 PolarHBondContact O-N 3.25Å; H519-I524 HydrophobicContact CB-CB 4.13Å; H519-I524 HydrophobicContact CB-CG2 3.96Å; H519-I524 WeakPolarHBondContact CE1-CD1 3.36Å; H519-I524 WeakPolarHBondContact ND1-CD1 3.2Å; H519-D525 WeakPolarHBondContact CB-OD1 3.25Å; H519-D525 PolarHBondContact N-OD1 3.43Å; H519-Q588 WeakPolarHBondContact O-CG 3.35Å; H519-Q588 PolarHBondContact O-NE2 3.01Å
520	E	85.7	Confident	91	Very high	44 Å²	44	16.7 Å²	16.7	21%	0.206	8%	0.081	C	C	.	.	S	Bend	trans	-64.2	-24.7	175.5	-60	-157.1	132.3	0	0	113.3	L551 R554 V591	E520-L551 HydrophobicContact CG-CD1 4.44Å; E520-R554 IonicContact OE1-CZ 2.83Å; E520-R554 IonicContact OE1-NE 2.7Å; E520-R554 IonicContact OE1-NH1 2.75Å; E520-R554 PolarHBondContact OE1-NH1 3.38Å; E520-R554 IonicContact OE1-NH2 2.71Å; E520-R554 IonicContact OE2-NH1 3.87Å; E520-V591 HydrophobicContact CB-CG1 3.95Å; E520-V591 HydrophobicContact CG-CG1 4.47Å
521	S	85.8	Confident	90.8	Very high	13 Å²	13	17.6 Å²	17.6	9%	0.091	8%	0.084	C	C	.	.	S	Bend	trans	-109.7	129.7	176.5	177.9	0	0	0	0	111.2	H519 R523 I524 E592	H519-S521 PolarHBondContact ND1-N 3.44Å; H519-S521 PolarHBondContact O-N 3.25Å; S521-R523 PolarHBondContact O-N 2.75Å; S521-R523 WeakPolarHBondContact OG-CB 3.39Å; S521-R523 PolarHBondContact OG-N 2.91Å; S521-I524 PolarHBondContact O-N 3.39Å; S521-E592 WeakPolarHBondContact CA-OE1 3.28Å; S521-E592 PolarHBondContact OG-OE1 3.33Å
522	R	89.7	Confident	90.5	Very high	59 Å²	59	17.6 Å²	17.6	22%	0.223	8%	0.084	C	C	.	.	H	α-helix	trans	-59.9	-33.6	176.2	-68.1	173.3	-72.6	159.8	3.4	111.6	I524 D525 D526 Q588 E592	R522-I524 VanDerWaalsContact C-N 3.34Å; R522-I524 PolarHBondContact O-N 3.16Å; R522-D525 WeakPolarHBondContact O-CB 3.4Å; R522-D525 PolarHBondContact O-N 2.95Å; R522-D526 PolarHBondContact O-N 3.49Å; R522-Q588 HydrophobicContact CG-CB 3.61Å; R522-Q588 HydrophobicContact CG-CG 4.26Å; R522-E592 IonicContact CZ-OE2 3.96Å; R522-E592 PolarHBondContact N-OE1 3.4Å; R522-E592 IonicContact NE-OE1 2.91Å; R522-E592 IonicContact NE-OE2 2.79Å; R522-E592 PolarHBondContact NE-OE2 3.08Å; R522-E592 IonicContact NH2-OE2 2.74Å; R522-E592 PolarHBondContact NH2-OE2 2.96Å
523	R	86.2	Confident	90.2	Very high	2 Å²	2	18 Å²	18	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-56	-46.2	180	-170.4	167.8	66.9	67.8	5.6	112.9	D216 D221 T379 S521 D526 Q527	D216-R523 IonicContact OD1-NH1 3.94Å; D216-R523 WeakPolarHBondContact OD2-CD 3.43Å; D216-R523 IonicContact OD2-CZ 2.77Å; D216-R523 IonicContact OD2-NE 3.89Å; D216-R523 IonicContact OD2-NH1 2.98Å; D216-R523 PolarHBondContact OD2-NH1 2.71Å; D221-R523 IonicContact OD1-CZ 2.89Å; D221-R523 IonicContact OD1-NH2 3.29Å; D221-R523 PolarHBondContact OD1-NH2 3.3Å; D221-R523 IonicContact OD2-CZ 3.11Å; D221-R523 IonicContact OD2-NH1 3.91Å; D221-R523 IonicContact OD2-NH2 2.67Å; D221-R523 PolarHBondContact OD2-NH2 3.31Å; T379-R523 WeakPolarHBondContact O-CD 3.27Å; T379-R523 WeakPolarHBondContact O-CG 3.43Å; T379-R523 WeakPolarHBondContact OG1-CG 3.4Å; S521-R523 PolarHBondContact O-N 2.75Å; S521-R523 WeakPolarHBondContact OG-CB 3.39Å; S521-R523 PolarHBondContact OG-N 2.91Å; R523-D526 PolarHBondContact O-N 3.38Å; R523-Q527 WeakPolarHBondContact O-CB 3.34Å; R523-Q527 PolarHBondContact O-N 3.32Å
524	I	85.6	Confident	89.6	Confident	12 Å²	12	19 Å²	19	6%	0.062	9%	0.091	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-179	-72.5	168.1	0	0	0	110.6	N491 H519 S521 R522 Q527 L528	N491-I524 HydrophobicContact CB-CG2 3.71Å; H519-I524 HydrophobicContact CB-CB 4.13Å; H519-I524 HydrophobicContact CB-CG2 3.96Å; H519-I524 WeakPolarHBondContact CE1-CD1 3.36Å; H519-I524 WeakPolarHBondContact ND1-CD1 3.2Å; S521-I524 PolarHBondContact O-N 3.39Å; R522-I524 VanDerWaalsContact C-N 3.34Å; R522-I524 PolarHBondContact O-N 3.16Å; I524-Q527 PolarHBondContact O-N 3.3Å; I524-L528 PolarHBondContact O-N 3.34Å
525	D	90.2	Very high	89	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-43.9	173.3	-68.8	-14.5	0	0	0	111.9	R518 H519 R522 Q527 L528 R529 F543 Q588	R518-D525 WeakPolarHBondContact CD-OD2 3.39Å; R518-D525 IonicContact CZ-OD2 2.92Å; R518-D525 IonicContact NE-OD2 2.69Å; R518-D525 IonicContact NH1-OD2 3.31Å; R518-D525 PolarHBondContact NH1-OD2 3.43Å; H519-D525 WeakPolarHBondContact CB-OD1 3.25Å; H519-D525 PolarHBondContact N-OD1 3.43Å; R522-D525 WeakPolarHBondContact O-CB 3.4Å; R522-D525 PolarHBondContact O-N 2.95Å; D525-Q527 VanDerWaalsContact C-N 3.33Å; D525-L528 WeakPolarHBondContact O-CB 3.39Å; D525-L528 PolarHBondContact O-N 2.78Å; D525-R529 WeakPolarHBondContact O-CG 3.48Å; D525-R529 PolarHBondContact O-N 3.22Å; D525-F543 HydrophobicContact CB-CE1 4.02Å; D525-F543 HydrophobicContact CB-CZ 3.66Å; D525-F543 WeakPolarHBondContact OD1-CE1 3.37Å; D525-Q588 PolarHBondContact OD2-NE2 3.07Å
526	D	89	Confident	88.6	Confident	75 Å²	75	21.5 Å²	21.5	40%	0.401	11%	0.105	S	C	.	.	H	α-helix	trans	-65.4	-37.5	178.9	-75.8	-22.6	0	0	0	111.7	T379 R522 R523 R529 G530	T379-D526 HydrophobicContact CG2-CB 3.69Å; R522-D526 PolarHBondContact O-N 3.49Å; R523-D526 PolarHBondContact O-N 3.38Å; D526-R529 PolarHBondContact O-N 3.32Å; D526-G530 PolarHBondContact O-N 2.87Å
527	Q	86.6	Confident	88.4	Confident	9 Å²	9	23.7 Å²	23.7	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-43.2	173.2	-170.1	-178.6	19.6	0	0	111.6	R523 I524 D525 G530 R531	R523-Q527 WeakPolarHBondContact O-CB 3.34Å; R523-Q527 PolarHBondContact O-N 3.32Å; I524-Q527 PolarHBondContact O-N 3.3Å; D525-Q527 VanDerWaalsContact C-N 3.33Å; Q527-G530 PolarHBondContact O-N 3Å; Q527-R531 PolarHBondContact O-N 3.12Å
528	L	90.3	Very high	88.5	Confident	16 Å²	16	26 Å²	26	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-51	174.7	176.7	60.9	0	0	0	110.6	L439 V513 I524 D525 G530 R531 F543	L439-L528 HydrophobicContact CD2-CD1 4.49Å; V513-L528 HydrophobicContact CG1-CD1 3.9Å; V513-L528 HydrophobicContact CG1-CD2 4.44Å; V513-L528 HydrophobicContact CG1-CG 3.68Å; V513-L528 WeakPolarHBondContact CG1-O 3.36Å; I524-L528 PolarHBondContact O-N 3.34Å; D525-L528 WeakPolarHBondContact O-CB 3.39Å; D525-L528 PolarHBondContact O-N 2.78Å; L528-G530 VanDerWaalsContact C-N 3.25Å; L528-G530 PolarHBondContact O-N 3.16Å; L528-R531 VanDerWaalsContact O-CB 3.22Å; L528-R531 WeakPolarHBondContact O-CB 3.49Å; L528-R531 WeakPolarHBondContact O-CG 3.18Å; L528-R531 PolarHBondContact O-N 3.29Å; L528-R531 VanDerWaalsContact O-N 3.09Å; L528-F543 HydrophobicContact CD2-CE1 4.3Å; L528-F543 HydrophobicContact CD2-CZ 4.08Å
529	R	91	Very high	88.7	Confident	22 Å²	22	25.8 Å²	25.8	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-40.5	176.3	-65.7	178.5	-162.7	-121.9	23.3	111.9	R406 D525 D526 R531 S532 S541 F543	R406-R529 VanDerWaalsContact NH1-C 3.29Å; R406-R529 PolarHBondContact NH1-O 3.03Å; D525-R529 WeakPolarHBondContact O-CG 3.48Å; D525-R529 PolarHBondContact O-N 3.22Å; D526-R529 PolarHBondContact O-N 3.32Å; R529-R531 PolarHBondContact O-N 3.16Å; R529-S532 PolarHBondContact O-N 2.82Å; R529-S541 WeakPolarHBondContact CG-OG 3.45Å; R529-S541 PolarHBondContact NH1-OG 3.04Å; R529-F543 HydrophobicContact CG-CE2 3.75Å; R529-F543 HydrophobicContact CG-CZ 4.36Å
530	G	89.1	Confident	88.9	Confident	7 Å²	7	24.5 Å²	24.5	7%	0.072	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.9	178.2	0	0	0	0	0	115.1	T108 D526 Q527 L528 S532 R534	T108-G530 VanDerWaalsContact OG1-CA 3.25Å; T108-G530 WeakPolarHBondContact OG1-CA 3.18Å; T108-G530 PolarHBondContact OG1-O 3.18Å; D526-G530 PolarHBondContact O-N 2.87Å; Q527-G530 PolarHBondContact O-N 3Å; L528-G530 VanDerWaalsContact C-N 3.25Å; L528-G530 PolarHBondContact O-N 3.16Å; G530-S532 PolarHBondContact O-N 3.38Å; G530-R534 PolarHBondContact O-NE 3.38Å
531	R	89.2	Confident	89.4	Confident	19 Å²	19	22.4 Å²	22.4	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	168.5	-60.8	-63.5	177.1	166.7	8.5	112.7	L439 G494 R495 T497 I499 L511 V513 Q527 L528 R529	L439-R531 HydrophobicContact CD2-CB 3.55Å; L439-R531 HydrophobicContact CD2-CG 3.67Å; G494-R531 VanDerWaalsContact O-CZ 3.24Å; G494-R531 PolarHBondContact O-NH1 3.08Å; G494-R531 PolarHBondContact O-NH2 2.9Å; R495-R531 VanDerWaalsContact CA-NH2 3.33Å; T497-R531 PolarHBondContact O-NH1 2.79Å; I499-R531 HydrophobicContact CD1-CB 4.13Å; L511-R531 HydrophobicContact CD2-CB 4.49Å; L511-R531 WeakPolarHBondContact CD2-O 3.45Å; V513-R531 HydrophobicContact CG2-CB 4.16Å; Q527-R531 PolarHBondContact O-N 3.12Å; L528-R531 VanDerWaalsContact O-CB 3.22Å; L528-R531 WeakPolarHBondContact O-CB 3.49Å; L528-R531 WeakPolarHBondContact O-CG 3.18Å; L528-R531 PolarHBondContact O-N 3.29Å; L528-R531 VanDerWaalsContact O-N 3.09Å; R529-R531 PolarHBondContact O-N 3.16Å
532	S	91.4	Very high	89.8	Confident	2 Å²	2	24 Å²	24	1%	0.014	12%	0.116	C	C	.	.	S	Bend	trans	-111.3	152.4	175.4	175.2	0	0	0	0	112	R406 L511 R529 G530 G539	R406-S532 WeakPolarHBondContact CD-O 3.43Å; R406-S532 PolarHBondContact NH1-O 3.12Å; L511-S532 WeakPolarHBondContact O-CB 3.12Å; L511-S532 PolarHBondContact O-OG 3.18Å; R529-S532 PolarHBondContact O-N 2.82Å; G530-S532 PolarHBondContact O-N 3.38Å; S532-G539 VanDerWaalsContact OG-CA 3.27Å; S532-G539 WeakPolarHBondContact OG-CA 3.46Å
533	G	89.5	Confident	90.1	Very high	7 Å²	7	21.2 Å²	21.2	7%	0.072	11%	0.105	C	C	.	.	S	Bend	trans	77.5	31.4	177.5	0	0	0	0	0	115.9	D537	G533-D537 VanDerWaalsContact CA-O 3.31Å; G533-D537 WeakPolarHBondContact CA-O 3.39Å
534	R	84.5	Confident	90.5	Very high	21 Å²	21	21.4 Å²	21.4	8%	0.079	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-74.3	143	-179.6	-62.8	-172.9	174	-159.8	0.4	110.9	D498 G530 G536 D537	D498-R534 VanDerWaalsContact CA-NH1 3.34Å; D498-R534 VanDerWaalsContact OD1-CD 3.24Å; D498-R534 WeakPolarHBondContact OD1-CD 3.47Å; D498-R534 IonicContact OD1-CZ 3.72Å; D498-R534 IonicContact OD1-NE 3.33Å; D498-R534 IonicContact OD1-NH1 2.78Å; D498-R534 PolarHBondContact OD1-NH1 3.04Å; G530-R534 PolarHBondContact O-NE 3.38Å; R534-G536 PolarHBondContact O-N 3.21Å; R534-D537 WeakPolarHBondContact O-CB 3.1Å; R534-D537 PolarHBondContact O-N 2.92Å
535	Q	84.1	Confident	90.9	Very high	47 Å²	47	20.9 Å²	20.9	22%	0.22	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	48.5	29.2	-179.9	-71.1	-61.4	-40.9	0	0	115.5	G109 E110 N401 K402	G109-Q535 PolarHBondContact O-NE2 3.03Å; E110-Q535 PolarHBondContact OE2-NE2 2.82Å; N401-Q535 PolarHBondContact ND2-OE1 2.84Å; K402-Q535 WeakPolarHBondContact CD-O 3.15Å
536	G	86.5	Confident	90.9	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	84.4	10.3	-178.7	0	0	0	0	0	115	P403 Q405 R534	P403-G536 VanDerWaalsContact O-CA 3.32Å; P403-G536 WeakPolarHBondContact O-CA 3.42Å; Q405-G536 VanDerWaalsContact CG-O 3.26Å; Q405-G536 WeakPolarHBondContact CG-O 3Å; Q405-G536 PolarHBondContact NE2-O 2.94Å; R534-G536 PolarHBondContact O-N 3.21Å
537	D	91	Very high	90.8	Very high	46 Å²	46	17.3 Å²	17.3	25%	0.246	9%	0.085	C	C	.	.			trans	-57.2	153.3	170	-70	-11.1	0	0	0	111.5	L501 G533 R534	L501-D537 HydrophobicContact CD1-CB 3.77Å; G533-D537 VanDerWaalsContact CA-O 3.31Å; G533-D537 WeakPolarHBondContact CA-O 3.39Å; R534-D537 WeakPolarHBondContact O-CB 3.1Å; R534-D537 PolarHBondContact O-N 2.92Å
538	K	93	Very high	90.9	Very high	83 Å²	83	21 Å²	21	36%	0.361	10%	0.102	S	C	.	.			trans	-73.6	163.2	168.6	-64.1	-178.7	-166.7	161.9	0	110.8	Q405 E506 G509 G510	Q405-K538 HydrophobicContact CB-CG 4.37Å; E506-K538 HydrophobicContact CG-CB 4.19Å; E506-K538 HydrophobicContact CG-CD 4.02Å; E506-K538 HydrophobicContact CG-CG 4.05Å; G509-K538 CarbonylContact O-C 3.09Å; G510-K538 WeakPolarHBondContact CA-O 3.43Å
539	G	94.2	Very high	90.8	Very high	6 Å²	6	20.4 Å²	20.4	6%	0.062	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	170.6	178	0	0	0	0	0	111.9	R406 N407 G509 L511 S532	R406-G539 CarbonylContact C-O 3.6Å; R406-G539 WeakPolarHBondContact CA-O 3.45Å; N407-G539 PolarHBondContact N-O 2.77Å; G509-G539 CarbonylContact O-C 3.51Å; G509-G539 WeakPolarHBondContact O-CA 3.36Å; G509-G539 PolarHBondContact O-N 2.97Å; L511-G539 WeakPolarHBondContact O-CA 3.44Å; S532-G539 VanDerWaalsContact OG-CA 3.27Å; S532-G539 WeakPolarHBondContact OG-CA 3.46Å
540	D	94.6	Very high	90.5	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.08	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.6	164.1	73.2	28.6	0	0	0	111.9	N407 K409 L511 A512 V513	N407-D540 WeakPolarHBondContact O-CA 3.43Å; K409-D540 IonicContact NZ-OD2 2.96Å; K409-D540 PolarHBondContact NZ-OD2 3.43Å; L511-D540 PolarHBondContact O-N 3.45Å; A512-D540 WeakPolarHBondContact CA-OD1 3.48Å; A512-D540 WeakPolarHBondContact CB-OD1 3.3Å; V513-D540 PolarHBondContact N-O 2.9Å
541	S	95	Very high	90.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.6	169	86.6	0	0	0	0	111	N407 D408 K409 V513 R529	N407-S541 PolarHBondContact O-N 3.26Å; D408-S541 WeakPolarHBondContact OD1-CB 3.44Å; D408-S541 PolarHBondContact OD1-OG 3.38Å; K409-S541 WeakPolarHBondContact CB-O 3.38Å; K409-S541 PolarHBondContact N-O 2.9Å; V513-S541 CarbonylContact O-C 3.6Å; V513-S541 VanDerWaalsContact O-CA 3.23Å; V513-S541 WeakPolarHBondContact O-CA 3.49Å; R529-S541 WeakPolarHBondContact CG-OG 3.45Å; R529-S541 PolarHBondContact NH1-OG 3.04Å
542	R	95.5	Very high	89.9	Confident	45 Å²	45	24.6 Å²	24.6	17%	0.17	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.2	175	-177.7	172.4	-94	171.9	-7.5	111.1	K409 S410 V513 I514 G515 Y544 E576	K409-R542 HydrophobicContact CB-CB 4.18Å; K409-R542 HydrophobicContact CB-CG 4.38Å; S410-R542 PolarHBondContact O-NE 2.99Å; V513-R542 PolarHBondContact O-N 3.47Å; I514-R542 WeakPolarHBondContact CA-O 3.12Å; G515-R542 PolarHBondContact N-O 2.8Å; R542-Y544 HydrophobicContact CB-CE2 4.24Å; R542-Y544 HydrophobicContact CG-CD2 4.24Å; R542-Y544 HydrophobicContact CG-CE2 3.75Å; R542-E576 IonicContact CZ-OE1 2.8Å; R542-E576 IonicContact NH2-OE1 3Å; R542-E576 PolarHBondContact NH2-OE1 3.1Å; R542-E576 IonicContact NH2-OE2 3.69Å
543	F	95.3	Very high	89.5	Confident	1 Å²	1	29 Å²	29	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.8	174.2	-75.2	-109.6	0	0	0	111.1	D411 L412 G515 E517 R518 D525 L528 R529	D411-F543 WeakPolarHBondContact CA-O 3.4Å; L412-F543 PolarHBondContact N-O 3.22Å; G515-F543 CarbonylContact O-C 3.54Å; G515-F543 WeakPolarHBondContact O-CA 3.21Å; E517-F543 WeakPolarHBondContact O-CD1 3.17Å; E517-F543 WeakPolarHBondContact O-CE1 3.47Å; R518-F543 HydrophobicContact CG-CD1 4.24Å; R518-F543 VanDerWaalsContact CZ-CD2 3.42Å; R518-F543 VanDerWaalsContact NH1-CE1 3.25Å; R518-F543 VanDerWaalsContact NH2-CG 3.28Å; D525-F543 HydrophobicContact CB-CE1 4.02Å; D525-F543 HydrophobicContact CB-CZ 3.66Å; D525-F543 WeakPolarHBondContact OD1-CE1 3.37Å; L528-F543 HydrophobicContact CD2-CE1 4.3Å; L528-F543 HydrophobicContact CD2-CZ 4.08Å; R529-F543 HydrophobicContact CG-CE2 3.75Å; R529-F543 HydrophobicContact CG-CZ 4.36Å
544	Y	95.4	Very high	88.8	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	176.8	-71.4	-111.4	0	0	0	107.7	L412 Y414 A423 V424 D427 I514 G515 T516 E517 R542	L412-Y544 HydrophobicContact CB-CD1 4.33Å; L412-Y544 HydrophobicContact CB-CE1 4.5Å; L412-Y544 HydrophobicContact CD1-CD1 4.27Å; L412-Y544 HydrophobicContact CD1-CE1 3.63Å; L412-Y544 CarbonylContact O-C 3.59Å; Y414-Y544 AromaticContact CE2-CD1 3.72Å; Y414-Y544 HydrophobicContact CE2-CD1 3.72Å; Y414-Y544 HydrophobicContact CE2-CE1 4.37Å; A423-Y544 HydrophobicContact CB-CD1 4.24Å; A423-Y544 HydrophobicContact CB-CE1 4.13Å; V424-Y544 VanDerWaalsContact CG2-CB 3.5Å; V424-Y544 HydrophobicContact CG2-CD1 3.69Å; V424-Y544 HydrophobicContact CG2-CD2 4Å; V424-Y544 HydrophobicContact CG2-CE1 4.43Å; V424-Y544 HydrophobicContact CG2-CG 3.46Å; V424-Y544 VanDerWaalsContact CG2-CG 3.46Å; D427-Y544 VanDerWaalsContact CG-OH 3.28Å; D427-Y544 PolarHBondContact OD2-OH 3.11Å; D427-Y544 VanDerWaalsContact OD2-OH 3.06Å; I514-Y544 HydrophobicContact CG2-CD2 3.76Å; I514-Y544 HydrophobicContact CG2-CE2 3.94Å; G515-Y544 PolarHBondContact O-N 3.09Å; T516-Y544 CarbonylContact C-O 3.52Å; E517-Y544 WeakPolarHBondContact CA-O 3.45Å; E517-Y544 PolarHBondContact N-O 2.93Å; R542-Y544 HydrophobicContact CB-CE2 4.24Å; R542-Y544 HydrophobicContact CG-CD2 4.24Å; R542-Y544 HydrophobicContact CG-CE2 3.75Å
545	L	93.2	Very high	88.2	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.8	-171	-66.2	165.3	0	0	0	110.5	D411 L412 I413 Y414 R518 D549 V584	D411-L545 HydrophobicContact CB-CD1 3.84Å; L412-L545 PolarHBondContact O-N 3.37Å; I413-L545 CarbonylContact C-O 3.57Å; I413-L545 WeakPolarHBondContact CA-O 3.45Å; I413-L545 HydrophobicContact CD1-CD1 4.43Å; I413-L545 HydrophobicContact CG1-CB 3.88Å; I413-L545 HydrophobicContact CG1-CD1 3.9Å; Y414-L545 WeakPolarHBondContact CD2-O 3.5Å; Y414-L545 PolarHBondContact N-O 3.22Å; R518-L545 HydrophobicContact CB-CD2 3.66Å; R518-L545 HydrophobicContact CG-CD1 3.85Å; R518-L545 HydrophobicContact CG-CD2 3.36Å; R518-L545 HydrophobicContact CG-CG 4.08Å; L545-D549 WeakPolarHBondContact CA-OD2 3.21Å; L545-V584 HydrophobicContact CD1-CG2 4.23Å
546	S	91	Very high	87.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.9	169.5	-175	0	0	0	0	110.6	Y414 I415 S416 Q417 Q548 D549 M552	Y414-S546 CarbonylContact O-C 3.51Å; Y414-S546 VanDerWaalsContact O-CA 3.3Å; Y414-S546 WeakPolarHBondContact O-CA 3.31Å; I415-S546 PolarHBondContact O-OG 2.86Å; S416-S546 PolarHBondContact O-OG 3.27Å; Q417-S546 PolarHBondContact N-OG 3.11Å; S546-Q548 PolarHBondContact O-N 3.49Å; S546-Q548 VanDerWaalsContact O-N 3.11Å; S546-Q548 PolarHBondContact OG-N 3.06Å; S546-Q548 VanDerWaalsContact OG-N 3.16Å; S546-D549 WeakPolarHBondContact CB-OD1 3.22Å; S546-D549 VanDerWaalsContact N-CG 3.34Å; S546-D549 PolarHBondContact N-OD2 3Å; S546-D549 WeakPolarHBondContact O-CB 3.4Å; S546-D549 PolarHBondContact O-N 2.66Å; S546-M552 WeakPolarHBondContact O-CB 3.36Å; S546-M552 VanDerWaalsContact O-CG 3.22Å; S546-M552 WeakPolarHBondContact O-CG 3.04Å
547	L	86.9	Confident	86.4	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.4	166.3	-63.6	-174.2	0	0	0	113.3	I413 Y414 M552 S557 L560 Q561 M564	I413-L547 HydrophobicContact CG2-CD2 4.01Å; I413-L547 HydrophobicContact CG2-CG 4.44Å; Y414-L547 PolarHBondContact O-N 3.36Å; L547-M552 HydrophobicContact CD2-CE 3.93Å; L547-S557 VanDerWaalsContact O-CB 3.29Å; L547-S557 WeakPolarHBondContact O-CB 3.35Å; L547-L560 HydrophobicContact CD1-CB 4.29Å; L547-L560 HydrophobicContact CD2-CB 3.64Å; L547-L560 HydrophobicContact CD2-CD1 3.94Å; L547-L560 HydrophobicContact CD2-CG 4.45Å; L547-Q561 HydrophobicContact CD1-CB 3.85Å; L547-Q561 HydrophobicContact CD1-CG 4.23Å; L547-M564 HydrophobicContact CD1-CG 4.3Å; L547-M564 HydrophobicContact CD1-SD 3.58Å; L547-M564 VanDerWaalsContact CD1-SD 3.58Å; L547-M564 HydrophobicContact CG-SD 4.1Å
548	Q	87.9	Confident	85.3	Confident	87 Å²	87	41.7 Å²	41.7	41%	0.407	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.8	174.2	-65.9	176.3	-16.4	0	0	113.5	Q417 S546 I553	Q417-Q548 HydrophobicContact CG-CB 3.81Å; Q417-Q548 PolarHBondContact NE2-O 2.82Å; S546-Q548 PolarHBondContact O-N 3.49Å; S546-Q548 VanDerWaalsContact O-N 3.11Å; S546-Q548 PolarHBondContact OG-N 3.06Å; S546-Q548 VanDerWaalsContact OG-N 3.16Å; Q548-I553 WeakPolarHBondContact O-CD1 3.26Å
549	D	88	Confident	84.3	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	22%	0.224	C	C	.	.	S	Bend	trans	-70.7	147.9	174.3	-66.1	-13	0	0	0	109.8	K420 L545 S546 L551 M552 I553	K420-D549 IonicContact NZ-OD1 2.87Å; K420-D549 PolarHBondContact NZ-OD1 3.14Å; K420-D549 IonicContact NZ-OD2 3.8Å; K420-D549 PolarHBondContact NZ-OD2 2.89Å; L545-D549 WeakPolarHBondContact CA-OD2 3.21Å; S546-D549 WeakPolarHBondContact CB-OD1 3.22Å; S546-D549 VanDerWaalsContact N-CG 3.34Å; S546-D549 PolarHBondContact N-OD2 3Å; S546-D549 WeakPolarHBondContact O-CB 3.4Å; S546-D549 PolarHBondContact O-N 2.66Å; D549-L551 VanDerWaalsContact C-N 3.34Å; D549-L551 PolarHBondContact O-N 3.47Å; D549-M552 HydrophobicContact CB-CB 4.4Å; D549-M552 HydrophobicContact CB-CG 4.26Å; D549-M552 WeakPolarHBondContact O-CA 3.32Å; D549-M552 WeakPolarHBondContact O-CB 3.38Å; D549-M552 PolarHBondContact O-N 3.3Å; D549-I553 WeakPolarHBondContact O-CG1 3.37Å; D549-I553 PolarHBondContact O-N 3.01Å
550	E	84.3	Confident	83.2	Confident	116 Å²	116	50.3 Å²	50.3	54%	0.542	23%	0.234	S	C	.	.	H	α-helix	trans	-56.3	-47.1	-173.6	-175.3	176.4	-176.7	0	0	112.4	M552 I553 R554	E550-M552 VanDerWaalsContact C-N 3.3Å; E550-M552 PolarHBondContact O-N 3.29Å; E550-I553 PolarHBondContact O-N 3.1Å; E550-R554 WeakPolarHBondContact O-CG 3.21Å; E550-R554 PolarHBondContact O-N 2.91Å; E550-R554 IonicContact OE1-CZ 2.61Å; E550-R554 IonicContact OE1-NE 3.11Å; E550-R554 PolarHBondContact OE1-NE 3.27Å; E550-R554 IonicContact OE1-NH2 3.49Å; E550-R554 PolarHBondContact OE1-NH2 3.42Å
551	L	83.9	Confident	82.1	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-56.3	-47.3	175.2	-172.5	70.8	0	0	0	110.6	R518 E520 D549 I553 R554 F555 V584 Q588 V591	R518-L551 HydrophobicContact CB-CD2 3.64Å; E520-L551 HydrophobicContact CG-CD1 4.44Å; D549-L551 VanDerWaalsContact C-N 3.34Å; D549-L551 PolarHBondContact O-N 3.47Å; L551-I553 PolarHBondContact O-N 3.11Å; L551-R554 PolarHBondContact O-N 2.92Å; L551-F555 HydrophobicContact CD1-CD2 4.24Å; L551-F555 HydrophobicContact CD1-CE2 3.71Å; L551-F555 HydrophobicContact CG-CD2 4.34Å; L551-F555 HydrophobicContact CG-CE2 4.29Å; L551-F555 WeakPolarHBondContact O-CD2 3.4Å; L551-F555 PolarHBondContact O-N 3.23Å; L551-V584 HydrophobicContact CD2-CG1 3.88Å; L551-Q588 HydrophobicContact CD2-CG 3.91Å; L551-V591 HydrophobicContact CD1-CG2 4.19Å
552	M	83.5	Confident	81.1	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-35.4	-177.5	-66.3	-59.2	-65.8	0	0	112.8	S546 L547 D549 E550 F555 S557 L560 V584	S546-M552 WeakPolarHBondContact O-CB 3.36Å; S546-M552 VanDerWaalsContact O-CG 3.22Å; S546-M552 WeakPolarHBondContact O-CG 3.04Å; L547-M552 HydrophobicContact CD2-CE 3.93Å; D549-M552 HydrophobicContact CB-CB 4.4Å; D549-M552 HydrophobicContact CB-CG 4.26Å; D549-M552 WeakPolarHBondContact O-CA 3.32Å; D549-M552 WeakPolarHBondContact O-CB 3.38Å; D549-M552 PolarHBondContact O-N 3.3Å; E550-M552 VanDerWaalsContact C-N 3.3Å; E550-M552 PolarHBondContact O-N 3.29Å; M552-F555 PolarHBondContact O-N 3.29Å; M552-S557 PolarHBondContact O-N 3.37Å; M552-L560 HydrophobicContact CE-CD1 3.56Å; M552-V584 HydrophobicContact SD-CG2 3.97Å
553	I	82	Confident	80	Confident	95 Å²	95	61 Å²	61	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-47.8	174.4	-67.2	167.4	0	0	0	110.2	Q548 D549 E550 L551 F555 G556	Q548-I553 WeakPolarHBondContact O-CD1 3.26Å; D549-I553 WeakPolarHBondContact O-CG1 3.37Å; D549-I553 PolarHBondContact O-N 3.01Å; E550-I553 PolarHBondContact O-N 3.1Å; L551-I553 PolarHBondContact O-N 3.11Å; I553-F555 PolarHBondContact O-N 3.48Å; I553-G556 PolarHBondContact O-N 3.44Å
554	R	74.8	Confident	78.7	Confident	137 Å²	137	61 Å²	61	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-29.4	-178.7	-71.3	177.7	-176.3	-156.6	1.2	113.3	E520 E550 L551	E520-R554 IonicContact OE1-CZ 2.83Å; E520-R554 IonicContact OE1-NE 2.7Å; E520-R554 IonicContact OE1-NH1 2.75Å; E520-R554 PolarHBondContact OE1-NH1 3.38Å; E520-R554 IonicContact OE1-NH2 2.71Å; E520-R554 IonicContact OE2-NH1 3.87Å; E550-R554 WeakPolarHBondContact O-CG 3.21Å; E550-R554 PolarHBondContact O-N 2.91Å; E550-R554 IonicContact OE1-CZ 2.61Å; E550-R554 IonicContact OE1-NE 3.11Å; E550-R554 PolarHBondContact OE1-NE 3.27Å; E550-R554 IonicContact OE1-NH2 3.49Å; E550-R554 PolarHBondContact OE1-NH2 3.42Å; L551-R554 PolarHBondContact O-N 2.92Å
555	F	71.5	Confident	77.6	Confident	79 Å²	79	64.6 Å²	64.6	35%	0.346	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.7	179	-73.2	-76.7	0	0	0	115.3	L551 M552 I553 A587 R590 V591	L551-F555 HydrophobicContact CD1-CD2 4.24Å; L551-F555 HydrophobicContact CD1-CE2 3.71Å; L551-F555 HydrophobicContact CG-CD2 4.34Å; L551-F555 HydrophobicContact CG-CE2 4.29Å; L551-F555 WeakPolarHBondContact O-CD2 3.4Å; L551-F555 PolarHBondContact O-N 3.23Å; M552-F555 PolarHBondContact O-N 3.29Å; I553-F555 PolarHBondContact O-N 3.48Å; F555-A587 HydrophobicContact CD1-CB 3.58Å; F555-A587 HydrophobicContact CD2-CB 3.24Å; F555-A587 VanDerWaalsContact CE1-CA 3.42Å; F555-A587 HydrophobicContact CE1-CB 3.49Å; F555-A587 VanDerWaalsContact CE1-CB 3.49Å; F555-A587 HydrophobicContact CE2-CB 3.22Å; F555-A587 HydrophobicContact CG-CB 3.49Å; F555-A587 VanDerWaalsContact CG-CB 3.49Å; F555-A587 HydrophobicContact CZ-CB 3.35Å; F555-A587 WeakPolarHBondContact CZ-O 3.18Å; F555-R590 HydrophobicContact CE1-CB 4.29Å; F555-R590 HydrophobicContact CZ-CB 4.42Å; F555-V591 HydrophobicContact CE2-CG2 3.65Å; F555-V591 HydrophobicContact CZ-CG2 3.5Å
556	G	67.3	Low	76.6	Confident	40 Å²	40	75.2 Å²	75.2	41%	0.412	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	60.6	177.1	0	0	0	0	0	112.4	I553 E558 R559	I553-G556 PolarHBondContact O-N 3.44Å; G556-E558 PolarHBondContact O-N 3.03Å; G556-R559 PolarHBondContact O-N 3.26Å
557	S	67	Low	75.8	Confident	19 Å²	19	80.5 Å²	80.5	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-49.9	-24.9	176.8	60.3	0	0	0	0	113.5	L547 M552 R559 L560 Q561	L547-S557 VanDerWaalsContact O-CB 3.29Å; L547-S557 WeakPolarHBondContact O-CB 3.35Å; M552-S557 PolarHBondContact O-N 3.37Å; S557-R559 VanDerWaalsContact C-N 3.32Å; S557-R559 PolarHBondContact O-N 2.86Å; S557-L560 PolarHBondContact O-N 3.42Å; S557-L560 VanDerWaalsContact O-N 3.16Å; S557-Q561 VanDerWaalsContact O-CB 3.31Å; S557-Q561 WeakPolarHBondContact O-CB 3.29Å; S557-Q561 PolarHBondContact O-N 2.84Å
558	E	68.1	Low	75.1	Confident	118 Å²	118	83.4 Å²	83.4	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-54.1	-39.8	-179.9	-68.4	-166.8	-167.6	0	0	114.8	G556 K562	G556-E558 PolarHBondContact O-N 3.03Å; E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 WeakPolarHBondContact O-CG 3.38Å; E558-K562 PolarHBondContact O-N 2.82Å; E558-K562 IonicContact OE2-NZ 3.76Å; E558-K562 PolarHBondContact OE2-NZ 2.86Å
559	R	71.8	Confident	74.4	Confident	218 Å²	218	81.4 Å²	81.4	82%	0.823	40%	0.401	S	S	*	.	H	α-helix	trans	-68.6	-43	-179.2	-74.9	-174.6	-178.5	177.3	1.9	110.8	G556 S557 M563	G556-R559 PolarHBondContact O-N 3.26Å; S557-R559 VanDerWaalsContact C-N 3.32Å; S557-R559 PolarHBondContact O-N 2.86Å; R559-M563 WeakPolarHBondContact O-CB 3.44Å; R559-M563 PolarHBondContact O-N 2.81Å; R559-M563 VanDerWaalsContact O-N 3.08Å
560	L	70	Confident	74	Confident	52 Å²	52	85.2 Å²	85.2	27%	0.272	42%	0.421	S	S	.	.	H	α-helix	trans	-68.6	-40	176.6	-68.7	173.8	0	0	0	110.8	L547 M552 S557 M563 M564	L547-L560 HydrophobicContact CD1-CB 4.29Å; L547-L560 HydrophobicContact CD2-CB 3.64Å; L547-L560 HydrophobicContact CD2-CD1 3.94Å; L547-L560 HydrophobicContact CD2-CG 4.45Å; M552-L560 HydrophobicContact CE-CD1 3.56Å; S557-L560 PolarHBondContact O-N 3.42Å; S557-L560 VanDerWaalsContact O-N 3.16Å; L560-M563 HydrophobicContact CD2-CE 3.95Å; L560-M563 CarbonylContact O-C 3.33Å; L560-M563 WeakPolarHBondContact O-CB 3.32Å; L560-M563 PolarHBondContact O-N 2.69Å; L560-M563 VanDerWaalsContact O-N 3.16Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 2.94Å
561	Q	71.1	Confident	73.8	Confident	83 Å²	83	83.2 Å²	83.2	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-47.8	176.7	-162.9	176.5	21.1	0	0	111	L547 S557 M563 M564 S565	L547-Q561 HydrophobicContact CD1-CB 3.85Å; L547-Q561 HydrophobicContact CD1-CG 4.23Å; S557-Q561 VanDerWaalsContact O-CB 3.31Å; S557-Q561 WeakPolarHBondContact O-CB 3.29Å; S557-Q561 PolarHBondContact O-N 2.84Å; Q561-M563 PolarHBondContact O-N 2.9Å; Q561-M564 PolarHBondContact O-N 3.01Å; Q561-S565 WeakPolarHBondContact O-CB 3.43Å; Q561-S565 PolarHBondContact O-N 3.23Å; Q561-S565 PolarHBondContact O-OG 2.98Å
562	K	75.2	Confident	73.6	Confident	120 Å²	120	86.7 Å²	86.7	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-59	-36.2	174.1	-74.1	167.9	-172.2	161.3	0	112	E558 R566	E558-K562 WeakPolarHBondContact O-CB 3.31Å; E558-K562 WeakPolarHBondContact O-CG 3.38Å; E558-K562 PolarHBondContact O-N 2.82Å; E558-K562 IonicContact OE2-NZ 3.76Å; E558-K562 PolarHBondContact OE2-NZ 2.86Å; K562-R566 WeakPolarHBondContact O-CB 3.15Å; K562-R566 WeakPolarHBondContact O-CG 3.18Å; K562-R566 PolarHBondContact O-N 2.79Å; K562-R566 VanDerWaalsContact O-N 3.12Å
563	M	71.3	Confident	73.8	Confident	80 Å²	80	88.8 Å²	88.8	39%	0.394	45%	0.453	S	S	.	.	H	α-helix	trans	-68.8	-46.5	175.1	-174.6	-173.2	71.2	0	0	111.8	R559 L560 Q561 R566 L567 I575	R559-M563 WeakPolarHBondContact O-CB 3.44Å; R559-M563 PolarHBondContact O-N 2.81Å; R559-M563 VanDerWaalsContact O-N 3.08Å; L560-M563 HydrophobicContact CD2-CE 3.95Å; L560-M563 CarbonylContact O-C 3.33Å; L560-M563 WeakPolarHBondContact O-CB 3.32Å; L560-M563 PolarHBondContact O-N 2.69Å; L560-M563 VanDerWaalsContact O-N 3.16Å; Q561-M563 PolarHBondContact O-N 2.9Å; M563-R566 PolarHBondContact O-N 3.06Å; M563-L567 HydrophobicContact CG-CD1 4.13Å; M563-L567 WeakPolarHBondContact O-CG 3.3Å; M563-L567 PolarHBondContact O-N 3.15Å; M563-I575 HydrophobicContact CE-CD1 3.88Å
564	M	69.2	Low	74	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	44%	0.444	C	S	.	.	H	α-helix	trans	-62.9	-43.5	178.1	-70.2	-166.5	83.3	0	0	111.9	I415 L547 L560 Q561 R566 L567 G568 L569 I575	I415-M564 HydrophobicContact CD1-CB 4.16Å; I415-M564 HydrophobicContact CD1-CE 4.2Å; I415-M564 HydrophobicContact CG1-CB 4.11Å; I415-M564 HydrophobicContact CG1-CE 3.47Å; I415-M564 VanDerWaalsContact CG1-CE 3.47Å; I415-M564 HydrophobicContact CG1-SD 3.67Å; L547-M564 HydrophobicContact CD1-CG 4.3Å; L547-M564 HydrophobicContact CD1-SD 3.58Å; L547-M564 VanDerWaalsContact CD1-SD 3.58Å; L547-M564 HydrophobicContact CG-SD 4.1Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 2.94Å; Q561-M564 PolarHBondContact O-N 3.01Å; M564-R566 VanDerWaalsContact C-N 3.31Å; M564-R566 PolarHBondContact O-N 2.7Å; M564-L567 PolarHBondContact O-N 3.16Å; M564-G568 PolarHBondContact O-N 3.31Å; M564-L569 HydrophobicContact CB-CD1 4.47Å; M564-L569 HydrophobicContact CE-CB 4.31Å; M564-L569 HydrophobicContact CE-CD1 3.66Å; M564-L569 HydrophobicContact CG-CD1 4.25Å; M564-L569 PolarHBondContact O-N 3.38Å; M564-I575 HydrophobicContact CE-CD1 3.78Å; M564-I575 HydrophobicContact CE-CG1 3.95Å; M564-I575 HydrophobicContact CG-CD1 3.53Å; M564-I575 HydrophobicContact SD-CD1 3.84Å
565	S	72.2	Confident	74.5	Confident	83 Å²	83	81.2 Å²	81.2	58%	0.58	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-35.9	175	-55.3	0	0	0	0	112.3	Q561 G568	Q561-S565 WeakPolarHBondContact O-CB 3.43Å; Q561-S565 PolarHBondContact O-N 3.23Å; Q561-S565 PolarHBondContact O-OG 2.98Å; S565-G568 PolarHBondContact O-N 2.92Å
566	R	72.4	Confident	75	Confident	224 Å²	224	82.5 Å²	82.5	85%	0.845	43%	0.433	S	S	*	.	H	α-helix	trans	-70.5	-32.7	175.1	-79.4	176.4	-176.3	-171.9	1.8	113.3	K562 M563 M564 G568	K562-R566 WeakPolarHBondContact O-CB 3.15Å; K562-R566 WeakPolarHBondContact O-CG 3.18Å; K562-R566 PolarHBondContact O-N 2.79Å; K562-R566 VanDerWaalsContact O-N 3.12Å; M563-R566 PolarHBondContact O-N 3.06Å; M564-R566 VanDerWaalsContact C-N 3.31Å; M564-R566 PolarHBondContact O-N 2.7Å; R566-G568 PolarHBondContact O-N 3.39Å
567	L	73.5	Confident	75.5	Confident	112 Å²	112	82.7 Å²	82.7	59%	0.586	43%	0.428	S	S	*	.	H	α-helix	trans	-76.1	-8.6	176.9	-70.9	171.2	0	0	0	112.7	M563 M564 L569	M563-L567 HydrophobicContact CG-CD1 4.13Å; M563-L567 WeakPolarHBondContact O-CG 3.3Å; M563-L567 PolarHBondContact O-N 3.15Å; M564-L567 PolarHBondContact O-N 3.16Å; L567-L569 VanDerWaalsContact C-N 3.26Å; L567-L569 HydrophobicContact CB-CD1 4.26Å; L567-L569 HydrophobicContact CB-CG 3.98Å; L567-L569 HydrophobicContact CD1-CD1 4.31Å; L567-L569 PolarHBondContact O-N 3.08Å
568	G	72.2	Confident	76.2	Confident	65 Å²	65	88.8 Å²	88.8	67%	0.67	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	25.1	-178.9	0	0	0	0	0	113.3	M564 S565 R566	M564-G568 PolarHBondContact O-N 3.31Å; S565-G568 PolarHBondContact O-N 2.92Å; R566-G568 PolarHBondContact O-N 3.39Å
569	L	73.7	Confident	76.5	Confident	44 Å²	44	90.4 Å²	90.4	23%	0.23	46%	0.462	C	S	.	.			trans	-70.5	135.2	176.7	-62.9	173.9	0	0	0	109.6	I415 M564 L567 T573 I575	I415-L569 HydrophobicContact CD1-CB 4.34Å; I415-L569 VanDerWaalsContact CD1-O 3.22Å; I415-L569 WeakPolarHBondContact CD1-O 3.41Å; M564-L569 HydrophobicContact CB-CD1 4.47Å; M564-L569 HydrophobicContact CE-CB 4.31Å; M564-L569 HydrophobicContact CE-CD1 3.66Å; M564-L569 HydrophobicContact CG-CD1 4.25Å; M564-L569 PolarHBondContact O-N 3.38Å; L567-L569 VanDerWaalsContact C-N 3.26Å; L567-L569 HydrophobicContact CB-CD1 4.26Å; L567-L569 HydrophobicContact CB-CG 3.98Å; L567-L569 HydrophobicContact CD1-CD1 4.31Å; L567-L569 PolarHBondContact O-N 3.08Å; L569-T573 HydrophobicContact CD2-CG2 3.66Å; L569-I575 HydrophobicContact CD1-CD1 3.95Å; L569-I575 HydrophobicContact CD1-CG1 3.72Å
570	D	79.9	Confident	76.8	Confident	83 Å²	83	81.1 Å²	81.1	44%	0.444	43%	0.429	S	S	.	.			trans	-85	174.9	171.2	69.7	7.2	0	0	0	111.2	S572 T573	D570-S572 VanDerWaalsContact CG-OG 3.23Å; D570-S572 PolarHBondContact O-N 3.4Å; D570-S572 VanDerWaalsContact O-N 3.12Å; D570-S572 WeakPolarHBondContact OD1-CA 3.26Å; D570-S572 PolarHBondContact OD1-N 2.67Å; D570-S572 PolarHBondContact OD1-OG 2.95Å; D570-S572 PolarHBondContact OD2-OG 3.41Å; D570-T573 PolarHBondContact O-N 3Å; D570-T573 WeakPolarHBondContact OD1-CB 3.33Å; D570-T573 PolarHBondContact OD1-N 3.48Å; D570-T573 PolarHBondContact OD1-OG1 3.48Å
571	D	79.6	Confident	77.4	Confident	75 Å²	75	79.2 Å²	79.2	40%	0.401	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.1	178.1	-86.7	14.6	0	0	0	113.3	S416 G419	S416-D571 WeakPolarHBondContact CB-OD2 3.22Å; S416-D571 PolarHBondContact OG-OD2 3.11Å; G419-D571 WeakPolarHBondContact CA-O 3.38Å
572	S	80.4	Confident	78	Confident	81 Å²	81	83.1 Å²	83.1	57%	0.566	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-16.2	-177	79.8	0	0	0	0	114	D570 P574	D570-S572 VanDerWaalsContact CG-OG 3.23Å; D570-S572 PolarHBondContact O-N 3.4Å; D570-S572 VanDerWaalsContact O-N 3.12Å; D570-S572 WeakPolarHBondContact OD1-CA 3.26Å; D570-S572 PolarHBondContact OD1-N 2.67Å; D570-S572 PolarHBondContact OD1-OG 2.95Å; D570-S572 PolarHBondContact OD2-OG 3.41Å; S572-P574 WeakPolarHBondContact O-CD 3.49Å
573	T	86.4	Confident	78.3	Confident	56 Å²	56	80.1 Å²	80.1	34%	0.344	43%	0.429	S	S	.	.			trans	-98	111.2	-174.2	-51.8	0	0	0	0	111.2	L569 D570	L569-T573 HydrophobicContact CD2-CG2 3.66Å; D570-T573 PolarHBondContact O-N 3Å; D570-T573 WeakPolarHBondContact OD1-CB 3.33Å; D570-T573 PolarHBondContact OD1-N 3.48Å; D570-T573 PolarHBondContact OD1-OG1 3.48Å
574	P	87.5	Confident	79	Confident	44 Å²	44	76.5 Å²	76.5	29%	0.286	41%	0.411	S	S	.	.			trans	-78	154.8	177.8	30.5	-33.5	0	0	0	112.6	L412 I413 Y414 S572	L412-P574 HydrophobicContact CB-CB 3.83Å; L412-P574 HydrophobicContact CB-CG 4.47Å; L412-P574 HydrophobicContact CD1-CG 4.41Å; L412-P574 HydrophobicContact CD2-CB 4.07Å; L412-P574 HydrophobicContact CD2-CG 4.08Å; L412-P574 HydrophobicContact CG-CB 4.38Å; I413-P574 CarbonylContact O-C 3.57Å; I413-P574 VanDerWaalsContact O-CA 3.31Å; I413-P574 WeakPolarHBondContact O-CA 3.35Å; Y414-P574 HydrophobicContact CD1-CB 4.34Å; Y414-P574 HydrophobicContact CD2-CB 4.45Å; Y414-P574 HydrophobicContact CE1-CB 3.83Å; Y414-P574 HydrophobicContact CE1-CG 4.14Å; Y414-P574 HydrophobicContact CE2-CB 3.94Å; S572-P574 WeakPolarHBondContact O-CD 3.49Å
575	I	83.5	Confident	79.8	Confident	29 Å²	29	80.5 Å²	80.5	15%	0.149	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.8	157.8	-67.9	168.5	0	0	0	108.4	I413 M563 M564 L569 V580	I413-I575 PolarHBondContact N-O 3.04Å; I413-I575 VanDerWaalsContact N-O 3.08Å; I413-I575 PolarHBondContact O-N 3.05Å; M563-I575 HydrophobicContact CE-CD1 3.88Å; M564-I575 HydrophobicContact CE-CD1 3.78Å; M564-I575 HydrophobicContact CE-CG1 3.95Å; M564-I575 HydrophobicContact CG-CD1 3.53Å; M564-I575 HydrophobicContact SD-CD1 3.84Å; L569-I575 HydrophobicContact CD1-CD1 3.95Å; L569-I575 HydrophobicContact CD1-CG1 3.72Å; I575-V580 HydrophobicContact CG2-CG2 4.2Å
576	E	83.6	Confident	80.5	Confident	105 Å²	105	80.4 Å²	80.4	49%	0.491	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.8	168.2	-169.1	171.4	-165.9	0	0	109.1	L412 R542	L412-E576 HydrophobicContact CD2-CB 3.64Å; L412-E576 HydrophobicContact CD2-CG 3.82Å; R542-E576 IonicContact CZ-OE1 2.8Å; R542-E576 IonicContact NH2-OE1 3Å; R542-E576 PolarHBondContact NH2-OE1 3.1Å; R542-E576 IonicContact NH2-OE2 3.69Å
577	S	77.9	Confident	81.1	Confident	45 Å²	45	70 Å²	70	32%	0.315	39%	0.392	S	S	.	.			trans	-156.5	130.9	175.8	171	0	0	0	0	112.1	M579 V580 S581	S577-M579 PolarHBondContact O-N 2.97Å; S577-M579 VanDerWaalsContact O-N 3.14Å; S577-M579 WeakPolarHBondContact OG-CB 3.27Å; S577-M579 PolarHBondContact OG-N 3.35Å; S577-V580 PolarHBondContact O-N 2.98Å; S577-S581 PolarHBondContact O-N 2.95Å; S577-S581 VanDerWaalsContact O-N 3.11Å
578	K	80.9	Confident	81.8	Confident	147 Å²	147	64.8 Å²	64.8	64%	0.639	36%	0.364	S	S	*	.	H	α-helix	trans	-56.8	-28.2	173	-66.8	-174	179.7	-175.7	0	112.8	V580 R582	K578-V580 VanDerWaalsContact C-N 3.32Å; K578-R582 WeakPolarHBondContact O-CG 3.47Å; K578-R582 PolarHBondContact O-N 2.71Å
579	M	75.1	Confident	82.6	Confident	151 Å²	151	68.2 Å²	68.2	74%	0.744	36%	0.361	S	S	*	.	H	α-helix	trans	-67.6	-36.5	176	-175.5	179.4	170.1	0	0	111.1	S577 A583	S577-M579 PolarHBondContact O-N 2.97Å; S577-M579 VanDerWaalsContact O-N 3.14Å; S577-M579 WeakPolarHBondContact OG-CB 3.27Å; S577-M579 PolarHBondContact OG-N 3.35Å; M579-A583 PolarHBondContact O-N 2.72Å; M579-A583 VanDerWaalsContact O-N 3.13Å
580	V	77.8	Confident	83.1	Confident	23 Å²	23	74.4 Å²	74.4	14%	0.139	38%	0.381	C	S	.	.	H	α-helix	trans	-78.3	-40.8	-179.1	-164.8	0	0	0	0	110.7	I413 I575 S577 K578 R582 A583 V584	I413-V580 HydrophobicContact CD1-CB 3.82Å; I413-V580 HydrophobicContact CD1-CG1 3.07Å; I575-V580 HydrophobicContact CG2-CG2 4.2Å; S577-V580 PolarHBondContact O-N 2.98Å; K578-V580 VanDerWaalsContact C-N 3.32Å; V580-R582 VanDerWaalsContact C-N 3.28Å; V580-R582 PolarHBondContact O-N 3.49Å; V580-A583 WeakPolarHBondContact O-CA 3.42Å; V580-A583 WeakPolarHBondContact O-CB 3.41Å; V580-A583 PolarHBondContact O-N 3.25Å; V580-V584 WeakPolarHBondContact O-CG2 3.22Å; V580-V584 PolarHBondContact O-N 2.84Å
581	S	82.7	Confident	83.3	Confident	12 Å²	12	71 Å²	71	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-54.3	-43.9	170.9	-64.5	0	0	0	0	112.1	D411 S577 A583 V584 E585	D411-S581 PolarHBondContact N-OG 2.99Å; D411-S581 PolarHBondContact OD2-OG 3.45Å; S577-S581 PolarHBondContact O-N 2.95Å; S577-S581 VanDerWaalsContact O-N 3.11Å; S581-A583 VanDerWaalsContact C-N 3.32Å; S581-A583 PolarHBondContact O-N 3.23Å; S581-V584 PolarHBondContact O-N 3.06Å; S581-E585 PolarHBondContact O-N 2.96Å
582	R	84.1	Confident	83.5	Confident	165 Å²	165	67.8 Å²	67.8	62%	0.623	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-33.5	174.6	-73.3	176.7	-173.5	161.9	1.2	113.7	K578 V580 V584 S586	K578-R582 WeakPolarHBondContact O-CG 3.47Å; K578-R582 PolarHBondContact O-N 2.71Å; V580-R582 VanDerWaalsContact C-N 3.28Å; V580-R582 PolarHBondContact O-N 3.49Å; R582-V584 VanDerWaalsContact C-N 3.34Å; R582-S586 WeakPolarHBondContact O-CB 3.27Å; R582-S586 PolarHBondContact O-N 3.3Å; R582-S586 PolarHBondContact O-OG 2.78Å
583	A	81.3	Confident	83.8	Confident	57 Å²	57	65.3 Å²	65.3	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-39	175.6	0	0	0	0	0	110.7	M579 V580 S581 S586 A587	M579-A583 PolarHBondContact O-N 2.72Å; M579-A583 VanDerWaalsContact O-N 3.13Å; V580-A583 WeakPolarHBondContact O-CA 3.42Å; V580-A583 WeakPolarHBondContact O-CB 3.41Å; V580-A583 PolarHBondContact O-N 3.25Å; S581-A583 VanDerWaalsContact C-N 3.32Å; S581-A583 PolarHBondContact O-N 3.23Å; A583-S586 PolarHBondContact O-N 2.79Å; A583-A587 WeakPolarHBondContact O-CB 3.44Å; A583-A587 PolarHBondContact O-N 2.82Å
584	V	85.1	Confident	83.5	Confident	4 Å²	4	67 Å²	67	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-44.2	174.2	-178.5	0	0	0	0	111.5	R518 L545 L551 M552 V580 S581 R582 S586 A587 Q588	R518-V584 HydrophobicContact CB-CG1 4.01Å; R518-V584 HydrophobicContact CG-CG1 3.7Å; L545-V584 HydrophobicContact CD1-CG2 4.23Å; L551-V584 HydrophobicContact CD2-CG1 3.88Å; M552-V584 HydrophobicContact SD-CG2 3.97Å; V580-V584 WeakPolarHBondContact O-CG2 3.22Å; V580-V584 PolarHBondContact O-N 2.84Å; S581-V584 PolarHBondContact O-N 3.06Å; R582-V584 VanDerWaalsContact C-N 3.34Å; V584-S586 VanDerWaalsContact C-N 3.32Å; V584-S586 PolarHBondContact O-N 2.78Å; V584-A587 CarbonylContact O-C 3.58Å; V584-A587 WeakPolarHBondContact O-CA 3.31Å; V584-A587 WeakPolarHBondContact O-CB 3.22Å; V584-A587 PolarHBondContact O-N 3.38Å; V584-A587 VanDerWaalsContact O-N 3.11Å; V584-Q588 WeakPolarHBondContact O-CG 3.15Å; V584-Q588 PolarHBondContact O-N 3.04Å
585	E	87.2	Confident	83.2	Confident	85 Å²	85	67.1 Å²	67.1	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-39.5	174.2	-72.6	171.1	-166.6	0	0	112.5	S581 A587 Q588 K589	S581-E585 PolarHBondContact O-N 2.96Å; E585-A587 VanDerWaalsContact C-N 3.26Å; E585-A587 PolarHBondContact O-N 3.08Å; E585-Q588 PolarHBondContact O-N 3.11Å; E585-K589 PolarHBondContact O-N 3.29Å
586	S	86.1	Confident	83.2	Confident	81 Å²	81	66.8 Å²	66.8	57%	0.566	34%	0.336	S	S	*	.	H	α-helix	trans	-65.6	-34.4	175.7	-59.7	0	0	0	0	111.6	R582 A583 V584 R590	R582-S586 WeakPolarHBondContact O-CB 3.27Å; R582-S586 PolarHBondContact O-N 3.3Å; R582-S586 PolarHBondContact O-OG 2.78Å; A583-S586 PolarHBondContact O-N 2.79Å; V584-S586 VanDerWaalsContact C-N 3.32Å; V584-S586 PolarHBondContact O-N 2.78Å; S586-R590 PolarHBondContact O-N 3.2Å
587	A	84.9	Confident	83.3	Confident	7 Å²	7	65.7 Å²	65.7	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-54	171.8	0	0	0	0	0	111.1	F555 A583 V584 E585 K589 R590 V591	F555-A587 HydrophobicContact CD1-CB 3.58Å; F555-A587 HydrophobicContact CD2-CB 3.24Å; F555-A587 VanDerWaalsContact CE1-CA 3.42Å; F555-A587 HydrophobicContact CE1-CB 3.49Å; F555-A587 VanDerWaalsContact CE1-CB 3.49Å; F555-A587 HydrophobicContact CE2-CB 3.22Å; F555-A587 HydrophobicContact CG-CB 3.49Å; F555-A587 VanDerWaalsContact CG-CB 3.49Å; F555-A587 HydrophobicContact CZ-CB 3.35Å; F555-A587 WeakPolarHBondContact CZ-O 3.18Å; A583-A587 WeakPolarHBondContact O-CB 3.44Å; A583-A587 PolarHBondContact O-N 2.82Å; V584-A587 CarbonylContact O-C 3.58Å; V584-A587 WeakPolarHBondContact O-CA 3.31Å; V584-A587 WeakPolarHBondContact O-CB 3.22Å; V584-A587 PolarHBondContact O-N 3.38Å; V584-A587 VanDerWaalsContact O-N 3.11Å; E585-A587 VanDerWaalsContact C-N 3.26Å; E585-A587 PolarHBondContact O-N 3.08Å; A587-K589 VanDerWaalsContact C-N 3.3Å; A587-K589 PolarHBondContact O-N 2.94Å; A587-R590 WeakPolarHBondContact O-CB 2.89Å; A587-R590 PolarHBondContact O-N 3.4Å; A587-V591 PolarHBondContact O-N 3.36Å; A587-V591 VanDerWaalsContact O-N 3.07Å
588	Q	88.7	Confident	83.3	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-53.8	-45.6	175.7	-66.3	172.3	-68.5	0	0	111.6	H519 R522 D525 L551 V584 E585 R590 V591 E592	H519-Q588 WeakPolarHBondContact O-CG 3.35Å; H519-Q588 PolarHBondContact O-NE2 3.01Å; R522-Q588 HydrophobicContact CG-CB 3.61Å; R522-Q588 HydrophobicContact CG-CG 4.26Å; D525-Q588 PolarHBondContact OD2-NE2 3.07Å; L551-Q588 HydrophobicContact CD2-CG 3.91Å; V584-Q588 WeakPolarHBondContact O-CG 3.15Å; V584-Q588 PolarHBondContact O-N 3.04Å; E585-Q588 PolarHBondContact O-N 3.11Å; Q588-R590 PolarHBondContact O-N 2.88Å; Q588-V591 PolarHBondContact O-N 2.98Å; Q588-E592 WeakPolarHBondContact O-CG 3.24Å; Q588-E592 PolarHBondContact O-N 2.81Å
589	K	87.6	Confident	83.2	Confident	136 Å²	136	59 Å²	59	59%	0.591	31%	0.305	S	S	*	.	H	α-helix	trans	-57	-35.9	176.9	-174.5	173.6	-177	-179.5	0	113.2	E585 A587 G593	E585-K589 PolarHBondContact O-N 3.29Å; A587-K589 VanDerWaalsContact C-N 3.3Å; A587-K589 PolarHBondContact O-N 2.94Å; K589-G593 PolarHBondContact O-N 2.69Å
590	R	85.2	Confident	83.7	Confident	174 Å²	174	56.6 Å²	56.6	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-72	-38.4	176.2	-171.1	178.5	179.6	-168.3	-2.4	111.6	F555 S586 A587 Q588 N594	F555-R590 HydrophobicContact CE1-CB 4.29Å; F555-R590 HydrophobicContact CZ-CB 4.42Å; S586-R590 PolarHBondContact O-N 3.2Å; A587-R590 WeakPolarHBondContact O-CB 2.89Å; A587-R590 PolarHBondContact O-N 3.4Å; Q588-R590 PolarHBondContact O-N 2.88Å; R590-N594 VanDerWaalsContact O-CG 3.27Å; R590-N594 PolarHBondContact O-N 2.88Å; R590-N594 VanDerWaalsContact O-N 3.09Å
591	V	84.2	Confident	83.8	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-45.6	175.4	-177	0	0	0	0	111	E520 L551 F555 A587 Q588 G593 N594 N595	E520-V591 HydrophobicContact CB-CG1 3.95Å; E520-V591 HydrophobicContact CG-CG1 4.47Å; L551-V591 HydrophobicContact CD1-CG2 4.19Å; F555-V591 HydrophobicContact CE2-CG2 3.65Å; F555-V591 HydrophobicContact CZ-CG2 3.5Å; A587-V591 PolarHBondContact O-N 3.36Å; A587-V591 VanDerWaalsContact O-N 3.07Å; Q588-V591 PolarHBondContact O-N 2.98Å; V591-G593 VanDerWaalsContact C-N 3.35Å; V591-G593 PolarHBondContact O-N 3.26Å; V591-N594 PolarHBondContact O-N 3.03Å; V591-N595 WeakPolarHBondContact O-CB 3.35Å; V591-N595 VanDerWaalsContact O-CG 3.27Å; V591-N595 PolarHBondContact O-N 3.36Å
592	E	84.4	Confident	83.7	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-46.2	174.9	-72.2	170.2	164.6	0	0	111.7	S521 R522 Q588 N594 N595 F596	S521-E592 WeakPolarHBondContact CA-OE1 3.28Å; S521-E592 PolarHBondContact OG-OE1 3.33Å; R522-E592 IonicContact CZ-OE2 3.96Å; R522-E592 PolarHBondContact N-OE1 3.4Å; R522-E592 IonicContact NE-OE1 2.91Å; R522-E592 IonicContact NE-OE2 2.79Å; R522-E592 PolarHBondContact NE-OE2 3.08Å; R522-E592 IonicContact NH2-OE2 2.74Å; R522-E592 PolarHBondContact NH2-OE2 2.96Å; Q588-E592 WeakPolarHBondContact O-CG 3.24Å; Q588-E592 PolarHBondContact O-N 2.81Å; E592-N594 PolarHBondContact O-N 2.81Å; E592-N595 PolarHBondContact O-N 3.21Å; E592-F596 WeakPolarHBondContact O-CB 3.09Å; E592-F596 PolarHBondContact O-N 2.97Å
593	G	85.4	Confident	83.8	Confident	29 Å²	29	58.1 Å²	58.1	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-44.2	175.8	0	0	0	0	0	113.1	K589 V591 N595 F596 D597	K589-G593 PolarHBondContact O-N 2.69Å; V591-G593 VanDerWaalsContact C-N 3.35Å; V591-G593 PolarHBondContact O-N 3.26Å; G593-N595 VanDerWaalsContact C-N 3.33Å; G593-N595 PolarHBondContact O-N 3.41Å; G593-F596 PolarHBondContact O-N 3.36Å; G593-D597 PolarHBondContact O-N 2.76Å
594	N	81.3	Confident	84.1	Confident	93 Å²	93	58.5 Å²	58.5	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-38.8	175.1	-70.7	-10.6	0	0	0	112.2	R590 V591 E592 D597 A598	R590-N594 VanDerWaalsContact O-CG 3.27Å; R590-N594 PolarHBondContact O-N 2.88Å; R590-N594 VanDerWaalsContact O-N 3.09Å; V591-N594 PolarHBondContact O-N 3.03Å; E592-N594 PolarHBondContact O-N 2.81Å; N594-D597 PolarHBondContact O-N 2.92Å; N594-A598 WeakPolarHBondContact O-CB 3.4Å; N594-A598 PolarHBondContact O-N 3.43Å
595	N	80.3	Confident	84.2	Confident	45 Å²	45	59.2 Å²	59.2	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-40.7	177.3	-73.6	-17.2	0	0	0	111.2	V591 E592 G593 A598 R599	V591-N595 WeakPolarHBondContact O-CB 3.35Å; V591-N595 VanDerWaalsContact O-CG 3.27Å; V591-N595 PolarHBondContact O-N 3.36Å; E592-N595 PolarHBondContact O-N 3.21Å; G593-N595 VanDerWaalsContact C-N 3.33Å; G593-N595 PolarHBondContact O-N 3.41Å; N595-A598 PolarHBondContact O-N 3.24Å; N595-R599 WeakPolarHBondContact O-CG 3.34Å; N595-R599 PolarHBondContact O-N 3.44Å
596	F	84.4	Confident	84.1	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.096	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-48.2	172.6	170.8	-121.3	0	0	0	111.2	E385 E386 E592 G593 A598 R599 K600	E385-F596 HydrophobicContact CG-CE1 4.36Å; E385-F596 HydrophobicContact CG-CZ 4.47Å; E386-F596 HydrophobicContact CB-CD2 3.66Å; E386-F596 HydrophobicContact CB-CE2 3.64Å; E386-F596 HydrophobicContact CG-CD2 3.64Å; E386-F596 HydrophobicContact CG-CE2 3.67Å; E386-F596 WeakPolarHBondContact OE2-CD2 3.35Å; E592-F596 WeakPolarHBondContact O-CB 3.09Å; E592-F596 PolarHBondContact O-N 2.97Å; G593-F596 PolarHBondContact O-N 3.36Å; F596-A598 VanDerWaalsContact C-N 3.28Å; F596-A598 PolarHBondContact O-N 3.28Å; F596-R599 PolarHBondContact O-N 3.4Å; F596-K600 WeakPolarHBondContact O-CB 3.14Å; F596-K600 PolarHBondContact O-N 2.89Å
597	D	84.1	Confident	84.3	Confident	82 Å²	82	54.9 Å²	54.9	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-35	176.8	-73.5	-25.8	0	0	0	112.5	G593 N594 R601	G593-D597 PolarHBondContact O-N 2.76Å; N594-D597 PolarHBondContact O-N 2.92Å; D597-R601 WeakPolarHBondContact O-CG 3.43Å; D597-R601 PolarHBondContact O-N 2.76Å; D597-R601 PolarHBondContact O-NE 3.46Å
598	A	79.5	Confident	84.5	Confident	37 Å²	37	55.4 Å²	55.4	31%	0.306	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-47.7	173.3	0	0	0	0	0	111.8	N594 N595 F596 R601 I602	N594-A598 WeakPolarHBondContact O-CB 3.4Å; N594-A598 PolarHBondContact O-N 3.43Å; N595-A598 PolarHBondContact O-N 3.24Å; F596-A598 VanDerWaalsContact C-N 3.28Å; F596-A598 PolarHBondContact O-N 3.28Å; A598-R601 PolarHBondContact O-N 2.98Å; A598-I602 WeakPolarHBondContact O-CG1 3.44Å; A598-I602 PolarHBondContact O-N 2.98Å
599	R	79	Confident	84.6	Confident	16 Å²	16	56.3 Å²	56.3	6%	0.06	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177	-75.8	-170	-65.9	-93.1	1.9	112.3	E386 N595 F596 R601 I602 L603	E386-R599 WeakPolarHBondContact OE1-CD 3.46Å; E386-R599 IonicContact OE1-CZ 3.97Å; E386-R599 IonicContact OE1-NE 2.88Å; E386-R599 PolarHBondContact OE1-NE 3.01Å; E386-R599 IonicContact OE1-NH2 3.16Å; E386-R599 IonicContact OE2-CZ 2.82Å; E386-R599 IonicContact OE2-NE 2.74Å; E386-R599 PolarHBondContact OE2-NE 3.07Å; E386-R599 IonicContact OE2-NH2 2.74Å; E386-R599 PolarHBondContact OE2-NH2 2.76Å; N595-R599 WeakPolarHBondContact O-CG 3.34Å; N595-R599 PolarHBondContact O-N 3.44Å; F596-R599 PolarHBondContact O-N 3.4Å; R599-R601 VanDerWaalsContact C-N 3.29Å; R599-R601 PolarHBondContact O-N 3.12Å; R599-I602 PolarHBondContact O-N 2.82Å; R599-I602 VanDerWaalsContact O-N 3.16Å; R599-L603 PolarHBondContact O-N 3.47Å
600	K	84	Confident	84.8	Confident	99 Å²	99	52.6 Å²	52.6	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-43.8	175.9	-178.2	178.6	175.5	-177.5	0	111.4	F596 L603 E604	F596-K600 WeakPolarHBondContact O-CB 3.14Å; F596-K600 PolarHBondContact O-N 2.89Å; K600-L603 WeakPolarHBondContact O-CB 3.24Å; K600-L603 PolarHBondContact O-N 3.03Å; K600-E604 WeakPolarHBondContact O-CG 3.5Å; K600-E604 PolarHBondContact O-N 3.4Å; K600-E604 VanDerWaalsContact O-N 3.11Å
601	R	81.4	Confident	85.1	Confident	143 Å²	143	49.4 Å²	49.4	54%	0.54	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-45.7	175.1	-76.4	-179.5	-69.6	-163.6	1.2	111.9	D597 A598 R599 L603 E604 Y605	D597-R601 WeakPolarHBondContact O-CG 3.43Å; D597-R601 PolarHBondContact O-N 2.76Å; D597-R601 PolarHBondContact O-NE 3.46Å; A598-R601 PolarHBondContact O-N 2.98Å; R599-R601 VanDerWaalsContact C-N 3.29Å; R599-R601 PolarHBondContact O-N 3.12Å; R601-L603 VanDerWaalsContact C-N 3.29Å; R601-L603 PolarHBondContact O-N 3.39Å; R601-E604 WeakPolarHBondContact O-CB 3.34Å; R601-E604 PolarHBondContact O-N 2.7Å; R601-E604 VanDerWaalsContact O-N 3.1Å; R601-Y605 WeakPolarHBondContact O-CD2 3.25Å; R601-Y605 PolarHBondContact O-N 3.49Å
602	I	80.4	Confident	85.6	Confident	72 Å²	72	49.3 Å²	49.3	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-45.8	176.9	-66.4	166.5	0	0	0	110.6	A598 R599 E604 Y605 D606	A598-I602 WeakPolarHBondContact O-CG1 3.44Å; A598-I602 PolarHBondContact O-N 2.98Å; R599-I602 PolarHBondContact O-N 2.82Å; R599-I602 VanDerWaalsContact O-N 3.16Å; I602-E604 VanDerWaalsContact C-N 3.27Å; I602-E604 PolarHBondContact O-N 3.12Å; I602-Y605 PolarHBondContact O-N 2.9Å; I602-Y605 VanDerWaalsContact O-N 3.11Å; I602-D606 PolarHBondContact O-N 2.88Å
603	L	84.8	Confident	86.1	Confident	17 Å²	17	49.8 Å²	49.8	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-37.4	176.8	179.4	62.9	0	0	0	112.7	Q364 I390 R599 K600 R601 Y605 D606 E607	Q364-L603 HydrophobicContact CB-CD1 4.09Å; I390-L603 HydrophobicContact CB-CD2 4.36Å; I390-L603 HydrophobicContact CD1-CD2 4.01Å; I390-L603 HydrophobicContact CG1-CD2 3.83Å; I390-L603 HydrophobicContact CG2-CD2 3.87Å; R599-L603 PolarHBondContact O-N 3.47Å; K600-L603 WeakPolarHBondContact O-CB 3.24Å; K600-L603 PolarHBondContact O-N 3.03Å; R601-L603 VanDerWaalsContact C-N 3.29Å; R601-L603 PolarHBondContact O-N 3.39Å; L603-Y605 VanDerWaalsContact C-N 3.33Å; L603-Y605 PolarHBondContact O-N 3.47Å; L603-D606 PolarHBondContact O-N 2.94Å; L603-E607 WeakPolarHBondContact O-CB 3.37Å; L603-E607 PolarHBondContact O-N 2.85Å
604	E	87.7	Confident	86.4	Confident	65 Å²	65	53.2 Å²	53.2	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-35.8	177.5	-69.8	165.3	168.4	0	0	112.4	K600 R601 I602 L752	K600-E604 WeakPolarHBondContact O-CG 3.5Å; K600-E604 PolarHBondContact O-N 3.4Å; K600-E604 VanDerWaalsContact O-N 3.11Å; R601-E604 WeakPolarHBondContact O-CB 3.34Å; R601-E604 PolarHBondContact O-N 2.7Å; R601-E604 VanDerWaalsContact O-N 3.1Å; I602-E604 VanDerWaalsContact C-N 3.27Å; I602-E604 PolarHBondContact O-N 3.12Å; E604-L752 HydrophobicContact CB-CD1 3.91Å; E604-L752 HydrophobicContact CB-CD2 3.64Å; E604-L752 HydrophobicContact CB-CG 4.43Å; E604-L752 HydrophobicContact CG-CD2 4.22Å
605	Y	87	Confident	87.1	Confident	20 Å²	20	53 Å²	53	8%	0.078	25%	0.25	C	C	.	.	H	α-helix	trans	-70.4	-46	172.5	-70.1	-88.5	0	0	0	111	R601 I602 L603 E607 V608 R738 I741 L752 Y755	R601-Y605 WeakPolarHBondContact O-CD2 3.25Å; R601-Y605 PolarHBondContact O-N 3.49Å; I602-Y605 PolarHBondContact O-N 2.9Å; I602-Y605 VanDerWaalsContact O-N 3.11Å; L603-Y605 VanDerWaalsContact C-N 3.33Å; L603-Y605 PolarHBondContact O-N 3.47Å; Y605-E607 PolarHBondContact O-N 3.31Å; Y605-V608 WeakPolarHBondContact O-CB 3.39Å; Y605-V608 PolarHBondContact O-N 2.88Å; Y605-V608 VanDerWaalsContact O-N 3.15Å; Y605-R738 HydrophobicContact CD1-CG 4.47Å; Y605-I741 HydrophobicContact CE1-CG2 4.12Å; Y605-L752 HydrophobicContact CD1-CD1 3.92Å; Y605-L752 HydrophobicContact CD2-CD1 4.14Å; Y605-L752 HydrophobicContact CE1-CB 4.27Å; Y605-L752 HydrophobicContact CE1-CD1 3.99Å; Y605-L752 HydrophobicContact CE2-CB 4.45Å; Y605-L752 HydrophobicContact CE2-CD1 4.18Å; Y605-L752 HydrophobicContact CG-CD1 3.97Å; Y605-L752 PolarHBondContact OH-N 2.93Å; Y605-Y755 AromaticContact CD1-CD1 3.49Å; Y605-Y755 HydrophobicContact CD1-CD1 3.49Å; Y605-Y755 VanDerWaalsContact CD1-CD1 3.49Å; Y605-Y755 AromaticContact CD1-CD2 3.97Å; Y605-Y755 HydrophobicContact CD1-CD2 3.97Å; Y605-Y755 AromaticContact CD1-CE1 3.91Å; Y605-Y755 HydrophobicContact CD1-CE1 3.91Å; Y605-Y755 HydrophobicContact CD1-CE2 4.4Å; Y605-Y755 AromaticContact CD1-CG 3.5Å; Y605-Y755 HydrophobicContact CD1-CG 3.5Å; Y605-Y755 HydrophobicContact CE1-CD1 4.23Å; Y605-Y755 HydrophobicContact CE1-CD2 4.38Å; Y605-Y755 AromaticContact CE1-CG 3.88Å; Y605-Y755 HydrophobicContact CE1-CG 3.88Å; Y605-Y755 HydrophobicContact CG-CD1 4.38Å; Y605-Y755 WeakPolarHBondContact O-CE1 3.45Å
606	D	86.8	Confident	87.8	Confident	10 Å²	10	51 Å²	51	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-25.2	-178.9	-65.1	-16.4	0	0	0	112	T362 I602 L603 V608 L609 R610 R738	T362-D606 WeakPolarHBondContact CG2-OD2 3.29Å; I602-D606 PolarHBondContact O-N 2.88Å; L603-D606 PolarHBondContact O-N 2.94Å; D606-V608 VanDerWaalsContact C-N 3.25Å; D606-V608 PolarHBondContact O-N 3.42Å; D606-L609 PolarHBondContact O-N 3.01Å; D606-R610 WeakPolarHBondContact O-CB 3.41Å; D606-R610 PolarHBondContact O-N 2.87Å; D606-R738 IonicContact OD1-NH1 2.94Å; D606-R738 PolarHBondContact OD1-NH1 3.31Å
607	E	88.4	Confident	88.3	Confident	64 Å²	64	50.3 Å²	50.3	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-31	175.6	-170.2	179.5	169.3	0	0	112.4	L603 Y605 R610 K611	L603-E607 WeakPolarHBondContact O-CB 3.37Å; L603-E607 PolarHBondContact O-N 2.85Å; Y605-E607 PolarHBondContact O-N 3.31Å; E607-R610 PolarHBondContact O-N 3.25Å; E607-K611 WeakPolarHBondContact O-CG 3.47Å; E607-K611 PolarHBondContact O-N 3.15Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 WeakPolarHBondContact OE1-CE 3.23Å; E607-K611 IonicContact OE1-NZ 3.76Å
608	V	91	Very high	88.7	Confident	18 Å²	18	51 Å²	51	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-54.1	175.8	-175.4	0	0	0	0	109.8	Y605 D606 R610 K611 Q612 M734 Y755 Q756	Y605-V608 WeakPolarHBondContact O-CB 3.39Å; Y605-V608 PolarHBondContact O-N 2.88Å; Y605-V608 VanDerWaalsContact O-N 3.15Å; D606-V608 VanDerWaalsContact C-N 3.25Å; D606-V608 PolarHBondContact O-N 3.42Å; V608-R610 VanDerWaalsContact C-N 3.26Å; V608-R610 PolarHBondContact O-N 3.2Å; V608-K611 PolarHBondContact O-N 2.86Å; V608-Q612 PolarHBondContact O-N 3.28Å; V608-M734 HydrophobicContact CG1-CE 4.07Å; V608-Y755 HydrophobicContact CB-CD1 4.33Å; V608-Y755 HydrophobicContact CB-CE1 3.88Å; V608-Y755 HydrophobicContact CG1-CE1 4.28Å; V608-Y755 HydrophobicContact CG2-CD1 3.96Å; V608-Y755 HydrophobicContact CG2-CE1 3.96Å; V608-Q756 HydrophobicContact CG2-CG 3.51Å
609	L	90.3	Very high	89.4	Confident	21 Å²	21	52.4 Å²	52.4	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-35.2	176.4	-85.6	173.4	0	0	0	112.1	D606 Q612 R613 M734	D606-L609 PolarHBondContact O-N 3.01Å; L609-Q612 PolarHBondContact O-N 3.1Å; L609-R613 VanDerWaalsContact O-CB 3.27Å; L609-R613 WeakPolarHBondContact O-CB 3.18Å; L609-R613 PolarHBondContact O-N 2.95Å; L609-M734 HydrophobicContact CD1-CB 4.11Å; L609-M734 HydrophobicContact CD2-CB 3.64Å; L609-M734 HydrophobicContact CD2-CE 4.18Å; L609-M734 HydrophobicContact CD2-CG 3.73Å; L609-M734 HydrophobicContact CG-CB 4.13Å; L609-M734 HydrophobicContact CG-CE 4.16Å; L609-M734 HydrophobicContact CG-CG 4.49Å
610	R	90.8	Very high	90.1	Very high	58 Å²	58	51.7 Å²	51.7	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-45.4	176.7	-173.2	-161	63.8	73.9	0.2	111.9	N365 D606 E607 V608 R613 E614	N365-R610 HydrophobicContact CB-CG 4.29Å; N365-R610 WeakPolarHBondContact OD1-CD 3.38Å; D606-R610 WeakPolarHBondContact O-CB 3.41Å; D606-R610 PolarHBondContact O-N 2.87Å; E607-R610 PolarHBondContact O-N 3.25Å; V608-R610 VanDerWaalsContact C-N 3.26Å; V608-R610 PolarHBondContact O-N 3.2Å; R610-R613 PolarHBondContact O-N 3.28Å; R610-E614 IonicContact CZ-OE2 3.43Å; R610-E614 IonicContact NH1-OE2 3.7Å; R610-E614 PolarHBondContact NH1-OE2 3.08Å; R610-E614 WeakPolarHBondContact O-CB 3.35Å; R610-E614 PolarHBondContact O-N 2.89Å
611	K	92.9	Very high	90.5	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-64.5	-42	179.6	-72.1	174.3	-177.6	172.9	0	111.5	E607 V608 E614 I615	E607-K611 WeakPolarHBondContact O-CG 3.47Å; E607-K611 PolarHBondContact O-N 3.15Å; E607-K611 VanDerWaalsContact O-N 3.12Å; E607-K611 WeakPolarHBondContact OE1-CE 3.23Å; E607-K611 IonicContact OE1-NZ 3.76Å; V608-K611 PolarHBondContact O-N 2.86Å; K611-E614 PolarHBondContact O-N 2.89Å; K611-I615 WeakPolarHBondContact O-CG1 3.36Å; K611-I615 PolarHBondContact O-N 3.09Å
612	Q	94.9	Very high	91	Very high	11 Å²	11	44 Å²	44	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-45.4	175.9	-67.5	172.6	-11.3	0	0	111.2	V608 L609 E614 I615 I616 W727 H730 G759 F763	V608-Q612 PolarHBondContact O-N 3.28Å; L609-Q612 PolarHBondContact O-N 3.1Å; Q612-E614 VanDerWaalsContact C-N 3.32Å; Q612-E614 PolarHBondContact O-N 3.46Å; Q612-I615 PolarHBondContact O-N 3.04Å; Q612-I616 WeakPolarHBondContact O-CG1 3.46Å; Q612-I616 PolarHBondContact O-N 2.94Å; Q612-W727 HydrophobicContact CB-CH2 4.05Å; Q612-W727 HydrophobicContact CB-CZ3 4.04Å; Q612-H730 PolarHBondContact OE1-NE2 3.46Å; Q612-G759 PolarHBondContact NE2-O 2.94Å; Q612-F763 HydrophobicContact CB-CD2 3.67Å; Q612-F763 HydrophobicContact CB-CE2 3.56Å; Q612-F763 HydrophobicContact CB-CG 4.4Å; Q612-F763 HydrophobicContact CB-CZ 4.22Å; Q612-F763 HydrophobicContact CG-CB 4.26Å; Q612-F763 HydrophobicContact CG-CD1 4.25Å; Q612-F763 HydrophobicContact CG-CD2 3.51Å; Q612-F763 HydrophobicContact CG-CE2 3.82Å; Q612-F763 HydrophobicContact CG-CG 3.74Å; Q612-F763 HydrophobicContact CG-CZ 4.31Å
613	R	93.2	Very high	91.6	Very high	17 Å²	17	40.6 Å²	40.6	6%	0.064	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-42.9	175.5	-174.4	-179.9	-52.2	-65.2	-14.1	112.5	S360 L609 R610 I615 I616 Y617 W727	S360-R613 PolarHBondContact O-NE 2.91Å; S360-R613 PolarHBondContact O-NH1 3.28Å; S360-R613 PolarHBondContact O-NH2 3.23Å; L609-R613 VanDerWaalsContact O-CB 3.27Å; L609-R613 WeakPolarHBondContact O-CB 3.18Å; L609-R613 PolarHBondContact O-N 2.95Å; R610-R613 PolarHBondContact O-N 3.28Å; R613-I615 VanDerWaalsContact C-N 3.3Å; R613-I615 PolarHBondContact O-N 3.41Å; R613-I616 PolarHBondContact O-N 2.85Å; R613-Y617 HydrophobicContact CG-CD1 4.05Å; R613-Y617 HydrophobicContact CG-CD2 3.68Å; R613-Y617 HydrophobicContact CG-CE1 3.87Å; R613-Y617 HydrophobicContact CG-CE2 3.51Å; R613-Y617 HydrophobicContact CG-CG 3.95Å; R613-Y617 PolarHBondContact NH1-OH 3.12Å; R613-Y617 VanDerWaalsContact O-CB 3.29Å; R613-Y617 WeakPolarHBondContact O-CB 3.37Å; R613-Y617 PolarHBondContact O-N 3.39Å; R613-W727 HydrophobicContact CB-CH2 3.97Å; R613-W727 HydrophobicContact CB-CZ2 3.69Å; R613-W727 HydrophobicContact CG-CZ2 3.96Å
614	E	92.9	Very high	91.9	Very high	100 Å²	100	40.3 Å²	40.3	47%	0.467	20%	0.196	S	C	.	.	H	α-helix	trans	-59.2	-43.1	178.5	-175.1	177.2	169.1	0	0	111.3	R610 K611 Q612 N618	R610-E614 IonicContact CZ-OE2 3.43Å; R610-E614 IonicContact NH1-OE2 3.7Å; R610-E614 PolarHBondContact NH1-OE2 3.08Å; R610-E614 WeakPolarHBondContact O-CB 3.35Å; R610-E614 PolarHBondContact O-N 2.89Å; K611-E614 PolarHBondContact O-N 2.89Å; Q612-E614 VanDerWaalsContact C-N 3.32Å; Q612-E614 PolarHBondContact O-N 3.46Å; E614-N618 VanDerWaalsContact O-CB 3.27Å; E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 PolarHBondContact O-N 2.95Å; E614-N618 PolarHBondContact O-ND2 2.73Å
615	I	95.1	Very high	92	Very high	89 Å²	89	41.4 Å²	41.4	46%	0.456	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-53.2	176	-63.9	165.3	0	0	0	110.3	K611 Q612 R613 Y617 N618 E619 F763	K611-I615 WeakPolarHBondContact O-CG1 3.36Å; K611-I615 PolarHBondContact O-N 3.09Å; Q612-I615 PolarHBondContact O-N 3.04Å; R613-I615 VanDerWaalsContact C-N 3.3Å; R613-I615 PolarHBondContact O-N 3.41Å; I615-Y617 PolarHBondContact O-N 2.81Å; I615-N618 PolarHBondContact O-N 3.08Å; I615-E619 PolarHBondContact O-N 3.27Å; I615-F763 HydrophobicContact CB-CZ 4.23Å; I615-F763 HydrophobicContact CD1-CE1 4.1Å; I615-F763 HydrophobicContact CD1-CZ 4.15Å; I615-F763 HydrophobicContact CG2-CZ 4.16Å
616	I	95.4	Very high	92.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-176.7	-65	-62.8	0	0	0	111.8	Q612 R613 E619 R620 I723 W727 F763 M766 M767 I770	Q612-I616 WeakPolarHBondContact O-CG1 3.46Å; Q612-I616 PolarHBondContact O-N 2.94Å; R613-I616 PolarHBondContact O-N 2.85Å; I616-E619 PolarHBondContact O-N 2.88Å; I616-R620 VanDerWaalsContact O-CB 3.25Å; I616-R620 WeakPolarHBondContact O-CB 3.49Å; I616-R620 PolarHBondContact O-N 2.86Å; I616-I723 HydrophobicContact CG2-CG2 3.7Å; I616-W727 HydrophobicContact CB-CD2 4.33Å; I616-W727 HydrophobicContact CB-CE3 4.44Å; I616-W727 HydrophobicContact CG1-CD2 4.14Å; I616-W727 HydrophobicContact CG1-CE3 3.79Å; I616-W727 HydrophobicContact CG1-CZ3 4.07Å; I616-W727 HydrophobicContact CG2-CB 4.24Å; I616-W727 HydrophobicContact CG2-CD2 4.02Å; I616-W727 HydrophobicContact CG2-CG 3.87Å; I616-F763 HydrophobicContact CD1-CE2 4.14Å; I616-F763 HydrophobicContact CD1-CZ 4.36Å; I616-F763 HydrophobicContact CG1-CE2 3.94Å; I616-F763 HydrophobicContact CG1-CZ 4.35Å; I616-M766 HydrophobicContact CD1-CE 3.64Å; I616-M766 HydrophobicContact CG1-CE 4.15Å; I616-M767 HydrophobicContact CD1-SD 3.58Å; I616-M767 VanDerWaalsContact CD1-SD 3.58Å; I616-I770 HydrophobicContact CD1-CD1 4.4Å
617	Y	93.9	Very high	92.1	Very high	8 Å²	8	53.3 Å²	53.3	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-71.6	-33.5	-178.4	-72	6.6	0	0	0	111.9	Y190 N194 R613 I615 N621 W727	Y190-Y617 HydrophobicContact CE1-CE2 4.12Å; Y190-Y617 WeakPolarHBondContact OH-CD2 3.1Å; N194-Y617 HydrophobicContact CB-CD1 4.41Å; N194-Y617 HydrophobicContact CB-CD2 3.74Å; N194-Y617 HydrophobicContact CB-CE1 4.23Å; N194-Y617 HydrophobicContact CB-CE2 3.49Å; N194-Y617 VanDerWaalsContact CB-CE2 3.49Å; N194-Y617 HydrophobicContact CB-CG 4.2Å; N194-Y617 VanDerWaalsContact CG-CE2 3.48Å; N194-Y617 WeakPolarHBondContact OD1-CD2 3.39Å; R613-Y617 HydrophobicContact CG-CD1 4.05Å; R613-Y617 HydrophobicContact CG-CD2 3.68Å; R613-Y617 HydrophobicContact CG-CE1 3.87Å; R613-Y617 HydrophobicContact CG-CE2 3.51Å; R613-Y617 HydrophobicContact CG-CG 3.95Å; R613-Y617 PolarHBondContact NH1-OH 3.12Å; R613-Y617 VanDerWaalsContact O-CB 3.29Å; R613-Y617 WeakPolarHBondContact O-CB 3.37Å; R613-Y617 PolarHBondContact O-N 3.39Å; I615-Y617 PolarHBondContact O-N 2.81Å; Y617-N621 VanDerWaalsContact O-CB 3.22Å; Y617-N621 WeakPolarHBondContact O-CB 3.25Å; Y617-N621 PolarHBondContact O-N 3.47Å; Y617-N621 PolarHBondContact O-ND2 2.96Å; Y617-W727 AromaticContact CE1-NE1 3.49Å
618	N	93.4	Very high	92.2	Very high	95 Å²	95	53.7 Å²	53.7	51%	0.508	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-47.4	173.2	-73	-21.8	0	0	0	110.9	E614 I615 N621 S622	E614-N618 VanDerWaalsContact O-CB 3.27Å; E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 PolarHBondContact O-N 2.95Å; E614-N618 PolarHBondContact O-ND2 2.73Å; I615-N618 PolarHBondContact O-N 3.08Å; N618-N621 PolarHBondContact O-N 3.1Å; N618-S622 PolarHBondContact O-N 3.19Å; N618-S622 PolarHBondContact O-OG 2.98Å; N618-S622 VanDerWaalsContact O-OG 3.09Å
619	E	94	Very high	92.2	Very high	67 Å²	67	52.9 Å²	52.9	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-49.7	177.4	-167.8	63.6	-157.2	0	0	111.2	I615 I616 N621 S622 I623 V632 I723	I615-E619 PolarHBondContact O-N 3.27Å; I616-E619 PolarHBondContact O-N 2.88Å; E619-N621 VanDerWaalsContact C-N 3.32Å; E619-N621 PolarHBondContact O-N 3.25Å; E619-S622 WeakPolarHBondContact O-CB 3.5Å; E619-S622 PolarHBondContact O-N 3.3Å; E619-I623 HydrophobicContact CG-CD1 4.16Å; E619-I623 WeakPolarHBondContact O-CD1 3.22Å; E619-I623 WeakPolarHBondContact O-CG1 3.08Å; E619-I623 PolarHBondContact O-N 3.04Å; E619-V632 WeakPolarHBondContact OE1-CG1 3.37Å; E619-I723 HydrophobicContact CG-CD1 4.44Å
620	R	94	Very high	92.3	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-43.4	177.5	-165.8	-176.6	-172	-80.1	-5	112.1	N194 M195 V196 I616 I623 I624 L720 D724	N194-R620 WeakPolarHBondContact O-CD 3.38Å; N194-R620 PolarHBondContact O-NE 2.82Å; N194-R620 PolarHBondContact O-NH1 3Å; M195-R620 VanDerWaalsContact C-NH2 3.32Å; M195-R620 PolarHBondContact O-NH2 2.86Å; V196-R620 PolarHBondContact O-NH1 2.81Å; V196-R620 PolarHBondContact O-NH2 2.85Å; I616-R620 VanDerWaalsContact O-CB 3.25Å; I616-R620 WeakPolarHBondContact O-CB 3.49Å; I616-R620 PolarHBondContact O-N 2.86Å; R620-I623 PolarHBondContact O-N 3.21Å; R620-I624 HydrophobicContact CG-CD1 4.17Å; R620-I624 WeakPolarHBondContact O-CG1 3.44Å; R620-I624 PolarHBondContact O-N 3.13Å; R620-I624 VanDerWaalsContact O-N 3.1Å; R620-L720 HydrophobicContact CG-CD2 3.49Å; R620-L720 VanDerWaalsContact CG-CD2 3.49Å; R620-D724 IonicContact CZ-OD1 2.81Å; R620-D724 IonicContact CZ-OD2 3.67Å; R620-D724 IonicContact NE-OD1 2.86Å; R620-D724 PolarHBondContact NE-OD1 3.34Å; R620-D724 IonicContact NE-OD2 2.78Å; R620-D724 PolarHBondContact NE-OD2 2.91Å; R620-D724 IonicContact NH2-OD1 3.79Å; R620-D724 IonicContact NH2-OD2 2.77Å; R620-D724 PolarHBondContact NH2-OD2 3.31Å
621	N	91.9	Very high	92.4	Very high	35 Å²	35	57.6 Å²	57.6	19%	0.187	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-38.2	179.2	-72	-30.1	0	0	0	111.8	R202 Y617 N618 E619 I624 D625	R202-N621 PolarHBondContact NH2-OD1 3.17Å; Y617-N621 VanDerWaalsContact O-CB 3.22Å; Y617-N621 WeakPolarHBondContact O-CB 3.25Å; Y617-N621 PolarHBondContact O-N 3.47Å; Y617-N621 PolarHBondContact O-ND2 2.96Å; N618-N621 PolarHBondContact O-N 3.1Å; E619-N621 VanDerWaalsContact C-N 3.32Å; E619-N621 PolarHBondContact O-N 3.25Å; N621-I624 PolarHBondContact O-N 2.98Å; N621-D625 VanDerWaalsContact O-CB 3.24Å; N621-D625 WeakPolarHBondContact O-CB 3.41Å; N621-D625 VanDerWaalsContact O-CG 3.23Å; N621-D625 PolarHBondContact O-N 3.31Å
622	S	92.3	Very high	92.5	Very high	46 Å²	46	53.9 Å²	53.9	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-45.7	172.5	-58.7	0	0	0	0	111.5	N618 E619 I624 D625 E626	N618-S622 PolarHBondContact O-N 3.19Å; N618-S622 PolarHBondContact O-OG 2.98Å; N618-S622 VanDerWaalsContact O-OG 3.09Å; E619-S622 WeakPolarHBondContact O-CB 3.5Å; E619-S622 PolarHBondContact O-N 3.3Å; S622-I624 VanDerWaalsContact C-N 3.28Å; S622-I624 PolarHBondContact O-N 3.45Å; S622-D625 PolarHBondContact O-N 2.98Å; S622-E626 VanDerWaalsContact O-CB 3.25Å; S622-E626 WeakPolarHBondContact O-CB 3.33Å; S622-E626 WeakPolarHBondContact O-CG 3.36Å; S622-E626 PolarHBondContact O-N 2.89Å
623	I	93.2	Very high	92.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-38	177.8	-65.7	158.7	0	0	0	111.9	E619 R620 R716 L719 L720 I723	E619-I623 HydrophobicContact CG-CD1 4.16Å; E619-I623 WeakPolarHBondContact O-CD1 3.22Å; E619-I623 WeakPolarHBondContact O-CG1 3.08Å; E619-I623 PolarHBondContact O-N 3.04Å; R620-I623 PolarHBondContact O-N 3.21Å; I623-R716 HydrophobicContact CG2-CB 4.24Å; I623-R716 HydrophobicContact CG2-CG 3.97Å; I623-R716 PolarHBondContact O-NE 3.06Å; I623-L719 HydrophobicContact CD1-CB 4.01Å; I623-L719 HydrophobicContact CD1-CD1 4.29Å; I623-L719 HydrophobicContact CG1-CD1 4.23Å; I623-L719 HydrophobicContact CG2-CB 4.23Å; I623-L719 HydrophobicContact CG2-CD1 4.24Å; I623-L720 HydrophobicContact CB-CD2 4.31Å; I623-L720 HydrophobicContact CG2-CD2 3.97Å; I623-L720 HydrophobicContact CG2-CG 3.98Å; I623-I723 HydrophobicContact CD1-CD1 3.43Å; I623-I723 VanDerWaalsContact CD1-CD1 3.43Å
624	I	90.6	Very high	92.6	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-76.5	-39.3	-179.7	-71.3	168.7	0	0	0	112.4	V196 R620 N621 S622 L720	V196-I624 WeakPolarHBondContact O-CD1 3.41Å; R620-I624 HydrophobicContact CG-CD1 4.17Å; R620-I624 WeakPolarHBondContact O-CG1 3.44Å; R620-I624 PolarHBondContact O-N 3.13Å; R620-I624 VanDerWaalsContact O-N 3.1Å; N621-I624 PolarHBondContact O-N 2.98Å; S622-I624 VanDerWaalsContact C-N 3.28Å; S622-I624 PolarHBondContact O-N 3.45Å; I624-L720 HydrophobicContact CD1-CD1 4.4Å; I624-L720 HydrophobicContact CD1-CD2 4.1Å; I624-L720 HydrophobicContact CG1-CD1 3.91Å; I624-L720 HydrophobicContact CG1-CD2 3.94Å
625	D	90.8	Very high	92.8	Very high	89 Å²	89	52.6 Å²	52.6	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-90.6	-24.2	-170.1	-65.7	-31.2	0	0	0	112.9	S199 R202 N621 S622	S199-D625 WeakPolarHBondContact CB-OD1 3.49Å; R202-D625 IonicContact CZ-OD1 3.65Å; R202-D625 IonicContact CZ-OD2 2.63Å; R202-D625 VanDerWaalsContact NH1-CG 3.3Å; R202-D625 IonicContact NH1-OD1 2.62Å; R202-D625 PolarHBondContact NH1-OD1 2.93Å; R202-D625 IonicContact NH1-OD2 3.39Å; R202-D625 PolarHBondContact NH1-OD2 2.87Å; R202-D625 IonicContact NH2-OD1 3.03Å; R202-D625 PolarHBondContact NH2-OD1 3.44Å; R202-D625 IonicContact NH2-OD2 2.76Å; R202-D625 PolarHBondContact NH2-OD2 3.5Å; N621-D625 VanDerWaalsContact O-CB 3.24Å; N621-D625 WeakPolarHBondContact O-CB 3.41Å; N621-D625 VanDerWaalsContact O-CG 3.23Å; N621-D625 PolarHBondContact O-N 3.31Å; S622-D625 PolarHBondContact O-N 2.98Å
626	E	89.9	Confident	92.8	Very high	107 Å²	107	49 Å²	49	50%	0.5	26%	0.258	S	S	.	.	S	Bend	trans	-87.2	146.9	178.3	-65.3	-177.1	-175.7	0	0	112.6	S622 D628 R716	S622-E626 VanDerWaalsContact O-CB 3.25Å; S622-E626 WeakPolarHBondContact O-CB 3.33Å; S622-E626 WeakPolarHBondContact O-CG 3.36Å; S622-E626 PolarHBondContact O-N 2.89Å; E626-D628 VanDerWaalsContact C-N 3.33Å; E626-D628 PolarHBondContact O-N 3.29Å; E626-R716 PolarHBondContact O-NE 2.92Å; E626-R716 PolarHBondContact O-NH2 3.13Å
627	E	85.8	Confident	92.9	Very high	172 Å²	172	48.9 Å²	48.9	80%	0.804	26%	0.258	S	S	*	.	S	Bend	trans	-74.8	-17.7	-178	-72.7	-175.5	-178.5	0	0	114.4	N712 R716	E627-N712 PolarHBondContact O-ND2 3.3Å; E627-R716 PolarHBondContact O-NH2 3.36Å
628	D	90.1	Very high	93.1	Very high	72 Å²	72	52.5 Å²	52.5	39%	0.385	27%	0.271	S	S	.	.			trans	-142.3	130.7	-175.8	178.1	16.2	0	0	0	110	E626 S630	E626-D628 VanDerWaalsContact C-N 3.33Å; E626-D628 PolarHBondContact O-N 3.29Å; D628-S630 WeakPolarHBondContact OD1-CB 3.27Å; D628-S630 PolarHBondContact OD1-N 3.29Å; D628-S630 PolarHBondContact OD1-OG 2.91Å
629	S	90.7	Very high	93.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.26	C	S	.	.			trans	-113.7	6.6	177.7	-56.6	0	0	0	0	112.7	Q631 V632 V633	S629-Q631 PolarHBondContact O-N 3.31Å; S629-Q631 VanDerWaalsContact O-N 3.15Å; S629-V632 WeakPolarHBondContact O-CB 3.18Å; S629-V632 PolarHBondContact O-N 2.94Å; S629-V633 PolarHBondContact O-N 3.43Å; S629-V633 VanDerWaalsContact O-N 3.14Å
630	S	92.6	Very high	93.4	Very high	16 Å²	16	46.6 Å²	46.6	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-57.8	-33.2	-177.3	-87.9	0	0	0	0	113.4	D628 V633 D634 K704 E715	D628-S630 WeakPolarHBondContact OD1-CB 3.27Å; D628-S630 PolarHBondContact OD1-N 3.29Å; D628-S630 PolarHBondContact OD1-OG 2.91Å; S630-V633 PolarHBondContact O-N 2.99Å; S630-D634 WeakPolarHBondContact O-CB 3.46Å; S630-D634 PolarHBondContact O-N 3.41Å; S630-K704 PolarHBondContact OG-NZ 3Å; S630-E715 VanDerWaalsContact CA-OE2 3.3Å; S630-E715 WeakPolarHBondContact CA-OE2 3.44Å; S630-E715 PolarHBondContact N-OE2 3.37Å; S630-E715 PolarHBondContact OG-OE1 2.99Å; S630-E715 PolarHBondContact OG-OE2 3.49Å; S630-E715 VanDerWaalsContact OG-OE2 3.08Å
631	Q	93.2	Very high	93.5	Very high	162 Å²	162	46.5 Å²	46.5	76%	0.757	24%	0.244	S	C	*	.	H	α-helix	trans	-69.4	-35.6	177.6	-66.3	-174.6	18.5	0	0	112.3	S629 A635	S629-Q631 PolarHBondContact O-N 3.31Å; S629-Q631 VanDerWaalsContact O-N 3.15Å; Q631-A635 WeakPolarHBondContact O-CB 3.47Å; Q631-A635 PolarHBondContact O-N 3.14Å
632	V	93.8	Very high	93.7	Very high	30 Å²	30	48.3 Å²	48.3	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-47.4	175.2	179.9	0	0	0	0	109	E619 S629 A635 M636 L719	E619-V632 WeakPolarHBondContact OE1-CG1 3.37Å; S629-V632 WeakPolarHBondContact O-CB 3.18Å; S629-V632 PolarHBondContact O-N 2.94Å; V632-A635 PolarHBondContact O-N 2.98Å; V632-M636 HydrophobicContact CG1-CE 3.9Å; V632-M636 HydrophobicContact CG1-SD 4.47Å; V632-M636 WeakPolarHBondContact O-CG 3.09Å; V632-M636 PolarHBondContact O-N 2.9Å; V632-L719 HydrophobicContact CG1-CD1 4.42Å; V632-L719 HydrophobicContact CG1-CD2 4.1Å
633	V	95.6	Very high	93.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-48.8	177.5	176.1	0	0	0	0	112	S629 S630 A635 M636 L637 Y700 E715 L719 I778	S629-V633 PolarHBondContact O-N 3.43Å; S629-V633 VanDerWaalsContact O-N 3.14Å; S630-V633 PolarHBondContact O-N 2.99Å; V633-A635 VanDerWaalsContact C-N 3.28Å; V633-A635 PolarHBondContact O-N 3.44Å; V633-M636 PolarHBondContact O-N 3.22Å; V633-M636 VanDerWaalsContact O-N 3.17Å; V633-L637 HydrophobicContact CG1-CD1 3.85Å; V633-L637 HydrophobicContact CG1-CG 4.26Å; V633-L637 WeakPolarHBondContact O-CG 3.47Å; V633-L637 PolarHBondContact O-N 3.33Å; V633-Y700 WeakPolarHBondContact CB-OH 3.4Å; V633-Y700 HydrophobicContact CG1-CE1 4.35Å; V633-Y700 HydrophobicContact CG1-CE2 3.83Å; V633-Y700 VanDerWaalsContact CG1-OH 3.28Å; V633-Y700 WeakPolarHBondContact CG1-OH 3.44Å; V633-E715 HydrophobicContact CG2-CB 4.23Å; V633-E715 HydrophobicContact CG2-CG 4.16Å; V633-L719 HydrophobicContact CG2-CD1 3.95Å; V633-L719 HydrophobicContact CG2-CD2 4.46Å; V633-L719 HydrophobicContact CG2-CG 4.3Å; V633-I778 HydrophobicContact CB-CD1 4.1Å; V633-I778 HydrophobicContact CG1-CD1 3.42Å; V633-I778 VanDerWaalsContact CG1-CD1 3.42Å; V633-I778 HydrophobicContact CG1-CG2 4.33Å; V633-I778 HydrophobicContact CG2-CD1 3.48Å; V633-I778 VanDerWaalsContact CG2-CD1 3.48Å
634	D	95.7	Very high	93.8	Very high	46 Å²	46	49 Å²	49	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-41.7	177.7	178	85.3	0	0	0	111.3	S630 L637 R638 W693	S630-D634 WeakPolarHBondContact O-CB 3.46Å; S630-D634 PolarHBondContact O-N 3.41Å; D634-L637 PolarHBondContact O-N 3.31Å; D634-R638 VanDerWaalsContact O-CG 3.29Å; D634-R638 WeakPolarHBondContact O-CG 3.23Å; D634-R638 PolarHBondContact O-N 3.48Å; D634-R638 IonicContact OD1-CZ 2.67Å; D634-R638 IonicContact OD1-NE 3.67Å; D634-R638 PolarHBondContact OD1-NE 2.68Å; D634-R638 IonicContact OD1-NH2 3.76Å; D634-R638 PolarHBondContact OD1-NH2 2.95Å; D634-R638 IonicContact OD2-CZ 2.7Å; D634-R638 IonicContact OD2-NE 3.29Å; D634-R638 PolarHBondContact OD2-NE 3.06Å; D634-R638 IonicContact OD2-NH2 3.63Å; D634-W693 VanDerWaalsContact OD1-CZ2 3.3Å; D634-W693 WeakPolarHBondContact OD1-CZ2 3.46Å
635	A	96.1	Very high	93.9	Very high	55 Å²	55	48.5 Å²	48.5	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-44.1	176	0	0	0	0	0	112.4	Q631 V632 V633 R638 S639	Q631-A635 WeakPolarHBondContact O-CB 3.47Å; Q631-A635 PolarHBondContact O-N 3.14Å; V632-A635 PolarHBondContact O-N 2.98Å; V633-A635 VanDerWaalsContact C-N 3.28Å; V633-A635 PolarHBondContact O-N 3.44Å; A635-R638 PolarHBondContact O-N 3.23Å; A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.11Å; A635-S639 PolarHBondContact O-OG 3.15Å
636	M	96.8	Very high	93.9	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-40.6	177.2	-68	-171.7	172.7	0	0	112.4	V632 V633 S639 T640 L719 I770 E771 T774	V632-M636 HydrophobicContact CG1-CE 3.9Å; V632-M636 HydrophobicContact CG1-SD 4.47Å; V632-M636 WeakPolarHBondContact O-CG 3.09Å; V632-M636 PolarHBondContact O-N 2.9Å; V633-M636 PolarHBondContact O-N 3.22Å; V633-M636 VanDerWaalsContact O-N 3.17Å; M636-S639 WeakPolarHBondContact CA-OG 3.13Å; M636-S639 PolarHBondContact O-OG 3.03Å; M636-T640 VanDerWaalsContact O-CB 3.24Å; M636-T640 WeakPolarHBondContact O-CB 3.21Å; M636-T640 PolarHBondContact O-N 2.91Å; M636-T640 PolarHBondContact O-OG1 3.41Å; M636-L719 HydrophobicContact CE-CD2 3.94Å; M636-L719 HydrophobicContact SD-CD2 3.74Å; M636-I770 HydrophobicContact CE-CG2 4.34Å; M636-E771 HydrophobicContact CB-CB 4.24Å; M636-E771 HydrophobicContact CB-CG 4.13Å; M636-E771 HydrophobicContact CG-CB 4.43Å; M636-E771 HydrophobicContact CG-CG 3.89Å; M636-E771 HydrophobicContact SD-CG 4.24Å; M636-T774 HydrophobicContact SD-CG2 3.94Å
637	L	97.4	Very high	93.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-47.7	175.8	-72.7	167.1	0	0	0	110.8	V633 D634 L641 F669 W693 I696 Y700 C775 L779	V633-L637 HydrophobicContact CG1-CD1 3.85Å; V633-L637 HydrophobicContact CG1-CG 4.26Å; V633-L637 WeakPolarHBondContact O-CG 3.47Å; V633-L637 PolarHBondContact O-N 3.33Å; D634-L637 PolarHBondContact O-N 3.31Å; L637-L641 WeakPolarHBondContact O-CB 3.24Å; L637-L641 PolarHBondContact O-N 2.65Å; L637-F669 HydrophobicContact CD2-CD1 3.97Å; L637-F669 HydrophobicContact CD2-CE1 3.88Å; L637-W693 HydrophobicContact CB-CH2 3.87Å; L637-W693 HydrophobicContact CB-CZ3 3.71Å; L637-I696 HydrophobicContact CD2-CG2 4.12Å; L637-Y700 HydrophobicContact CD1-CD1 4.11Å; L637-Y700 HydrophobicContact CD1-CD2 4.5Å; L637-Y700 HydrophobicContact CD1-CE1 4.33Å; L637-Y700 HydrophobicContact CD1-CG 4.18Å; L637-C775 HydrophobicContact CD2-CB 3.87Å; L637-L779 HydrophobicContact CD2-CD1 3.68Å; L637-L779 HydrophobicContact CD2-CG 4.29Å
638	R	97	Very high	93.8	Very high	84 Å²	84	44.7 Å²	44.7	32%	0.317	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-45.5	178.9	-69.3	178.2	-168.4	-75.3	-9.2	112.1	D634 A635 L641 Q642 F689 W693 E697	D634-R638 VanDerWaalsContact O-CG 3.29Å; D634-R638 WeakPolarHBondContact O-CG 3.23Å; D634-R638 PolarHBondContact O-N 3.48Å; D634-R638 IonicContact OD1-CZ 2.67Å; D634-R638 IonicContact OD1-NE 3.67Å; D634-R638 PolarHBondContact OD1-NE 2.68Å; D634-R638 IonicContact OD1-NH2 3.76Å; D634-R638 PolarHBondContact OD1-NH2 2.95Å; D634-R638 IonicContact OD2-CZ 2.7Å; D634-R638 IonicContact OD2-NE 3.29Å; D634-R638 PolarHBondContact OD2-NE 3.06Å; D634-R638 IonicContact OD2-NH2 3.63Å; A635-R638 PolarHBondContact O-N 3.23Å; R638-L641 PolarHBondContact O-N 3.01Å; R638-Q642 WeakPolarHBondContact O-CB 3.36Å; R638-Q642 PolarHBondContact O-N 3.5Å; R638-F689 HydrophobicContact CB-CZ 4.3Å; R638-F689 HydrophobicContact CG-CZ 4.26Å; R638-W693 HydrophobicContact CB-CZ3 4.28Å; R638-W693 HydrophobicContact CG-CD2 4.36Å; R638-W693 HydrophobicContact CG-CE3 3.95Å; R638-W693 HydrophobicContact CG-CH2 3.43Å; R638-W693 VanDerWaalsContact CG-CH2 3.43Å; R638-W693 HydrophobicContact CG-CZ2 3.91Å; R638-W693 HydrophobicContact CG-CZ3 3.45Å; R638-W693 VanDerWaalsContact CG-CZ3 3.45Å; R638-E697 IonicContact NH2-OE1 3.95Å
639	S	96.8	Very high	93.6	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-42.8	-178.4	65	0	0	0	0	111.3	A635 M636 Q642 R643 E771	A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.11Å; A635-S639 PolarHBondContact O-OG 3.15Å; M636-S639 WeakPolarHBondContact CA-OG 3.13Å; M636-S639 PolarHBondContact O-OG 3.03Å; S639-Q642 PolarHBondContact O-N 3.03Å; S639-R643 VanDerWaalsContact O-CB 3.27Å; S639-R643 WeakPolarHBondContact O-CB 3.48Å; S639-R643 PolarHBondContact O-N 3.3Å; S639-E771 PolarHBondContact OG-OE1 3.48Å; S639-E771 PolarHBondContact OG-OE2 3.07Å; S639-E771 VanDerWaalsContact OG-OE2 3.08Å
640	T	96.8	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-46	178.2	-56.2	0	0	0	0	111.3	M636 Q642 R643 S644 Y664 F669 E771 E772	M636-T640 VanDerWaalsContact O-CB 3.24Å; M636-T640 WeakPolarHBondContact O-CB 3.21Å; M636-T640 PolarHBondContact O-N 2.91Å; M636-T640 PolarHBondContact O-OG1 3.41Å; T640-Q642 PolarHBondContact O-N 2.96Å; T640-R643 PolarHBondContact O-N 3.03Å; T640-R643 PolarHBondContact OG1-NH2 2.89Å; T640-S644 WeakPolarHBondContact O-CB 3.31Å; T640-S644 PolarHBondContact O-N 3.47Å; T640-S644 PolarHBondContact O-OG 2.95Å; T640-Y664 WeakPolarHBondContact CG2-OH 3.49Å; T640-F669 HydrophobicContact CG2-CE2 4.2Å; T640-F669 HydrophobicContact CG2-CZ 3.59Å; T640-E771 VanDerWaalsContact OG1-CB 3.32Å; T640-E771 WeakPolarHBondContact OG1-CB 3.32Å; T640-E771 PolarHBondContact OG1-OE2 2.87Å; T640-E772 HydrophobicContact CG2-CG 3.79Å
641	L	96.9	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-50.9	175.2	177	62.3	0	0	0	111.1	L637 R638 R643 S644 I645 F661 I665 F669 F689 V692 W693 I696	L637-L641 WeakPolarHBondContact O-CB 3.24Å; L637-L641 PolarHBondContact O-N 2.65Å; R638-L641 PolarHBondContact O-N 3.01Å; L641-R643 VanDerWaalsContact C-N 3.3Å; L641-R643 PolarHBondContact O-N 2.93Å; L641-S644 PolarHBondContact O-N 2.95Å; L641-S644 PolarHBondContact O-OG 3.4Å; L641-I645 HydrophobicContact CD1-CD1 3.94Å; L641-I645 HydrophobicContact CD1-CG1 4.18Å; L641-I645 HydrophobicContact CG-CD1 3.91Å; L641-I645 WeakPolarHBondContact O-CG1 3.21Å; L641-I645 PolarHBondContact O-N 3.46Å; L641-F661 HydrophobicContact CD1-CZ 4.29Å; L641-I665 HydrophobicContact CD1-CD1 3.73Å; L641-F669 HydrophobicContact CB-CZ 4.32Å; L641-F689 HydrophobicContact CB-CE2 4.21Å; L641-F689 HydrophobicContact CD2-CD2 3.69Å; L641-F689 HydrophobicContact CD2-CE2 3.71Å; L641-F689 HydrophobicContact CD2-CG 4.25Å; L641-F689 HydrophobicContact CD2-CZ 4.27Å; L641-F689 HydrophobicContact CG-CD2 3.88Å; L641-F689 HydrophobicContact CG-CE2 3.99Å; L641-V692 HydrophobicContact CD1-CB 4.07Å; L641-V692 HydrophobicContact CD1-CG1 3.57Å; L641-V692 HydrophobicContact CD2-CB 4.27Å; L641-V692 HydrophobicContact CD2-CG1 4.25Å; L641-W693 HydrophobicContact CD2-CB 4.02Å; L641-W693 HydrophobicContact CD2-CE3 4.07Å; L641-I696 HydrophobicContact CD1-CD1 4.21Å; L641-I696 HydrophobicContact CD2-CD1 4.08Å
642	Q	95.7	Very high	90.7	Very high	72 Å²	72	45 Å²	45	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-41.6	-179.3	-175.5	64.1	70.5	0	0	112	R638 S639 T640 N646 F689	R638-Q642 WeakPolarHBondContact O-CB 3.36Å; R638-Q642 PolarHBondContact O-N 3.5Å; S639-Q642 PolarHBondContact O-N 3.03Å; T640-Q642 PolarHBondContact O-N 2.96Å; Q642-N646 PolarHBondContact NE2-OD1 2.97Å; Q642-N646 VanDerWaalsContact NE2-OD1 3.17Å; Q642-N646 WeakPolarHBondContact O-CB 3.27Å; Q642-N646 PolarHBondContact O-N 2.63Å; Q642-N646 PolarHBondContact O-ND2 2.76Å; Q642-F689 HydrophobicContact CB-CD2 4.31Å; Q642-F689 HydrophobicContact CB-CE2 4.11Å
643	R	94.4	Very high	89.5	Confident	59 Å²	59	47.7 Å²	47.7	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-43.8	177.1	-178.9	171.7	58.9	-107	4.6	111.4	S639 T640 L641 N646 Y647 E771	S639-R643 VanDerWaalsContact O-CB 3.27Å; S639-R643 WeakPolarHBondContact O-CB 3.48Å; S639-R643 PolarHBondContact O-N 3.3Å; T640-R643 PolarHBondContact O-N 3.03Å; T640-R643 PolarHBondContact OG1-NH2 2.89Å; L641-R643 VanDerWaalsContact C-N 3.3Å; L641-R643 PolarHBondContact O-N 2.93Å; R643-N646 PolarHBondContact O-N 2.62Å; R643-Y647 WeakPolarHBondContact O-CB 3.34Å; R643-Y647 PolarHBondContact O-N 3.11Å; R643-E771 IonicContact CZ-OE2 3.36Å; R643-E771 IonicContact NH1-OE2 3.24Å; R643-E771 PolarHBondContact NH1-OE2 3.24Å; R643-E771 IonicContact NH2-OE2 3.67Å; R643-E771 PolarHBondContact NH2-OE2 3.12Å
644	S	93.2	Very high	88.2	Confident	3 Å²	3	56 Å²	56	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-41.3	178.1	72.9	0	0	0	0	112.6	T640 L641 Y647 Y648	T640-S644 WeakPolarHBondContact O-CB 3.31Å; T640-S644 PolarHBondContact O-N 3.47Å; T640-S644 PolarHBondContact O-OG 2.95Å; L641-S644 PolarHBondContact O-N 2.95Å; L641-S644 PolarHBondContact O-OG 3.4Å; S644-Y647 PolarHBondContact O-N 2.95Å; S644-Y648 VanDerWaalsContact O-CD2 3.25Å; S644-Y648 WeakPolarHBondContact O-CD2 3.44Å; S644-Y648 PolarHBondContact O-N 3.3Å
645	I	92.5	Very high	87.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-49.7	174.8	-67.4	168.8	0	0	0	109.8	L641 Y647 I649 F661 A685 I688 F689	L641-I645 HydrophobicContact CD1-CD1 3.94Å; L641-I645 HydrophobicContact CD1-CG1 4.18Å; L641-I645 HydrophobicContact CG-CD1 3.91Å; L641-I645 WeakPolarHBondContact O-CG1 3.21Å; L641-I645 PolarHBondContact O-N 3.46Å; I645-Y647 PolarHBondContact O-N 2.97Å; I645-I649 HydrophobicContact CG2-CB 4.25Å; I645-I649 HydrophobicContact CG2-CG1 4.35Å; I645-I649 WeakPolarHBondContact O-CA 3.49Å; I645-I649 VanDerWaalsContact O-CB 3.26Å; I645-I649 WeakPolarHBondContact O-CB 3.31Å; I645-I649 PolarHBondContact O-N 3.21Å; I645-F661 HydrophobicContact CB-CE2 4.42Å; I645-F661 HydrophobicContact CD1-CZ 4.4Å; I645-F661 HydrophobicContact CG1-CE2 3.56Å; I645-F661 HydrophobicContact CG1-CZ 3.58Å; I645-A685 HydrophobicContact CG2-CB 3.95Å; I645-I688 HydrophobicContact CD1-CG2 3.98Å; I645-I688 HydrophobicContact CG1-CG2 4.11Å; I645-F689 VanDerWaalsContact CD1-CA 3.49Å; I645-F689 HydrophobicContact CD1-CB 3.69Å; I645-F689 HydrophobicContact CD1-CD2 3.99Å; I645-F689 HydrophobicContact CD1-CG 4.32Å
646	N	90.4	Very high	86.1	Confident	106 Å²	106	61.1 Å²	61.1	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-62.4	-27.4	180	-69.2	-16.8	0	0	0	113.2	Q642 R643	Q642-N646 PolarHBondContact NE2-OD1 2.97Å; Q642-N646 VanDerWaalsContact NE2-OD1 3.17Å; Q642-N646 WeakPolarHBondContact O-CB 3.27Å; Q642-N646 PolarHBondContact O-N 2.63Å; Q642-N646 PolarHBondContact O-ND2 2.76Å; R643-N646 PolarHBondContact O-N 2.62Å
647	Y	88.3	Confident	85.3	Confident	140 Å²	140	66.9 Å²	66.9	55%	0.549	34%	0.342	S	S	.	.	H	α-helix	trans	-82.8	-50.9	-180	-176.3	-96.4	0	0	0	112.6	T262 R643 S644 I645	T262-Y647 HydrophobicContact CG2-CE1 3.68Å; T262-Y647 WeakPolarHBondContact CG2-OH 3.32Å; R643-Y647 WeakPolarHBondContact O-CB 3.34Å; R643-Y647 PolarHBondContact O-N 3.11Å; S644-Y647 PolarHBondContact O-N 2.95Å; I645-Y647 PolarHBondContact O-N 2.97Å
648	Y	86.9	Confident	84.8	Confident	42 Å²	42	67.7 Å²	67.7	17%	0.165	35%	0.345	C	S	.	.	H	α-helix	trans	-88.6	-31	-173.6	-66.9	-72.4	0	0	0	113.5	S644 P660 F661 Y664	S644-Y648 VanDerWaalsContact O-CD2 3.25Å; S644-Y648 WeakPolarHBondContact O-CD2 3.44Å; S644-Y648 PolarHBondContact O-N 3.3Å; Y648-P660 HydrophobicContact CD1-CB 3.9Å; Y648-P660 HydrophobicContact CE1-CB 4.17Å; Y648-F661 HydrophobicContact CD2-CD2 4.16Å; Y648-F661 HydrophobicContact CG-CB 4.25Å; Y648-Y664 HydrophobicContact CD2-CG 4.44Å; Y648-Y664 HydrophobicContact CE2-CD1 4.05Å; Y648-Y664 AromaticContact CE2-CD2 3.81Å; Y648-Y664 HydrophobicContact CE2-CD2 3.81Å; Y648-Y664 HydrophobicContact CE2-CE2 4.41Å; Y648-Y664 AromaticContact CE2-CG 3.59Å; Y648-Y664 HydrophobicContact CE2-CG 3.59Å
649	I	83.9	Confident	84.4	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.051	35%	0.351	C	S	.	.			trans	-100.5	99.3	-175.5	-52.1	-58.3	0	0	0	109.8	I645 T651 Y658 F661 I688	I645-I649 HydrophobicContact CG2-CB 4.25Å; I645-I649 HydrophobicContact CG2-CG1 4.35Å; I645-I649 WeakPolarHBondContact O-CA 3.49Å; I645-I649 VanDerWaalsContact O-CB 3.26Å; I645-I649 WeakPolarHBondContact O-CB 3.31Å; I645-I649 PolarHBondContact O-N 3.21Å; I649-T651 HydrophobicContact CG2-CG2 4.17Å; I649-Y658 HydrophobicContact CD1-CD1 3.73Å; I649-Y658 HydrophobicContact CD1-CE1 4.17Å; I649-F661 HydrophobicContact CD1-CB 3.76Å; I649-F661 HydrophobicContact CD1-CD1 4.06Å; I649-F661 HydrophobicContact CD1-CG 3.86Å; I649-F661 HydrophobicContact CG1-CB 4.42Å; I649-F661 HydrophobicContact CG1-CD1 4.38Å; I649-F661 HydrophobicContact CG1-CD2 4.29Å; I649-F661 HydrophobicContact CG1-CG 4.11Å; I649-I688 HydrophobicContact CG1-CD1 4.41Å; I649-I688 HydrophobicContact CG2-CD1 3.8Å
650	N	78.7	Confident	83.9	Confident	75 Å²	75	68.6 Å²	68.6	40%	0.401	35%	0.353	S	S	.	.			trans	-95.6	100.1	168.2	-178.9	14.7	0	0	0	110.2	A652 D653	N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 VanDerWaalsContact O-N 3.07Å; N650-A652 VanDerWaalsContact OD1-CB 3.28Å; N650-A652 WeakPolarHBondContact OD1-CB 3.39Å; N650-A652 PolarHBondContact OD1-N 2.76Å; N650-A652 VanDerWaalsContact OD1-N 3.09Å; N650-D653 WeakPolarHBondContact CB-OD2 3.34Å; N650-D653 PolarHBondContact ND2-OD1 3.13Å; N650-D653 PolarHBondContact ND2-OD2 3.01Å; N650-D653 PolarHBondContact O-N 3.19Å; N650-D653 VanDerWaalsContact O-N 3.16Å
651	T	68.5	Low	83.6	Confident	90 Å²	90	68.6 Å²	68.6	55%	0.552	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.7	178.4	60.3	0	0	0	0	113.7	I649	I649-T651 HydrophobicContact CG2-CG2 4.17Å
652	A	68.6	Low	83.3	Confident	81 Å²	81	69 Å²	69	67%	0.669	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.4	175.4	0	0	0	0	0	113.6	N650	N650-A652 PolarHBondContact O-N 3.41Å; N650-A652 VanDerWaalsContact O-N 3.07Å; N650-A652 VanDerWaalsContact OD1-CB 3.28Å; N650-A652 WeakPolarHBondContact OD1-CB 3.39Å; N650-A652 PolarHBondContact OD1-N 2.76Å; N650-A652 VanDerWaalsContact OD1-N 3.09Å
653	D	69.7	Low	83	Confident	88 Å²	88	67.4 Å²	67.4	47%	0.471	35%	0.348	S	S	.	.	S	Bend	trans	-80.1	136.8	176.9	-68.9	-28.1	0	0	0	110.7	N650 E655 P656	N650-D653 WeakPolarHBondContact CB-OD2 3.34Å; N650-D653 PolarHBondContact ND2-OD1 3.13Å; N650-D653 PolarHBondContact ND2-OD2 3.01Å; N650-D653 PolarHBondContact O-N 3.19Å; N650-D653 VanDerWaalsContact O-N 3.16Å; D653-E655 PolarHBondContact O-N 2.81Å; D653-P656 WeakPolarHBondContact O-CD 3.37Å
654	D	67.8	Low	82.8	Confident	174 Å²	174	65.2 Å²	65.2	93%	0.93	34%	0.34	S	S	*	.	S	Bend	trans	-63.4	-27.2	-178.1	-73.7	-40.3	0	0	0	112.6
655	E	73.4	Confident	82.8	Confident	176 Å²	176	65 Å²	65	82%	0.822	34%	0.339	S	S	*	.	S	Bend	trans	-137.2	86.8	174.2	-70.6	-176.4	172.3	0	0	109.7	D653 E657	D653-E655 PolarHBondContact O-N 2.81Å; E655-E657 PolarHBondContact O-N 3.08Å
656	P	73.4	Confident	82.7	Confident	33 Å²	33	66.1 Å²	66.1	21%	0.214	35%	0.345	C	S	.	.			trans	-63.4	132.2	178.8	-20.8	32.5	0	0	0	111.8	D653 Y658	D653-P656 WeakPolarHBondContact O-CD 3.37Å; P656-Y658 HydrophobicContact CB-CE1 4.28Å; P656-Y658 HydrophobicContact CB-CE2 4.2Å; P656-Y658 WeakPolarHBondContact O-CD2 3.27Å; P656-Y658 PolarHBondContact O-N 3.44Å
657	E	81.5	Confident	82.6	Confident	134 Å²	134	61.7 Å²	61.7	63%	0.626	32%	0.321	S	S	*	.			trans	-81.5	102.7	172.6	-71.1	179.4	-162	0	0	110.2	E655	E655-E657 PolarHBondContact O-N 3.08Å
658	Y	87.1	Confident	82.7	Confident	18 Å²	18	55.2 Å²	55.2	7%	0.071	30%	0.296	C	S	.	.			trans	-81.4	-22.2	-179.3	-64	-72.8	0	0	0	114.1	I649 P656 F661 I662 E677 I680 K681 G682 I688	I649-Y658 HydrophobicContact CD1-CD1 3.73Å; I649-Y658 HydrophobicContact CD1-CE1 4.17Å; P656-Y658 HydrophobicContact CB-CE1 4.28Å; P656-Y658 HydrophobicContact CB-CE2 4.2Å; P656-Y658 WeakPolarHBondContact O-CD2 3.27Å; P656-Y658 PolarHBondContact O-N 3.44Å; Y658-F661 WeakPolarHBondContact O-CB 3.25Å; Y658-F661 PolarHBondContact O-N 3.44Å; Y658-I662 WeakPolarHBondContact O-CG1 3.46Å; Y658-I662 PolarHBondContact O-N 3.46Å; Y658-E677 HydrophobicContact CD2-CG 3.86Å; Y658-E677 HydrophobicContact CG-CG 4.24Å; Y658-I680 HydrophobicContact CD1-CD1 3.68Å; Y658-I680 HydrophobicContact CD1-CG1 3.89Å; Y658-I680 HydrophobicContact CE1-CG1 4.4Å; Y658-I680 HydrophobicContact CG-CD1 4.14Å; Y658-I680 HydrophobicContact CG-CG1 4.31Å; Y658-K681 HydrophobicContact CE2-CB 4.32Å; Y658-K681 HydrophobicContact CE2-CG 4.12Å; Y658-G682 PolarHBondContact OH-N 2.84Å; Y658-G682 VanDerWaalsContact OH-N 3.12Å; Y658-I688 HydrophobicContact CE1-CD1 4.45Å
659	Q	87.4	Confident	83	Confident	96 Å²	96	53.3 Å²	53.3	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-43.5	-172.7	-169.2	64.3	51.4	0	0	114	F661 I662 D663	Q659-F661 VanDerWaalsContact C-N 3.27Å; Q659-F661 PolarHBondContact O-N 3.49Å; Q659-I662 PolarHBondContact O-N 3.3Å; Q659-D663 PolarHBondContact NE2-OD1 3.27Å; Q659-D663 WeakPolarHBondContact O-CB 3.19Å; Q659-D663 VanDerWaalsContact O-CG 3.24Å; Q659-D663 PolarHBondContact O-N 3.11Å
660	P	86.9	Confident	83.4	Confident	44 Å²	44	53.1 Å²	53.1	29%	0.286	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-37.1	176.2	-24.7	35.8	0	0	0	112.9	Y648 D663 Y664	Y648-P660 HydrophobicContact CD1-CB 3.9Å; Y648-P660 HydrophobicContact CE1-CB 4.17Å; P660-D663 PolarHBondContact O-N 3.16Å; P660-Y664 WeakPolarHBondContact O-CB 3.46Å; P660-Y664 PolarHBondContact O-N 3.04Å
661	F	90.5	Very high	83.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-47.1	174.2	176.4	-109.7	0	0	0	111.3	L641 I645 Y648 I649 Y658 Q659 D663 Y664 I665 I680 I688 V692	L641-F661 HydrophobicContact CD1-CZ 4.29Å; I645-F661 HydrophobicContact CB-CE2 4.42Å; I645-F661 HydrophobicContact CD1-CZ 4.4Å; I645-F661 HydrophobicContact CG1-CE2 3.56Å; I645-F661 HydrophobicContact CG1-CZ 3.58Å; Y648-F661 HydrophobicContact CD2-CD2 4.16Å; Y648-F661 HydrophobicContact CG-CB 4.25Å; I649-F661 HydrophobicContact CD1-CB 3.76Å; I649-F661 HydrophobicContact CD1-CD1 4.06Å; I649-F661 HydrophobicContact CD1-CG 3.86Å; I649-F661 HydrophobicContact CG1-CB 4.42Å; I649-F661 HydrophobicContact CG1-CD1 4.38Å; I649-F661 HydrophobicContact CG1-CD2 4.29Å; I649-F661 HydrophobicContact CG1-CG 4.11Å; Y658-F661 WeakPolarHBondContact O-CB 3.25Å; Y658-F661 PolarHBondContact O-N 3.44Å; Q659-F661 VanDerWaalsContact C-N 3.27Å; Q659-F661 PolarHBondContact O-N 3.49Å; F661-D663 VanDerWaalsContact C-N 3.31Å; F661-D663 PolarHBondContact O-N 2.94Å; F661-Y664 PolarHBondContact O-N 2.85Å; F661-I665 HydrophobicContact CD1-CG1 4.28Å; F661-I665 HydrophobicContact CD2-CG1 4.24Å; F661-I665 HydrophobicContact CE1-CG1 3.88Å; F661-I665 HydrophobicContact CE2-CD1 3.83Å; F661-I665 HydrophobicContact CE2-CG1 3.83Å; F661-I665 HydrophobicContact CG-CG1 4.45Å; F661-I665 HydrophobicContact CZ-CD1 3.78Å; F661-I665 HydrophobicContact CZ-CG1 3.63Å; F661-I665 WeakPolarHBondContact O-CG1 3.21Å; F661-I665 PolarHBondContact O-N 3.38Å; F661-I680 HydrophobicContact CD1-CD1 3.74Å; F661-I680 HydrophobicContact CE1-CD1 4.07Å; F661-I688 HydrophobicContact CE1-CG2 4.02Å; F661-I688 HydrophobicContact CZ-CG2 4.16Å; F661-V692 HydrophobicContact CE1-CG2 4.08Å; F661-V692 HydrophobicContact CZ-CG2 4.2Å
662	I	90.9	Very high	84.5	Confident	8 Å²	8	58 Å²	58	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177.6	-65.3	169.1	0	0	0	110.7	Y658 Q659 Y664 I665 N666 I675 E677 I680	Y658-I662 WeakPolarHBondContact O-CG1 3.46Å; Y658-I662 PolarHBondContact O-N 3.46Å; Q659-I662 PolarHBondContact O-N 3.3Å; I662-Y664 VanDerWaalsContact C-N 3.33Å; I662-Y664 PolarHBondContact O-N 3.38Å; I662-I665 PolarHBondContact O-N 3.33Å; I662-N666 WeakPolarHBondContact O-CB 3.35Å; I662-N666 PolarHBondContact O-N 3.04Å; I662-N666 PolarHBondContact O-ND2 3.34Å; I662-N666 PolarHBondContact O-OD1 2.91Å; I662-I675 HydrophobicContact CG1-CG2 4.23Å; I662-E677 HydrophobicContact CD1-CB 4.13Å; I662-I680 HydrophobicContact CD1-CD1 4.29Å; I662-I680 HydrophobicContact CG1-CD1 4.05Å
663	D	87.9	Confident	85.3	Confident	39 Å²	39	56.6 Å²	56.6	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-41.5	178.1	-70.7	-13.4	0	0	0	111.8	K257 Q659 P660 F661 N666 D667	K257-D663 HydrophobicContact CD-CB 4.37Å; K257-D663 VanDerWaalsContact CD-OD2 3.24Å; K257-D663 WeakPolarHBondContact CD-OD2 3.34Å; K257-D663 IonicContact NZ-OD1 2.98Å; K257-D663 PolarHBondContact NZ-OD1 2.93Å; K257-D663 IonicContact NZ-OD2 2.77Å; K257-D663 PolarHBondContact NZ-OD2 2.81Å; Q659-D663 PolarHBondContact NE2-OD1 3.27Å; Q659-D663 WeakPolarHBondContact O-CB 3.19Å; Q659-D663 VanDerWaalsContact O-CG 3.24Å; Q659-D663 PolarHBondContact O-N 3.11Å; P660-D663 PolarHBondContact O-N 3.16Å; F661-D663 VanDerWaalsContact C-N 3.31Å; F661-D663 PolarHBondContact O-N 2.94Å; D663-N666 PolarHBondContact O-N 2.85Å; D663-D667 PolarHBondContact O-N 3.21Å
664	Y	90.7	Very high	86.2	Confident	12 Å²	12	55.7 Å²	55.7	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-45.5	173.9	177.6	-90.3	0	0	0	112.2	T640 Y648 P660 F661 I662 N666 D667 I668 F669 E772	T640-Y664 WeakPolarHBondContact CG2-OH 3.49Å; Y648-Y664 HydrophobicContact CD2-CG 4.44Å; Y648-Y664 HydrophobicContact CE2-CD1 4.05Å; Y648-Y664 AromaticContact CE2-CD2 3.81Å; Y648-Y664 HydrophobicContact CE2-CD2 3.81Å; Y648-Y664 HydrophobicContact CE2-CE2 4.41Å; Y648-Y664 AromaticContact CE2-CG 3.59Å; Y648-Y664 HydrophobicContact CE2-CG 3.59Å; P660-Y664 WeakPolarHBondContact O-CB 3.46Å; P660-Y664 PolarHBondContact O-N 3.04Å; F661-Y664 PolarHBondContact O-N 2.85Å; I662-Y664 VanDerWaalsContact C-N 3.33Å; I662-Y664 PolarHBondContact O-N 3.38Å; Y664-N666 VanDerWaalsContact C-N 3.28Å; Y664-N666 PolarHBondContact O-N 3.39Å; Y664-D667 PolarHBondContact O-N 3.01Å; Y664-I668 HydrophobicContact CD1-CG1 4.45Å; Y664-I668 HydrophobicContact CD2-CG1 4.14Å; Y664-I668 HydrophobicContact CE1-CB 4.45Å; Y664-I668 HydrophobicContact CE1-CG1 4.1Å; Y664-I668 HydrophobicContact CE2-CG1 3.78Å; Y664-I668 HydrophobicContact CG-CG1 4.47Å; Y664-I668 PolarHBondContact O-N 3.37Å; Y664-F669 HydrophobicContact CE1-CE2 4.06Å; Y664-E772 VanDerWaalsContact OH-CD 3.24Å; Y664-E772 PolarHBondContact OH-OE1 2.93Å
665	I	93.5	Very high	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-41.3	176.7	-67.4	-58.4	0	0	0	111	L641 F661 I662 D667 F669 L670 I675 V692	L641-I665 HydrophobicContact CD1-CD1 3.73Å; F661-I665 HydrophobicContact CD1-CG1 4.28Å; F661-I665 HydrophobicContact CD2-CG1 4.24Å; F661-I665 HydrophobicContact CE1-CG1 3.88Å; F661-I665 HydrophobicContact CE2-CD1 3.83Å; F661-I665 HydrophobicContact CE2-CG1 3.83Å; F661-I665 HydrophobicContact CG-CG1 4.45Å; F661-I665 HydrophobicContact CZ-CD1 3.78Å; F661-I665 HydrophobicContact CZ-CG1 3.63Å; F661-I665 WeakPolarHBondContact O-CG1 3.21Å; F661-I665 PolarHBondContact O-N 3.38Å; I662-I665 PolarHBondContact O-N 3.33Å; I665-D667 VanDerWaalsContact C-N 3.29Å; I665-D667 PolarHBondContact O-N 3.23Å; I665-F669 HydrophobicContact CD1-CD2 3.68Å; I665-F669 HydrophobicContact CD1-CE2 3.94Å; I665-F669 PolarHBondContact O-N 3.48Å; I665-L670 HydrophobicContact CG2-CB 4.3Å; I665-L670 HydrophobicContact CG2-CD1 3.91Å; I665-L670 HydrophobicContact CG2-CG 4.23Å; I665-L670 PolarHBondContact O-N 3.21Å; I665-I675 HydrophobicContact CG2-CG1 4.19Å; I665-V692 HydrophobicContact CD1-CG1 4.04Å; I665-V692 HydrophobicContact CG1-CG1 4.42Å; I665-V692 HydrophobicContact CG2-CG1 4.28Å
666	N	90.8	Very high	88	Confident	23 Å²	23	42 Å²	42	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-69.3	-23.6	176.1	-67.9	-12.6	0	0	0	112.6	I662 D663 Y664 L670 Q671 K780	I662-N666 WeakPolarHBondContact O-CB 3.35Å; I662-N666 PolarHBondContact O-N 3.04Å; I662-N666 PolarHBondContact O-ND2 3.34Å; I662-N666 PolarHBondContact O-OD1 2.91Å; D663-N666 PolarHBondContact O-N 2.85Å; Y664-N666 VanDerWaalsContact C-N 3.28Å; Y664-N666 PolarHBondContact O-N 3.39Å; N666-L670 CarbonylContact C-O 3.48Å; N666-L670 WeakPolarHBondContact CA-O 3.27Å; N666-Q671 PolarHBondContact OD1-O 3.46Å; N666-K780 WeakPolarHBondContact O-CE 3.49Å; N666-K780 PolarHBondContact O-NZ 3.3Å
667	D	87.2	Confident	88.7	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-84.5	-38.4	175.8	-174.6	47.4	0	0	0	112.3	H266 D663 Y664 I665 K776 K780	H266-D667 IonicContact CE1-OD2 3.19Å; H266-D667 IonicContact CG-OD2 2.88Å; H266-D667 IonicContact ND1-OD2 3.78Å; H266-D667 PolarHBondContact ND1-OD2 3.14Å; D663-D667 PolarHBondContact O-N 3.21Å; Y664-D667 PolarHBondContact O-N 3.01Å; I665-D667 VanDerWaalsContact C-N 3.29Å; I665-D667 PolarHBondContact O-N 3.23Å; D667-K776 VanDerWaalsContact O-CE 3.31Å; D667-K776 WeakPolarHBondContact O-CE 3.5Å; D667-K776 IonicContact OD1-NZ 3.56Å; D667-K776 PolarHBondContact OD1-NZ 3.17Å; D667-K776 IonicContact OD2-NZ 2.79Å; D667-K776 PolarHBondContact OD2-NZ 3.24Å; D667-K780 WeakPolarHBondContact O-CE 3.49Å; D667-K780 PolarHBondContact O-NZ 3.22Å
668	I	91.2	Very high	89	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-96.9	-38.3	-171.3	-57.4	-55.6	0	0	0	113.1	Y664 E772 C775 K776	Y664-I668 HydrophobicContact CD1-CG1 4.45Å; Y664-I668 HydrophobicContact CD2-CG1 4.14Å; Y664-I668 HydrophobicContact CE1-CB 4.45Å; Y664-I668 HydrophobicContact CE1-CG1 4.1Å; Y664-I668 HydrophobicContact CE2-CG1 3.78Å; Y664-I668 HydrophobicContact CG-CG1 4.47Å; Y664-I668 PolarHBondContact O-N 3.37Å; I668-E772 HydrophobicContact CD1-CB 4.49Å; I668-C775 HydrophobicContact CG2-CB 3.84Å; I668-K776 HydrophobicContact CD1-CD 4.27Å; I668-K776 WeakPolarHBondContact O-CA 3.24Å; I668-K776 PolarHBondContact O-N 3.09Å
669	F	93.4	Very high	89	Confident	3 Å²	3	45.7 Å²	45.7	1%	0.013	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-50.1	-167.5	-61	-83.3	0	0	0	114.5	L637 T640 L641 Y664 I665 I696 C775 L779	L637-F669 HydrophobicContact CD2-CD1 3.97Å; L637-F669 HydrophobicContact CD2-CE1 3.88Å; T640-F669 HydrophobicContact CG2-CE2 4.2Å; T640-F669 HydrophobicContact CG2-CZ 3.59Å; L641-F669 HydrophobicContact CB-CZ 4.32Å; Y664-F669 HydrophobicContact CE1-CE2 4.06Å; I665-F669 HydrophobicContact CD1-CD2 3.68Å; I665-F669 HydrophobicContact CD1-CE2 3.94Å; I665-F669 PolarHBondContact O-N 3.48Å; F669-I696 HydrophobicContact CB-CD1 3.89Å; F669-I696 HydrophobicContact CB-CG1 3.92Å; F669-I696 HydrophobicContact CD1-CD1 3.58Å; F669-I696 HydrophobicContact CD1-CG1 4.17Å; F669-I696 HydrophobicContact CD1-CG2 4.23Å; F669-I696 HydrophobicContact CD2-CD1 4.15Å; F669-I696 HydrophobicContact CE1-CD1 4.07Å; F669-I696 HydrophobicContact CG-CD1 3.62Å; F669-I696 HydrophobicContact CG-CG1 4.18Å; F669-C775 HydrophobicContact CD1-CB 4.15Å; F669-C775 HydrophobicContact CE1-CB 3.78Å; F669-C775 HydrophobicContact CZ-CB 4.45Å; F669-L779 HydrophobicContact CB-CD1 3.96Å; F669-L779 HydrophobicContact CD1-CD1 3.68Å; F669-L779 HydrophobicContact CG-CD1 4.29Å; F669-L779 WeakPolarHBondContact O-CB 3.41Å; F669-L779 WeakPolarHBondContact O-CD1 3.35Å
670	L	92.1	Very high	89.1	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-122.6	170.9	-164.1	-62.4	176.3	0	0	0	111.8	I665 N666 D674 I675 K695 I696 A699 K780	I665-L670 HydrophobicContact CG2-CB 4.3Å; I665-L670 HydrophobicContact CG2-CD1 3.91Å; I665-L670 HydrophobicContact CG2-CG 4.23Å; I665-L670 PolarHBondContact O-N 3.21Å; N666-L670 CarbonylContact C-O 3.48Å; N666-L670 WeakPolarHBondContact CA-O 3.27Å; L670-D674 HydrophobicContact CB-CB 3.84Å; L670-D674 HydrophobicContact CD1-CB 4.14Å; L670-D674 HydrophobicContact CG-CB 4.47Å; L670-I675 HydrophobicContact CD1-CD1 4.41Å; L670-I675 HydrophobicContact CD1-CG1 3.65Å; L670-K695 HydrophobicContact CD1-CB 3.82Å; L670-K695 HydrophobicContact CD2-CB 4.46Å; L670-I696 HydrophobicContact CD1-CG1 4.31Å; L670-I696 HydrophobicContact CD2-CG1 4.26Å; L670-I696 HydrophobicContact CG-CG1 4.24Å; L670-A699 HydrophobicContact CD2-CB 3.98Å; L670-K780 WeakPolarHBondContact O-CE 3.49Å
671	Q	87.1	Confident	89.1	Confident	146 Å²	146	44.6 Å²	44.6	68%	0.682	24%	0.235	S	C	*	.			trans	-83.4	159.6	173.7	-63.1	-174.4	-9.3	0	0	110.9	N666 G673 D674	N666-Q671 PolarHBondContact OD1-O 3.46Å; Q671-G673 PolarHBondContact O-N 3.31Å; Q671-D674 PolarHBondContact N-OD2 3.39Å; Q671-D674 WeakPolarHBondContact O-CB 3.23Å; Q671-D674 PolarHBondContact O-N 3.03Å; Q671-D674 VanDerWaalsContact O-N 3.13Å
672	E	83.6	Confident	88.9	Confident	122 Å²	122	48 Å²	48	57%	0.57	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	126.7	178	-168.2	169.4	174.1	0	0	110.7
673	G	84.8	Confident	88.7	Confident	52 Å²	52	51.1 Å²	51.1	54%	0.536	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-9.7	-177.9	0	0	0	0	0	115.1	Q671 I675	Q671-G673 PolarHBondContact O-N 3.31Å; G673-I675 VanDerWaalsContact C-N 3.28Å; G673-I675 PolarHBondContact O-N 3.2Å
674	D	88	Confident	88.8	Confident	68 Å²	68	53 Å²	53	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-66.2	-31.6	174.3	-78	-25.2	0	0	0	111.9	L670 Q671 K695	L670-D674 HydrophobicContact CB-CB 3.84Å; L670-D674 HydrophobicContact CD1-CB 4.14Å; L670-D674 HydrophobicContact CG-CB 4.47Å; Q671-D674 PolarHBondContact N-OD2 3.39Å; Q671-D674 WeakPolarHBondContact O-CB 3.23Å; Q671-D674 PolarHBondContact O-N 3.03Å; Q671-D674 VanDerWaalsContact O-N 3.13Å; D674-K695 WeakPolarHBondContact O-CD 3.39Å; D674-K695 WeakPolarHBondContact O-CE 3.45Å; D674-K695 PolarHBondContact O-NZ 3.23Å
675	I	90.7	Very high	88.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	30%	0.302	C	S	.	.	S	Bend	trans	-122.1	132.4	172.8	-67.7	-74.2	0	0	0	109.2	I662 I665 L670 G673 V692 K695	I662-I675 HydrophobicContact CG1-CG2 4.23Å; I665-I675 HydrophobicContact CG2-CG1 4.19Å; L670-I675 HydrophobicContact CD1-CD1 4.41Å; L670-I675 HydrophobicContact CD1-CG1 3.65Å; G673-I675 VanDerWaalsContact C-N 3.28Å; G673-I675 PolarHBondContact O-N 3.2Å; I675-V692 HydrophobicContact CD1-CB 4.49Å; I675-V692 HydrophobicContact CD1-CG2 4.03Å; I675-K695 HydrophobicContact CD1-CD 3.46Å; I675-K695 VanDerWaalsContact CD1-CD 3.46Å; I675-K695 VanDerWaalsContact CD1-CE 3.48Å; I675-K695 HydrophobicContact CD1-CG 4.18Å; I675-K695 HydrophobicContact CG1-CD 4.16Å
676	T	89.5	Confident	88.5	Confident	60 Å²	60	61.1 Å²	61.1	37%	0.368	34%	0.337	S	S	.	.			trans	-117.8	159.6	176.8	64.2	0	0	0	0	110.9	D678 D679	T676-D678 PolarHBondContact O-N 2.61Å; T676-D679 PolarHBondContact N-OD2 3.19Å; T676-D679 WeakPolarHBondContact O-CB 3.49Å; T676-D679 PolarHBondContact O-N 3.25Å; T676-D679 PolarHBondContact OG1-OD2 3.31Å
677	E	87.5	Confident	88.6	Confident	78 Å²	78	63.5 Å²	63.5	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-55.8	-39.3	176.3	-170.9	-173.6	147.7	0	0	111.5	Y658 I662 D679 I680 K681	Y658-E677 HydrophobicContact CD2-CG 3.86Å; Y658-E677 HydrophobicContact CG-CG 4.24Å; I662-E677 HydrophobicContact CD1-CB 4.13Å; E677-D679 PolarHBondContact O-N 3.35Å; E677-I680 WeakPolarHBondContact O-CG1 3.47Å; E677-I680 PolarHBondContact O-N 2.94Å; E677-K681 VanDerWaalsContact O-CB 3.24Å; E677-K681 WeakPolarHBondContact O-CB 3.33Å; E677-K681 PolarHBondContact O-N 2.99Å; E677-K681 IonicContact OE1-NZ 3.49Å; E677-K681 PolarHBondContact OE1-NZ 3.46Å
678	D	87.6	Confident	88.8	Confident	138 Å²	138	62.9 Å²	62.9	74%	0.738	35%	0.346	S	S	*	.	H	α-helix	trans	-61.7	-24.7	179.1	-72.8	-23.6	0	0	0	113.4	T676 I680	T676-D678 PolarHBondContact O-N 2.61Å; D678-I680 VanDerWaalsContact C-N 3.33Å
679	D	88.3	Confident	89	Confident	46 Å²	46	64.3 Å²	64.3	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-70.6	-29.9	179.2	-69	-51.6	0	0	0	112.6	T676 E677 K683 V691 K695	T676-D679 PolarHBondContact N-OD2 3.19Å; T676-D679 WeakPolarHBondContact O-CB 3.49Å; T676-D679 PolarHBondContact O-N 3.25Å; T676-D679 PolarHBondContact OG1-OD2 3.31Å; E677-D679 PolarHBondContact O-N 3.35Å; D679-K683 WeakPolarHBondContact O-CD 3.42Å; D679-K683 VanDerWaalsContact O-CE 3.24Å; D679-K683 WeakPolarHBondContact O-CE 3.24Å; D679-K683 PolarHBondContact O-NZ 2.82Å; D679-V691 HydrophobicContact CB-CG1 4.24Å; D679-K695 IonicContact OD1-NZ 3.57Å; D679-K695 IonicContact OD2-NZ 2.64Å; D679-K695 PolarHBondContact OD2-NZ 2.94Å
680	I	89.7	Confident	89.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-119.5	-14.8	-168.7	59.4	176.2	0	0	0	113.7	Y658 F661 I662 E677 D678 G682 K683 I688 V692	Y658-I680 HydrophobicContact CD1-CD1 3.68Å; Y658-I680 HydrophobicContact CD1-CG1 3.89Å; Y658-I680 HydrophobicContact CE1-CG1 4.4Å; Y658-I680 HydrophobicContact CG-CD1 4.14Å; Y658-I680 HydrophobicContact CG-CG1 4.31Å; F661-I680 HydrophobicContact CD1-CD1 3.74Å; F661-I680 HydrophobicContact CE1-CD1 4.07Å; I662-I680 HydrophobicContact CD1-CD1 4.29Å; I662-I680 HydrophobicContact CG1-CD1 4.05Å; E677-I680 WeakPolarHBondContact O-CG1 3.47Å; E677-I680 PolarHBondContact O-N 2.94Å; D678-I680 VanDerWaalsContact C-N 3.33Å; I680-G682 PolarHBondContact O-N 2.91Å; I680-K683 WeakPolarHBondContact O-CB 3.22Å; I680-K683 PolarHBondContact O-N 3.49Å; I680-I688 HydrophobicContact CB-CG1 4.1Å; I680-I688 HydrophobicContact CB-CG2 4.48Å; I680-I688 HydrophobicContact CG2-CG1 4.39Å; I680-I688 HydrophobicContact CG2-CG2 4.09Å; I680-V692 HydrophobicContact CG2-CG2 4.2Å
681	K	87	Confident	89.3	Confident	118 Å²	118	72 Å²	72	51%	0.513	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	128	-177.6	-172.4	172.9	-162.9	136.2	0	112.5	Y658 E677 K683	Y658-K681 HydrophobicContact CE2-CB 4.32Å; Y658-K681 HydrophobicContact CE2-CG 4.12Å; E677-K681 VanDerWaalsContact O-CB 3.24Å; E677-K681 WeakPolarHBondContact O-CB 3.33Å; E677-K681 PolarHBondContact O-N 2.99Å; E677-K681 IonicContact OE1-NZ 3.49Å; E677-K681 PolarHBondContact OE1-NZ 3.46Å; K681-K683 PolarHBondContact O-N 2.9Å
682	G	84.7	Confident	89.7	Confident	72 Å²	72	65 Å²	65	74%	0.742	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	5.3	176.7	0	0	0	0	0	115.3	Y658 I680	Y658-G682 PolarHBondContact OH-N 2.84Å; Y658-G682 VanDerWaalsContact OH-N 3.12Å; I680-G682 PolarHBondContact O-N 2.91Å
683	K	88	Confident	90.3	Very high	73 Å²	73	60.1 Å²	60.1	32%	0.317	33%	0.334	S	S	.	.			trans	-85	152.7	172.1	-68.3	-175.5	179.8	176.9	0	110.5	D679 I680 K681 D687 I688 V691	D679-K683 WeakPolarHBondContact O-CD 3.42Å; D679-K683 VanDerWaalsContact O-CE 3.24Å; D679-K683 WeakPolarHBondContact O-CE 3.24Å; D679-K683 PolarHBondContact O-NZ 2.82Å; I680-K683 WeakPolarHBondContact O-CB 3.22Å; I680-K683 PolarHBondContact O-N 3.49Å; K681-K683 PolarHBondContact O-N 2.9Å; K683-D687 HydrophobicContact CB-CB 3.74Å; K683-D687 HydrophobicContact CD-CB 4.12Å; K683-D687 HydrophobicContact CG-CB 4.15Å; K683-I688 HydrophobicContact CB-CD1 4.44Å; K683-I688 HydrophobicContact CB-CG1 3.72Å; K683-V691 HydrophobicContact CD-CG2 4.03Å
684	D	88.3	Confident	90.9	Very high	78 Å²	78	60.2 Å²	60.2	42%	0.417	33%	0.33	S	S	.	.			trans	-79.5	174.1	170.1	68.3	30.9	0	0	0	111.3	E686 D687 I688	D684-E686 VanDerWaalsContact C-N 3.26Å; D684-E686 PolarHBondContact O-N 2.69Å; D684-E686 PolarHBondContact OD1-N 2.81Å; D684-E686 VanDerWaalsContact OD1-N 3.08Å; D684-D687 PolarHBondContact O-N 2.83Å; D684-D687 WeakPolarHBondContact OD1-CB 3.32Å; D684-D687 PolarHBondContact OD1-N 2.96Å; D684-I688 WeakPolarHBondContact O-CB 3.48Å; D684-I688 WeakPolarHBondContact O-CG1 3.46Å; D684-I688 PolarHBondContact O-N 3.06Å
685	A	88.3	Confident	91.2	Very high	27 Å²	27	60 Å²	60	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-31.6	-176.1	0	0	0	0	0	113.4	I645 F689	I645-A685 HydrophobicContact CG2-CB 3.95Å; A685-F689 WeakPolarHBondContact O-CB 3.5Å; A685-F689 PolarHBondContact O-N 2.76Å
686	E	91	Very high	91.5	Very high	155 Å²	155	59.9 Å²	59.9	72%	0.724	33%	0.325	S	S	*	.	H	α-helix	trans	-72.5	-46.1	178.8	-65.7	-179	-175.9	0	0	110	D684 I688 F689 E690	D684-E686 VanDerWaalsContact C-N 3.26Å; D684-E686 PolarHBondContact O-N 2.69Å; D684-E686 PolarHBondContact OD1-N 2.81Å; D684-E686 VanDerWaalsContact OD1-N 3.08Å; E686-I688 PolarHBondContact O-N 3.09Å; E686-F689 WeakPolarHBondContact O-CB 3.38Å; E686-F689 PolarHBondContact O-N 2.72Å; E686-E690 PolarHBondContact O-N 3.38Å
687	D	92.1	Very high	91.8	Very high	73 Å²	73	61.7 Å²	61.7	39%	0.39	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-39.7	175.9	-77.2	-25.9	0	0	0	112.2	K683 D684 F689 E690 V691	K683-D687 HydrophobicContact CB-CB 3.74Å; K683-D687 HydrophobicContact CD-CB 4.12Å; K683-D687 HydrophobicContact CG-CB 4.15Å; D684-D687 PolarHBondContact O-N 2.83Å; D684-D687 WeakPolarHBondContact OD1-CB 3.32Å; D684-D687 PolarHBondContact OD1-N 2.96Å; D687-F689 VanDerWaalsContact C-N 3.35Å; D687-E690 PolarHBondContact O-N 3.34Å; D687-V691 WeakPolarHBondContact O-CG2 3.49Å; D687-V691 PolarHBondContact O-N 2.96Å; D687-V691 VanDerWaalsContact O-N 3.16Å
688	I	92.8	Very high	92.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-44.7	175.1	-69.1	169.3	0	0	0	109.9	I645 I649 Y658 F661 I680 K683 D684 E686 E690 V691 V692	I645-I688 HydrophobicContact CD1-CG2 3.98Å; I645-I688 HydrophobicContact CG1-CG2 4.11Å; I649-I688 HydrophobicContact CG1-CD1 4.41Å; I649-I688 HydrophobicContact CG2-CD1 3.8Å; Y658-I688 HydrophobicContact CE1-CD1 4.45Å; F661-I688 HydrophobicContact CE1-CG2 4.02Å; F661-I688 HydrophobicContact CZ-CG2 4.16Å; I680-I688 HydrophobicContact CB-CG1 4.1Å; I680-I688 HydrophobicContact CB-CG2 4.48Å; I680-I688 HydrophobicContact CG2-CG1 4.39Å; I680-I688 HydrophobicContact CG2-CG2 4.09Å; K683-I688 HydrophobicContact CB-CD1 4.44Å; K683-I688 HydrophobicContact CB-CG1 3.72Å; D684-I688 WeakPolarHBondContact O-CB 3.48Å; D684-I688 WeakPolarHBondContact O-CG1 3.46Å; D684-I688 PolarHBondContact O-N 3.06Å; E686-I688 PolarHBondContact O-N 3.09Å; I688-E690 PolarHBondContact O-N 2.67Å; I688-V691 PolarHBondContact O-N 3.12Å; I688-V692 HydrophobicContact CG2-CG2 4.25Å; I688-V692 WeakPolarHBondContact O-CG2 3.33Å; I688-V692 PolarHBondContact O-N 3.07Å
689	F	95.1	Very high	92.5	Very high	33 Å²	33	55.8 Å²	55.8	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-57	-50.2	176.9	-178.7	-83.2	0	0	0	110.9	R638 L641 Q642 I645 A685 E686 D687 V691 V692 W693	R638-F689 HydrophobicContact CB-CZ 4.3Å; R638-F689 HydrophobicContact CG-CZ 4.26Å; L641-F689 HydrophobicContact CB-CE2 4.21Å; L641-F689 HydrophobicContact CD2-CD2 3.69Å; L641-F689 HydrophobicContact CD2-CE2 3.71Å; L641-F689 HydrophobicContact CD2-CG 4.25Å; L641-F689 HydrophobicContact CD2-CZ 4.27Å; L641-F689 HydrophobicContact CG-CD2 3.88Å; L641-F689 HydrophobicContact CG-CE2 3.99Å; Q642-F689 HydrophobicContact CB-CD2 4.31Å; Q642-F689 HydrophobicContact CB-CE2 4.11Å; I645-F689 VanDerWaalsContact CD1-CA 3.49Å; I645-F689 HydrophobicContact CD1-CB 3.69Å; I645-F689 HydrophobicContact CD1-CD2 3.99Å; I645-F689 HydrophobicContact CD1-CG 4.32Å; A685-F689 WeakPolarHBondContact O-CB 3.5Å; A685-F689 PolarHBondContact O-N 2.76Å; E686-F689 WeakPolarHBondContact O-CB 3.38Å; E686-F689 PolarHBondContact O-N 2.72Å; D687-F689 VanDerWaalsContact C-N 3.35Å; F689-V691 VanDerWaalsContact C-N 3.34Å; F689-V691 PolarHBondContact O-N 3.15Å; F689-V692 PolarHBondContact O-N 2.99Å; F689-W693 HydrophobicContact CD1-CB 4.24Å; F689-W693 HydrophobicContact CE1-CB 4.02Å; F689-W693 HydrophobicContact CE1-CG 4.12Å; F689-W693 HydrophobicContact CZ-CD2 4.46Å; F689-W693 HydrophobicContact CZ-CE3 4.36Å; F689-W693 HydrophobicContact CZ-CG 4.49Å; F689-W693 WeakPolarHBondContact O-CA 3.43Å; F689-W693 WeakPolarHBondContact O-CB 3.32Å; F689-W693 PolarHBondContact O-N 2.93Å
690	E	96.3	Very high	92.7	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-59.8	-41.9	-178.9	-70.2	-168.9	169.5	0	0	112.9	E686 D687 I688 A694	E686-E690 PolarHBondContact O-N 3.38Å; D687-E690 PolarHBondContact O-N 3.34Å; I688-E690 PolarHBondContact O-N 2.67Å; E690-A694 WeakPolarHBondContact O-CB 3.5Å; E690-A694 PolarHBondContact O-N 2.86Å
691	V	94.7	Very high	93	Very high	34 Å²	34	58.7 Å²	58.7	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-48.4	-178.8	172.8	0	0	0	0	111.5	D679 K683 D687 I688 F689	D679-V691 HydrophobicContact CB-CG1 4.24Å; K683-V691 HydrophobicContact CD-CG2 4.03Å; D687-V691 WeakPolarHBondContact O-CG2 3.49Å; D687-V691 PolarHBondContact O-N 2.96Å; D687-V691 VanDerWaalsContact O-N 3.16Å; I688-V691 PolarHBondContact O-N 3.12Å; F689-V691 VanDerWaalsContact C-N 3.34Å; F689-V691 PolarHBondContact O-N 3.15Å
692	V	95.3	Very high	93.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-72	-41	-178.4	-178.8	0	0	0	0	109.8	L641 F661 I665 I675 I680 I688 F689 A694 K695 I696	L641-V692 HydrophobicContact CD1-CB 4.07Å; L641-V692 HydrophobicContact CD1-CG1 3.57Å; L641-V692 HydrophobicContact CD2-CB 4.27Å; L641-V692 HydrophobicContact CD2-CG1 4.25Å; F661-V692 HydrophobicContact CE1-CG2 4.08Å; F661-V692 HydrophobicContact CZ-CG2 4.2Å; I665-V692 HydrophobicContact CD1-CG1 4.04Å; I665-V692 HydrophobicContact CG1-CG1 4.42Å; I665-V692 HydrophobicContact CG2-CG1 4.28Å; I675-V692 HydrophobicContact CD1-CB 4.49Å; I675-V692 HydrophobicContact CD1-CG2 4.03Å; I680-V692 HydrophobicContact CG2-CG2 4.2Å; I688-V692 HydrophobicContact CG2-CG2 4.25Å; I688-V692 WeakPolarHBondContact O-CG2 3.33Å; I688-V692 PolarHBondContact O-N 3.07Å; F689-V692 PolarHBondContact O-N 2.99Å; V692-A694 VanDerWaalsContact C-N 3.33Å; V692-A694 PolarHBondContact O-N 3.4Å; V692-K695 PolarHBondContact O-N 3.3Å; V692-K695 VanDerWaalsContact O-N 3.1Å; V692-I696 HydrophobicContact CG1-CD1 3.81Å; V692-I696 HydrophobicContact CG1-CG1 4.34Å; V692-I696 WeakPolarHBondContact O-CG1 3.38Å; V692-I696 PolarHBondContact O-N 2.88Å
693	W	97	Very high	93.4	Very high	18 Å²	18	53.5 Å²	53.5	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-44.3	176.8	-178.5	-102.8	0	0	0	112	D634 L637 R638 L641 F689 K695 I696 E697	D634-W693 VanDerWaalsContact OD1-CZ2 3.3Å; D634-W693 WeakPolarHBondContact OD1-CZ2 3.46Å; L637-W693 HydrophobicContact CB-CH2 3.87Å; L637-W693 HydrophobicContact CB-CZ3 3.71Å; R638-W693 HydrophobicContact CB-CZ3 4.28Å; R638-W693 HydrophobicContact CG-CD2 4.36Å; R638-W693 HydrophobicContact CG-CE3 3.95Å; R638-W693 HydrophobicContact CG-CH2 3.43Å; R638-W693 VanDerWaalsContact CG-CH2 3.43Å; R638-W693 HydrophobicContact CG-CZ2 3.91Å; R638-W693 HydrophobicContact CG-CZ3 3.45Å; R638-W693 VanDerWaalsContact CG-CZ3 3.45Å; L641-W693 HydrophobicContact CD2-CB 4.02Å; L641-W693 HydrophobicContact CD2-CE3 4.07Å; F689-W693 HydrophobicContact CD1-CB 4.24Å; F689-W693 HydrophobicContact CE1-CB 4.02Å; F689-W693 HydrophobicContact CE1-CG 4.12Å; F689-W693 HydrophobicContact CZ-CD2 4.46Å; F689-W693 HydrophobicContact CZ-CE3 4.36Å; F689-W693 HydrophobicContact CZ-CG 4.49Å; F689-W693 WeakPolarHBondContact O-CA 3.43Å; F689-W693 WeakPolarHBondContact O-CB 3.32Å; F689-W693 PolarHBondContact O-N 2.93Å; W693-K695 PolarHBondContact O-N 2.68Å; W693-I696 HydrophobicContact CE3-CG2 4.38Å; W693-I696 HydrophobicContact CZ3-CG2 4.11Å; W693-I696 PolarHBondContact O-N 2.71Å; W693-I696 VanDerWaalsContact O-N 3.16Å; W693-E697 HydrophobicContact CZ2-CB 4.41Å; W693-E697 PolarHBondContact NE1-OE1 2.89Å; W693-E697 VanDerWaalsContact O-CB 3.28Å; W693-E697 WeakPolarHBondContact O-CB 3.32Å; W693-E697 PolarHBondContact O-N 2.86Å
694	A	96.5	Very high	93.6	Very high	54 Å²	54	52.6 Å²	52.6	45%	0.446	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-33.7	178.6	0	0	0	0	0	112.9	E690 V692 A698	E690-A694 WeakPolarHBondContact O-CB 3.5Å; E690-A694 PolarHBondContact O-N 2.86Å; V692-A694 VanDerWaalsContact C-N 3.33Å; V692-A694 PolarHBondContact O-N 3.4Å; A694-A698 WeakPolarHBondContact O-CB 3.24Å; A694-A698 PolarHBondContact O-N 3.29Å
695	K	95.9	Very high	93.7	Very high	65 Å²	65	53.7 Å²	53.7	28%	0.283	29%	0.291	S	S	.	.	H	α-helix	trans	-76.6	-40.6	176.1	-56.8	-159.7	-162.4	-175.7	0	111.7	L670 D674 I675 D679 V692 W693 A698 A699	L670-K695 HydrophobicContact CD1-CB 3.82Å; L670-K695 HydrophobicContact CD2-CB 4.46Å; D674-K695 WeakPolarHBondContact O-CD 3.39Å; D674-K695 WeakPolarHBondContact O-CE 3.45Å; D674-K695 PolarHBondContact O-NZ 3.23Å; I675-K695 HydrophobicContact CD1-CD 3.46Å; I675-K695 VanDerWaalsContact CD1-CD 3.46Å; I675-K695 VanDerWaalsContact CD1-CE 3.48Å; I675-K695 HydrophobicContact CD1-CG 4.18Å; I675-K695 HydrophobicContact CG1-CD 4.16Å; D679-K695 IonicContact OD1-NZ 3.57Å; D679-K695 IonicContact OD2-NZ 2.64Å; D679-K695 PolarHBondContact OD2-NZ 2.94Å; V692-K695 PolarHBondContact O-N 3.3Å; V692-K695 VanDerWaalsContact O-N 3.1Å; W693-K695 PolarHBondContact O-N 2.68Å; K695-A698 PolarHBondContact O-N 2.7Å; K695-A699 PolarHBondContact O-N 2.56Å
696	I	96.2	Very high	93.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-45.6	175.3	-67.7	173.9	0	0	0	111.1	L637 L641 F669 L670 V692 W693 A698 A699 Y700 L779	L637-I696 HydrophobicContact CD2-CG2 4.12Å; L641-I696 HydrophobicContact CD1-CD1 4.21Å; L641-I696 HydrophobicContact CD2-CD1 4.08Å; F669-I696 HydrophobicContact CB-CD1 3.89Å; F669-I696 HydrophobicContact CB-CG1 3.92Å; F669-I696 HydrophobicContact CD1-CD1 3.58Å; F669-I696 HydrophobicContact CD1-CG1 4.17Å; F669-I696 HydrophobicContact CD1-CG2 4.23Å; F669-I696 HydrophobicContact CD2-CD1 4.15Å; F669-I696 HydrophobicContact CE1-CD1 4.07Å; F669-I696 HydrophobicContact CG-CD1 3.62Å; F669-I696 HydrophobicContact CG-CG1 4.18Å; L670-I696 HydrophobicContact CD1-CG1 4.31Å; L670-I696 HydrophobicContact CD2-CG1 4.26Å; L670-I696 HydrophobicContact CG-CG1 4.24Å; V692-I696 HydrophobicContact CG1-CD1 3.81Å; V692-I696 HydrophobicContact CG1-CG1 4.34Å; V692-I696 WeakPolarHBondContact O-CG1 3.38Å; V692-I696 PolarHBondContact O-N 2.88Å; W693-I696 HydrophobicContact CE3-CG2 4.38Å; W693-I696 HydrophobicContact CZ3-CG2 4.11Å; W693-I696 PolarHBondContact O-N 2.71Å; W693-I696 VanDerWaalsContact O-N 3.16Å; I696-A698 VanDerWaalsContact C-N 3.31Å; I696-A698 PolarHBondContact O-N 2.83Å; I696-A699 PolarHBondContact O-N 3.27Å; I696-Y700 WeakPolarHBondContact O-CB 3.42Å; I696-Y700 PolarHBondContact O-N 2.87Å; I696-L779 HydrophobicContact CG2-CD1 4.16Å
697	E	96.2	Very high	93.6	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-39.7	178	-174.3	173	-107.3	0	0	111.2	R638 W693 Y700 Q701	R638-E697 IonicContact NH2-OE1 3.95Å; W693-E697 HydrophobicContact CZ2-CB 4.41Å; W693-E697 PolarHBondContact NE1-OE1 2.89Å; W693-E697 VanDerWaalsContact O-CB 3.28Å; W693-E697 WeakPolarHBondContact O-CB 3.32Å; W693-E697 PolarHBondContact O-N 2.86Å; E697-Y700 PolarHBondContact O-N 3.04Å; E697-Q701 VanDerWaalsContact O-CB 3.3Å; E697-Q701 WeakPolarHBondContact O-CB 3.33Å; E697-Q701 PolarHBondContact O-N 2.87Å
698	A	95.1	Very high	93.4	Very high	61 Å²	61	52.8 Å²	52.8	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.1	0	0	0	0	0	112.6	A694 K695 I696 Q701 S702	A694-A698 WeakPolarHBondContact O-CB 3.24Å; A694-A698 PolarHBondContact O-N 3.29Å; K695-A698 PolarHBondContact O-N 2.7Å; I696-A698 VanDerWaalsContact C-N 3.31Å; I696-A698 PolarHBondContact O-N 2.83Å; A698-Q701 PolarHBondContact O-N 2.75Å; A698-S702 WeakPolarHBondContact O-CB 3.49Å; A698-S702 PolarHBondContact O-N 3.37Å
699	A	93	Very high	93.1	Very high	30 Å²	30	61.7 Å²	61.7	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-43.7	176.1	0	0	0	0	0	111.5	L670 K695 I696 S702 Q703 L779	L670-A699 HydrophobicContact CD2-CB 3.98Å; K695-A699 PolarHBondContact O-N 2.56Å; I696-A699 PolarHBondContact O-N 3.27Å; A699-S702 WeakPolarHBondContact O-CB 3.48Å; A699-S702 PolarHBondContact O-N 3.14Å; A699-Q703 PolarHBondContact O-N 3.19Å; A699-L779 HydrophobicContact CB-CD2 4.12Å
700	Y	94.5	Very high	92.7	Very high	13 Å²	13	63 Å²	63	5%	0.051	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-44	176.1	-174.7	-139.1	0	0	0	111.9	V633 L637 I696 E697 S702 Q703 K704 M711 E715 I778	V633-Y700 WeakPolarHBondContact CB-OH 3.4Å; V633-Y700 HydrophobicContact CG1-CE1 4.35Å; V633-Y700 HydrophobicContact CG1-CE2 3.83Å; V633-Y700 VanDerWaalsContact CG1-OH 3.28Å; V633-Y700 WeakPolarHBondContact CG1-OH 3.44Å; L637-Y700 HydrophobicContact CD1-CD1 4.11Å; L637-Y700 HydrophobicContact CD1-CD2 4.5Å; L637-Y700 HydrophobicContact CD1-CE1 4.33Å; L637-Y700 HydrophobicContact CD1-CG 4.18Å; I696-Y700 WeakPolarHBondContact O-CB 3.42Å; I696-Y700 PolarHBondContact O-N 2.87Å; E697-Y700 PolarHBondContact O-N 3.04Å; Y700-S702 VanDerWaalsContact C-N 3.28Å; Y700-S702 PolarHBondContact O-N 2.93Å; Y700-Q703 WeakPolarHBondContact O-CB 3.47Å; Y700-Q703 PolarHBondContact O-N 3.3Å; Y700-Q703 VanDerWaalsContact O-N 3.12Å; Y700-K704 WeakPolarHBondContact O-CG 3.27Å; Y700-K704 PolarHBondContact O-N 3.48Å; Y700-M711 HydrophobicContact CD2-CE 3.91Å; Y700-M711 HydrophobicContact CE2-CE 3.26Å; Y700-E715 PolarHBondContact OH-OE1 3.09Å; Y700-I778 HydrophobicContact CD2-CG2 3.76Å; Y700-I778 HydrophobicContact CE2-CG2 3.64Å
701	Q	94.2	Very high	92.4	Very high	94 Å²	94	56.8 Å²	56.8	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-37.8	174.7	-174.1	59	48.8	0	0	111.6	E697 A698 Q703 K704 D705	E697-Q701 VanDerWaalsContact O-CB 3.3Å; E697-Q701 WeakPolarHBondContact O-CB 3.33Å; E697-Q701 PolarHBondContact O-N 2.87Å; A698-Q701 PolarHBondContact O-N 2.75Å; Q701-Q703 VanDerWaalsContact C-N 3.31Å; Q701-Q703 PolarHBondContact O-N 3.1Å; Q701-K704 WeakPolarHBondContact O-CB 3.17Å; Q701-K704 PolarHBondContact O-N 2.89Å; Q701-D705 PolarHBondContact NE2-OD1 3.42Å; Q701-D705 VanDerWaalsContact O-CG 3.23Å; Q701-D705 PolarHBondContact O-N 3.01Å
702	S	92	Very high	92.2	Very high	60 Å²	60	57.9 Å²	57.9	42%	0.42	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-39.2	173.8	-171.1	0	0	0	0	112.1	A698 A699 Y700 D705 I706	A698-S702 WeakPolarHBondContact O-CB 3.49Å; A698-S702 PolarHBondContact O-N 3.37Å; A699-S702 WeakPolarHBondContact O-CB 3.48Å; A699-S702 PolarHBondContact O-N 3.14Å; Y700-S702 VanDerWaalsContact C-N 3.28Å; Y700-S702 PolarHBondContact O-N 2.93Å; S702-D705 PolarHBondContact O-N 3.36Å; S702-I706 WeakPolarHBondContact O-CD1 3.4Å; S702-I706 VanDerWaalsContact O-CG1 3.24Å; S702-I706 WeakPolarHBondContact O-CG1 3.19Å; S702-I706 PolarHBondContact O-N 3.12Å; S702-I706 VanDerWaalsContact O-N 3.07Å
703	Q	89.5	Confident	91.8	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-42.6	174.2	-71.4	-71.4	0	0	0	111.3	A699 Y700 Q701 D705 I706 L707 M711 L779 S781	A699-Q703 PolarHBondContact O-N 3.19Å; Y700-Q703 WeakPolarHBondContact O-CB 3.47Å; Y700-Q703 PolarHBondContact O-N 3.3Å; Y700-Q703 VanDerWaalsContact O-N 3.12Å; Q701-Q703 VanDerWaalsContact C-N 3.31Å; Q701-Q703 PolarHBondContact O-N 3.1Å; Q703-D705 VanDerWaalsContact C-N 3.31Å; Q703-D705 PolarHBondContact O-N 2.8Å; Q703-I706 PolarHBondContact O-N 2.98Å; Q703-L707 PolarHBondContact O-N 3.28Å; Q703-M711 HydrophobicContact CB-CE 4.46Å; Q703-L779 PolarHBondContact NE2-O 3.47Å; Q703-S781 PolarHBondContact NE2-O 2.79Å
704	K	91.7	Very high	91.4	Very high	53 Å²	53	59.4 Å²	59.4	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-41.3	174.4	-65.3	-168.3	169.6	-165.4	0	112.6	S630 Y700 Q701 I706 E708 M711 E715	S630-K704 PolarHBondContact OG-NZ 3Å; Y700-K704 WeakPolarHBondContact O-CG 3.27Å; Y700-K704 PolarHBondContact O-N 3.48Å; Q701-K704 WeakPolarHBondContact O-CB 3.17Å; Q701-K704 PolarHBondContact O-N 2.89Å; K704-I706 VanDerWaalsContact C-N 3.34Å; K704-E708 WeakPolarHBondContact O-CA 3.44Å; K704-E708 PolarHBondContact O-N 3.44Å; K704-M711 HydrophobicContact CG-CE 3.82Å; K704-M711 HydrophobicContact CG-CG 3.96Å; K704-M711 HydrophobicContact CG-SD 4.01Å; K704-E715 IonicContact NZ-OE1 3.65Å
705	D	91	Very high	91.2	Very high	101 Å²	101	56.9 Å²	56.9	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-70.2	-30.1	179.5	-66.6	-13.5	0	0	0	112.3	Q701 S702 Q703 E708	Q701-D705 PolarHBondContact NE2-OD1 3.42Å; Q701-D705 VanDerWaalsContact O-CG 3.23Å; Q701-D705 PolarHBondContact O-N 3.01Å; S702-D705 PolarHBondContact O-N 3.36Å; Q703-D705 VanDerWaalsContact C-N 3.31Å; Q703-D705 PolarHBondContact O-N 2.8Å; D705-E708 WeakPolarHBondContact O-CG 3.48Å
706	I	88.4	Confident	91	Very high	81 Å²	81	54.8 Å²	54.8	42%	0.415	28%	0.283	S	S	.	.	H	α-helix	trans	-75.8	-45.3	177.2	-69.4	163.5	0	0	0	111.2	S702 Q703 K704	S702-I706 WeakPolarHBondContact O-CD1 3.4Å; S702-I706 VanDerWaalsContact O-CG1 3.24Å; S702-I706 WeakPolarHBondContact O-CG1 3.19Å; S702-I706 PolarHBondContact O-N 3.12Å; S702-I706 VanDerWaalsContact O-N 3.07Å; Q703-I706 PolarHBondContact O-N 2.98Å; K704-I706 VanDerWaalsContact C-N 3.34Å
707	L	87.2	Confident	90.6	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-87.2	-21.3	-173.8	-71	172.7	0	0	0	113.6	Q703 E709 Q710 M711 F714 V783 I789	Q703-L707 PolarHBondContact O-N 3.28Å; L707-E709 PolarHBondContact O-N 2.99Å; L707-Q710 HydrophobicContact CB-CB 4.48Å; L707-Q710 WeakPolarHBondContact O-CB 3.45Å; L707-Q710 PolarHBondContact O-N 2.92Å; L707-M711 HydrophobicContact CB-CB 4.17Å; L707-M711 HydrophobicContact CB-SD 4.25Å; L707-M711 HydrophobicContact CD1-SD 3.79Å; L707-F714 HydrophobicContact CD1-CB 3.91Å; L707-F714 HydrophobicContact CD1-CD1 3.43Å; L707-F714 VanDerWaalsContact CD1-CD1 3.43Å; L707-F714 HydrophobicContact CD1-CE1 4.08Å; L707-F714 HydrophobicContact CD1-CG 3.7Å; L707-V783 HydrophobicContact CD2-CB 3.72Å; L707-V783 HydrophobicContact CD2-CG1 3.67Å; L707-I789 HydrophobicContact CD2-CD1 3.82Å
708	E	88.5	Confident	90.3	Very high	151 Å²	151	51.7 Å²	51.7	71%	0.706	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	46.2	-110.3	-179.9	-59.5	-174.9	164.9	0	0	112.5	K704 D705 Q710 M711	K704-E708 WeakPolarHBondContact O-CA 3.44Å; K704-E708 PolarHBondContact O-N 3.44Å; D705-E708 WeakPolarHBondContact O-CG 3.48Å; E708-Q710 VanDerWaalsContact C-N 3.28Å; E708-Q710 PolarHBondContact O-N 3.33Å; E708-M711 WeakPolarHBondContact O-CB 3.44Å; E708-M711 PolarHBondContact O-N 3.17Å
709	E	86	Confident	90.3	Very high	186 Å²	186	48.8 Å²	48.8	87%	0.869	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-69.4	-23	-179.2	-62.7	-173.9	166.5	0	0	113.4	L707 M711	L707-E709 PolarHBondContact O-N 2.99Å; E709-M711 VanDerWaalsContact C-N 3.31Å
710	Q	86.5	Confident	90.2	Very high	61 Å²	61	47.5 Å²	47.5	29%	0.285	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-81.4	-11	-179.4	-59.5	-179.6	-26.7	0	0	113.2	L707 E708 N712 E713 F714 I789	L707-Q710 HydrophobicContact CB-CB 4.48Å; L707-Q710 WeakPolarHBondContact O-CB 3.45Å; L707-Q710 PolarHBondContact O-N 2.92Å; E708-Q710 VanDerWaalsContact C-N 3.28Å; E708-Q710 PolarHBondContact O-N 3.33Å; Q710-N712 VanDerWaalsContact C-N 3.33Å; Q710-N712 PolarHBondContact O-N 3.35Å; Q710-E713 PolarHBondContact O-N 2.92Å; Q710-F714 PolarHBondContact O-N 3.42Å; Q710-I789 HydrophobicContact CB-CD1 3.92Å
711	M	90.6	Very high	89.9	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-44.8	-176.1	-174.4	69.7	-174.3	0	0	112.4	Y700 Q703 K704 L707 E708 E709 E713 F714 E715 I778	Y700-M711 HydrophobicContact CD2-CE 3.91Å; Y700-M711 HydrophobicContact CE2-CE 3.26Å; Q703-M711 HydrophobicContact CB-CE 4.46Å; K704-M711 HydrophobicContact CG-CE 3.82Å; K704-M711 HydrophobicContact CG-CG 3.96Å; K704-M711 HydrophobicContact CG-SD 4.01Å; L707-M711 HydrophobicContact CB-CB 4.17Å; L707-M711 HydrophobicContact CB-SD 4.25Å; L707-M711 HydrophobicContact CD1-SD 3.79Å; E708-M711 WeakPolarHBondContact O-CB 3.44Å; E708-M711 PolarHBondContact O-N 3.17Å; E709-M711 VanDerWaalsContact C-N 3.31Å; M711-E713 VanDerWaalsContact C-N 3.31Å; M711-E713 PolarHBondContact O-N 2.93Å; M711-F714 WeakPolarHBondContact O-CB 3.5Å; M711-F714 PolarHBondContact O-N 3.19Å; M711-F714 VanDerWaalsContact O-N 3.16Å; M711-F714 HydrophobicContact SD-CD1 4.37Å; M711-E715 HydrophobicContact CE-CG 3.72Å; M711-E715 WeakPolarHBondContact CE-OE1 3.26Å; M711-E715 HydrophobicContact CG-CG 4.22Å; M711-E715 WeakPolarHBondContact CG-OE1 3.33Å; M711-E715 WeakPolarHBondContact O-CG 3.49Å; M711-E715 PolarHBondContact O-N 3.08Å; M711-E715 HydrophobicContact SD-CG 4.48Å; M711-I778 HydrophobicContact CE-CG2 4.46Å
712	N	90.1	Very high	89.7	Confident	57 Å²	57	46.6 Å²	46.6	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-38	-177.9	-67.8	2.3	0	0	0	111.9	E627 Q710 R716	E627-N712 PolarHBondContact O-ND2 3.3Å; Q710-N712 VanDerWaalsContact C-N 3.33Å; Q710-N712 PolarHBondContact O-N 3.35Å; N712-R716 VanDerWaalsContact O-CG 3.31Å; N712-R716 WeakPolarHBondContact O-CG 3.47Å; N712-R716 PolarHBondContact O-N 2.82Å; N712-R716 VanDerWaalsContact O-N 3.13Å
713	E	86.9	Confident	89.8	Confident	49 Å²	49	43.9 Å²	43.9	23%	0.229	21%	0.208	C	C	.	.	H	α-helix	trans	-69.9	-37.9	175.8	-73.3	-62	124.8	0	0	111.7	Q710 M711 R716 M717 I789 R791	Q710-E713 PolarHBondContact O-N 2.92Å; M711-E713 VanDerWaalsContact C-N 3.31Å; M711-E713 PolarHBondContact O-N 2.93Å; E713-R716 IonicContact OE1-CZ 2.69Å; E713-R716 IonicContact OE1-NH1 3.48Å; E713-R716 PolarHBondContact OE1-NH1 3.29Å; E713-M717 VanDerWaalsContact O-CB 3.3Å; E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 PolarHBondContact O-N 2.99Å; E713-I789 HydrophobicContact CB-CG2 4.28Å; E713-R791 IonicContact OE1-CZ 3.62Å; E713-R791 IonicContact OE1-NH2 3.82Å; E713-R791 PolarHBondContact OE1-NH2 3.27Å; E713-R791 IonicContact OE2-CZ 3.4Å; E713-R791 IonicContact OE2-NE 2.71Å; E713-R791 PolarHBondContact OE2-NE 3.46Å; E713-R791 IonicContact OE2-NH2 3.1Å; E713-R791 PolarHBondContact OE2-NH2 3.35Å
714	F	89.4	Confident	89.8	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-50.3	175	179.3	-113.9	0	0	0	111.8	V287 L707 Q710 M711 R716 M717 I718 I778 V783 I789	V287-F714 HydrophobicContact CG2-CE2 4Å; L707-F714 HydrophobicContact CD1-CB 3.91Å; L707-F714 HydrophobicContact CD1-CD1 3.43Å; L707-F714 VanDerWaalsContact CD1-CD1 3.43Å; L707-F714 HydrophobicContact CD1-CE1 4.08Å; L707-F714 HydrophobicContact CD1-CG 3.7Å; Q710-F714 PolarHBondContact O-N 3.42Å; M711-F714 WeakPolarHBondContact O-CB 3.5Å; M711-F714 PolarHBondContact O-N 3.19Å; M711-F714 VanDerWaalsContact O-N 3.16Å; M711-F714 HydrophobicContact SD-CD1 4.37Å; F714-R716 PolarHBondContact O-N 3Å; F714-M717 WeakPolarHBondContact O-CB 3.33Å; F714-M717 PolarHBondContact O-N 2.91Å; F714-M717 VanDerWaalsContact O-N 3.14Å; F714-I718 HydrophobicContact CD2-CD1 4.5Å; F714-I718 HydrophobicContact CD2-CG1 4.27Å; F714-I718 HydrophobicContact CE1-CG1 4.27Å; F714-I718 HydrophobicContact CE2-CD1 3.79Å; F714-I718 HydrophobicContact CE2-CG1 3.8Å; F714-I718 HydrophobicContact CZ-CD1 4.04Å; F714-I718 HydrophobicContact CZ-CG1 3.79Å; F714-I718 WeakPolarHBondContact O-CG1 3.2Å; F714-I718 PolarHBondContact O-N 2.65Å; F714-I778 HydrophobicContact CE1-CG1 4.47Å; F714-V783 HydrophobicContact CD2-CG2 3.9Å; F714-V783 HydrophobicContact CE2-CG2 3.46Å; F714-V783 VanDerWaalsContact CE2-CG2 3.46Å; F714-V783 HydrophobicContact CZ-CG2 3.82Å; F714-I789 HydrophobicContact CB-CG2 4.38Å
715	E	92.4	Very high	89.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.1	-50.5	176.1	-72.5	173.5	-176.6	0	0	111.2	S630 V633 Y700 K704 M711 M717 I718 L719	S630-E715 VanDerWaalsContact CA-OE2 3.3Å; S630-E715 WeakPolarHBondContact CA-OE2 3.44Å; S630-E715 PolarHBondContact N-OE2 3.37Å; S630-E715 PolarHBondContact OG-OE1 2.99Å; S630-E715 PolarHBondContact OG-OE2 3.49Å; S630-E715 VanDerWaalsContact OG-OE2 3.08Å; V633-E715 HydrophobicContact CG2-CB 4.23Å; V633-E715 HydrophobicContact CG2-CG 4.16Å; Y700-E715 PolarHBondContact OH-OE1 3.09Å; K704-E715 IonicContact NZ-OE1 3.65Å; M711-E715 HydrophobicContact CE-CG 3.72Å; M711-E715 WeakPolarHBondContact CE-OE1 3.26Å; M711-E715 HydrophobicContact CG-CG 4.22Å; M711-E715 WeakPolarHBondContact CG-OE1 3.33Å; M711-E715 WeakPolarHBondContact O-CG 3.49Å; M711-E715 PolarHBondContact O-N 3.08Å; M711-E715 HydrophobicContact SD-CG 4.48Å; E715-M717 VanDerWaalsContact C-N 3.35Å; E715-M717 PolarHBondContact O-N 3.2Å; E715-I718 PolarHBondContact O-N 2.95Å; E715-L719 WeakPolarHBondContact O-CB 3.2Å; E715-L719 WeakPolarHBondContact O-CD1 3.48Å; E715-L719 VanDerWaalsContact O-CG 3.26Å; E715-L719 WeakPolarHBondContact O-CG 3.26Å; E715-L719 PolarHBondContact O-N 3.01Å
716	R	91	Very high	89.6	Confident	22 Å²	22	40.9 Å²	40.9	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-45.1	176.8	-75.7	-176.6	-171.2	113.1	10.8	112.3	I623 E626 E627 N712 E713 F714 I718 L719 L720	I623-R716 HydrophobicContact CG2-CB 4.24Å; I623-R716 HydrophobicContact CG2-CG 3.97Å; I623-R716 PolarHBondContact O-NE 3.06Å; E626-R716 PolarHBondContact O-NE 2.92Å; E626-R716 PolarHBondContact O-NH2 3.13Å; E627-R716 PolarHBondContact O-NH2 3.36Å; N712-R716 VanDerWaalsContact O-CG 3.31Å; N712-R716 WeakPolarHBondContact O-CG 3.47Å; N712-R716 PolarHBondContact O-N 2.82Å; N712-R716 VanDerWaalsContact O-N 3.13Å; E713-R716 IonicContact OE1-CZ 2.69Å; E713-R716 IonicContact OE1-NH1 3.48Å; E713-R716 PolarHBondContact OE1-NH1 3.29Å; F714-R716 PolarHBondContact O-N 3Å; R716-I718 PolarHBondContact O-N 3.47Å; R716-L719 PolarHBondContact O-N 2.97Å; R716-L720 WeakPolarHBondContact O-CB 3.4Å; R716-L720 VanDerWaalsContact O-CG 3.28Å; R716-L720 WeakPolarHBondContact O-CG 3.48Å; R716-L720 PolarHBondContact O-N 3.26Å
717	M	88.1	Confident	89.8	Confident	29 Å²	29	37.3 Å²	37.3	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-46	-178.4	-173.4	-165.5	-48	0	0	111.2	V287 E713 F714 E715 R721 I789	V287-M717 HydrophobicContact CG1-SD 3.77Å; E713-M717 VanDerWaalsContact O-CB 3.3Å; E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 PolarHBondContact O-N 2.99Å; F714-M717 WeakPolarHBondContact O-CB 3.33Å; F714-M717 PolarHBondContact O-N 2.91Å; F714-M717 VanDerWaalsContact O-N 3.14Å; E715-M717 VanDerWaalsContact C-N 3.35Å; E715-M717 PolarHBondContact O-N 3.2Å; M717-R721 WeakPolarHBondContact O-CB 3.42Å; M717-R721 PolarHBondContact O-N 2.9Å; M717-I789 HydrophobicContact CE-CB 4.13Å; M717-I789 HydrophobicContact CE-CG2 3.16Å
718	I	91.2	Very high	89.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-48.9	177.3	-62	-51.6	0	0	0	110.7	V287 F714 E715 R716 R721 S722 T774 F777 I778	V287-I718 HydrophobicContact CG2-CD1 3.32Å; F714-I718 HydrophobicContact CD2-CD1 4.5Å; F714-I718 HydrophobicContact CD2-CG1 4.27Å; F714-I718 HydrophobicContact CE1-CG1 4.27Å; F714-I718 HydrophobicContact CE2-CD1 3.79Å; F714-I718 HydrophobicContact CE2-CG1 3.8Å; F714-I718 HydrophobicContact CZ-CD1 4.04Å; F714-I718 HydrophobicContact CZ-CG1 3.79Å; F714-I718 WeakPolarHBondContact O-CG1 3.2Å; F714-I718 PolarHBondContact O-N 2.65Å; E715-I718 PolarHBondContact O-N 2.95Å; R716-I718 PolarHBondContact O-N 3.47Å; I718-R721 PolarHBondContact O-N 3.31Å; I718-S722 VanDerWaalsContact O-CB 3.31Å; I718-S722 WeakPolarHBondContact O-CB 3.2Å; I718-S722 PolarHBondContact O-N 3.4Å; I718-T774 HydrophobicContact CG2-CG2 4.29Å; I718-F777 HydrophobicContact CD1-CB 3.78Å; I718-F777 HydrophobicContact CG1-CB 4.29Å; I718-F777 HydrophobicContact CG2-CB 3.73Å; I718-I778 HydrophobicContact CB-CG1 4.03Å; I718-I778 HydrophobicContact CG1-CG1 4.07Å; I718-I778 HydrophobicContact CG2-CD1 4.45Å; I718-I778 HydrophobicContact CG2-CG1 3.9Å
719	L	93.4	Very high	89.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-53.4	-179.5	-77	166.7	0	0	0	111.6	I623 V632 V633 M636 E715 R716 R721 S722 I723 T774	I623-L719 HydrophobicContact CD1-CB 4.01Å; I623-L719 HydrophobicContact CD1-CD1 4.29Å; I623-L719 HydrophobicContact CG1-CD1 4.23Å; I623-L719 HydrophobicContact CG2-CB 4.23Å; I623-L719 HydrophobicContact CG2-CD1 4.24Å; V632-L719 HydrophobicContact CG1-CD1 4.42Å; V632-L719 HydrophobicContact CG1-CD2 4.1Å; V633-L719 HydrophobicContact CG2-CD1 3.95Å; V633-L719 HydrophobicContact CG2-CD2 4.46Å; V633-L719 HydrophobicContact CG2-CG 4.3Å; M636-L719 HydrophobicContact CE-CD2 3.94Å; M636-L719 HydrophobicContact SD-CD2 3.74Å; E715-L719 WeakPolarHBondContact O-CB 3.2Å; E715-L719 WeakPolarHBondContact O-CD1 3.48Å; E715-L719 VanDerWaalsContact O-CG 3.26Å; E715-L719 WeakPolarHBondContact O-CG 3.26Å; E715-L719 PolarHBondContact O-N 3.01Å; R716-L719 PolarHBondContact O-N 2.97Å; L719-R721 PolarHBondContact O-N 3.03Å; L719-S722 PolarHBondContact O-N 3.47Å; L719-I723 WeakPolarHBondContact O-CB 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.47Å; L719-I723 PolarHBondContact O-N 2.93Å; L719-T774 HydrophobicContact CD2-CG2 3.64Å; L719-T774 HydrophobicContact CG-CG2 4.22Å
720	L	92	Very high	89.9	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-43.1	-179	-68.3	177	0	0	0	111.6	R620 I623 I624 R716 I723 D724	R620-L720 HydrophobicContact CG-CD2 3.49Å; R620-L720 VanDerWaalsContact CG-CD2 3.49Å; I623-L720 HydrophobicContact CB-CD2 4.31Å; I623-L720 HydrophobicContact CG2-CD2 3.97Å; I623-L720 HydrophobicContact CG2-CG 3.98Å; I624-L720 HydrophobicContact CD1-CD1 4.4Å; I624-L720 HydrophobicContact CD1-CD2 4.1Å; I624-L720 HydrophobicContact CG1-CD1 3.91Å; I624-L720 HydrophobicContact CG1-CD2 3.94Å; R716-L720 WeakPolarHBondContact O-CB 3.4Å; R716-L720 VanDerWaalsContact O-CG 3.28Å; R716-L720 WeakPolarHBondContact O-CG 3.48Å; R716-L720 PolarHBondContact O-N 3.26Å; L720-I723 PolarHBondContact O-N 2.9Å; L720-D724 VanDerWaalsContact O-CB 3.22Å; L720-D724 WeakPolarHBondContact O-CB 3.37Å; L720-D724 PolarHBondContact O-N 2.97Å
721	R	87.2	Confident	90.1	Very high	83 Å²	83	19.8 Å²	19.8	31%	0.313	10%	0.099	S	C	.	.	H	α-helix	trans	-62.3	-46	178.1	-175.9	-177.1	-170.5	133	6.4	112	V287 V290 M717 I718 L719 S725	V287-R721 PolarHBondContact O-NH1 3.01Å; V287-R721 PolarHBondContact O-NH2 3.32Å; V290-R721 VanDerWaalsContact CB-NH2 3.35Å; M717-R721 WeakPolarHBondContact O-CB 3.42Å; M717-R721 PolarHBondContact O-N 2.9Å; I718-R721 PolarHBondContact O-N 3.31Å; L719-R721 PolarHBondContact O-N 3.03Å; R721-S725 VanDerWaalsContact O-CB 3.29Å; R721-S725 WeakPolarHBondContact O-CB 3.35Å; R721-S725 PolarHBondContact O-N 3.03Å
722	S	90.8	Very high	89.7	Confident	4 Å²	4	20.5 Å²	20.5	3%	0.028	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-50.2	179	-177.2	0	0	0	0	110.5	I718 L719 D724 S725 H726 I770	I718-S722 VanDerWaalsContact O-CB 3.31Å; I718-S722 WeakPolarHBondContact O-CB 3.2Å; I718-S722 PolarHBondContact O-N 3.4Å; L719-S722 PolarHBondContact O-N 3.47Å; S722-D724 PolarHBondContact O-N 3.4Å; S722-S725 PolarHBondContact O-N 3.06Å; S722-H726 PolarHBondContact O-CD2 3.27Å; S722-H726 VanDerWaalsContact O-CD2 3.23Å; S722-H726 PolarHBondContact O-N 3.22Å; S722-H726 VanDerWaalsContact O-N 3.15Å; S722-I770 WeakPolarHBondContact OG-CA 3.46Å; S722-I770 PolarHBondContact OG-O 3.1Å
723	I	93.5	Very high	89.5	Confident	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-52.8	176.5	-69.6	167.8	0	0	0	110.8	I616 E619 I623 L719 L720 S725 W727 I770	I616-I723 HydrophobicContact CG2-CG2 3.7Å; E619-I723 HydrophobicContact CG-CD1 4.44Å; I623-I723 HydrophobicContact CD1-CD1 3.43Å; I623-I723 VanDerWaalsContact CD1-CD1 3.43Å; L719-I723 WeakPolarHBondContact O-CB 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.47Å; L719-I723 PolarHBondContact O-N 2.93Å; L720-I723 PolarHBondContact O-N 2.9Å; I723-S725 PolarHBondContact O-N 2.8Å; I723-W727 WeakPolarHBondContact O-CB 3.44Å; I723-W727 PolarHBondContact O-N 3.26Å; I723-I770 HydrophobicContact CG1-CD1 4.4Å; I723-I770 HydrophobicContact CG1-CG2 3.78Å
724	D	90.5	Very high	89.5	Confident	39 Å²	39	16.5 Å²	16.5	21%	0.209	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-38.5	-172.9	-71.8	-16.4	0	0	0	111.7	R620 L720 S722 T728	R620-D724 IonicContact CZ-OD1 2.81Å; R620-D724 IonicContact CZ-OD2 3.67Å; R620-D724 IonicContact NE-OD1 2.86Å; R620-D724 PolarHBondContact NE-OD1 3.34Å; R620-D724 IonicContact NE-OD2 2.78Å; R620-D724 PolarHBondContact NE-OD2 2.91Å; R620-D724 IonicContact NH2-OD1 3.79Å; R620-D724 IonicContact NH2-OD2 2.77Å; R620-D724 PolarHBondContact NH2-OD2 3.31Å; L720-D724 VanDerWaalsContact O-CB 3.22Å; L720-D724 WeakPolarHBondContact O-CB 3.37Å; L720-D724 PolarHBondContact O-N 2.97Å; S722-D724 PolarHBondContact O-N 3.4Å; D724-T728 WeakPolarHBondContact O-CB 3.5Å; D724-T728 PolarHBondContact O-N 3.22Å; D724-T728 VanDerWaalsContact O-N 3.13Å; D724-T728 PolarHBondContact O-OG1 3.1Å
725	S	85.6	Confident	89.1	Confident	52 Å²	52	18.7 Å²	18.7	36%	0.364	10%	0.095	S	C	.	.	H	α-helix	trans	-62.5	-58.7	177	-174.6	0	0	0	0	111.4	K356 R721 S722 I723 T728 D729	K356-S725 PolarHBondContact NZ-O 3.27Å; R721-S725 VanDerWaalsContact O-CB 3.29Å; R721-S725 WeakPolarHBondContact O-CB 3.35Å; R721-S725 PolarHBondContact O-N 3.03Å; S722-S725 PolarHBondContact O-N 3.06Å; I723-S725 PolarHBondContact O-N 2.8Å; S725-T728 PolarHBondContact O-N 3.29Å; S725-D729 PolarHBondContact O-N 3.26Å; S725-D729 VanDerWaalsContact O-N 3.17Å; S725-D729 VanDerWaalsContact O-OD2 3.14Å
726	H	91.9	Very high	88.5	Confident	22 Å²	22	21.9 Å²	21.9	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-66.1	-39.7	-176.8	-76	-58.5	0	0	0	112.5	S722 T728 D729 H730 M766 I770 D773	S722-H726 PolarHBondContact O-CD2 3.27Å; S722-H726 VanDerWaalsContact O-CD2 3.23Å; S722-H726 PolarHBondContact O-N 3.22Å; S722-H726 VanDerWaalsContact O-N 3.15Å; H726-T728 VanDerWaalsContact C-N 3.3Å; H726-T728 PolarHBondContact O-N 3Å; H726-D729 PolarHBondContact O-N 2.89Å; H726-H730 WeakPolarHBondContact O-CB 3.06Å; H726-H730 PolarHBondContact O-N 3.22Å; H726-M766 HydrophobicContact CB-CG 3.81Å; H726-I770 HydrophobicContact CB-CD1 4.05Å; H726-I770 HydrophobicContact CB-CG1 3.58Å; H726-D773 IonicContact CD2-OD2 3.74Å; H726-D773 IonicContact CE1-OD2 2.84Å; H726-D773 PolarHBondContact CE1-OD2 3.38Å; H726-D773 IonicContact NE2-OD2 3.83Å; H726-D773 PolarHBondContact NE2-OD2 3.19Å
727	W	93.2	Very high	88.1	Confident	6 Å²	6	21.5 Å²	21.5	2%	0.023	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-40.5	176.8	176.9	-125.2	0	0	0	112.1	Q612 R613 I616 Y617 I723 H730 I731 F763 M766	Q612-W727 HydrophobicContact CB-CH2 4.05Å; Q612-W727 HydrophobicContact CB-CZ3 4.04Å; R613-W727 HydrophobicContact CB-CH2 3.97Å; R613-W727 HydrophobicContact CB-CZ2 3.69Å; R613-W727 HydrophobicContact CG-CZ2 3.96Å; I616-W727 HydrophobicContact CB-CD2 4.33Å; I616-W727 HydrophobicContact CB-CE3 4.44Å; I616-W727 HydrophobicContact CG1-CD2 4.14Å; I616-W727 HydrophobicContact CG1-CE3 3.79Å; I616-W727 HydrophobicContact CG1-CZ3 4.07Å; I616-W727 HydrophobicContact CG2-CB 4.24Å; I616-W727 HydrophobicContact CG2-CD2 4.02Å; I616-W727 HydrophobicContact CG2-CG 3.87Å; Y617-W727 AromaticContact CE1-NE1 3.49Å; I723-W727 WeakPolarHBondContact O-CB 3.44Å; I723-W727 PolarHBondContact O-N 3.26Å; W727-H730 HydrophobicContact CE3-CB 4.41Å; W727-H730 AromaticContact CE3-CD2 3.85Å; W727-H730 AromaticContact CZ3-CD2 3.45Å; W727-H730 VanDerWaalsContact CZ3-CD2 3.45Å; W727-H730 WeakPolarHBondContact CZ3-CD2 3.07Å; W727-H730 PolarHBondContact O-N 3.18Å; W727-I731 HydrophobicContact CD2-CD1 4.17Å; W727-I731 HydrophobicContact CD2-CG1 4.2Å; W727-I731 HydrophobicContact CG-CD1 4.38Å; W727-I731 HydrophobicContact CH2-CG1 4.32Å; W727-I731 HydrophobicContact CZ2-CD1 3.93Å; W727-I731 HydrophobicContact CZ2-CG1 3.9Å; W727-I731 WeakPolarHBondContact O-CG1 3.45Å; W727-I731 PolarHBondContact O-N 3.29Å; W727-F763 HydrophobicContact CZ3-CE2 4.41Å; W727-M766 HydrophobicContact CE3-CE 4.11Å; W727-M766 HydrophobicContact CE3-SD 3.81Å
728	T	87.7	Confident	87.8	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-45	177.4	-56.6	0	0	0	0	111.3	K356 T357 M358 D724 S725 H726 H730 I731 D732	K356-T728 HydrophobicContact CD-CG2 3.4Å; K356-T728 VanDerWaalsContact CD-CG2 3.4Å; K356-T728 HydrophobicContact CG-CG2 3.61Å; T357-T728 WeakPolarHBondContact O-CG2 3.41Å; M358-T728 HydrophobicContact CE-CG2 4.42Å; M358-T728 HydrophobicContact SD-CG2 3.81Å; D724-T728 WeakPolarHBondContact O-CB 3.5Å; D724-T728 PolarHBondContact O-N 3.22Å; D724-T728 VanDerWaalsContact O-N 3.13Å; D724-T728 PolarHBondContact O-OG1 3.1Å; S725-T728 PolarHBondContact O-N 3.29Å; H726-T728 VanDerWaalsContact C-N 3.3Å; H726-T728 PolarHBondContact O-N 3Å; T728-H730 VanDerWaalsContact C-N 3.27Å; T728-H730 PolarHBondContact O-N 3.48Å; T728-I731 PolarHBondContact O-N 3.17Å; T728-D732 PolarHBondContact O-N 3.28Å
729	D	85.3	Confident	87	Confident	16 Å²	16	29 Å²	29	9%	0.086	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-36.9	176	-75.2	-50.4	0	0	0	112.2	E337 K356 S725 H726 D732 T733	E337-D729 HydrophobicContact CG-CB 4.17Å; K356-D729 VanDerWaalsContact CE-CG 3.47Å; K356-D729 WeakPolarHBondContact CE-OD1 3.43Å; K356-D729 IonicContact NZ-OD1 2.74Å; K356-D729 PolarHBondContact NZ-OD1 2.98Å; K356-D729 IonicContact NZ-OD2 3.95Å; K356-D729 PolarHBondContact NZ-OD2 3.38Å; S725-D729 PolarHBondContact O-N 3.26Å; S725-D729 VanDerWaalsContact O-N 3.17Å; S725-D729 VanDerWaalsContact O-OD2 3.14Å; H726-D729 PolarHBondContact O-N 2.89Å; D729-D732 PolarHBondContact O-N 3.28Å; D729-T733 WeakPolarHBondContact O-CB 3.48Å; D729-T733 PolarHBondContact O-N 3.3Å; D729-T733 PolarHBondContact O-OG1 2.88Å
730	H	91.6	Very high	85.9	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-40.9	176.8	-178.2	75.3	0	0	0	112.7	Q612 H726 W727 T728 D732 T733 M734 F763 M766	Q612-H730 PolarHBondContact OE1-NE2 3.46Å; H726-H730 WeakPolarHBondContact O-CB 3.06Å; H726-H730 PolarHBondContact O-N 3.22Å; W727-H730 HydrophobicContact CE3-CB 4.41Å; W727-H730 AromaticContact CE3-CD2 3.85Å; W727-H730 AromaticContact CZ3-CD2 3.45Å; W727-H730 VanDerWaalsContact CZ3-CD2 3.45Å; W727-H730 WeakPolarHBondContact CZ3-CD2 3.07Å; W727-H730 PolarHBondContact O-N 3.18Å; T728-H730 VanDerWaalsContact C-N 3.27Å; T728-H730 PolarHBondContact O-N 3.48Å; H730-D732 VanDerWaalsContact C-N 3.32Å; H730-D732 PolarHBondContact O-N 3.27Å; H730-T733 PolarHBondContact O-N 3.35Å; H730-M734 WeakPolarHBondContact NE2-CG 3.34Å; H730-M734 WeakPolarHBondContact O-CB 3.32Å; H730-M734 VanDerWaalsContact O-CG 3.24Å; H730-M734 WeakPolarHBondContact O-CG 3.44Å; H730-M734 PolarHBondContact O-N 3.47Å; H730-F763 AromaticContact NE2-CD2 3.97Å; H730-M766 HydrophobicContact CB-CG 4.02Å; H730-M766 HydrophobicContact CB-SD 3.25Å; H730-M766 WeakPolarHBondContact CB-SD 3.47Å; H730-M766 VanDerWaalsContact CG-SD 3.51Å
731	I	89	Confident	84.8	Confident	6 Å²	6	29 Å²	29	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-48.3	174.1	-71.6	166.9	0	0	0	110.4	T357 W727 T728 M734 D735	T357-I731 HydrophobicContact CG2-CG2 3.93Å; W727-I731 HydrophobicContact CD2-CD1 4.17Å; W727-I731 HydrophobicContact CD2-CG1 4.2Å; W727-I731 HydrophobicContact CG-CD1 4.38Å; W727-I731 HydrophobicContact CH2-CG1 4.32Å; W727-I731 HydrophobicContact CZ2-CD1 3.93Å; W727-I731 HydrophobicContact CZ2-CG1 3.9Å; W727-I731 WeakPolarHBondContact O-CG1 3.45Å; W727-I731 PolarHBondContact O-N 3.29Å; T728-I731 PolarHBondContact O-N 3.17Å; I731-M734 PolarHBondContact O-N 3.09Å; I731-D735 PolarHBondContact O-N 2.85Å
732	D	83.1	Confident	83.8	Confident	19 Å²	19	30 Å²	30	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-42.1	179.8	-80.4	-25.4	0	0	0	111.6	K356 T357 T728 D729 H730 M734 D735 Q736	K356-D732 WeakPolarHBondContact CA-OD2 3.26Å; K356-D732 WeakPolarHBondContact CG-OD2 3.17Å; T357-D732 WeakPolarHBondContact CB-OD1 3.46Å; T357-D732 PolarHBondContact N-OD1 3.05Å; T357-D732 VanDerWaalsContact N-OD1 3.1Å; T357-D732 PolarHBondContact N-OD2 2.89Å; T357-D732 VanDerWaalsContact N-OD2 3.12Å; T357-D732 PolarHBondContact OG1-OD1 2.94Å; T728-D732 PolarHBondContact O-N 3.28Å; D729-D732 PolarHBondContact O-N 3.28Å; H730-D732 VanDerWaalsContact C-N 3.32Å; H730-D732 PolarHBondContact O-N 3.27Å; D732-M734 VanDerWaalsContact C-N 3.35Å; D732-M734 PolarHBondContact O-N 3.43Å; D732-D735 PolarHBondContact O-N 2.85Å; D732-Q736 WeakPolarHBondContact O-CG 3.36Å; D732-Q736 PolarHBondContact O-N 2.95Å
733	T	84.9	Confident	82.2	Confident	23 Å²	23	35 Å²	35	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-43.5	176.8	-58.4	0	0	0	0	111.4	S336 D729 H730 Q736 L737 L762	S336-T733 VanDerWaalsContact CB-OG1 3.24Å; S336-T733 WeakPolarHBondContact CB-OG1 3.25Å; D729-T733 WeakPolarHBondContact O-CB 3.48Å; D729-T733 PolarHBondContact O-N 3.3Å; D729-T733 PolarHBondContact O-OG1 2.88Å; H730-T733 PolarHBondContact O-N 3.35Å; T733-Q736 PolarHBondContact O-N 3.39Å; T733-L737 WeakPolarHBondContact O-CB 3.37Å; T733-L737 PolarHBondContact O-N 2.93Å; T733-L762 HydrophobicContact CG2-CD1 3.9Å; T733-L762 HydrophobicContact CG2-CD2 4.26Å
734	M	87.3	Confident	80.5	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-35.8	177.9	-74.5	-65.6	-75.7	0	0	112.6	V608 L609 H730 I731 D732 L737 R738 Y755 G759 L762	V608-M734 HydrophobicContact CG1-CE 4.07Å; L609-M734 HydrophobicContact CD1-CB 4.11Å; L609-M734 HydrophobicContact CD2-CB 3.64Å; L609-M734 HydrophobicContact CD2-CE 4.18Å; L609-M734 HydrophobicContact CD2-CG 3.73Å; L609-M734 HydrophobicContact CG-CB 4.13Å; L609-M734 HydrophobicContact CG-CE 4.16Å; L609-M734 HydrophobicContact CG-CG 4.49Å; H730-M734 WeakPolarHBondContact NE2-CG 3.34Å; H730-M734 WeakPolarHBondContact O-CB 3.32Å; H730-M734 VanDerWaalsContact O-CG 3.24Å; H730-M734 WeakPolarHBondContact O-CG 3.44Å; H730-M734 PolarHBondContact O-N 3.47Å; I731-M734 PolarHBondContact O-N 3.09Å; D732-M734 VanDerWaalsContact C-N 3.35Å; D732-M734 PolarHBondContact O-N 3.43Å; M734-L737 PolarHBondContact O-N 2.87Å; M734-L737 HydrophobicContact SD-CD2 4.04Å; M734-R738 WeakPolarHBondContact O-CB 3.35Å; M734-R738 PolarHBondContact O-N 3.24Å; M734-Y755 HydrophobicContact CE-CE1 3.85Å; M734-Y755 HydrophobicContact CE-CE2 4.1Å; M734-Y755 WeakPolarHBondContact CE-OH 3.35Å; M734-G759 VanDerWaalsContact SD-CA 3.55Å; M734-L762 HydrophobicContact SD-CD1 4.16Å
735	D	82.2	Confident	78.7	Confident	48 Å²	48	40 Å²	40	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-44.5	173.5	-171.8	60.5	0	0	0	111.6	I731 D732 L737 R738 Q739	I731-D735 PolarHBondContact O-N 2.85Å; D732-D735 PolarHBondContact O-N 2.85Å; D735-L737 VanDerWaalsContact C-N 3.33Å; D735-L737 PolarHBondContact O-N 3.03Å; D735-R738 WeakPolarHBondContact O-CB 3.49Å; D735-R738 PolarHBondContact O-N 3.04Å; D735-R738 IonicContact OD1-CZ 3.84Å; D735-R738 IonicContact OD1-NE 3.09Å; D735-R738 PolarHBondContact OD1-NE 3.3Å; D735-R738 IonicContact OD1-NH2 3.93Å; D735-R738 PolarHBondContact OD1-NH2 2.73Å; D735-Q739 WeakPolarHBondContact O-CG 3.49Å; D735-Q739 PolarHBondContact O-N 2.86Å; D735-Q739 PolarHBondContact OD2-NE2 3.42Å
736	Q	79	Confident	77.2	Confident	67 Å²	67	47.2 Å²	47.2	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-42.8	174.5	-68.8	177.6	9.3	0	0	111.9	R334 D732 T733 R738 Q739 G740	R334-Q736 PolarHBondContact O-OE1 3.44Å; R334-Q736 VanDerWaalsContact O-OE1 3.11Å; D732-Q736 WeakPolarHBondContact O-CG 3.36Å; D732-Q736 PolarHBondContact O-N 2.95Å; T733-Q736 PolarHBondContact O-N 3.39Å; Q736-R738 VanDerWaalsContact C-N 3.33Å; Q736-R738 PolarHBondContact O-N 3.27Å; Q736-Q739 PolarHBondContact O-N 3.13Å; Q736-G740 PolarHBondContact O-N 3.39Å
737	L	82.7	Confident	75.4	Confident	14 Å²	14	49.3 Å²	49.3	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-46.9	175.4	177	60.1	0	0	0	110.7	T733 M734 D735 Q739 G740 I741 Y755 E758 L762	T733-L737 WeakPolarHBondContact O-CB 3.37Å; T733-L737 PolarHBondContact O-N 2.93Å; M734-L737 PolarHBondContact O-N 2.87Å; M734-L737 HydrophobicContact SD-CD2 4.04Å; D735-L737 VanDerWaalsContact C-N 3.33Å; D735-L737 PolarHBondContact O-N 3.03Å; L737-Q739 PolarHBondContact O-N 2.88Å; L737-G740 PolarHBondContact O-N 3.4Å; L737-G740 VanDerWaalsContact O-N 3.14Å; L737-I741 HydrophobicContact CD1-CD1 3.97Å; L737-I741 HydrophobicContact CG-CD1 4.45Å; L737-I741 WeakPolarHBondContact O-CB 3.42Å; L737-I741 PolarHBondContact O-N 3.43Å; L737-Y755 HydrophobicContact CB-CE2 4.29Å; L737-Y755 HydrophobicContact CD2-CD2 3.82Å; L737-Y755 HydrophobicContact CD2-CE2 4.01Å; L737-Y755 HydrophobicContact CG-CD2 3.76Å; L737-Y755 HydrophobicContact CG-CE2 3.98Å; L737-E758 HydrophobicContact CD1-CG 4.06Å; L737-E758 WeakPolarHBondContact CD1-OE1 3.5Å; L737-E758 WeakPolarHBondContact CD1-OE2 3.34Å; L737-E758 HydrophobicContact CD2-CB 4.06Å; L737-E758 HydrophobicContact CD2-CG 3.92Å; L737-L762 HydrophobicContact CD2-CD1 4Å
738	R	82	Confident	74	Confident	58 Å²	58	58.3 Å²	58.3	22%	0.219	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-45.4	178.3	-174.4	176.7	65	162.9	3.2	111.9	Y605 D606 M734 D735 Q736 G740 Y755	Y605-R738 HydrophobicContact CD1-CG 4.47Å; D606-R738 IonicContact OD1-NH1 2.94Å; D606-R738 PolarHBondContact OD1-NH1 3.31Å; M734-R738 WeakPolarHBondContact O-CB 3.35Å; M734-R738 PolarHBondContact O-N 3.24Å; D735-R738 WeakPolarHBondContact O-CB 3.49Å; D735-R738 PolarHBondContact O-N 3.04Å; D735-R738 IonicContact OD1-CZ 3.84Å; D735-R738 IonicContact OD1-NE 3.09Å; D735-R738 PolarHBondContact OD1-NE 3.3Å; D735-R738 IonicContact OD1-NH2 3.93Å; D735-R738 PolarHBondContact OD1-NH2 2.73Å; Q736-R738 VanDerWaalsContact C-N 3.33Å; Q736-R738 PolarHBondContact O-N 3.27Å; R738-G740 VanDerWaalsContact C-N 3.29Å; R738-G740 PolarHBondContact O-N 3.33Å; R738-Y755 HydrophobicContact CB-CD2 4.4Å; R738-Y755 HydrophobicContact CB-CE2 3.68Å; R738-Y755 HydrophobicContact CG-CE2 4.4Å
739	Q	75.1	Confident	73.1	Confident	130 Å²	130	63 Å²	63	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-65	-36.1	177.1	-64.9	-178.7	26.9	0	0	111.8	D735 Q736 L737	D735-Q739 WeakPolarHBondContact O-CG 3.49Å; D735-Q739 PolarHBondContact O-N 2.86Å; D735-Q739 PolarHBondContact OD2-NE2 3.42Å; Q736-Q739 PolarHBondContact O-N 3.13Å; L737-Q739 PolarHBondContact O-N 2.88Å
740	G	68.6	Low	72.8	Confident	4 Å²	4	66.7 Å²	66.7	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-82.1	-25.8	-175.6	0	0	0	0	0	115.9	R333 Q736 L737 R738 H742 L743	R333-G740 PolarHBondContact NH2-O 3.43Å; Q736-G740 PolarHBondContact O-N 3.39Å; L737-G740 PolarHBondContact O-N 3.4Å; L737-G740 VanDerWaalsContact O-N 3.14Å; R738-G740 VanDerWaalsContact C-N 3.29Å; R738-G740 PolarHBondContact O-N 3.33Å; G740-H742 VanDerWaalsContact C-N 3.31Å; G740-H742 PolarHBondContact O-N 2.88Å; G740-L743 PolarHBondContact O-N 3.11Å
741	I	70.5	Confident	72.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-26.3	-169.5	-156.7	126.6	0	0	0	113.2	Y605 L737 L743 R744 P751 D754 Y755	Y605-I741 HydrophobicContact CE1-CG2 4.12Å; L737-I741 HydrophobicContact CD1-CD1 3.97Å; L737-I741 HydrophobicContact CG-CD1 4.45Å; L737-I741 WeakPolarHBondContact O-CB 3.42Å; L737-I741 PolarHBondContact O-N 3.43Å; I741-L743 PolarHBondContact O-N 3.3Å; I741-R744 WeakPolarHBondContact O-CB 3.42Å; I741-R744 PolarHBondContact O-N 3.49Å; I741-P751 HydrophobicContact CG1-CB 4.25Å; I741-P751 HydrophobicContact CG2-CB 4.28Å; I741-D754 HydrophobicContact CD1-CB 4.03Å; I741-Y755 HydrophobicContact CD1-CD2 4.47Å; I741-Y755 VanDerWaalsContact CD1-N 3.32Å
742	H	64.6	Low	72.3	Confident	104 Å²	104	68.1 Å²	68.1	48%	0.481	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-61.7	-28.8	178.2	-69	-57.3	0	0	0	113.1	G740 R744 S745	G740-H742 VanDerWaalsContact C-N 3.31Å; G740-H742 PolarHBondContact O-N 2.88Å; H742-R744 PolarHBondContact O-N 3.2Å; H742-S745 VanDerWaalsContact O-CB 3.32Å; H742-S745 WeakPolarHBondContact O-CB 3.37Å; H742-S745 PolarHBondContact O-N 2.76Å; H742-S745 PolarHBondContact O-OG 3.3Å
743	L	59	Low	72.5	Confident	109 Å²	109	73.6 Å²	73.6	57%	0.571	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-66.3	-19.8	174.8	-67.5	170.6	0	0	0	112.6	G740 I741 Y746	G740-L743 PolarHBondContact O-N 3.11Å; I741-L743 PolarHBondContact O-N 3.3Å; L743-Y746 VanDerWaalsContact O-CD2 3.29Å; L743-Y746 WeakPolarHBondContact O-CD2 3.28Å
744	R	56	Low	72.4	Confident	88 Å²	88	73.5 Å²	73.5	33%	0.332	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-83.9	-12.2	177.2	-53.4	-172.3	-151.6	171.9	9.3	113.1	I741 H742 Y746 A747 E758	I741-R744 WeakPolarHBondContact O-CB 3.42Å; I741-R744 PolarHBondContact O-N 3.49Å; H742-R744 PolarHBondContact O-N 3.2Å; R744-Y746 PolarHBondContact O-N 2.94Å; R744-A747 WeakPolarHBondContact O-CB 3.33Å; R744-A747 PolarHBondContact O-N 3.18Å; R744-E758 IonicContact CZ-OE1 2.61Å; R744-E758 IonicContact CZ-OE2 2.79Å; R744-E758 IonicContact NH1-OE1 3.36Å; R744-E758 IonicContact NH1-OE2 3.02Å; R744-E758 PolarHBondContact NH1-OE2 3.33Å; R744-E758 VanDerWaalsContact NH2-CD 3.32Å; R744-E758 IonicContact NH2-OE1 3.68Å; R744-E758 PolarHBondContact NH2-OE1 3.41Å; R744-E758 IonicContact NH2-OE2 3.54Å; R744-E758 PolarHBondContact NH2-OE2 3.05Å
745	S	53.7	Low	72.5	Confident	60 Å²	60	73.5 Å²	73.5	42%	0.42	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.8	-18.7	178.4	66.5	0	0	0	0	114.2	H742 A747 Q748	H742-S745 VanDerWaalsContact O-CB 3.32Å; H742-S745 WeakPolarHBondContact O-CB 3.37Å; H742-S745 PolarHBondContact O-N 2.76Å; H742-S745 PolarHBondContact O-OG 3.3Å; S745-A747 PolarHBondContact O-N 3.47Å; S745-Q748 PolarHBondContact O-N 3.24Å
746	Y	53.4	Low	72.9	Confident	205 Å²	205	75.1 Å²	75.1	80%	0.804	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.5	172.8	-68.8	-71.9	0	0	0	113.7	L743 R744 Q748	L743-Y746 VanDerWaalsContact O-CD2 3.29Å; L743-Y746 WeakPolarHBondContact O-CD2 3.28Å; R744-Y746 PolarHBondContact O-N 2.94Å; Y746-Q748 PolarHBondContact O-N 2.98Å
747	A	55.1	Low	73.4	Confident	65 Å²	65	76 Å²	76	54%	0.537	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-89.4	12.8	-178.4	0	0	0	0	0	115.1	R744 S745 Q749	R744-A747 WeakPolarHBondContact O-CB 3.33Å; R744-A747 PolarHBondContact O-N 3.18Å; S745-A747 PolarHBondContact O-N 3.47Å; A747-Q749 PolarHBondContact O-N 3.43Å
748	Q	63	Low	73.6	Confident	196 Å²	196	78 Å²	78	92%	0.916	38%	0.375	S	S	*	.	S	Bend	trans	61.9	13.8	-176.1	-54.3	-178.2	-8.1	0	0	115.3	S745 Y746	S745-Q748 PolarHBondContact O-N 3.24Å; Y746-Q748 PolarHBondContact O-N 2.98Å
749	Q	68.9	Low	74.1	Confident	102 Å²	102	75.2 Å²	75.2	48%	0.477	37%	0.365	S	S	.	.			trans	-87.3	155.8	173.6	-65.7	179.3	-22.1	0	0	111.2	A747 P751 D754	A747-Q749 PolarHBondContact O-N 3.43Å; Q749-P751 VanDerWaalsContact O-CD 3.24Å; Q749-P751 WeakPolarHBondContact O-CD 3.43Å; Q749-D754 VanDerWaalsContact CB-OD2 3.3Å; Q749-D754 WeakPolarHBondContact CB-OD2 3.3Å; Q749-D754 PolarHBondContact OE1-OD2 3Å
750	N	80.3	Confident	75	Confident	94 Å²	94	74.2 Å²	74.2	50%	0.503	36%	0.36	S	S	.	.			trans	-82.3	109.1	175.6	-177.9	-10.6	0	0	0	109	L752 R753 D754	N750-L752 PolarHBondContact O-N 3.3Å; N750-L752 VanDerWaalsContact O-N 3.1Å; N750-L752 PolarHBondContact OD1-N 2.5Å; N750-L752 VanDerWaalsContact OD1-N 3.15Å; N750-R753 HydrophobicContact CB-CB 4.24Å; N750-R753 PolarHBondContact O-N 2.96Å; N750-D754 PolarHBondContact O-N 2.86Å
751	P	81.6	Confident	76.2	Confident	23 Å²	23	80 Å²	80	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-60.9	-27.8	-173.5	-21.1	33.7	0	0	0	113.5	I741 Q749 Y755	I741-P751 HydrophobicContact CG1-CB 4.25Å; I741-P751 HydrophobicContact CG2-CB 4.28Å; Q749-P751 VanDerWaalsContact O-CD 3.24Å; Q749-P751 WeakPolarHBondContact O-CD 3.43Å; P751-Y755 VanDerWaalsContact O-CB 3.29Å; P751-Y755 WeakPolarHBondContact O-CB 3.43Å; P751-Y755 PolarHBondContact O-N 3.08Å
752	L	87	Confident	77.2	Confident	21 Å²	21	82.3 Å²	82.3	11%	0.11	40%	0.398	C	S	.	.	H	α-helix	trans	-67.8	-40.5	176.5	175.7	65.8	0	0	0	111.8	E604 Y605 N750 D754 Y755 Q756	E604-L752 HydrophobicContact CB-CD1 3.91Å; E604-L752 HydrophobicContact CB-CD2 3.64Å; E604-L752 HydrophobicContact CB-CG 4.43Å; E604-L752 HydrophobicContact CG-CD2 4.22Å; Y605-L752 HydrophobicContact CD1-CD1 3.92Å; Y605-L752 HydrophobicContact CD2-CD1 4.14Å; Y605-L752 HydrophobicContact CE1-CB 4.27Å; Y605-L752 HydrophobicContact CE1-CD1 3.99Å; Y605-L752 HydrophobicContact CE2-CB 4.45Å; Y605-L752 HydrophobicContact CE2-CD1 4.18Å; Y605-L752 HydrophobicContact CG-CD1 3.97Å; Y605-L752 PolarHBondContact OH-N 2.93Å; N750-L752 PolarHBondContact O-N 3.3Å; N750-L752 VanDerWaalsContact O-N 3.1Å; N750-L752 PolarHBondContact OD1-N 2.5Å; N750-L752 VanDerWaalsContact OD1-N 3.15Å; L752-D754 VanDerWaalsContact C-N 3.33Å; L752-Y755 WeakPolarHBondContact O-CB 3.34Å; L752-Y755 PolarHBondContact O-N 3.33Å; L752-Q756 WeakPolarHBondContact O-CB 3.33Å; L752-Q756 VanDerWaalsContact O-CG 3.28Å; L752-Q756 WeakPolarHBondContact O-CG 3.41Å; L752-Q756 PolarHBondContact O-N 3.43Å
753	R	87.3	Confident	78.7	Confident	135 Å²	135	78.2 Å²	78.2	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-67.8	-40.7	179.3	-172.4	-177	69.4	166.8	3.8	110.5	N750 Y755 Q756 N757	N750-R753 HydrophobicContact CB-CB 4.24Å; N750-R753 PolarHBondContact O-N 2.96Å; R753-Y755 VanDerWaalsContact C-N 3.32Å; R753-Q756 WeakPolarHBondContact O-CB 3.48Å; R753-Q756 PolarHBondContact O-N 2.81Å; R753-N757 VanDerWaalsContact O-CG 3.28Å; R753-N757 PolarHBondContact O-N 3.46Å
754	D	84.1	Confident	80.4	Confident	20 Å²	20	76 Å²	76	11%	0.107	37%	0.368	C	S	.	.	H	α-helix	trans	-66.2	-40.1	177.9	-55.6	-23	0	0	0	110.1	I741 Q749 N750 L752 Q756 N757 E758	I741-D754 HydrophobicContact CD1-CB 4.03Å; Q749-D754 VanDerWaalsContact CB-OD2 3.3Å; Q749-D754 WeakPolarHBondContact CB-OD2 3.3Å; Q749-D754 PolarHBondContact OE1-OD2 3Å; N750-D754 PolarHBondContact O-N 2.86Å; L752-D754 VanDerWaalsContact C-N 3.33Å; D754-Q756 VanDerWaalsContact C-N 3.34Å; D754-Q756 PolarHBondContact O-N 2.87Å; D754-N757 PolarHBondContact O-N 3.31Å; D754-E758 WeakPolarHBondContact O-CB 3.19Å; D754-E758 PolarHBondContact O-N 3.12Å
755	Y	87.8	Confident	82.1	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-60.5	-41.4	172.7	-178.4	-97.7	0	0	0	112.6	Y605 V608 M734 L737 R738 I741 P751 L752 R753 G759	Y605-Y755 AromaticContact CD1-CD1 3.49Å; Y605-Y755 HydrophobicContact CD1-CD1 3.49Å; Y605-Y755 VanDerWaalsContact CD1-CD1 3.49Å; Y605-Y755 AromaticContact CD1-CD2 3.97Å; Y605-Y755 HydrophobicContact CD1-CD2 3.97Å; Y605-Y755 AromaticContact CD1-CE1 3.91Å; Y605-Y755 HydrophobicContact CD1-CE1 3.91Å; Y605-Y755 HydrophobicContact CD1-CE2 4.4Å; Y605-Y755 AromaticContact CD1-CG 3.5Å; Y605-Y755 HydrophobicContact CD1-CG 3.5Å; Y605-Y755 HydrophobicContact CE1-CD1 4.23Å; Y605-Y755 HydrophobicContact CE1-CD2 4.38Å; Y605-Y755 AromaticContact CE1-CG 3.88Å; Y605-Y755 HydrophobicContact CE1-CG 3.88Å; Y605-Y755 HydrophobicContact CG-CD1 4.38Å; Y605-Y755 WeakPolarHBondContact O-CE1 3.45Å; V608-Y755 HydrophobicContact CB-CD1 4.33Å; V608-Y755 HydrophobicContact CB-CE1 3.88Å; V608-Y755 HydrophobicContact CG1-CE1 4.28Å; V608-Y755 HydrophobicContact CG2-CD1 3.96Å; V608-Y755 HydrophobicContact CG2-CE1 3.96Å; M734-Y755 HydrophobicContact CE-CE1 3.85Å; M734-Y755 HydrophobicContact CE-CE2 4.1Å; M734-Y755 WeakPolarHBondContact CE-OH 3.35Å; L737-Y755 HydrophobicContact CB-CE2 4.29Å; L737-Y755 HydrophobicContact CD2-CD2 3.82Å; L737-Y755 HydrophobicContact CD2-CE2 4.01Å; L737-Y755 HydrophobicContact CG-CD2 3.76Å; L737-Y755 HydrophobicContact CG-CE2 3.98Å; R738-Y755 HydrophobicContact CB-CD2 4.4Å; R738-Y755 HydrophobicContact CB-CE2 3.68Å; R738-Y755 HydrophobicContact CG-CE2 4.4Å; I741-Y755 HydrophobicContact CD1-CD2 4.47Å; I741-Y755 VanDerWaalsContact CD1-N 3.32Å; P751-Y755 VanDerWaalsContact O-CB 3.29Å; P751-Y755 WeakPolarHBondContact O-CB 3.43Å; P751-Y755 PolarHBondContact O-N 3.08Å; L752-Y755 WeakPolarHBondContact O-CB 3.34Å; L752-Y755 PolarHBondContact O-N 3.33Å; R753-Y755 VanDerWaalsContact C-N 3.32Å; Y755-G759 WeakPolarHBondContact O-CA 3.47Å; Y755-G759 PolarHBondContact O-N 3.38Å
756	Q	91.7	Very high	84.1	Confident	83 Å²	83	73.6 Å²	73.6	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176.8	-78.3	170.8	-13.6	0	0	112.3	V608 L752 R753 D754 H760	V608-Q756 HydrophobicContact CG2-CG 3.51Å; L752-Q756 WeakPolarHBondContact O-CB 3.33Å; L752-Q756 VanDerWaalsContact O-CG 3.28Å; L752-Q756 WeakPolarHBondContact O-CG 3.41Å; L752-Q756 PolarHBondContact O-N 3.43Å; R753-Q756 WeakPolarHBondContact O-CB 3.48Å; R753-Q756 PolarHBondContact O-N 2.81Å; D754-Q756 VanDerWaalsContact C-N 3.34Å; D754-Q756 PolarHBondContact O-N 2.87Å; Q756-H760 WeakPolarHBondContact O-CB 3.35Å; Q756-H760 PolarHBondContact O-N 3.34Å
757	N	89.9	Confident	86.2	Confident	85 Å²	85	66.2 Å²	66.2	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-52.4	-178.8	-68.3	-10.5	0	0	0	111.2	R753 D754 G759 H760 E761	R753-N757 VanDerWaalsContact O-CG 3.28Å; R753-N757 PolarHBondContact O-N 3.46Å; D754-N757 PolarHBondContact O-N 3.31Å; N757-G759 VanDerWaalsContact C-N 3.31Å; N757-G759 PolarHBondContact O-N 2.84Å; N757-H760 WeakPolarHBondContact O-CB 3.24Å; N757-H760 PolarHBondContact O-N 3.36Å; N757-H760 VanDerWaalsContact O-N 3.13Å; N757-E761 WeakPolarHBondContact O-CG 3.07Å; N757-E761 PolarHBondContact O-N 3.21Å
758	E	87.1	Confident	88.1	Confident	55 Å²	55	66.5 Å²	66.5	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-38	179.5	-171.6	170.4	175	0	0	110.7	L737 R744 D754 H760 E761 L762	L737-E758 HydrophobicContact CD1-CG 4.06Å; L737-E758 WeakPolarHBondContact CD1-OE1 3.5Å; L737-E758 WeakPolarHBondContact CD1-OE2 3.34Å; L737-E758 HydrophobicContact CD2-CB 4.06Å; L737-E758 HydrophobicContact CD2-CG 3.92Å; R744-E758 IonicContact CZ-OE1 2.61Å; R744-E758 IonicContact CZ-OE2 2.79Å; R744-E758 IonicContact NH1-OE1 3.36Å; R744-E758 IonicContact NH1-OE2 3.02Å; R744-E758 PolarHBondContact NH1-OE2 3.33Å; R744-E758 VanDerWaalsContact NH2-CD 3.32Å; R744-E758 IonicContact NH2-OE1 3.68Å; R744-E758 PolarHBondContact NH2-OE1 3.41Å; R744-E758 IonicContact NH2-OE2 3.54Å; R744-E758 PolarHBondContact NH2-OE2 3.05Å; D754-E758 WeakPolarHBondContact O-CB 3.19Å; D754-E758 PolarHBondContact O-N 3.12Å; E758-H760 VanDerWaalsContact C-N 3.31Å; E758-H760 PolarHBondContact O-N 3.14Å; E758-E761 PolarHBondContact O-N 2.66Å; E758-L762 HydrophobicContact CG-CD1 4.39Å; E758-L762 WeakPolarHBondContact O-CB 3.42Å; E758-L762 VanDerWaalsContact O-CG 3.23Å; E758-L762 WeakPolarHBondContact O-CG 3.41Å; E758-L762 PolarHBondContact O-N 3.47Å
759	G	91.9	Very high	89.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-29.9	174	0	0	0	0	0	114.1	Q612 M734 Y755 N757 F763	Q612-G759 PolarHBondContact NE2-O 2.94Å; M734-G759 VanDerWaalsContact SD-CA 3.55Å; Y755-G759 WeakPolarHBondContact O-CA 3.47Å; Y755-G759 PolarHBondContact O-N 3.38Å; N757-G759 VanDerWaalsContact C-N 3.31Å; N757-G759 PolarHBondContact O-N 2.84Å; G759-F763 VanDerWaalsContact O-CB 3.32Å; G759-F763 WeakPolarHBondContact O-CB 3.28Å; G759-F763 PolarHBondContact O-N 3.44Å; G759-F763 VanDerWaalsContact O-N 3.15Å
760	H	94.5	Very high	90.8	Very high	110 Å²	110	54.4 Å²	54.4	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-72.4	-46.5	172.7	-174	-69.6	0	0	0	111.1	Q756 N757 E758 L762 F763 D764	Q756-H760 WeakPolarHBondContact O-CB 3.35Å; Q756-H760 PolarHBondContact O-N 3.34Å; N757-H760 WeakPolarHBondContact O-CB 3.24Å; N757-H760 PolarHBondContact O-N 3.36Å; N757-H760 VanDerWaalsContact O-N 3.13Å; E758-H760 VanDerWaalsContact C-N 3.31Å; E758-H760 PolarHBondContact O-N 3.14Å; H760-L762 VanDerWaalsContact C-N 3.34Å; H760-L762 PolarHBondContact O-N 3.31Å; H760-F763 PolarHBondContact O-N 3.37Å; H760-F763 VanDerWaalsContact O-N 3.14Å; H760-D764 IonicContact CE1-OD1 2.96Å; H760-D764 PolarHBondContact CE1-OD1 3.05Å; H760-D764 IonicContact CE1-OD2 2.68Å; H760-D764 PolarHBondContact CE1-OD2 3.33Å; H760-D764 IonicContact ND1-OD1 2.65Å; H760-D764 IonicContact ND1-OD2 3.9Å; H760-D764 PolarHBondContact ND1-OD2 3.2Å; H760-D764 PolarHBondContact O-N 2.94Å
761	E	92.1	Very high	91.5	Very high	125 Å²	125	51.5 Å²	51.5	58%	0.584	25%	0.248	S	C	*	.	H	α-helix	trans	-58.4	-45.7	176.3	-69.9	171.6	-171.4	0	0	111.3	N757 E758 F763 D764 I765	N757-E761 WeakPolarHBondContact O-CG 3.07Å; N757-E761 PolarHBondContact O-N 3.21Å; E758-E761 PolarHBondContact O-N 2.66Å; E761-F763 VanDerWaalsContact C-N 3.31Å; E761-F763 PolarHBondContact O-N 2.91Å; E761-D764 PolarHBondContact O-N 3.41Å; E761-I765 VanDerWaalsContact O-CG1 3.28Å; E761-I765 WeakPolarHBondContact O-CG1 3.32Å; E761-I765 PolarHBondContact O-N 3.13Å
762	L	91.8	Very high	92.1	Very high	48 Å²	48	52.4 Å²	52.4	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-39.3	175.2	-72.2	171.8	0	0	0	112.4	T733 M734 L737 E758 H760 I765 M766	T733-L762 HydrophobicContact CG2-CD1 3.9Å; T733-L762 HydrophobicContact CG2-CD2 4.26Å; M734-L762 HydrophobicContact SD-CD1 4.16Å; L737-L762 HydrophobicContact CD2-CD1 4Å; E758-L762 HydrophobicContact CG-CD1 4.39Å; E758-L762 WeakPolarHBondContact O-CB 3.42Å; E758-L762 VanDerWaalsContact O-CG 3.23Å; E758-L762 WeakPolarHBondContact O-CG 3.41Å; E758-L762 PolarHBondContact O-N 3.47Å; H760-L762 VanDerWaalsContact C-N 3.34Å; H760-L762 PolarHBondContact O-N 3.31Å; L762-I765 PolarHBondContact O-N 2.96Å; L762-M766 WeakPolarHBondContact O-CB 3.25Å; L762-M766 PolarHBondContact O-N 3.22Å
763	F	95.8	Very high	92.4	Very high	18 Å²	18	53.7 Å²	53.7	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-41	178.4	-177	-103.2	0	0	0	112.2	Q612 I615 I616 W727 H730 G759 H760 E761 I765 M766 M767	Q612-F763 HydrophobicContact CB-CD2 3.67Å; Q612-F763 HydrophobicContact CB-CE2 3.56Å; Q612-F763 HydrophobicContact CB-CG 4.4Å; Q612-F763 HydrophobicContact CB-CZ 4.22Å; Q612-F763 HydrophobicContact CG-CB 4.26Å; Q612-F763 HydrophobicContact CG-CD1 4.25Å; Q612-F763 HydrophobicContact CG-CD2 3.51Å; Q612-F763 HydrophobicContact CG-CE2 3.82Å; Q612-F763 HydrophobicContact CG-CG 3.74Å; Q612-F763 HydrophobicContact CG-CZ 4.31Å; I615-F763 HydrophobicContact CB-CZ 4.23Å; I615-F763 HydrophobicContact CD1-CE1 4.1Å; I615-F763 HydrophobicContact CD1-CZ 4.15Å; I615-F763 HydrophobicContact CG2-CZ 4.16Å; I616-F763 HydrophobicContact CD1-CE2 4.14Å; I616-F763 HydrophobicContact CD1-CZ 4.36Å; I616-F763 HydrophobicContact CG1-CE2 3.94Å; I616-F763 HydrophobicContact CG1-CZ 4.35Å; W727-F763 HydrophobicContact CZ3-CE2 4.41Å; H730-F763 AromaticContact NE2-CD2 3.97Å; G759-F763 VanDerWaalsContact O-CB 3.32Å; G759-F763 WeakPolarHBondContact O-CB 3.28Å; G759-F763 PolarHBondContact O-N 3.44Å; G759-F763 VanDerWaalsContact O-N 3.15Å; H760-F763 PolarHBondContact O-N 3.37Å; H760-F763 VanDerWaalsContact O-N 3.14Å; E761-F763 VanDerWaalsContact C-N 3.31Å; E761-F763 PolarHBondContact O-N 2.91Å; F763-I765 VanDerWaalsContact C-N 3.33Å; F763-I765 PolarHBondContact O-N 3.4Å; F763-M766 HydrophobicContact CD2-CE 3.5Å; F763-M766 HydrophobicContact CE2-CE 3.43Å; F763-M766 VanDerWaalsContact CE2-CE 3.43Å; F763-M766 HydrophobicContact CG-CE 4.48Å; F763-M766 HydrophobicContact CZ-CE 4.35Å; F763-M766 PolarHBondContact O-N 2.95Å; F763-M767 HydrophobicContact CD1-CG 4.25Å; F763-M767 HydrophobicContact CE1-CG 3.92Å; F763-M767 HydrophobicContact CE1-SD 4.42Å; F763-M767 HydrophobicContact CE2-SD 4.39Å; F763-M767 HydrophobicContact CZ-CG 4.05Å; F763-M767 HydrophobicContact CZ-SD 4Å; F763-M767 WeakPolarHBondContact O-CG 3.41Å; F763-M767 PolarHBondContact O-N 2.99Å
764	D	95.3	Very high	92.7	Very high	63 Å²	63	47.3 Å²	47.3	34%	0.337	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-42	175.3	-67.6	-25.4	0	0	0	111.1	H760 E761 M767 Q768	H760-D764 IonicContact CE1-OD1 2.96Å; H760-D764 PolarHBondContact CE1-OD1 3.05Å; H760-D764 IonicContact CE1-OD2 2.68Å; H760-D764 PolarHBondContact CE1-OD2 3.33Å; H760-D764 IonicContact ND1-OD1 2.65Å; H760-D764 IonicContact ND1-OD2 3.9Å; H760-D764 PolarHBondContact ND1-OD2 3.2Å; H760-D764 PolarHBondContact O-N 2.94Å; E761-D764 PolarHBondContact O-N 3.41Å; D764-M767 PolarHBondContact O-N 3.35Å; D764-Q768 VanDerWaalsContact O-CG 3.23Å; D764-Q768 WeakPolarHBondContact O-CG 3.4Å; D764-Q768 PolarHBondContact O-N 3.33Å
765	I	93	Very high	93.2	Very high	88 Å²	88	46.3 Å²	46.3	45%	0.451	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-47.1	174.5	-68.4	164.5	0	0	0	110.4	E761 L762 F763 M767 Q768 N769	E761-I765 VanDerWaalsContact O-CG1 3.28Å; E761-I765 WeakPolarHBondContact O-CG1 3.32Å; E761-I765 PolarHBondContact O-N 3.13Å; L762-I765 PolarHBondContact O-N 2.96Å; F763-I765 VanDerWaalsContact C-N 3.33Å; F763-I765 PolarHBondContact O-N 3.4Å; I765-M767 VanDerWaalsContact C-N 3.34Å; I765-M767 PolarHBondContact O-N 3.29Å; I765-Q768 PolarHBondContact O-N 3.32Å; I765-N769 VanDerWaalsContact O-CG 3.25Å; I765-N769 PolarHBondContact O-N 3.01Å; I765-N769 PolarHBondContact O-OD1 3.35Å
766	M	95.1	Very high	93.5	Very high	9 Å²	9	47 Å²	47	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-44.9	177.6	-177.7	-155.6	69.7	0	0	111.6	I616 H726 W727 H730 L762 F763 Q768 N769 I770	I616-M766 HydrophobicContact CD1-CE 3.64Å; I616-M766 HydrophobicContact CG1-CE 4.15Å; H726-M766 HydrophobicContact CB-CG 3.81Å; W727-M766 HydrophobicContact CE3-CE 4.11Å; W727-M766 HydrophobicContact CE3-SD 3.81Å; H730-M766 HydrophobicContact CB-CG 4.02Å; H730-M766 HydrophobicContact CB-SD 3.25Å; H730-M766 WeakPolarHBondContact CB-SD 3.47Å; H730-M766 VanDerWaalsContact CG-SD 3.51Å; L762-M766 WeakPolarHBondContact O-CB 3.25Å; L762-M766 PolarHBondContact O-N 3.22Å; F763-M766 HydrophobicContact CD2-CE 3.5Å; F763-M766 HydrophobicContact CE2-CE 3.43Å; F763-M766 VanDerWaalsContact CE2-CE 3.43Å; F763-M766 HydrophobicContact CG-CE 4.48Å; F763-M766 HydrophobicContact CZ-CE 4.35Å; F763-M766 PolarHBondContact O-N 2.95Å; M766-Q768 VanDerWaalsContact C-N 3.32Å; M766-Q768 PolarHBondContact O-N 3.49Å; M766-N769 PolarHBondContact O-N 3.4Å; M766-I770 HydrophobicContact CE-CD1 4.06Å; M766-I770 HydrophobicContact CG-CD1 4.24Å; M766-I770 WeakPolarHBondContact O-CG1 3.26Å; M766-I770 PolarHBondContact O-N 3.03Å
767	M	96.3	Very high	93.4	Very high	50 Å²	50	43.8 Å²	43.8	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-41.9	176.8	-71.3	-57.1	-56.8	0	0	111.7	I616 F763 D764 I765 I770 E771	I616-M767 HydrophobicContact CD1-SD 3.58Å; I616-M767 VanDerWaalsContact CD1-SD 3.58Å; F763-M767 HydrophobicContact CD1-CG 4.25Å; F763-M767 HydrophobicContact CE1-CG 3.92Å; F763-M767 HydrophobicContact CE1-SD 4.42Å; F763-M767 HydrophobicContact CE2-SD 4.39Å; F763-M767 HydrophobicContact CZ-CG 4.05Å; F763-M767 HydrophobicContact CZ-SD 4Å; F763-M767 WeakPolarHBondContact O-CG 3.41Å; F763-M767 PolarHBondContact O-N 2.99Å; D764-M767 PolarHBondContact O-N 3.35Å; I765-M767 VanDerWaalsContact C-N 3.34Å; I765-M767 PolarHBondContact O-N 3.29Å; M767-I770 PolarHBondContact O-N 3.28Å; M767-I770 HydrophobicContact SD-CD1 4.28Å; M767-E771 WeakPolarHBondContact O-CG 3.25Å; M767-E771 PolarHBondContact O-N 2.99Å; M767-E771 VanDerWaalsContact O-N 3.09Å
768	Q	95.1	Very high	93.6	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-63.9	-41.7	176.3	-68	171.2	36.7	0	0	111.8	D764 I765 M766 I770 E771 E772	D764-Q768 VanDerWaalsContact O-CG 3.23Å; D764-Q768 WeakPolarHBondContact O-CG 3.4Å; D764-Q768 PolarHBondContact O-N 3.33Å; I765-Q768 PolarHBondContact O-N 3.32Å; M766-Q768 VanDerWaalsContact C-N 3.32Å; M766-Q768 PolarHBondContact O-N 3.49Å; Q768-I770 VanDerWaalsContact C-N 3.32Å; Q768-I770 PolarHBondContact O-N 3.26Å; Q768-E771 PolarHBondContact O-N 2.63Å; Q768-E772 WeakPolarHBondContact O-CG 3.35Å; Q768-E772 PolarHBondContact O-N 3.36Å
769	N	93.1	Very high	93.8	Very high	43 Å²	43	37.8 Å²	37.8	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-38	176.2	-65.8	-13.1	0	0	0	111.7	I765 M766 E771 E772 D773	I765-N769 VanDerWaalsContact O-CG 3.25Å; I765-N769 PolarHBondContact O-N 3.01Å; I765-N769 PolarHBondContact O-OD1 3.35Å; M766-N769 PolarHBondContact O-N 3.4Å; N769-E771 VanDerWaalsContact C-N 3.34Å; N769-E772 PolarHBondContact O-N 2.98Å; N769-D773 WeakPolarHBondContact O-CB 3.23Å; N769-D773 PolarHBondContact O-N 3.16Å
770	I	95.3	Very high	93.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-46.5	174.7	-71.6	166	0	0	0	110.5	I616 M636 S722 I723 H726 M766 M767 Q768 T774	I616-I770 HydrophobicContact CD1-CD1 4.4Å; M636-I770 HydrophobicContact CE-CG2 4.34Å; S722-I770 WeakPolarHBondContact OG-CA 3.46Å; S722-I770 PolarHBondContact OG-O 3.1Å; I723-I770 HydrophobicContact CG1-CD1 4.4Å; I723-I770 HydrophobicContact CG1-CG2 3.78Å; H726-I770 HydrophobicContact CB-CD1 4.05Å; H726-I770 HydrophobicContact CB-CG1 3.58Å; M766-I770 HydrophobicContact CE-CD1 4.06Å; M766-I770 HydrophobicContact CG-CD1 4.24Å; M766-I770 WeakPolarHBondContact O-CG1 3.26Å; M766-I770 PolarHBondContact O-N 3.03Å; M767-I770 PolarHBondContact O-N 3.28Å; M767-I770 HydrophobicContact SD-CD1 4.28Å; Q768-I770 VanDerWaalsContact C-N 3.32Å; Q768-I770 PolarHBondContact O-N 3.26Å; I770-T774 VanDerWaalsContact O-CB 3.27Å; I770-T774 WeakPolarHBondContact O-CB 3.4Å; I770-T774 PolarHBondContact O-N 3.09Å; I770-T774 PolarHBondContact O-OG1 3.4Å
771	E	96.1	Very high	93.1	Very high	33 Å²	33	34.3 Å²	34.3	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-47.7	177.6	-63.7	-177.6	155.3	0	0	111.1	M636 S639 T640 R643 M767 Q768 N769 T774 C775	M636-E771 HydrophobicContact CB-CB 4.24Å; M636-E771 HydrophobicContact CB-CG 4.13Å; M636-E771 HydrophobicContact CG-CB 4.43Å; M636-E771 HydrophobicContact CG-CG 3.89Å; M636-E771 HydrophobicContact SD-CG 4.24Å; S639-E771 PolarHBondContact OG-OE1 3.48Å; S639-E771 PolarHBondContact OG-OE2 3.07Å; S639-E771 VanDerWaalsContact OG-OE2 3.08Å; T640-E771 VanDerWaalsContact OG1-CB 3.32Å; T640-E771 WeakPolarHBondContact OG1-CB 3.32Å; T640-E771 PolarHBondContact OG1-OE2 2.87Å; R643-E771 IonicContact CZ-OE2 3.36Å; R643-E771 IonicContact NH1-OE2 3.24Å; R643-E771 PolarHBondContact NH1-OE2 3.24Å; R643-E771 IonicContact NH2-OE2 3.67Å; R643-E771 PolarHBondContact NH2-OE2 3.12Å; M767-E771 WeakPolarHBondContact O-CG 3.25Å; M767-E771 PolarHBondContact O-N 2.99Å; M767-E771 VanDerWaalsContact O-N 3.09Å; Q768-E771 PolarHBondContact O-N 2.63Å; N769-E771 VanDerWaalsContact C-N 3.34Å; E771-T774 WeakPolarHBondContact O-CB 3.5Å; E771-T774 PolarHBondContact O-N 3Å; E771-C775 PolarHBondContact O-N 3.5Å; E771-C775 PolarHBondContact O-SG 2.82Å
772	E	94.3	Very high	92	Very high	42 Å²	42	32.6 Å²	32.6	20%	0.196	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-47.7	-179.6	-76.1	-173.4	179.1	0	0	112.3	T640 Y664 I668 Q768 N769 T774 C775 K776	T640-E772 HydrophobicContact CG2-CG 3.79Å; Y664-E772 VanDerWaalsContact OH-CD 3.24Å; Y664-E772 PolarHBondContact OH-OE1 2.93Å; I668-E772 HydrophobicContact CD1-CB 4.49Å; Q768-E772 WeakPolarHBondContact O-CG 3.35Å; Q768-E772 PolarHBondContact O-N 3.36Å; N769-E772 PolarHBondContact O-N 2.98Å; E772-T774 VanDerWaalsContact C-N 3.3Å; E772-T774 PolarHBondContact O-N 3.48Å; E772-C775 PolarHBondContact O-N 3.49Å; E772-K776 VanDerWaalsContact O-CB 3.27Å; E772-K776 WeakPolarHBondContact O-CB 3.48Å; E772-K776 PolarHBondContact O-N 3.41Å
773	D	92.1	Very high	90.6	Very high	48 Å²	48	31.1 Å²	31.1	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-63.6	-39.5	176.8	-85.5	-0.4	0	0	0	111	H726 N769 K776 F777	H726-D773 IonicContact CD2-OD2 3.74Å; H726-D773 IonicContact CE1-OD2 2.84Å; H726-D773 PolarHBondContact CE1-OD2 3.38Å; H726-D773 IonicContact NE2-OD2 3.83Å; H726-D773 PolarHBondContact NE2-OD2 3.19Å; N769-D773 WeakPolarHBondContact O-CB 3.23Å; N769-D773 PolarHBondContact O-N 3.16Å; D773-K776 PolarHBondContact O-N 3.21Å; D773-F777 HydrophobicContact CB-CD2 4.06Å; D773-F777 HydrophobicContact CB-CE2 3.91Å; D773-F777 WeakPolarHBondContact O-CB 3.47Å; D773-F777 WeakPolarHBondContact O-CD2 3.49Å; D773-F777 WeakPolarHBondContact O-CG 3.42Å; D773-F777 PolarHBondContact O-N 3.37Å
774	T	94.4	Very high	88.8	Confident	1 Å²	1	35 Å²	35	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-48.9	175.5	-60	0	0	0	0	110.9	M636 I718 L719 I770 E771 E772 K776 I778	M636-T774 HydrophobicContact SD-CG2 3.94Å; I718-T774 HydrophobicContact CG2-CG2 4.29Å; L719-T774 HydrophobicContact CD2-CG2 3.64Å; L719-T774 HydrophobicContact CG-CG2 4.22Å; I770-T774 VanDerWaalsContact O-CB 3.27Å; I770-T774 WeakPolarHBondContact O-CB 3.4Å; I770-T774 PolarHBondContact O-N 3.09Å; I770-T774 PolarHBondContact O-OG1 3.4Å; E771-T774 WeakPolarHBondContact O-CB 3.5Å; E771-T774 PolarHBondContact O-N 3Å; E772-T774 VanDerWaalsContact C-N 3.3Å; E772-T774 PolarHBondContact O-N 3.48Å; T774-K776 VanDerWaalsContact C-N 3.32Å; T774-K776 PolarHBondContact O-N 3.43Å; T774-I778 HydrophobicContact CG2-CD1 3.59Å; T774-I778 HydrophobicContact CG2-CG1 4.34Å; T774-I778 VanDerWaalsContact O-CB 3.26Å; T774-I778 WeakPolarHBondContact O-CB 3.16Å; T774-I778 VanDerWaalsContact O-CG1 3.27Å; T774-I778 WeakPolarHBondContact O-CG1 3.42Å; T774-I778 PolarHBondContact O-N 3.28Å
775	C	95.4	Very high	86.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-47.9	177.4	-64.4	0	0	0	0	110.9	L637 I668 F669 E771 E772 L779	L637-C775 HydrophobicContact CD2-CB 3.87Å; I668-C775 HydrophobicContact CG2-CB 3.84Å; F669-C775 HydrophobicContact CD1-CB 4.15Å; F669-C775 HydrophobicContact CE1-CB 3.78Å; F669-C775 HydrophobicContact CZ-CB 4.45Å; E771-C775 PolarHBondContact O-N 3.5Å; E771-C775 PolarHBondContact O-SG 2.82Å; E772-C775 PolarHBondContact O-N 3.49Å; C775-L779 WeakPolarHBondContact O-CB 3.47Å; C775-L779 WeakPolarHBondContact O-CG 3.41Å; C775-L779 PolarHBondContact O-N 3.11Å; C775-L779 VanDerWaalsContact O-N 3.1Å
776	K	92.4	Very high	84.8	Confident	15 Å²	15	40.7 Å²	40.7	7%	0.065	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-53.9	-178.2	-170.5	172.8	-167.1	154.3	0	112.2	Y285 D667 I668 E772 D773 T774 K780	Y285-K776 VanDerWaalsContact CE1-CE 3.44Å; D667-K776 VanDerWaalsContact O-CE 3.31Å; D667-K776 WeakPolarHBondContact O-CE 3.5Å; D667-K776 IonicContact OD1-NZ 3.56Å; D667-K776 PolarHBondContact OD1-NZ 3.17Å; D667-K776 IonicContact OD2-NZ 2.79Å; D667-K776 PolarHBondContact OD2-NZ 3.24Å; I668-K776 HydrophobicContact CD1-CD 4.27Å; I668-K776 WeakPolarHBondContact O-CA 3.24Å; I668-K776 PolarHBondContact O-N 3.09Å; E772-K776 VanDerWaalsContact O-CB 3.27Å; E772-K776 WeakPolarHBondContact O-CB 3.48Å; E772-K776 PolarHBondContact O-N 3.41Å; D773-K776 PolarHBondContact O-N 3.21Å; T774-K776 VanDerWaalsContact C-N 3.32Å; T774-K776 PolarHBondContact O-N 3.43Å; K776-K780 HydrophobicContact CG-CD 4.22Å; K776-K780 WeakPolarHBondContact O-CB 3.46Å; K776-K780 PolarHBondContact O-N 3.29Å
777	F	91.4	Very high	82.9	Confident	14 Å²	14	43.1 Å²	43.1	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-35.2	-176.9	-67.2	-56.7	0	0	0	112.3	Y285 V290 I718 D773 S781	Y285-F777 WeakPolarHBondContact O-CD1 3.44Å; V290-F777 HydrophobicContact CB-CZ 4.5Å; V290-F777 HydrophobicContact CG1-CZ 4.16Å; V290-F777 HydrophobicContact CG2-CD1 4.44Å; V290-F777 HydrophobicContact CG2-CE1 3.8Å; V290-F777 HydrophobicContact CG2-CE2 4.42Å; V290-F777 HydrophobicContact CG2-CZ 3.8Å; I718-F777 HydrophobicContact CD1-CB 3.78Å; I718-F777 HydrophobicContact CG1-CB 4.29Å; I718-F777 HydrophobicContact CG2-CB 3.73Å; D773-F777 HydrophobicContact CB-CD2 4.06Å; D773-F777 HydrophobicContact CB-CE2 3.91Å; D773-F777 WeakPolarHBondContact O-CB 3.47Å; D773-F777 WeakPolarHBondContact O-CD2 3.49Å; D773-F777 WeakPolarHBondContact O-CG 3.42Å; D773-F777 PolarHBondContact O-N 3.37Å; F777-S781 WeakPolarHBondContact O-CB 3.38Å; F777-S781 PolarHBondContact O-N 2.84Å; F777-S781 PolarHBondContact O-OG 2.92Å
778	I	92.3	Very high	80.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-42.5	177.1	-74.2	179.3	0	0	0	111.7	V633 Y700 M711 F714 I718 T774	V633-I778 HydrophobicContact CB-CD1 4.1Å; V633-I778 HydrophobicContact CG1-CD1 3.42Å; V633-I778 VanDerWaalsContact CG1-CD1 3.42Å; V633-I778 HydrophobicContact CG1-CG2 4.33Å; V633-I778 HydrophobicContact CG2-CD1 3.48Å; V633-I778 VanDerWaalsContact CG2-CD1 3.48Å; Y700-I778 HydrophobicContact CD2-CG2 3.76Å; Y700-I778 HydrophobicContact CE2-CG2 3.64Å; M711-I778 HydrophobicContact CE-CG2 4.46Å; F714-I778 HydrophobicContact CE1-CG1 4.47Å; I718-I778 HydrophobicContact CB-CG1 4.03Å; I718-I778 HydrophobicContact CG1-CG1 4.07Å; I718-I778 HydrophobicContact CG2-CD1 4.45Å; I718-I778 HydrophobicContact CG2-CG1 3.9Å; T774-I778 HydrophobicContact CG2-CD1 3.59Å; T774-I778 HydrophobicContact CG2-CG1 4.34Å; T774-I778 VanDerWaalsContact O-CB 3.26Å; T774-I778 WeakPolarHBondContact O-CB 3.16Å; T774-I778 VanDerWaalsContact O-CG1 3.27Å; T774-I778 WeakPolarHBondContact O-CG1 3.42Å; T774-I778 PolarHBondContact O-N 3.28Å
779	L	92.6	Very high	79	Confident	14 Å²	14	45.3 Å²	45.3	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-84.8	-34.3	-174.1	-66.6	171.4	0	0	0	113.1	L637 F669 I696 A699 Q703 C775	L637-L779 HydrophobicContact CD2-CD1 3.68Å; L637-L779 HydrophobicContact CD2-CG 4.29Å; F669-L779 HydrophobicContact CB-CD1 3.96Å; F669-L779 HydrophobicContact CD1-CD1 3.68Å; F669-L779 HydrophobicContact CG-CD1 4.29Å; F669-L779 WeakPolarHBondContact O-CB 3.41Å; F669-L779 WeakPolarHBondContact O-CD1 3.35Å; I696-L779 HydrophobicContact CG2-CD1 4.16Å; A699-L779 HydrophobicContact CB-CD2 4.12Å; Q703-L779 PolarHBondContact NE2-O 3.47Å; C775-L779 WeakPolarHBondContact O-CB 3.47Å; C775-L779 WeakPolarHBondContact O-CG 3.41Å; C775-L779 PolarHBondContact O-N 3.11Å; C775-L779 VanDerWaalsContact O-N 3.1Å
780	K	88.2	Confident	77.1	Confident	37 Å²	37	49.8 Å²	49.8	16%	0.161	25%	0.254	C	S	.	.	H	α-helix	trans	-102.7	-11.4	-171.1	-60.7	-169.5	163.4	-164.2	0	115.9	N283 Y285 N666 D667 L670 K776 V782	N283-K780 PolarHBondContact ND2-O 3.02Å; Y285-K780 HydrophobicContact CG-CB 4.5Å; N666-K780 WeakPolarHBondContact O-CE 3.49Å; N666-K780 PolarHBondContact O-NZ 3.3Å; D667-K780 WeakPolarHBondContact O-CE 3.49Å; D667-K780 PolarHBondContact O-NZ 3.22Å; L670-K780 WeakPolarHBondContact O-CE 3.49Å; K776-K780 HydrophobicContact CG-CD 4.22Å; K776-K780 WeakPolarHBondContact O-CB 3.46Å; K776-K780 PolarHBondContact O-N 3.29Å; K780-V782 PolarHBondContact O-N 3.02Å
781	S	82.7	Confident	75.2	Confident	1 Å²	1	51 Å²	51	1%	0.007	26%	0.258	C	S	.	.			trans	-64.5	138.2	171.6	-61.3	0	0	0	0	109.5	Y285 Q703 F777	Y285-S781 PolarHBondContact O-OG 3.22Å; Q703-S781 PolarHBondContact NE2-O 2.79Å; F777-S781 WeakPolarHBondContact O-CB 3.38Å; F777-S781 PolarHBondContact O-N 2.84Å; F777-S781 PolarHBondContact O-OG 2.92Å
782	V	69	Low	72.9	Confident	89 Å²	89	57.2 Å²	57.2	54%	0.539	29%	0.288	S	S	.	.			trans	-104.2	87.8	172.2	179.1	0	0	0	0	106.1	N283 D286 K780	N283-V782 PolarHBondContact ND2-N 2.69Å; D286-V782 PolarHBondContact OD1-N 2.9Å; D286-V782 VanDerWaalsContact OD1-N 3.14Å; K780-V782 PolarHBondContact O-N 3.02Å
783	V	63.2	Low	70.4	Confident	17 Å²	17	61.4 Å²	61.4	10%	0.103	31%	0.305	C	S	.	.			trans	-87.9	122.7	179.3	-169.1	0	0	0	0	108.8	L707 F714 D787 I789	L707-V783 HydrophobicContact CD2-CB 3.72Å; L707-V783 HydrophobicContact CD2-CG1 3.67Å; F714-V783 HydrophobicContact CD2-CG2 3.9Å; F714-V783 HydrophobicContact CE2-CG2 3.46Å; F714-V783 VanDerWaalsContact CE2-CG2 3.46Å; F714-V783 HydrophobicContact CZ-CG2 3.82Å; V783-D787 HydrophobicContact CG1-CB 4.28Å; V783-I789 HydrophobicContact CG1-CD1 3.47Å; V783-I789 VanDerWaalsContact CG1-CD1 3.47Å; V783-I789 HydrophobicContact CG1-CG1 3.9Å
784	Q	57.3	Low	68.2	Low	99 Å²	99	62.5 Å²	62.5	46%	0.463	31%	0.314	S	S	.	.			trans	-85.2	143	171.6	-60.7	-174	22.9	0	0	108.8	E786 D787	Q784-E786 PolarHBondContact O-N 2.8Å; Q784-D787 PolarHBondContact N-OD2 2.79Å; Q784-D787 WeakPolarHBondContact O-CB 3.46Å; Q784-D787 PolarHBondContact O-N 2.74Å
785	V	54.5	Low	65.5	Low	96 Å²	96	68.6 Å²	68.6	58%	0.582	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22	177.2	-178	0	0	0	0	112.4
786	E	51	Low	62.8	Low	175 Å²	175	76.8 Å²	76.8	82%	0.818	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.3	176.8	-61.9	-171.7	179.6	0	0	114.2	Q784 N788	Q784-E786 PolarHBondContact O-N 2.8Å; E786-N788 PolarHBondContact O-N 3.23Å
787	D	55.2	Low	60.8	Low	60 Å²	60	78.9 Å²	78.9	32%	0.321	40%	0.399	S	S	.	.	S	Bend	trans	-69	126.2	175.9	-66.7	-38.1	0	0	0	109	V783 Q784 I789	V783-D787 HydrophobicContact CG1-CB 4.28Å; Q784-D787 PolarHBondContact N-OD2 2.79Å; Q784-D787 WeakPolarHBondContact O-CB 3.46Å; Q784-D787 PolarHBondContact O-N 2.74Å; D787-I789 VanDerWaalsContact C-N 3.25Å; D787-I789 PolarHBondContact O-N 3.17Å
788	N	53.5	Low	58.8	Low	140 Å²	140	79.4 Å²	79.4	75%	0.749	41%	0.408	S	S	*	.			trans	-67.1	92.2	167.7	-85.6	-12.5	0	0	0	107.8	E786 E790	E786-N788 PolarHBondContact O-N 3.23Å; N788-E790 PolarHBondContact O-N 3Å
789	I	54.6	Low	56.7	Low	26 Å²	26	83.4 Å²	83.4	13%	0.133	43%	0.427	C	S	.	.			trans	-71.1	62	167.4	-53.3	179.5	0	0	0	107.4	L707 Q710 E713 F714 M717 V783 D787	L707-I789 HydrophobicContact CD2-CD1 3.82Å; Q710-I789 HydrophobicContact CB-CD1 3.92Å; E713-I789 HydrophobicContact CB-CG2 4.28Å; F714-I789 HydrophobicContact CB-CG2 4.38Å; M717-I789 HydrophobicContact CE-CB 4.13Å; M717-I789 HydrophobicContact CE-CG2 3.16Å; V783-I789 HydrophobicContact CG1-CD1 3.47Å; V783-I789 VanDerWaalsContact CG1-CD1 3.47Å; V783-I789 HydrophobicContact CG1-CG1 3.9Å; D787-I789 VanDerWaalsContact C-N 3.25Å; D787-I789 PolarHBondContact O-N 3.17Å
790	E	53.1	Low	54.6	Low	138 Å²	138	84.8 Å²	84.8	65%	0.645	44%	0.44	S	S	*	.			trans	-94.3	134.7	167.4	-71.7	-170.4	174.7	0	0	107.9	N788 E792	N788-E790 PolarHBondContact O-N 3Å; E790-E792 PolarHBondContact O-N 3.07Å
791	R	56	Low	52.7	Low	25 Å²	25	87.9 Å²	87.9	9%	0.094	45%	0.453	C	S	.	.			trans	-63.8	121.1	168.2	-48.6	170.2	-139.6	173.6	8.4	105.3	N197 Y198 E713 K793	N197-R791 HydrophobicContact CB-CB 4.04Å; N197-R791 PolarHBondContact O-NH1 3.39Å; Y198-R791 HydrophobicContact CE1-CG 4.4Å; Y198-R791 VanDerWaalsContact CE1-NH2 3.26Å; Y198-R791 HydrophobicContact CE2-CB 3.79Å; Y198-R791 HydrophobicContact CE2-CG 4.22Å; Y198-R791 VanDerWaalsContact CZ-CD 3.44Å; Y198-R791 WeakPolarHBondContact OH-CB 3.45Å; Y198-R791 WeakPolarHBondContact OH-CG 3.29Å; Y198-R791 PolarHBondContact OH-N 3.18Å; E713-R791 IonicContact OE1-CZ 3.62Å; E713-R791 IonicContact OE1-NH2 3.82Å; E713-R791 PolarHBondContact OE1-NH2 3.27Å; E713-R791 IonicContact OE2-CZ 3.4Å; E713-R791 IonicContact OE2-NE 2.71Å; E713-R791 PolarHBondContact OE2-NE 3.46Å; E713-R791 IonicContact OE2-NH2 3.1Å; E713-R791 PolarHBondContact OE2-NH2 3.35Å; R791-K793 PolarHBondContact O-N 2.9Å
792	E	49	Very low	50.7	Low	165 Å²	165	89 Å²	89	77%	0.771	46%	0.458	S	S	*	.			trans	-51.9	115.2	174.5	-78	-170.9	163.6	0	0	108.2	N197 E790 T794	N197-E792 PolarHBondContact ND2-O 3.14Å; E790-E792 PolarHBondContact O-N 3.07Å; E792-T794 VanDerWaalsContact C-N 3.26Å; E792-T794 PolarHBondContact O-N 2.95Å
793	K	41.3	Very low	49	Very low	130 Å²	130	88.8 Å²	88.8	57%	0.565	46%	0.457	S	S	*	.			trans	-70.6	92.4	172.2	-69.9	-172.2	178	-168.3	0	106.4	Y198 R791 T795	Y198-K793 HydrophobicContact CE2-CG 4.27Å; R791-K793 PolarHBondContact O-N 2.9Å; K793-T795 HydrophobicContact CB-CG2 4.3Å; K793-T795 PolarHBondContact O-N 3.28Å
794	T	45.2	Very low	47.4	Very low	71 Å²	71	89.5 Å²	89.5	44%	0.436	46%	0.463	S	S	.	.			trans	-67.9	83.6	168.5	-10.6	0	0	0	0	107.1	E792 E796	E792-T794 VanDerWaalsContact C-N 3.26Å; E792-T794 PolarHBondContact O-N 2.95Å; T794-E796 PolarHBondContact O-N 3.28Å
795	T	36.9	Very low	46	Very low	128 Å²	128	89.1 Å²	89.1	79%	0.785	48%	0.476	S	S	*	.			trans	-74.1	-15.4	178.4	42.9	0	0	0	0	112.4	K793	K793-T795 HydrophobicContact CB-CG2 4.3Å; K793-T795 PolarHBondContact O-N 3.28Å
796	E	40	Very low	44.4	Very low	172 Å²	172	93.6 Å²	93.6	80%	0.804	49%	0.491	S	S	*	.			trans	-116.7	81.3	176.2	-66.1	-171.5	173.3	0	0	109.7	T794 G798	T794-E796 PolarHBondContact O-N 3.28Å; E796-G798 PolarHBondContact O-N 2.8Å
797	F	50	Low	43.3	Very low	59 Å²	59	89.7 Å²	89.7	26%	0.259	48%	0.476	S	S	.	.			trans	-62.4	130.9	157.7	-56.8	-70.1	0	0	0	107.1	R192 M195	R192-F797 HydrophobicContact CG-CD2 4.37Å; M195-F797 HydrophobicContact CB-CD1 4.13Å; M195-F797 HydrophobicContact CB-CE1 3.71Å; M195-F797 HydrophobicContact CB-CZ 4.04Å; M195-F797 HydrophobicContact CE-CD1 3.59Å; M195-F797 HydrophobicContact CE-CE1 4.15Å; M195-F797 HydrophobicContact CE-CG 4.35Å; M195-F797 WeakPolarHBondContact O-CE1 3.34Å; M195-F797 WeakPolarHBondContact O-CZ 3.44Å; M195-F797 HydrophobicContact SD-CD1 4.45Å
798	G	48.8	Very low	42	Very low	25 Å²	25	90.4 Å²	90.4	26%	0.258	50%	0.498	S	S	.	.			trans	-53.1	179.9	-170.6	0	0	0	0	0	116	S230 E796 A800	S230-G798 CarbonylContact O-C 3.58Å; S230-G798 WeakPolarHBondContact O-CA 3.47Å; E796-G798 PolarHBondContact O-N 2.8Å; G798-A800 PolarHBondContact O-N 2.96Å
799	E	48.2	Very low	40.8	Very low	85 Å²	85	91 Å²	91	40%	0.397	49%	0.494	S	S	.	.			trans	-55.2	109.3	-171.9	-74.7	-163.3	133.9	0	0	112.7	S230 K801 K811	S230-E799 PolarHBondContact O-N 3.15Å; E799-K801 HydrophobicContact CB-CG 4.4Å; E799-K801 PolarHBondContact O-N 2.85Å; E799-K801 VanDerWaalsContact O-N 3.14Å; E799-K801 WeakPolarHBondContact OE2-CE 3.29Å; E799-K801 IonicContact OE2-NZ 2.68Å; E799-K801 PolarHBondContact OE2-NZ 3.38Å; E799-K811 IonicContact OE1-NZ 3.83Å; E799-K811 PolarHBondContact OE1-NZ 2.89Å
800	A	49.5	Very low	39.4	Very low	42 Å²	42	98.7 Å²	98.7	35%	0.347	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	112.4	169.2	0	0	0	0	0	109.6	F188 G798	F188-A800 HydrophobicContact CD1-CB 3.94Å; F188-A800 HydrophobicContact CE1-CB 3.98Å; F188-A800 HydrophobicContact CG-CB 4.26Å; F188-A800 HydrophobicContact CZ-CB 4.32Å; G798-A800 PolarHBondContact O-N 2.96Å
801	K	47.7	Very low	38.3	Very low	102 Å²	102	100.3 Å²	100.3	44%	0.443	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.4	-178	-75.6	176.7	-179.4	159.1	0	110.2	I228 E799	I228-K801 PolarHBondContact O-N 3.08Å; E799-K801 HydrophobicContact CB-CG 4.4Å; E799-K801 PolarHBondContact O-N 2.85Å; E799-K801 VanDerWaalsContact O-N 3.14Å; E799-K801 WeakPolarHBondContact OE2-CE 3.29Å; E799-K801 IonicContact OE2-NZ 2.68Å; E799-K801 PolarHBondContact OE2-NZ 3.38Å
802	H	40.7	Very low	37.2	Very low	25 Å²	25	105.8 Å²	105.8	12%	0.116	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	113.8	157.3	-174.1	-75.1	0	0	0	108.1	N184 F188 L227 F363 S804 K809	N184-H802 PolarHBondContact OD1-CD2 3.37Å; F188-H802 HydrophobicContact CE2-CB 4.28Å; F188-H802 HydrophobicContact CZ-CB 4.22Å; L227-H802 HydrophobicContact CD2-CB 4.4Å; F363-H802 AromaticContact CE2-NE2 3.55Å; H802-S804 PolarHBondContact ND1-N 3.21Å; H802-S804 VanDerWaalsContact ND1-N 3.11Å; H802-S804 PolarHBondContact O-N 3.39Å; H802-K809 PolarHBondContact O-NZ 3.21Å
803	V	34	Very low	36.3	Very low	85 Å²	85	106.3 Å²	106.3	52%	0.515	57%	0.569	S	S	.	*			trans	-78.1	73.3	172.8	-171	0	0	0	0	108.1	T225	T225-V803 WeakPolarHBondContact CB-O 3.4Å; T225-V803 HydrophobicContact CG2-CB 3.81Å; T225-V803 WeakPolarHBondContact CG2-O 3.49Å; T225-V803 PolarHBondContact OG1-O 3.15Å; T225-V803 VanDerWaalsContact OG1-O 3.1Å
804	S	30	Very low	35.8	Very low	32 Å²	32	106 Å²	106	22%	0.224	58%	0.58	C	S	.	*			trans	-60	147.4	165.1	47.3	0	0	0	0	108.1	H802 E806	H802-S804 PolarHBondContact ND1-N 3.21Å; H802-S804 VanDerWaalsContact ND1-N 3.11Å; H802-S804 PolarHBondContact O-N 3.39Å; S804-E806 PolarHBondContact O-N 2.87Å
805	A	26.1	Very low	35.4	Very low	90 Å²	90	111.6 Å²	111.6	74%	0.744	60%	0.599	S	S	*	*	S	Bend	trans	-54.8	103.8	168.4	0	0	0	0	0	108	D807	A805-D807 PolarHBondContact O-N 3.42Å
806	E	22.3	Very low	35.3	Very low	191 Å²	191	111 Å²	111	89%	0.893	60%	0.597	S	S	*	*	S	Bend	trans	29.4	69.9	172	-63.2	-172.1	158.6	0	0	117.2	S804	S804-E806 PolarHBondContact O-N 2.87Å
807	D	28	Very low	35.1	Very low	92 Å²	92	110.1 Å²	110.1	49%	0.492	60%	0.596	S	S	.	*			trans	-109	94.5	159.7	-70.9	-44.3	0	0	0	108.5	A805 K809	A805-D807 PolarHBondContact O-N 3.42Å; D807-K809 VanDerWaalsContact O-CG 3.27Å; D807-K809 WeakPolarHBondContact O-CG 3.42Å; D807-K809 PolarHBondContact O-N 2.87Å
808	G	26.4	Very low	34.6	Very low	76 Å²	76	113.8 Å²	113.8	78%	0.784	62%	0.623	S	S	*	*			trans	-54.2	97.6	-178.7	0	0	0	0	0	113.2
809	K	29.6	Very low	34	Very low	153 Å²	153	120.2 Å²	120.2	67%	0.665	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-75.9	132.5	-175.3	-57.7	-177.4	-179.7	170.3	0	112.1	H802 D807	H802-K809 PolarHBondContact O-NZ 3.21Å; D807-K809 VanDerWaalsContact O-CG 3.27Å; D807-K809 WeakPolarHBondContact O-CG 3.42Å; D807-K809 PolarHBondContact O-N 2.87Å
810	E	25.5	Very low	33.6	Very low	187 Å²	187	118.9 Å²	118.9	87%	0.874	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-102.9	126.2	150.5	-114.4	-174.5	165.5	0	0	107.3	V812	E810-V812 PolarHBondContact O-N 3.14Å
811	K	28.3	Very low	33.7	Very low	172 Å²	172	125.2 Å²	125.2	75%	0.748	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.6	135.2	179.6	-70	-177.4	176.7	-178.6	0	109.7	E799 K813	E799-K811 IonicContact OE1-NZ 3.83Å; E799-K811 PolarHBondContact OE1-NZ 2.89Å; K811-K813 PolarHBondContact O-N 3.2Å
812	V	34.4	Very low	34.5	Very low	139 Å²	139	127.7 Å²	127.7	84%	0.842	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-53.1	116.7	167.8	176.3	0	0	0	0	107.1	E810 P814	E810-V812 PolarHBondContact O-N 3.14Å; V812-P814 WeakPolarHBondContact O-CD 3.44Å
813	K	29.8	Very low	36.2	Very low	177 Å²	177	129.4 Å²	129.4	77%	0.77	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.1	124.2	-178.4	-74.3	-177.7	178.7	176.4	0	108.4	K811 K815	K811-K813 PolarHBondContact O-N 3.2Å; K813-K815 PolarHBondContact O-N 3.16Å; K813-K815 VanDerWaalsContact O-N 3.11Å
814	P	31.4	Very low	38.4	Very low	122 Å²	122	126.7 Å²	126.7	79%	0.792	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.7	176.6	19.6	-29.4	0	0	0	108.6	V812	V812-P814 WeakPolarHBondContact O-CD 3.44Å
815	K	35.4	Very low	41.1	Very low	189 Å²	189	133.8 Å²	133.8	82%	0.822	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.9	133.5	173.1	-73.9	177.9	179.3	171.2	0	107.3	K813 I817	K813-K815 PolarHBondContact O-N 3.16Å; K813-K815 VanDerWaalsContact O-N 3.11Å; K815-I817 PolarHBondContact O-N 3.42Å
816	P	34.5	Very low	43.9	Very low	116 Å²	116	133.8 Å²	133.8	75%	0.753	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-59.2	131.2	179.3	22.7	-31.5	0	0	0	109.5	V818	P816-V818 PolarHBondContact O-N 3.3Å
817	I	36.8	Very low	47.1	Very low	153 Å²	153	129 Å²	129	79%	0.785	69%	0.685	S	S	*	*			trans	-53.4	111.3	176.4	-61.3	167.8	0	0	0	107.9	K815 K819	K815-I817 PolarHBondContact O-N 3.42Å; I817-K819 VanDerWaalsContact C-N 3.3Å; I817-K819 HydrophobicContact CG2-CG 4.4Å; I817-K819 PolarHBondContact O-N 3.33Å
818	V	39.9	Very low	49.8	Very low	137 Å²	137	130.4 Å²	130.4	83%	0.83	69%	0.693	S	S	*	*			trans	-71.9	94.3	168.7	-177.8	0	0	0	0	105.8	P816 G820	P816-V818 PolarHBondContact O-N 3.3Å; V818-G820 PolarHBondContact O-N 2.78Å
819	K	35.4	Very low	52.5	Low	160 Å²	160	127 Å²	127	70%	0.696	66%	0.657	S	S	*	*			trans	-60.5	107.3	172.4	-73.3	-174.2	177.2	-177.6	0	107.6	I817	I817-K819 VanDerWaalsContact C-N 3.3Å; I817-K819 HydrophobicContact CG2-CG 4.4Å; I817-K819 PolarHBondContact O-N 3.33Å
820	G	40.5	Very low	55.1	Low	56 Å²	56	124.4 Å²	124.4	58%	0.577	66%	0.656	S	S	*	*			trans	-56.9	161.5	169.4	0	0	0	0	0	111.1	V818 Q822	V818-G820 PolarHBondContact O-N 2.78Å; G820-Q822 PolarHBondContact O-N 3.45Å
821	D	51.2	Low	57.9	Low	175 Å²	175	118.6 Å²	118.6	94%	0.936	64%	0.635	S	S	*	*			trans	-52.2	97	-175.9	-72.7	-33.3	0	0	0	111.5
822	Q	64.8	Low	60.4	Low	155 Å²	155	113.6 Å²	113.6	72%	0.724	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-71.4	129.8	174.5	-72	-171.1	-15.4	0	0	109	G820 G824	G820-Q822 PolarHBondContact O-N 3.45Å; Q822-G824 PolarHBondContact O-N 3.41Å; Q822-G824 VanDerWaalsContact O-N 3.13Å
823	V	76.5	Confident	62.8	Low	61 Å²	61	109.4 Å²	109.4	37%	0.37	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-56.5	118.6	172.9	179.4	0	0	0	0	109	D827 P830 F837	V823-D827 HydrophobicContact CG1-CB 3.89Å; V823-P830 HydrophobicContact CG2-CG 4.22Å; V823-F837 HydrophobicContact CG1-CB 3.99Å; V823-F837 HydrophobicContact CG1-CD2 4.18Å; V823-F837 HydrophobicContact CG1-CG 4.11Å
824	G	79.7	Confident	65.4	Low	28 Å²	28	104.2 Å²	104.2	29%	0.289	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-63	144.1	180	0	0	0	0	0	110.7	Q822 N826 D827	Q822-G824 PolarHBondContact O-N 3.41Å; Q822-G824 VanDerWaalsContact O-N 3.13Å; G824-N826 PolarHBondContact O-N 3.13Å; G824-D827 VanDerWaalsContact CA-OD2 3.24Å; G824-D827 WeakPolarHBondContact CA-OD2 3.32Å; G824-D827 PolarHBondContact N-OD2 3.08Å; G824-D827 WeakPolarHBondContact O-CB 3.35Å; G824-D827 PolarHBondContact O-N 3.28Å
825	R	86.1	Confident	68	Low	181 Å²	181	104.2 Å²	104.2	68%	0.683	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	-25.8	-178.9	-73.1	-178	78.5	-169.4	7.4	114.4	K838	R825-K838 HydrophobicContact CB-CB 4.22Å; R825-K838 VanDerWaalsContact O-CB 3.28Å; R825-K838 WeakPolarHBondContact O-CB 3.37Å; R825-K838 VanDerWaalsContact O-CG 3.26Å; R825-K838 WeakPolarHBondContact O-CG 3.37Å; R825-K838 PolarHBondContact O-N 2.97Å; R825-K838 VanDerWaalsContact O-N 3.11Å
826	N	85.3	Confident	70.4	Confident	90 Å²	90	99.7 Å²	99.7	48%	0.481	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-5	-179.5	-71.5	-42.5	0	0	0	114.5	G824 K836 K838	G824-N826 PolarHBondContact O-N 3.13Å; N826-K836 HydrophobicContact CB-CD 4.47Å; N826-K836 VanDerWaalsContact O-CD 3.29Å; N826-K836 WeakPolarHBondContact O-CD 3.18Å; N826-K836 WeakPolarHBondContact O-CE 3.49Å; N826-K836 WeakPolarHBondContact O-CG 3.44Å; N826-K838 PolarHBondContact OD1-NZ 3.48Å
827	D	88.9	Confident	73	Confident	90 Å²	90	96.9 Å²	96.9	48%	0.481	55%	0.55	S	S	.	*	S	Bend	trans	-76.2	160.5	177.8	-60.1	-21.8	0	0	0	110.1	V823 G824 C829 K836 F837	V823-D827 HydrophobicContact CG1-CB 3.89Å; G824-D827 VanDerWaalsContact CA-OD2 3.24Å; G824-D827 WeakPolarHBondContact CA-OD2 3.32Å; G824-D827 PolarHBondContact N-OD2 3.08Å; G824-D827 WeakPolarHBondContact O-CB 3.35Å; G824-D827 PolarHBondContact O-N 3.28Å; D827-C829 PolarHBondContact O-N 2.77Å; D827-K836 CarbonylContact O-C 3.53Å; D827-K836 VanDerWaalsContact O-CA 3.26Å; D827-K836 WeakPolarHBondContact O-CA 3.34Å; D827-F837 PolarHBondContact O-N 3.16Å
828	D	85.7	Confident	75.3	Confident	122 Å²	122	93.2 Å²	93.2	65%	0.652	53%	0.529	S	S	*	.	B	Isolated β-bridge	trans	-63.6	136.1	175.8	-72.2	-30	0	0	0	110.3
829	C	82.9	Confident	77.5	Confident	5 Å²	5	90.8 Å²	90.8	3%	0.034	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-68.4	130.4	-176.4	-169.5	0	0	0	0	110.1	D827 C831 G832 K835 C840 H841	D827-C829 PolarHBondContact O-N 2.77Å; C829-C831 PolarHBondContact O-N 2.87Å; C829-C831 PolarHBondContact SG-SG 3.23Å; C829-G832 PolarHBondContact O-N 2.71Å; C829-G832 VanDerWaalsContact O-N 3.07Å; C829-K835 WeakPolarHBondContact CB-O 3.32Å; C829-K835 PolarHBondContact N-O 3.12Å; C829-C840 HydrophobicContact CB-CB 3.97Å; C829-H841 PolarHBondContact SG-ND1 2.93Å
830	P	84.3	Confident	80	Confident	97 Å²	97	84.9 Å²	84.9	63%	0.63	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.9	-173.4	24	-34.7	0	0	0	114.2	V823 G832	V823-P830 HydrophobicContact CG2-CG 4.22Å; P830-G832 PolarHBondContact O-N 3.5Å
831	C	85.1	Confident	82	Confident	65 Å²	65	87.8 Å²	87.8	44%	0.439	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2	173.1	68.9	0	0	0	0	114.6	C829 S833 C840 H841	C829-C831 PolarHBondContact O-N 2.87Å; C829-C831 PolarHBondContact SG-SG 3.23Å; C831-S833 VanDerWaalsContact C-N 3.26Å; C831-S833 PolarHBondContact O-N 3.19Å; C831-S833 WeakPolarHBondContact SG-CB 3.45Å; C831-S833 PolarHBondContact SG-OG 2.96Å; C831-C840 VanDerWaalsContact SG-SG 3.6Å; C831-H841 WeakPolarHBondContact CB-CE1 3.44Å; C831-H841 PolarHBondContact SG-CE1 3.37Å; C831-H841 PolarHBondContact SG-ND1 2.94Å
832	G	79.5	Confident	83.5	Confident	68 Å²	68	81 Å²	81	70%	0.701	46%	0.459	S	S	*	.	S	Bend	trans	73	14.7	-179.4	0	0	0	0	0	114.3	C829 P830 G834	C829-G832 PolarHBondContact O-N 2.71Å; C829-G832 VanDerWaalsContact O-N 3.07Å; P830-G832 PolarHBondContact O-N 3.5Å; G832-G834 PolarHBondContact O-N 3.05Å; G832-G834 VanDerWaalsContact O-N 3.09Å
833	S	85.2	Confident	83.8	Confident	50 Å²	50	84 Å²	84	35%	0.35	47%	0.47	S	S	.	.			trans	-67.4	-7.1	-179.2	62.9	0	0	0	0	115	C831 K835	C831-S833 VanDerWaalsContact C-N 3.26Å; C831-S833 PolarHBondContact O-N 3.19Å; C831-S833 WeakPolarHBondContact SG-CB 3.45Å; C831-S833 PolarHBondContact SG-OG 2.96Å; S833-K835 PolarHBondContact O-N 3.43Å; S833-K835 PolarHBondContact OG-N 3.48Å
834	G	84.7	Confident	84.1	Confident	69 Å²	69	85.2 Å²	85.2	71%	0.711	48%	0.475	S	S	*	.	S	Bend	trans	68.1	8	-173.1	0	0	0	0	0	114.3	G832	G832-G834 PolarHBondContact O-N 3.05Å; G832-G834 VanDerWaalsContact O-N 3.09Å
835	K	85.7	Confident	84.4	Confident	121 Å²	121	88.2 Å²	88.2	53%	0.526	49%	0.485	S	S	.	.	S	Bend	trans	-103.9	152.2	176.1	-63.7	176.5	-177	173	0	110.2	C829 S833 C840	C829-K835 WeakPolarHBondContact CB-O 3.32Å; C829-K835 PolarHBondContact N-O 3.12Å; S833-K835 PolarHBondContact O-N 3.43Å; S833-K835 PolarHBondContact OG-N 3.48Å; K835-C840 HydrophobicContact CB-CB 4.34Å
836	K	86.5	Confident	84.3	Confident	94 Å²	94	83.1 Å²	83.1	41%	0.409	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-61.5	145.6	169.3	-64.2	-170.4	170.2	-158.7	0	111.1	N826 D827 K838 N839 C840	N826-K836 HydrophobicContact CB-CD 4.47Å; N826-K836 VanDerWaalsContact O-CD 3.29Å; N826-K836 WeakPolarHBondContact O-CD 3.18Å; N826-K836 WeakPolarHBondContact O-CE 3.49Å; N826-K836 WeakPolarHBondContact O-CG 3.44Å; D827-K836 CarbonylContact O-C 3.53Å; D827-K836 VanDerWaalsContact O-CA 3.26Å; D827-K836 WeakPolarHBondContact O-CA 3.34Å; K836-K838 VanDerWaalsContact C-N 3.3Å; K836-K838 HydrophobicContact CB-CG 4.42Å; K836-K838 PolarHBondContact O-N 2.98Å; K836-N839 WeakPolarHBondContact O-CA 3.29Å; K836-N839 PolarHBondContact O-N 3.17Å; K836-C840 PolarHBondContact O-N 2.61Å
837	F	88.4	Confident	84.2	Confident	57 Å²	57	82.6 Å²	82.6	25%	0.25	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-48.9	-47.1	-177.2	-176.7	-104.4	0	0	0	112.9	V823 D827 N839 C840 H841 G842	V823-F837 HydrophobicContact CG1-CB 3.99Å; V823-F837 HydrophobicContact CG1-CD2 4.18Å; V823-F837 HydrophobicContact CG1-CG 4.11Å; D827-F837 PolarHBondContact O-N 3.16Å; F837-N839 PolarHBondContact O-N 3.15Å; F837-C840 CarbonylContact O-C 3.59Å; F837-C840 PolarHBondContact O-N 3.4Å; F837-H841 HydrophobicContact CD2-CB 4.22Å; F837-H841 HydrophobicContact CE2-CB 3.69Å; F837-H841 HydrophobicContact CZ-CB 4.36Å; F837-H841 PolarHBondContact O-N 3.43Å; F837-G842 WeakPolarHBondContact O-CA 3.36Å; F837-G842 PolarHBondContact O-N 3.4Å
838	K	84.4	Confident	83.9	Confident	77 Å²	77	82.2 Å²	82.2	34%	0.335	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-59.9	-14.8	177.5	72.3	-174.3	-174.7	-172.1	0	116.1	R825 N826 K836	R825-K838 HydrophobicContact CB-CB 4.22Å; R825-K838 VanDerWaalsContact O-CB 3.28Å; R825-K838 WeakPolarHBondContact O-CB 3.37Å; R825-K838 VanDerWaalsContact O-CG 3.26Å; R825-K838 WeakPolarHBondContact O-CG 3.37Å; R825-K838 PolarHBondContact O-N 2.97Å; R825-K838 VanDerWaalsContact O-N 3.11Å; N826-K838 PolarHBondContact OD1-NZ 3.48Å; K836-K838 VanDerWaalsContact C-N 3.3Å; K836-K838 HydrophobicContact CB-CG 4.42Å; K836-K838 PolarHBondContact O-N 2.98Å
839	N	86.5	Confident	83.8	Confident	85 Å²	85	79.5 Å²	79.5	46%	0.455	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-110.1	6.5	-179.2	-67.6	-22.8	0	0	0	112.2	K836 F837	K836-N839 WeakPolarHBondContact O-CA 3.29Å; K836-N839 PolarHBondContact O-N 3.17Å; F837-N839 PolarHBondContact O-N 3.15Å
840	C	88.1	Confident	83.9	Confident	36 Å²	36	84.9 Å²	84.9	24%	0.243	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-105.9	177.9	-169.8	0	0	0	0	109.1	C829 C831 K835 K836 F837 G842 K843	C829-C840 HydrophobicContact CB-CB 3.97Å; C831-C840 VanDerWaalsContact SG-SG 3.6Å; K835-C840 HydrophobicContact CB-CB 4.34Å; K836-C840 PolarHBondContact O-N 2.61Å; F837-C840 CarbonylContact O-C 3.59Å; F837-C840 PolarHBondContact O-N 3.4Å; C840-G842 PolarHBondContact O-N 3.32Å; C840-K843 PolarHBondContact O-N 3.25Å
841	H	83.3	Confident	83.8	Confident	118 Å²	118	83.9 Å²	83.9	55%	0.546	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.7	-177.8	-69.4	90.2	0	0	0	114.8	C829 C831 F837	C829-H841 PolarHBondContact SG-ND1 2.93Å; C831-H841 WeakPolarHBondContact CB-CE1 3.44Å; C831-H841 PolarHBondContact SG-CE1 3.37Å; C831-H841 PolarHBondContact SG-ND1 2.94Å; F837-H841 HydrophobicContact CD2-CB 4.22Å; F837-H841 HydrophobicContact CE2-CB 3.69Å; F837-H841 HydrophobicContact CZ-CB 4.36Å; F837-H841 PolarHBondContact O-N 3.43Å
842	G	82.9	Confident	83.7	Confident	33 Å²	33	85.5 Å²	85.5	34%	0.34	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.8	173.2	0	0	0	0	0	114.3	F837 C840	F837-G842 WeakPolarHBondContact O-CA 3.36Å; F837-G842 PolarHBondContact O-N 3.4Å; C840-G842 PolarHBondContact O-N 3.32Å
843	K	70	Confident	84.1	Confident	218 Å²	218	87.1 Å²	87.1	95%	0.948	47%	0.465	S	S	*	.			trans	-89.7	0	159.3	-80.1	-170.4	172.8	-170.8	0	107.9	C840	C840-K843 PolarHBondContact O-N 3.25Å

Retrieved 843 of 843 residues in 1854.5 ms (Link to these results)

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