A0A096M4K6_POEFO Loading...

Protein tyrosine phosphatase receptor type N

AlphaFold DB , UniProt , Accession A0A096M4K6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 901 aa.

						>A0A096M4K6_POEFO|A0A096M4K6
MMSPRLCAALCLLLTASCRLCSAARHGCLFEKKICPRGQLCSDDGLFGQCGAPDQKPVRYRVSSPVLLRLQEILKDLMVQGLTWNDELTQSIISRELSRVPTTDPDLDPDMDPEENPPKPLLGPAPQTEPDPGGPAEPELMQQYLDYLVLDPYHQVRAGSPHPPVAVAGADPLSVLQNQNQEQRSLKSLDQNPTFQRGDALDRDRLLLQDLLSLYLSSSPALPRHRGAPAAGSSLLPDLDIPLDYNQDYNSQDPQLKKQELDVLSGLDGRSLRRLSLLLDGLDPSAVWQDQRLDSSSVPQLLCRCRMARRLASERASPWQLVEGDTSLSTNQLTEALMAYKAALQEAPPPTARPPGGQKEPANQDAEGVAKLSGHTNQRYGSFYFLSHQPITCQSVFVMTTRAFFLWTPHLPCRPGQKHVSPNNNNNSSAVEPAVTFRTRPNSRNLTVAHQPVAGQNFLEPETGLKVLQSGAEQTEEGKSSLPLATRVQPGSRWVFATLVSMACIGGILVAAMTIACLRRHAHRLAAKKLGLGPDGGSFTHQEYQDLCRQHMASKGAFGRLEAAALAGGVGPDSRVSSVSSQFSDGAQPSPSSHSSTPSWCEEPAQANMDISTGHMILAYMEDHLRNKDRLLKEWAALCSYQAEPSAVSVAQSDANAKKNRCPDSVPYDHSRVKLKADSNPSRSDYVNASTIIEHDPRMPAYIATQGPLPHTISDFWQVSSEGNCTVIVMMTALVEDGEKQCDRYWPDEGSSLYHIYEVNLVSEHIWCNDFLVRSFYLKNVQTQETRTLTQFHFLSWPAQGIPTSTRPLLDFRRKVNKCYRGRSCPIIVHCSDGTGRTGTYILIDMVLNRMAKGVKEIDIAATLEHVRDQRPGMVRTKDQFEFALTAVAEEVNAILKALPQ
					

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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	43.2	Very low	50.9	Low	215 Å²	215	81 Å²	81	100%	1.059	47%	0.465	S	S	*	.				0	86	0	-69.4	172.3	151.9	0	0	112.3
2	M	39.5	Very low	50.9	Low	64 Å²	64	84 Å²	84	32%	0.315	48%	0.478	S	S	.	.				-100.1	-175.2	112	-60.4	129.3	90.5	0	0	105.1	L302 C303 R304	M2-L302 HydrophobicContact CB-CB 4.14Å; M2-L302 VanDerWaalsContact CB-O 3.26Å; M2-L302 WeakPolarHBondContact CB-O 3.33Å; M2-L302 HydrophobicContact CE-CB 4.14Å; M2-L302 HydrophobicContact CE-CD2 3.67Å; M2-L302 WeakPolarHBondContact CE-O 3.28Å; M2-L302 HydrophobicContact CG-CB 4.36Å; M2-C303 VanDerWaalsContact CB-CA 3.48Å; M2-C303 WeakPolarHBondContact CE-O 3.25Å; M2-R304 HydrophobicContact CB-CB 4.15Å; M2-R304 HydrophobicContact CG-CB 3.97Å; M2-R304 HydrophobicContact CG-CG 4.17Å; M2-R304 HydrophobicContact SD-CB 3.31Å; M2-R304 WeakPolarHBondContact SD-CB 3.4Å; M2-R304 WeakPolarHBondContact SD-CD 3.31Å; M2-R304 HydrophobicContact SD-CG 3.15Å; M2-R304 WeakPolarHBondContact SD-CG 3.3Å; M2-R304 PolarHBondContact SD-NE 3.05Å; M2-R304 VanDerWaalsContact SD-NE 3.35Å
3	S	48.9	Very low	50.8	Low	56 Å²	56	86.6 Å²	86.6	39%	0.392	49%	0.488	S	S	.	.			trans	-139.8	-129.3	-169	53.1	0	0	0	0	116.1	L301 C303	S3-L301 CarbonylContact C-O 2.83Å; S3-L301 WeakPolarHBondContact OG-CB 3.38Å; S3-C303 PolarHBondContact O-N 2.82Å
4	P	54.4	Low	50.4	Low	74 Å²	74	86.8 Å²	86.8	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-59.9	-75.7	-166.7	13	-21.8	0	0	0	121.3	L6 C7 A8 Q300 L301	P4-L6 CarbonylContact O-C 2.77Å; P4-L6 PolarHBondContact O-N 3.32Å; P4-C7 CarbonylContact O-C 3.52Å; P4-C7 VanDerWaalsContact O-CA 3.24Å; P4-C7 WeakPolarHBondContact O-CA 3.44Å; P4-C7 VanDerWaalsContact O-CB 3.23Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.02Å; P4-A8 PolarHBondContact O-N 3.38Å; P4-Q300 WeakPolarHBondContact CB-O 3.36Å; P4-Q300 WeakPolarHBondContact CG-O 3.46Å; P4-L301 CarbonylContact C-O 3.56Å; P4-L301 VanDerWaalsContact CA-O 3.25Å; P4-L301 WeakPolarHBondContact CA-O 3.26Å
5	R	51.7	Low	50.1	Low	88 Å²	88	86.8 Å²	86.8	33%	0.332	49%	0.49	S	S	.	.	H	α-helix	trans	-7.2	-59.9	169.8	-96.9	174.3	-150.6	-168.9	1.8	115.6	A9 P299 Q300 L301 L302	R5-A9 WeakPolarHBondContact O-CA 3.34Å; R5-A9 WeakPolarHBondContact O-CB 3.45Å; R5-A9 PolarHBondContact O-N 2.73Å; R5-P299 HydrophobicContact CG-CB 3.67Å; R5-P299 HydrophobicContact CG-CG 3.57Å; R5-P299 VanDerWaalsContact CZ-O 3.23Å; R5-P299 VanDerWaalsContact NE-C 3.31Å; R5-P299 PolarHBondContact NE-O 3.29Å; R5-P299 PolarHBondContact NH2-O 2.67Å; R5-Q300 VanDerWaalsContact CG-C 3.46Å; R5-Q300 PolarHBondContact N-O 3.23Å; R5-L301 VanDerWaalsContact CA-O 3.26Å; R5-L301 WeakPolarHBondContact CA-O 3.45Å; R5-L301 WeakPolarHBondContact CB-O 3.41Å; R5-L301 PolarHBondContact N-O 3.25Å; R5-L302 HydrophobicContact CB-CG 4.45Å
6	L	51.2	Low	49.4	Very low	68 Å²	68	84.9 Å²	84.9	36%	0.356	49%	0.488	S	S	.	.	H	α-helix	trans	-89.4	-23.4	-175.4	-146	82.6	0	0	0	112.8	P4 A8 A9 L10 L301 L302 C303	P4-L6 CarbonylContact O-C 2.77Å; P4-L6 PolarHBondContact O-N 3.32Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A9 HydrophobicContact CD1-CB 4.43Å; L6-L10 WeakPolarHBondContact O-CA 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.38Å; L6-L301 PolarHBondContact N-O 3.15Å; L6-L302 HydrophobicContact CB-CD2 4.22Å; L6-L302 HydrophobicContact CB-CG 4.2Å; L6-L302 WeakPolarHBondContact CB-O 2.93Å; L6-L302 HydrophobicContact CD1-CD2 3.92Å; L6-L302 HydrophobicContact CD1-CG 4.42Å; L6-L302 HydrophobicContact CD2-CD2 4.24Å; L6-L302 HydrophobicContact CG-CD2 4.36Å; L6-C303 HydrophobicContact CB-CB 3.99Å
7	C	52.5	Low	48.8	Very low	66 Å²	66	83.9 Å²	83.9	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-59.4	-48.2	156.6	-108.5	0	0	0	0	110.1	P4 C11 C303	P4-C7 CarbonylContact O-C 3.52Å; P4-C7 VanDerWaalsContact O-CA 3.24Å; P4-C7 WeakPolarHBondContact O-CA 3.44Å; P4-C7 VanDerWaalsContact O-CB 3.23Å; P4-C7 WeakPolarHBondContact O-CB 3.38Å; P4-C7 PolarHBondContact O-N 3.02Å; C7-C11 WeakPolarHBondContact O-CB 3.35Å; C7-C11 PolarHBondContact O-N 3.24Å; C7-C11 PolarHBondContact O-SG 3.4Å; C7-C303 HydrophobicContact CB-CB 4.39Å
8	A	55.1	Low	48.2	Very low	50 Å²	50	84.6 Å²	84.6	41%	0.413	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-43.2	179.2	0	0	0	0	0	113	P4 L6 C11 L12	P4-A8 PolarHBondContact O-N 3.38Å; L6-A8 VanDerWaalsContact C-N 3.34Å; A8-C11 PolarHBondContact O-N 3.07Å; A8-L12 WeakPolarHBondContact O-CB 3.33Å; A8-L12 VanDerWaalsContact O-CG 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.27Å; A8-L12 PolarHBondContact O-N 3.12Å
9	A	56.3	Low	47.8	Very low	37 Å²	37	91.5 Å²	91.5	31%	0.306	51%	0.513	S	S	.	.	H	α-helix	trans	-78.3	-30.8	-179.8	0	0	0	0	0	112.7	R5 L6 L13	R5-A9 WeakPolarHBondContact O-CA 3.34Å; R5-A9 WeakPolarHBondContact O-CB 3.45Å; R5-A9 PolarHBondContact O-N 2.73Å; L6-A9 HydrophobicContact CD1-CB 4.43Å; A9-L13 VanDerWaalsContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 WeakPolarHBondContact O-CD1 3.47Å; A9-L13 WeakPolarHBondContact O-CG 3.18Å; A9-L13 PolarHBondContact O-N 2.62Å
10	L	54.8	Low	47.3	Very low	99 Å²	99	94.3 Å²	94.3	52%	0.518	53%	0.526	S	S	.	.	H	α-helix	trans	-73	-36.7	169.7	-159.9	93.3	0	0	0	110.2	L6 L13 L14	L6-L10 WeakPolarHBondContact O-CA 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.42Å; L6-L10 PolarHBondContact O-N 3.38Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-L14 HydrophobicContact CD2-CD1 4.22Å; L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.39Å
11	C	52.3	Low	46.8	Very low	74 Å²	74	95.3 Å²	95.3	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-64.9	-38.7	169.4	-73.9	0	0	0	0	112.3	C7 A8 L14 T15	C7-C11 WeakPolarHBondContact O-CB 3.35Å; C7-C11 PolarHBondContact O-N 3.24Å; C7-C11 PolarHBondContact O-SG 3.4Å; A8-C11 PolarHBondContact O-N 3.07Å; C11-L14 CarbonylContact O-C 3.46Å; C11-L14 PolarHBondContact O-N 3.31Å; C11-T15 WeakPolarHBondContact O-CG2 3.32Å; C11-T15 PolarHBondContact O-N 2.77Å; C11-T15 PolarHBondContact O-OG1 3.35Å
12	L	51.4	Low	47.1	Very low	117 Å²	117	88.3 Å²	88.3	61%	0.613	51%	0.511	S	S	*	.	H	α-helix	trans	-70.5	-34.5	174.1	-77.4	165.6	0	0	0	112.5	A8 T15 A16	A8-L12 WeakPolarHBondContact O-CB 3.33Å; A8-L12 VanDerWaalsContact O-CG 3.27Å; A8-L12 WeakPolarHBondContact O-CG 3.27Å; A8-L12 PolarHBondContact O-N 3.12Å; L12-T15 WeakPolarHBondContact CA-OG1 3.37Å; L12-T15 PolarHBondContact O-OG1 3.11Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.85Å
13	L	48.6	Very low	47.9	Very low	118 Å²	118	89.1 Å²	89.1	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-71.4	-31.3	171.1	-75.5	166.1	0	0	0	111.9	A9 L10 S17	A9-L13 VanDerWaalsContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 WeakPolarHBondContact O-CD1 3.47Å; A9-L13 WeakPolarHBondContact O-CG 3.18Å; A9-L13 PolarHBondContact O-N 2.62Å; L10-L13 PolarHBondContact O-N 3.44Å; L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.9Å; L13-S17 PolarHBondContact O-OG 2.87Å; L13-S17 VanDerWaalsContact O-OG 3.06Å
14	L	45.3	Very low	48.8	Very low	89 Å²	89	87.9 Å²	87.9	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-74.4	-37.4	173	-76.9	163.9	0	0	0	112.2	L10 C11 S17 C18	L10-L14 HydrophobicContact CD2-CD1 4.22Å; L10-L14 HydrophobicContact CG-CD1 4.29Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CD1 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.39Å; C11-L14 CarbonylContact O-C 3.46Å; C11-L14 PolarHBondContact O-N 3.31Å; L14-S17 WeakPolarHBondContact CA-OG 3.46Å; L14-S17 PolarHBondContact O-OG 2.87Å; L14-C18 WeakPolarHBondContact O-CB 3.47Å; L14-C18 PolarHBondContact O-N 2.85Å; L14-C18 PolarHBondContact O-SG 3.14Å
15	T	46.5	Very low	50.2	Low	87 Å²	87	87.6 Å²	87.6	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-74.5	-28.5	172.3	55.8	0	0	0	0	112.2	C11 L12 R19	C11-T15 WeakPolarHBondContact O-CG2 3.32Å; C11-T15 PolarHBondContact O-N 2.77Å; C11-T15 PolarHBondContact O-OG1 3.35Å; L12-T15 WeakPolarHBondContact CA-OG1 3.37Å; L12-T15 PolarHBondContact O-OG1 3.11Å; T15-R19 VanDerWaalsContact O-CG 3.26Å; T15-R19 WeakPolarHBondContact O-CG 3.5Å; T15-R19 PolarHBondContact O-N 3.15Å
16	A	39.2	Very low	51.8	Low	56 Å²	56	84.2 Å²	84.2	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-71.5	-38.3	169.6	0	0	0	0	0	112.7	L12 R19	L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.85Å; A16-R19 PolarHBondContact O-N 2.98Å
17	S	39.3	Very low	53.5	Low	68 Å²	68	81 Å²	81	48%	0.476	48%	0.481	S	S	.	.	H	α-helix	trans	-78.5	-33.8	176.7	66.9	0	0	0	0	113	L13 L14 R19 L20	L13-S17 VanDerWaalsContact O-CB 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.45Å; L13-S17 PolarHBondContact O-N 2.9Å; L13-S17 PolarHBondContact O-OG 2.87Å; L13-S17 VanDerWaalsContact O-OG 3.06Å; L14-S17 WeakPolarHBondContact CA-OG 3.46Å; L14-S17 PolarHBondContact O-OG 2.87Å; S17-R19 PolarHBondContact O-N 2.61Å; S17-L20 WeakPolarHBondContact O-CB 3.32Å; S17-L20 PolarHBondContact O-N 3.15Å
18	C	37.2	Very low	55	Low	96 Å²	96	78.3 Å²	78.3	65%	0.649	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-69.9	-9.1	170.2	-69.2	0	0	0	0	113.4	L14 L20	L14-C18 WeakPolarHBondContact O-CB 3.47Å; L14-C18 PolarHBondContact O-N 2.85Å; L14-C18 PolarHBondContact O-SG 3.14Å; C18-L20 VanDerWaalsContact C-N 3.26Å
19	R	41.1	Very low	56.3	Low	217 Å²	217	80.1 Å²	80.1	82%	0.819	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-83	4.6	166.6	-80.3	-79.6	-177	154.5	-0.5	113.6	T15 A16 S17	T15-R19 VanDerWaalsContact O-CG 3.26Å; T15-R19 WeakPolarHBondContact O-CG 3.5Å; T15-R19 PolarHBondContact O-N 3.15Å; A16-R19 PolarHBondContact O-N 2.98Å; S17-R19 PolarHBondContact O-N 2.61Å
20	L	38.5	Very low	57.6	Low	147 Å²	147	85 Å²	85	77%	0.77	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-103.7	15.7	173.6	-106.1	75.4	0	0	0	115.1	S17 C18 S22	S17-L20 WeakPolarHBondContact O-CB 3.32Å; S17-L20 PolarHBondContact O-N 3.15Å; C18-L20 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.11Å
21	C	36.8	Very low	58.8	Low	116 Å²	116	83.1 Å²	83.1	78%	0.784	47%	0.468	S	S	*	.			trans	-69.4	88.1	147.1	-75.5	0	0	0	0	107.8	A23	C21-A23 PolarHBondContact O-N 2.82Å
22	S	48.3	Very low	59.6	Low	68 Å²	68	89.3 Å²	89.3	48%	0.476	49%	0.486	S	S	.	.			trans	-58.8	109.7	167.9	-178	0	0	0	0	107.4	L20 A24 Q39	L20-S22 PolarHBondContact O-N 3.11Å; S22-A24 PolarHBondContact O-N 3.11Å; S22-Q39 PolarHBondContact OG-NE2 3.33Å
23	A	56.6	Low	60.8	Low	81 Å²	81	91.9 Å²	91.9	67%	0.669	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-54.2	133	165.7	0	0	0	0	0	107.8	C21 R25	C21-A23 PolarHBondContact O-N 2.82Å; A23-R25 PolarHBondContact O-N 2.75Å; A23-R25 VanDerWaalsContact O-N 3.16Å
24	A	67.8	Low	62.4	Low	29 Å²	29	86.2 Å²	86.2	24%	0.24	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-64.2	119.2	177.9	0	0	0	0	0	107.7	S22 H26 Q49	S22-A24 PolarHBondContact O-N 3.11Å; A24-H26 PolarHBondContact O-CE1 3.42Å; A24-H26 PolarHBondContact O-ND1 3.18Å; A24-Q49 HydrophobicContact CB-CG 3.76Å
25	R	83.9	Confident	64.3	Low	68 Å²	68	83.6 Å²	83.6	26%	0.257	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-85.9	138.6	178.9	-74.7	178.9	159.9	-157.7	-9.4	109.8	A23 I34 C50 E87	A23-R25 PolarHBondContact O-N 2.75Å; A23-R25 VanDerWaalsContact O-N 3.16Å; R25-I34 HydrophobicContact CB-CG2 3.6Å; R25-I34 WeakPolarHBondContact CD-O 3.35Å; R25-I34 HydrophobicContact CG-CG2 4.37Å; R25-I34 PolarHBondContact NH1-O 3.35Å; R25-I34 VanDerWaalsContact NH1-O 3.1Å; R25-C50 HydrophobicContact CB-CB 4.37Å; R25-C50 PolarHBondContact O-N 3.35Å; R25-E87 IonicContact CZ-OE1 2.67Å; R25-E87 IonicContact NE-OE1 3.56Å; R25-E87 IonicContact NH2-OE1 2.67Å; R25-E87 PolarHBondContact NH2-OE1 2.9Å
26	H	85.6	Confident	65.9	Low	18 Å²	18	82.2 Å²	82.2	8%	0.083	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-109.6	157.5	-177.1	-55.5	88.6	0	0	0	111.1	A24 G48 Q49 Y60 Q90 I93 S94 L97	A24-H26 PolarHBondContact O-CE1 3.42Å; A24-H26 PolarHBondContact O-ND1 3.18Å; H26-G48 CarbonylContact C-O 3.53Å; H26-G48 VanDerWaalsContact CA-O 3.31Å; H26-G48 WeakPolarHBondContact CA-O 3.26Å; H26-Q49 PolarHBondContact NE2-NE2 2.77Å; H26-Y60 PolarHBondContact NE2-OH 2.8Å; H26-Q90 PolarHBondContact O-NE2 3.46Å; H26-I93 HydrophobicContact CB-CG2 4.17Å; H26-S94 WeakPolarHBondContact CE1-CB 3.11Å; H26-L97 HydrophobicContact CB-CD1 4.28Å; H26-L97 WeakPolarHBondContact CD2-CD1 3.39Å
27	G	85.9	Confident	67.6	Low	0 Å²	0	92 Å²	92	0%	0	47%	0.469	C	S	.	.			trans	98.9	6.1	-179.9	0	0	0	0	0	114.4	L29 F30 E31 I34 F47 G48	G27-L29 PolarHBondContact O-N 3.2Å; G27-F30 WeakPolarHBondContact O-CA 3.25Å; G27-F30 WeakPolarHBondContact O-CB 3.25Å; G27-F30 PolarHBondContact O-N 2.81Å; G27-E31 PolarHBondContact O-N 3.47Å; G27-I34 VanDerWaalsContact C-CD1 3.42Å; G27-I34 VanDerWaalsContact O-CD1 3.28Å; G27-I34 WeakPolarHBondContact O-CD1 3.23Å; G27-F47 CarbonylContact C-O 3.56Å; G27-F47 WeakPolarHBondContact CA-O 3.43Å; G27-F47 PolarHBondContact N-O 3.39Å; G27-G48 PolarHBondContact N-O 3.36Å
28	C	85.3	Confident	69.1	Low	9 Å²	9	92.1 Å²	92.1	6%	0.061	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.9	-172.3	65.6	0	0	0	0	115	F30 C35 C41 F47 G48 Q49	C28-F30 VanDerWaalsContact C-N 3.31Å; C28-C35 WeakPolarHBondContact CB-SG 3.27Å; C28-C41 HydrophobicContact CB-CB 3.79Å; C28-C41 WeakPolarHBondContact CB-SG 3.33Å; C28-C41 WeakPolarHBondContact SG-CA 3.28Å; C28-C41 WeakPolarHBondContact SG-CB 3.43Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 3.33Å; C28-F47 PolarHBondContact N-O 3.33Å; C28-G48 PolarHBondContact N-O 2.82Å; C28-G48 PolarHBondContact SG-O 3.15Å; C28-G48 VanDerWaalsContact SG-O 3.39Å; C28-Q49 PolarHBondContact SG-N 3.39Å
29	L	82.8	Confident	71.3	Confident	88 Å²	88	90 Å²	90	46%	0.461	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.3	167.7	-71.2	171.3	0	0	0	111.7	G27 F47	G27-L29 PolarHBondContact O-N 3.2Å; L29-F47 PolarHBondContact N-O 3.08Å
30	F	82.4	Confident	73.2	Confident	139 Å²	139	85.3 Å²	85.3	61%	0.61	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-42.6	-176.5	-66.4	-87.4	0	0	0	112.5	G27 C28 F47	G27-F30 WeakPolarHBondContact O-CA 3.25Å; G27-F30 WeakPolarHBondContact O-CB 3.25Å; G27-F30 PolarHBondContact O-N 2.81Å; C28-F30 VanDerWaalsContact C-N 3.31Å; F30-F47 HydrophobicContact CE2-CD1 4.03Å
31	E	80.3	Confident	75.5	Confident	60 Å²	60	81 Å²	81	28%	0.28	43%	0.433	S	S	.	.			trans	-125.7	111.1	178	-162.1	-170.5	154.5	0	0	113.6	G27 K33 I34 N85	G27-E31 PolarHBondContact O-N 3.47Å; E31-K33 PolarHBondContact O-N 2.71Å; E31-I34 HydrophobicContact CB-CD1 3.73Å; E31-I34 HydrophobicContact CB-CG1 4.05Å; E31-I34 WeakPolarHBondContact O-CG1 3.49Å; E31-I34 PolarHBondContact O-N 2.74Å; E31-N85 VanDerWaalsContact CD-ND2 3.27Å; E31-N85 PolarHBondContact OE1-ND2 2.89Å; E31-N85 PolarHBondContact OE2-ND2 3.31Å
32	K	69.3	Low	77.7	Confident	204 Å²	204	77.1 Å²	77.1	89%	0.887	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	13.5	-172	-59.1	-177.4	178.3	-178.9	0	116
33	K	75.6	Confident	79.2	Confident	171 Å²	171	78.3 Å²	78.3	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-5.2	-179.5	-71.3	-178.3	-179.5	172.8	0	114.3	E31 C35	E31-K33 PolarHBondContact O-N 2.71Å; K33-C35 PolarHBondContact O-N 3.31Å
34	I	82.3	Confident	80.4	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-63.7	-40.1	-177.2	-67.6	163.3	0	0	0	112.2	R25 G27 E31 W84	R25-I34 HydrophobicContact CB-CG2 3.6Å; R25-I34 WeakPolarHBondContact CD-O 3.35Å; R25-I34 HydrophobicContact CG-CG2 4.37Å; R25-I34 PolarHBondContact NH1-O 3.35Å; R25-I34 VanDerWaalsContact NH1-O 3.1Å; G27-I34 VanDerWaalsContact C-CD1 3.42Å; G27-I34 VanDerWaalsContact O-CD1 3.28Å; G27-I34 WeakPolarHBondContact O-CD1 3.23Å; E31-I34 HydrophobicContact CB-CD1 3.73Å; E31-I34 HydrophobicContact CB-CG1 4.05Å; E31-I34 WeakPolarHBondContact O-CG1 3.49Å; E31-I34 PolarHBondContact O-N 2.74Å; I34-W84 HydrophobicContact CD1-CB 3.59Å; I34-W84 HydrophobicContact CD1-CG 4.22Å; I34-W84 HydrophobicContact CG1-CB 4.21Å
35	C	85.2	Confident	80.6	Confident	34 Å²	34	75.8 Å²	75.8	23%	0.23	39%	0.393	C	S	.	.	S	Bend	trans	-76.2	130.7	-174.9	-56.1	0	0	0	0	112.4	C28 K33 Q39 C50	C28-C35 WeakPolarHBondContact CB-SG 3.27Å; K33-C35 PolarHBondContact O-N 3.31Å; C35-Q39 HydrophobicContact CB-CB 4.4Å; C35-C50 WeakPolarHBondContact CA-SG 3.39Å; C35-C50 HydrophobicContact CB-CB 3.79Å; C35-C50 WeakPolarHBondContact CB-SG 3.44Å; C35-C50 WeakPolarHBondContact SG-CB 3.43Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.01Å
36	P	80.5	Confident	80.6	Confident	57 Å²	57	74.1 Å²	74.1	37%	0.37	39%	0.389	S	S	.	.			trans	-67.7	156.2	175.2	30.1	-36.2	0	0	0	112.1	G38 Q39	P36-G38 PolarHBondContact O-N 2.9Å; P36-G38 VanDerWaalsContact O-N 3.07Å; P36-Q39 VanDerWaalsContact CD-OE1 3.24Å; P36-Q39 HydrophobicContact CG-CB 4.41Å; P36-Q39 VanDerWaalsContact CG-CD 3.48Å; P36-Q39 HydrophobicContact CG-CG 4.13Å; P36-Q39 PolarHBondContact O-N 3.25Å
37	R	74.6	Confident	80.7	Confident	263 Å²	263	74 Å²	74	99%	0.992	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	113.5	-177.6	-66.6	-178.7	178.7	178.4	-0.3	111.4
38	G	72	Confident	80.6	Confident	69 Å²	69	74 Å²	74	71%	0.711	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.4	-9.9	-179.8	0	0	0	0	0	114.5	P36	P36-G38 PolarHBondContact O-N 2.9Å; P36-G38 VanDerWaalsContact O-N 3.07Å
39	Q	83.3	Confident	80.7	Confident	52 Å²	52	74.4 Å²	74.4	24%	0.243	39%	0.389	C	S	.	.			trans	-94.2	151	167.7	-71.4	176.9	6.6	0	0	111	S22 C35 P36 C50 G51	S22-Q39 PolarHBondContact OG-NE2 3.33Å; C35-Q39 HydrophobicContact CB-CB 4.4Å; P36-Q39 VanDerWaalsContact CD-OE1 3.24Å; P36-Q39 HydrophobicContact CG-CB 4.41Å; P36-Q39 VanDerWaalsContact CG-CD 3.48Å; P36-Q39 HydrophobicContact CG-CG 4.13Å; P36-Q39 PolarHBondContact O-N 3.25Å; Q39-C50 HydrophobicContact CB-CB 4.49Å; Q39-G51 CarbonylContact C-O 3.56Å; Q39-G51 VanDerWaalsContact CA-O 3.23Å; Q39-G51 WeakPolarHBondContact CA-O 3.49Å; Q39-G51 VanDerWaalsContact CB-O 3.28Å; Q39-G51 WeakPolarHBondContact CB-O 3.47Å
40	L	80.8	Confident	80.9	Confident	118 Å²	118	70.3 Å²	70.3	62%	0.618	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.3	171.8	-77.5	161	0	0	0	109.5	C50 G51 P53	L40-C50 WeakPolarHBondContact O-CA 3.33Å; L40-G51 PolarHBondContact N-O 3.1Å; L40-G51 PolarHBondContact O-N 2.87Å; L40-P53 HydrophobicContact CD1-CB 4.18Å
41	C	86.3	Confident	80.9	Confident	57 Å²	57	64.1 Å²	64.1	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.3	171.5	-173.9	0	0	0	0	109	C28	C28-C41 HydrophobicContact CB-CB 3.79Å; C28-C41 WeakPolarHBondContact CB-SG 3.33Å; C28-C41 WeakPolarHBondContact SG-CA 3.28Å; C28-C41 WeakPolarHBondContact SG-CB 3.43Å; C28-C41 CovalentContact SG-SG 2.04Å; C28-C41 PolarHBondContact SG-SG 3.33Å
42	S	83.1	Confident	80.8	Confident	34 Å²	34	63.6 Å²	63.6	24%	0.238	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.5	169	-176.6	0	0	0	0	109.5	D44 G48 Q49 P57	S42-D44 PolarHBondContact O-N 2.67Å; S42-G48 CarbonylContact O-C 3.47Å; S42-G48 VanDerWaalsContact O-CA 3.22Å; S42-G48 WeakPolarHBondContact O-CA 3.35Å; S42-Q49 WeakPolarHBondContact CB-O 3.49Å; S42-Q49 PolarHBondContact N-O 3.36Å; S42-Q49 PolarHBondContact O-N 3.46Å; S42-P57 WeakPolarHBondContact OG-CB 3.46Å
43	D	80.5	Confident	80.9	Confident	94 Å²	94	58.1 Å²	58.1	50%	0.503	33%	0.334	S	S	.	.			trans	-75.4	117.1	166.6	-174.6	0.9	0	0	0	109.4	G45	D43-G45 PolarHBondContact OD1-N 2.84Å
44	D	80.7	Confident	80.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	34%	0.34	C	S	.	.			trans	-101.2	2.5	178.6	61.7	8.6	0	0	0	112.9	S42 L46 F47 G48 V58 Y60	S42-D44 PolarHBondContact O-N 2.67Å; D44-L46 WeakPolarHBondContact OD1-CA 3.04Å; D44-L46 PolarHBondContact OD1-N 2.89Å; D44-F47 PolarHBondContact OD1-N 2.85Å; D44-G48 VanDerWaalsContact CG-N 3.3Å; D44-G48 PolarHBondContact OD1-N 3.07Å; D44-G48 PolarHBondContact OD2-N 2.71Å; D44-V58 VanDerWaalsContact CA-O 3.28Å; D44-V58 WeakPolarHBondContact CA-O 3.25Å; D44-V58 VanDerWaalsContact CB-O 3.26Å; D44-V58 WeakPolarHBondContact CB-O 3.49Å; D44-Y60 HydrophobicContact CB-CD2 4.04Å; D44-Y60 HydrophobicContact CB-CE2 4.05Å; D44-Y60 PolarHBondContact O-N 3.32Å
45	G	73.3	Confident	79.7	Confident	55 Å²	55	62.5 Å²	62.5	57%	0.567	36%	0.362	S	S	*	.	S	Bend	trans	79.4	10	-173.7	0	0	0	0	0	114.7	D43	D43-G45 PolarHBondContact OD1-N 2.84Å
46	L	83.7	Confident	78.8	Confident	33 Å²	33	66.7 Å²	66.7	17%	0.173	38%	0.377	C	S	.	.	S	Bend	trans	-145.5	-67.8	-173.1	-172.9	72.7	0	0	0	114.7	D44 V62 L70 L97	D44-L46 WeakPolarHBondContact OD1-CA 3.04Å; D44-L46 PolarHBondContact OD1-N 2.89Å; L46-V62 HydrophobicContact CD1-CG2 3.98Å; L46-L70 HydrophobicContact CD1-CD1 4.42Å; L46-L70 HydrophobicContact CD2-CD1 3.98Å; L46-L97 HydrophobicContact CD2-CD2 3.33Å
47	F	86.3	Confident	78.2	Confident	15 Å²	15	67.2 Å²	67.2	7%	0.066	38%	0.38	C	S	.	.	S	Bend	trans	-125.3	-17.9	-174.9	-63.7	-47	0	0	0	113.5	G27 C28 L29 F30 D44 L70 L74 W84 I93 L97	G27-F47 CarbonylContact C-O 3.56Å; G27-F47 WeakPolarHBondContact CA-O 3.43Å; G27-F47 PolarHBondContact N-O 3.39Å; C28-F47 PolarHBondContact N-O 3.33Å; L29-F47 PolarHBondContact N-O 3.08Å; F30-F47 HydrophobicContact CE2-CD1 4.03Å; D44-F47 PolarHBondContact OD1-N 2.85Å; F47-L70 HydrophobicContact CE2-CD1 4.37Å; F47-L70 HydrophobicContact CE2-CD2 4.44Å; F47-L70 HydrophobicContact CZ-CD1 4.49Å; F47-L74 HydrophobicContact CE1-CD1 3.77Å; F47-L74 HydrophobicContact CZ-CD1 3.7Å; F47-W84 HydrophobicContact CB-CH2 4.42Å; F47-W84 AromaticContact CD1-CH2 3.86Å; F47-W84 HydrophobicContact CD1-CH2 3.86Å; F47-W84 HydrophobicContact CD1-CZ2 4.24Å; F47-W84 HydrophobicContact CD2-CH2 4.22Å; F47-W84 HydrophobicContact CE1-CH2 4.16Å; F47-W84 HydrophobicContact CE1-CZ2 4.47Å; F47-W84 HydrophobicContact CE2-CH2 4.48Å; F47-W84 AromaticContact CG-CH2 3.92Å; F47-W84 HydrophobicContact CG-CH2 3.92Å; F47-W84 HydrophobicContact CZ-CH2 4.47Å; F47-I93 HydrophobicContact CD2-CG2 4.03Å; F47-I93 HydrophobicContact CE2-CG2 4.14Å; F47-L97 HydrophobicContact CD2-CD1 4.25Å; F47-L97 HydrophobicContact CD2-CD2 4.2Å; F47-L97 HydrophobicContact CE2-CD2 4.16Å
48	G	85.3	Confident	78	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	35%	0.348	C	S	.	.			trans	80	131.4	-171.3	0	0	0	0	0	111.9	H26 G27 C28 S42 D44	H26-G48 CarbonylContact C-O 3.53Å; H26-G48 VanDerWaalsContact CA-O 3.31Å; H26-G48 WeakPolarHBondContact CA-O 3.26Å; G27-G48 PolarHBondContact N-O 3.36Å; C28-G48 PolarHBondContact N-O 2.82Å; C28-G48 PolarHBondContact SG-O 3.15Å; C28-G48 VanDerWaalsContact SG-O 3.39Å; S42-G48 CarbonylContact O-C 3.47Å; S42-G48 VanDerWaalsContact O-CA 3.22Å; S42-G48 WeakPolarHBondContact O-CA 3.35Å; D44-G48 VanDerWaalsContact CG-N 3.3Å; D44-G48 PolarHBondContact OD1-N 3.07Å; D44-G48 PolarHBondContact OD2-N 2.71Å
49	Q	86.6	Confident	78.3	Confident	19 Å²	19	61.5 Å²	61.5	9%	0.089	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129	-178.7	-176.5	171.4	93	0	0	111.2	A24 H26 C28 S42 G51	A24-Q49 HydrophobicContact CB-CG 3.76Å; H26-Q49 PolarHBondContact NE2-NE2 2.77Å; C28-Q49 PolarHBondContact SG-N 3.39Å; S42-Q49 WeakPolarHBondContact CB-O 3.49Å; S42-Q49 PolarHBondContact N-O 3.36Å; S42-Q49 PolarHBondContact O-N 3.46Å; Q49-G51 PolarHBondContact O-N 2.79Å
50	C	87	Confident	78.2	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.6	172.3	-58.5	0	0	0	0	110.5	R25 C35 Q39 L40	R25-C50 HydrophobicContact CB-CB 4.37Å; R25-C50 PolarHBondContact O-N 3.35Å; C35-C50 WeakPolarHBondContact CA-SG 3.39Å; C35-C50 HydrophobicContact CB-CB 3.79Å; C35-C50 WeakPolarHBondContact CB-SG 3.44Å; C35-C50 WeakPolarHBondContact SG-CB 3.43Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.01Å; Q39-C50 HydrophobicContact CB-CB 4.49Å; L40-C50 WeakPolarHBondContact O-CA 3.33Å
51	G	82.5	Confident	77.9	Confident	8 Å²	8	63.9 Å²	63.9	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	168.8	-176.8	0	0	0	0	0	113.8	Q39 L40 Q49	Q39-G51 CarbonylContact C-O 3.56Å; Q39-G51 VanDerWaalsContact CA-O 3.23Å; Q39-G51 WeakPolarHBondContact CA-O 3.49Å; Q39-G51 VanDerWaalsContact CB-O 3.28Å; Q39-G51 WeakPolarHBondContact CB-O 3.47Å; L40-G51 PolarHBondContact N-O 3.1Å; L40-G51 PolarHBondContact O-N 2.87Å; Q49-G51 PolarHBondContact O-N 2.79Å
52	A	78.3	Confident	77.5	Confident	49 Å²	49	63.6 Å²	63.6	41%	0.405	34%	0.338	S	S	.	.			trans	-73.6	153.1	169.1	0	0	0	0	0	110.7	D54 Q55	A52-D54 PolarHBondContact O-N 3.26Å; A52-D54 VanDerWaalsContact O-N 3.13Å; A52-Q55 HydrophobicContact CB-CB 4.38Å; A52-Q55 VanDerWaalsContact N-OE1 3.08Å; A52-Q55 VanDerWaalsContact O-CB 3.25Å; A52-Q55 WeakPolarHBondContact O-CB 3.45Å; A52-Q55 PolarHBondContact O-N 2.85Å
53	P	70.5	Confident	77.3	Confident	89 Å²	89	64.8 Å²	64.8	58%	0.578	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.9	-178.2	21.3	-33.4	0	0	0	114.7	L40	L40-P53 HydrophobicContact CD1-CB 4.18Å
54	D	65.8	Low	77.2	Confident	161 Å²	161	64.5 Å²	64.5	86%	0.861	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	8.9	-179.7	-52.2	-50.6	0	0	0	113.5	A52	A52-D54 PolarHBondContact O-N 3.26Å; A52-D54 VanDerWaalsContact O-N 3.13Å
55	Q	68.3	Low	77.2	Confident	102 Å²	102	69 Å²	69	48%	0.477	38%	0.381	S	S	.	.	S	Bend	trans	-91.3	125.7	-174.3	-168.1	169.8	-3.3	0	0	111.2	A52	A52-Q55 HydrophobicContact CB-CB 4.38Å; A52-Q55 VanDerWaalsContact N-OE1 3.08Å; A52-Q55 VanDerWaalsContact O-CB 3.25Å; A52-Q55 WeakPolarHBondContact O-CB 3.45Å; A52-Q55 PolarHBondContact O-N 2.85Å
56	K	64.9	Low	77.6	Confident	122 Å²	122	68.1 Å²	68.1	53%	0.53	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.2	136.8	177.2	-75.9	-164.2	175.6	-168.8	0	111.1	V58 D106	K56-V58 PolarHBondContact O-N 3.41Å; K56-D106 IonicContact NZ-OD1 3.57Å; K56-D106 PolarHBondContact NZ-OD1 3.27Å; K56-D106 IonicContact NZ-OD2 2.66Å; K56-D106 PolarHBondContact NZ-OD2 3.27Å
57	P	67.5	Low	77.6	Confident	68 Å²	68	71 Å²	71	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-71.2	122.8	178.4	29.5	-34.8	0	0	0	110.8	S42	S42-P57 WeakPolarHBondContact OG-CB 3.46Å
58	V	72.1	Confident	77.3	Confident	52 Å²	52	75 Å²	75	32%	0.315	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-80.9	131.1	170.7	178.9	0	0	0	0	108.8	D44 K56 T102	D44-V58 VanDerWaalsContact CA-O 3.28Å; D44-V58 WeakPolarHBondContact CA-O 3.25Å; D44-V58 VanDerWaalsContact CB-O 3.26Å; D44-V58 WeakPolarHBondContact CB-O 3.49Å; K56-V58 PolarHBondContact O-N 3.41Å; V58-T102 HydrophobicContact CG1-CG2 3.47Å; V58-T102 VanDerWaalsContact CG1-CG2 3.47Å
59	R	78.1	Confident	77.4	Confident	160 Å²	160	81 Å²	81	60%	0.604	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.6	172.2	-77	179.6	173.1	167	-2.8	111.2	T102 T103	R59-T102 WeakPolarHBondContact O-CA 3.42Å; R59-T103 PolarHBondContact O-N 3.45Å; R59-T103 PolarHBondContact O-OG1 3.1Å
60	Y	80.7	Confident	77.4	Confident	32 Å²	32	80.5 Å²	80.5	13%	0.125	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	-179	-66.2	-77.3	0	0	0	111.9	H26 D44 V62 L97 V100 T102	H26-Y60 PolarHBondContact NE2-OH 2.8Å; D44-Y60 HydrophobicContact CB-CD2 4.04Å; D44-Y60 HydrophobicContact CB-CE2 4.05Å; D44-Y60 PolarHBondContact O-N 3.32Å; Y60-V62 PolarHBondContact O-N 2.59Å; Y60-L97 HydrophobicContact CE1-CB 4.21Å; Y60-L97 HydrophobicContact CE2-CD1 4.48Å; Y60-V100 HydrophobicContact CD1-CB 3.94Å; Y60-V100 HydrophobicContact CD1-CG1 4.06Å; Y60-V100 HydrophobicContact CG-CG1 4.44Å; Y60-T102 HydrophobicContact CD1-CG2 3.8Å; Y60-T102 HydrophobicContact CE1-CG2 3.74Å
61	R	75.2	Confident	77.4	Confident	189 Å²	189	86.2 Å²	86.2	71%	0.713	45%	0.448	S	S	*	.			trans	-85.6	85.8	172.9	-170.6	176	-178.3	172	1.8	110.1	P101 T103	R61-P101 PolarHBondContact N-O 3.18Å; R61-T103 HydrophobicContact CB-CG2 4.34Å
62	V	77.6	Confident	77.8	Confident	50 Å²	50	91.1 Å²	91.1	30%	0.303	47%	0.469	S	S	.	.			trans	-72	131	179.6	-162.5	0	0	0	0	110.6	L46 Y60 V66 L67	L46-V62 HydrophobicContact CD1-CG2 3.98Å; Y60-V62 PolarHBondContact O-N 2.59Å; V62-V66 HydrophobicContact CG1-CB 4.47Å; V62-V66 HydrophobicContact CG1-CG1 4.24Å; V62-L67 HydrophobicContact CG1-CB 3.94Å; V62-L67 HydrophobicContact CG1-CD1 4.37Å
63	S	77.8	Confident	78.4	Confident	59 Å²	59	89.8 Å²	89.8	41%	0.413	46%	0.455	S	S	.	.			trans	-110.5	158.1	167.8	66.1	0	0	0	0	110.3	V66 L67	S63-V66 WeakPolarHBondContact O-CA 3.49Å; S63-V66 WeakPolarHBondContact O-CB 3.42Å; S63-V66 PolarHBondContact O-N 3.36Å; S63-V66 WeakPolarHBondContact OG-CG2 3.11Å; S63-L67 PolarHBondContact O-N 2.94Å
64	S	78.5	Confident	79.2	Confident	89 Å²	89	87.3 Å²	87.3	62%	0.622	44%	0.436	S	S	*	.	H	α-helix	trans	-50.7	-44.8	-178.9	168.6	0	0	0	0	113.9	V66 L67 L68	S64-V66 VanDerWaalsContact C-N 3.34Å; S64-V66 PolarHBondContact O-N 3Å; S64-L67 PolarHBondContact O-N 3.23Å; S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 3.07Å; S64-L68 VanDerWaalsContact O-N 3.07Å
65	P	80.5	Confident	80.3	Confident	95 Å²	95	86.7 Å²	86.7	62%	0.617	43%	0.426	S	S	*	.	H	α-helix	trans	-62.3	-34.9	174.7	-24.6	35.4	0	0	0	114.4	R69	P65-R69 WeakPolarHBondContact O-CB 3.38Å; P65-R69 PolarHBondContact O-N 3.3Å; P65-R69 VanDerWaalsContact O-N 3.15Å
66	V	83.3	Confident	81.3	Confident	36 Å²	36	86.1 Å²	86.1	22%	0.218	43%	0.426	C	S	.	.	H	α-helix	trans	-68.9	-42.3	176.7	170.1	0	0	0	0	110.6	V62 S63 S64 R69 L70 V100	V62-V66 HydrophobicContact CG1-CB 4.47Å; V62-V66 HydrophobicContact CG1-CG1 4.24Å; S63-V66 WeakPolarHBondContact O-CA 3.49Å; S63-V66 WeakPolarHBondContact O-CB 3.42Å; S63-V66 PolarHBondContact O-N 3.36Å; S63-V66 WeakPolarHBondContact OG-CG2 3.11Å; S64-V66 VanDerWaalsContact C-N 3.34Å; S64-V66 PolarHBondContact O-N 3Å; V66-R69 PolarHBondContact O-N 3.34Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CG 3.47Å; V66-L70 PolarHBondContact O-N 3.13Å; V66-V100 HydrophobicContact CG1-CG1 4.22Å; V66-V100 HydrophobicContact CG1-CG2 3.61Å
67	L	81.9	Confident	82.4	Confident	94 Å²	94	80.6 Å²	80.6	49%	0.492	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-45.6	179.1	-170.5	146.4	0	0	0	111.5	V62 S63 S64 R69 L70 Q71	V62-L67 HydrophobicContact CG1-CB 3.94Å; V62-L67 HydrophobicContact CG1-CD1 4.37Å; S63-L67 PolarHBondContact O-N 2.94Å; S64-L67 PolarHBondContact O-N 3.23Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3Å; L67-Q71 WeakPolarHBondContact O-CB 3.49Å; L67-Q71 PolarHBondContact O-N 3.4Å
68	L	81.3	Confident	83	Confident	100 Å²	100	84.2 Å²	84.2	52%	0.524	42%	0.415	S	S	.	.	H	α-helix	trans	-59.4	-41.1	174.7	-70.8	170.6	0	0	0	112.1	S64 Q71 E72	S64-L68 WeakPolarHBondContact O-CG 3.44Å; S64-L68 PolarHBondContact O-N 3.07Å; S64-L68 VanDerWaalsContact O-N 3.07Å; L68-Q71 PolarHBondContact O-N 3.4Å; L68-E72 PolarHBondContact O-N 2.96Å
69	R	86.3	Confident	83.9	Confident	124 Å²	124	87.3 Å²	87.3	47%	0.468	43%	0.434	S	S	.	.	H	α-helix	trans	-69	-38.5	179	-176.5	55.8	176.5	-175.5	2.7	113	P65 V66 L67 E72 I73	P65-R69 WeakPolarHBondContact O-CB 3.38Å; P65-R69 PolarHBondContact O-N 3.3Å; P65-R69 VanDerWaalsContact O-N 3.15Å; V66-R69 PolarHBondContact O-N 3.34Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.9Å; R69-E72 WeakPolarHBondContact CD-OE2 3.32Å; R69-E72 IonicContact CZ-OE2 3.83Å; R69-E72 IonicContact NE-OE2 3.95Å; R69-E72 IonicContact NH1-OE2 3.62Å; R69-E72 PolarHBondContact NH1-OE2 2.84Å; R69-I73 HydrophobicContact CG-CD1 4.3Å; R69-I73 WeakPolarHBondContact O-CG1 3.36Å; R69-I73 PolarHBondContact O-N 3.07Å
70	L	87.4	Confident	84.2	Confident	9 Å²	9	85 Å²	85	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-67.3	-38	174.1	-71.1	170.2	0	0	0	111.5	L46 F47 V66 L67 I73 L74 E96 L97	L46-L70 HydrophobicContact CD1-CD1 4.42Å; L46-L70 HydrophobicContact CD2-CD1 3.98Å; F47-L70 HydrophobicContact CE2-CD1 4.37Å; F47-L70 HydrophobicContact CE2-CD2 4.44Å; F47-L70 HydrophobicContact CZ-CD1 4.49Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CG 3.47Å; V66-L70 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3Å; L70-I73 PolarHBondContact O-N 3.5Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 2.91Å; L70-E96 HydrophobicContact CD2-CB 3.91Å; L70-L97 HydrophobicContact CD1-CD2 4.49Å
71	Q	87.9	Confident	84.5	Confident	122 Å²	122	86.2 Å²	86.2	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-64.2	-42.2	175.6	-173.2	-178.8	12.5	0	0	112.3	L67 L68 K75	L67-Q71 WeakPolarHBondContact O-CB 3.49Å; L67-Q71 PolarHBondContact O-N 3.4Å; L68-Q71 PolarHBondContact O-N 3.4Å; Q71-K75 WeakPolarHBondContact O-CB 3.29Å; Q71-K75 PolarHBondContact O-N 3.23Å
72	E	90.8	Very high	85.1	Confident	111 Å²	111	79.1 Å²	79.1	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-59.1	-46.6	174.6	-177.7	-178.7	-141.7	0	0	111.7	L68 R69 K75 D76	L68-E72 PolarHBondContact O-N 2.96Å; R69-E72 WeakPolarHBondContact CD-OE2 3.32Å; R69-E72 IonicContact CZ-OE2 3.83Å; R69-E72 IonicContact NE-OE2 3.95Å; R69-E72 IonicContact NH1-OE2 3.62Å; R69-E72 PolarHBondContact NH1-OE2 2.84Å; E72-K75 PolarHBondContact O-N 2.93Å; E72-D76 PolarHBondContact O-N 2.82Å; E72-D76 VanDerWaalsContact O-N 3.11Å
73	I	89.9	Confident	85.5	Confident	22 Å²	22	79.9 Å²	79.9	11%	0.113	43%	0.434	C	S	.	.	H	α-helix	trans	-70	-40.9	-178.4	-69.8	174	0	0	0	111.7	R69 L70 K75 D76 L77 I92 E96	R69-I73 HydrophobicContact CG-CD1 4.3Å; R69-I73 WeakPolarHBondContact O-CG1 3.36Å; R69-I73 PolarHBondContact O-N 3.07Å; L70-I73 PolarHBondContact O-N 3.5Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.09Å; I73-D76 PolarHBondContact O-N 3.34Å; I73-L77 HydrophobicContact CG2-CD1 3.99Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.26Å; I73-L77 PolarHBondContact O-N 3.05Å; I73-I92 HydrophobicContact CG2-CG2 3.61Å; I73-E96 HydrophobicContact CD1-CG 3.62Å
74	L	87.8	Confident	85.9	Confident	37 Å²	37	79.2 Å²	79.2	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-62.4	-38.3	173.5	-77	170.7	0	0	0	112.1	F47 L70 L77 M78 W84 I93	F47-L74 HydrophobicContact CE1-CD1 3.77Å; F47-L74 HydrophobicContact CZ-CD1 3.7Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.37Å; L70-L74 PolarHBondContact O-N 2.91Å; L74-L77 PolarHBondContact O-N 2.86Å; L74-M78 WeakPolarHBondContact O-CB 3.46Å; L74-M78 VanDerWaalsContact O-CG 3.3Å; L74-M78 WeakPolarHBondContact O-CG 3.47Å; L74-M78 PolarHBondContact O-N 3.36Å; L74-W84 HydrophobicContact CD2-CH2 3.83Å; L74-W84 HydrophobicContact CD2-CZ2 3.7Å; L74-I93 HydrophobicContact CD2-CD1 3.77Å; L74-I93 HydrophobicContact CG-CD1 4.17Å
75	K	87.6	Confident	86.2	Confident	148 Å²	148	78 Å²	78	64%	0.643	41%	0.409	S	S	*	.	H	α-helix	trans	-63	-43.9	176.3	-175.7	-179	178	-177.1	0	112	Q71 E72 I73 M78 V79	Q71-K75 WeakPolarHBondContact O-CB 3.29Å; Q71-K75 PolarHBondContact O-N 3.23Å; E72-K75 PolarHBondContact O-N 2.93Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.09Å; K75-M78 PolarHBondContact O-N 3.06Å; K75-V79 WeakPolarHBondContact O-CG2 3.49Å; K75-V79 PolarHBondContact O-N 3.32Å
76	D	89.3	Confident	86.4	Confident	90 Å²	90	76.4 Å²	76.4	48%	0.481	40%	0.395	S	S	.	.	H	α-helix	trans	-64.1	-44.9	177.5	-173.7	35.4	0	0	0	111.8	E72 I73 M78 V79 Q80	E72-D76 PolarHBondContact O-N 2.82Å; E72-D76 VanDerWaalsContact O-N 3.11Å; I73-D76 PolarHBondContact O-N 3.34Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 3.35Å; D76-V79 PolarHBondContact O-N 3.12Å; D76-Q80 WeakPolarHBondContact O-CG 3.29Å; D76-Q80 PolarHBondContact O-N 3.48Å; D76-Q80 PolarHBondContact OD1-NE2 3.47Å; D76-Q80 PolarHBondContact OD2-NE2 3.39Å
77	L	88.6	Confident	86.5	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.026	41%	0.413	C	S	.	.	H	α-helix	trans	-58.9	-42.4	174.9	-69.1	167.2	0	0	0	112.5	I73 L74 Q80 G81 L82 T89 I92 I93	I73-L77 HydrophobicContact CG2-CD1 3.99Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.26Å; I73-L77 PolarHBondContact O-N 3.05Å; L74-L77 PolarHBondContact O-N 2.86Å; L77-Q80 CarbonylContact O-C 3.6Å; L77-Q80 PolarHBondContact O-N 3.42Å; L77-G81 PolarHBondContact O-N 2.99Å; L77-L82 HydrophobicContact CD2-CD1 3.66Å; L77-L82 WeakPolarHBondContact O-CB 3.49Å; L77-L82 PolarHBondContact O-N 3.33Å; L77-T89 HydrophobicContact CD1-CG2 4.32Å; L77-I92 HydrophobicContact CD1-CG2 4.15Å; L77-I92 HydrophobicContact CD2-CD1 3.8Å; L77-I93 HydrophobicContact CD1-CD1 4.33Å
78	M	81.3	Confident	86.5	Confident	144 Å²	144	80.5 Å²	80.5	71%	0.709	41%	0.411	S	S	*	.	H	α-helix	trans	-66.9	-39.4	176.4	-73.3	177.4	66.9	0	0	112.7	L74 K75 D76 Q80 G81	L74-M78 WeakPolarHBondContact O-CB 3.46Å; L74-M78 VanDerWaalsContact O-CG 3.3Å; L74-M78 WeakPolarHBondContact O-CG 3.47Å; L74-M78 PolarHBondContact O-N 3.36Å; K75-M78 PolarHBondContact O-N 3.06Å; D76-M78 VanDerWaalsContact C-N 3.34Å; D76-M78 PolarHBondContact O-N 3.35Å; M78-Q80 PolarHBondContact O-N 2.88Å; M78-G81 PolarHBondContact O-N 3.48Å
79	V	89.5	Confident	86.8	Confident	118 Å²	118	75.9 Å²	75.9	72%	0.715	39%	0.388	S	S	*	.	H	α-helix	trans	-65.1	-29.5	174.7	168.5	0	0	0	0	111.6	K75 D76 G81	K75-V79 WeakPolarHBondContact O-CG2 3.49Å; K75-V79 PolarHBondContact O-N 3.32Å; D76-V79 PolarHBondContact O-N 3.12Å; V79-G81 PolarHBondContact O-N 3.47Å
80	Q	85.5	Confident	87	Confident	110 Å²	110	70.5 Å²	70.5	51%	0.514	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.3	172.4	-65.6	172.2	39	0	0	113.5	D76 L77 M78 L82	D76-Q80 WeakPolarHBondContact O-CG 3.29Å; D76-Q80 PolarHBondContact O-N 3.48Å; D76-Q80 PolarHBondContact OD1-NE2 3.47Å; D76-Q80 PolarHBondContact OD2-NE2 3.39Å; L77-Q80 CarbonylContact O-C 3.6Å; L77-Q80 PolarHBondContact O-N 3.42Å; M78-Q80 PolarHBondContact O-N 2.88Å; Q80-L82 VanDerWaalsContact C-N 3.32Å; Q80-L82 HydrophobicContact CB-CD1 4.1Å; Q80-L82 HydrophobicContact CB-CG 4.26Å; Q80-L82 PolarHBondContact O-N 2.87Å
81	G	86.4	Confident	86.8	Confident	59 Å²	59	73 Å²	73	61%	0.608	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	14.7	178	0	0	0	0	0	115	L77 M78 V79	L77-G81 PolarHBondContact O-N 2.99Å; M78-G81 PolarHBondContact O-N 3.48Å; V79-G81 PolarHBondContact O-N 3.47Å
82	L	87.4	Confident	86.8	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.209	37%	0.371	C	S	.	.			trans	-85.9	141.3	-175.4	-62.3	167.1	0	0	0	111.8	L77 Q80 D86 L88	L77-L82 HydrophobicContact CD2-CD1 3.66Å; L77-L82 WeakPolarHBondContact O-CB 3.49Å; L77-L82 PolarHBondContact O-N 3.33Å; Q80-L82 VanDerWaalsContact C-N 3.32Å; Q80-L82 HydrophobicContact CB-CD1 4.1Å; Q80-L82 HydrophobicContact CB-CG 4.26Å; Q80-L82 PolarHBondContact O-N 2.87Å; L82-D86 HydrophobicContact CD2-CB 4.49Å; L82-L88 HydrophobicContact CD1-CD2 3.8Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 HydrophobicContact CD2-CD2 4.39Å
83	T	87.8	Confident	86.7	Confident	66 Å²	66	64.3 Å²	64.3	41%	0.405	35%	0.346	S	S	.	.			trans	-109.5	170.6	-177.1	75.8	0	0	0	0	111.9	N85 D86 T89	T83-N85 PolarHBondContact O-N 3.35Å; T83-N85 PolarHBondContact OG1-N 2.81Å; T83-D86 WeakPolarHBondContact CA-OD2 3.22Å; T83-D86 WeakPolarHBondContact CB-OD2 3.41Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.92Å; T83-D86 PolarHBondContact OG1-OD2 2.95Å; T83-T89 WeakPolarHBondContact O-CB 3.33Å; T83-T89 WeakPolarHBondContact O-CG2 3.28Å; T83-T89 PolarHBondContact O-OG1 2.83Å
84	W	85.6	Confident	86.6	Confident	45 Å²	45	65.3 Å²	65.3	17%	0.17	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.1	173	-70.3	104.2	0	0	0	114.1	I34 F47 L74 D86 T89 Q90 I93	I34-W84 HydrophobicContact CD1-CB 3.59Å; I34-W84 HydrophobicContact CD1-CG 4.22Å; I34-W84 HydrophobicContact CG1-CB 4.21Å; F47-W84 HydrophobicContact CB-CH2 4.42Å; F47-W84 AromaticContact CD1-CH2 3.86Å; F47-W84 HydrophobicContact CD1-CH2 3.86Å; F47-W84 HydrophobicContact CD1-CZ2 4.24Å; F47-W84 HydrophobicContact CD2-CH2 4.22Å; F47-W84 HydrophobicContact CE1-CH2 4.16Å; F47-W84 HydrophobicContact CE1-CZ2 4.47Å; F47-W84 HydrophobicContact CE2-CH2 4.48Å; F47-W84 AromaticContact CG-CH2 3.92Å; F47-W84 HydrophobicContact CG-CH2 3.92Å; F47-W84 HydrophobicContact CZ-CH2 4.47Å; L74-W84 HydrophobicContact CD2-CH2 3.83Å; L74-W84 HydrophobicContact CD2-CZ2 3.7Å; W84-D86 VanDerWaalsContact C-N 3.31Å; W84-T89 HydrophobicContact CE3-CG2 4.24Å; W84-Q90 PolarHBondContact O-NE2 3.31Å; W84-I93 HydrophobicContact CH2-CG1 4.31Å; W84-I93 HydrophobicContact CZ3-CB 4.45Å; W84-I93 HydrophobicContact CZ3-CG1 3.96Å; W84-I93 HydrophobicContact CZ3-CG2 4.16Å
85	N	83.5	Confident	86.5	Confident	64 Å²	64	71 Å²	71	34%	0.342	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.7	176	-66.6	-66.1	0	0	0	112.9	E31 T83	E31-N85 VanDerWaalsContact CD-ND2 3.27Å; E31-N85 PolarHBondContact OE1-ND2 2.89Å; E31-N85 PolarHBondContact OE2-ND2 3.31Å; T83-N85 PolarHBondContact O-N 3.35Å; T83-N85 PolarHBondContact OG1-N 2.81Å
86	D	86.4	Confident	86.5	Confident	61 Å²	61	65.1 Å²	65.1	33%	0.326	35%	0.349	S	S	.	.	S	Bend	trans	-80	129.6	-176.2	-65.2	-68.7	0	0	0	111.9	L82 T83 W84 L88 T89 Q90	L82-D86 HydrophobicContact CD2-CB 4.49Å; T83-D86 WeakPolarHBondContact CA-OD2 3.22Å; T83-D86 WeakPolarHBondContact CB-OD2 3.41Å; T83-D86 PolarHBondContact N-OD2 3.49Å; T83-D86 PolarHBondContact O-N 2.92Å; T83-D86 PolarHBondContact OG1-OD2 2.95Å; W84-D86 VanDerWaalsContact C-N 3.31Å; D86-L88 PolarHBondContact O-N 2.83Å; D86-L88 VanDerWaalsContact O-N 3.15Å; D86-T89 WeakPolarHBondContact O-CB 3.42Å; D86-T89 PolarHBondContact O-N 3.3Å; D86-T89 VanDerWaalsContact O-N 3.09Å; D86-Q90 PolarHBondContact O-N 2.99Å
87	E	84.3	Confident	86.3	Confident	127 Å²	127	60.9 Å²	60.9	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-60	-27.3	179.4	-65.5	-70.4	135.7	0	0	112.1	R25 S91	R25-E87 IonicContact CZ-OE1 2.67Å; R25-E87 IonicContact NE-OE1 3.56Å; R25-E87 IonicContact NH2-OE1 2.67Å; R25-E87 PolarHBondContact NH2-OE1 2.9Å; E87-S91 VanDerWaalsContact O-CB 3.32Å; E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.24Å; E87-S91 PolarHBondContact O-OG 2.74Å
88	L	82.7	Confident	86	Confident	88 Å²	88	65.3 Å²	65.3	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-50.8	173.5	-176.1	56.4	0	0	0	111.3	L82 D86 Q90 S91 I92	L82-L88 HydrophobicContact CD1-CD2 3.8Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 HydrophobicContact CD2-CD2 4.39Å; D86-L88 PolarHBondContact O-N 2.83Å; D86-L88 VanDerWaalsContact O-N 3.15Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 2.75Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-OG 3.02Å; L88-I92 HydrophobicContact CD1-CD1 3.8Å; L88-I92 HydrophobicContact CD1-CG1 4.41Å; L88-I92 HydrophobicContact CG-CD1 3.98Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 2.74Å
89	T	87.7	Confident	86	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-54.6	-49.7	173.5	-55.2	0	0	0	0	111.1	L77 T83 W84 D86 S91 I92 I93	L77-T89 HydrophobicContact CD1-CG2 4.32Å; T83-T89 WeakPolarHBondContact O-CB 3.33Å; T83-T89 WeakPolarHBondContact O-CG2 3.28Å; T83-T89 PolarHBondContact O-OG1 2.83Å; W84-T89 HydrophobicContact CE3-CG2 4.24Å; D86-T89 WeakPolarHBondContact O-CB 3.42Å; D86-T89 PolarHBondContact O-N 3.3Å; D86-T89 VanDerWaalsContact O-N 3.09Å; T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.19Å; T89-I92 PolarHBondContact O-N 3.15Å; T89-I93 HydrophobicContact CG2-CG1 4.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.42Å; T89-I93 PolarHBondContact O-N 3.41Å
90	Q	89.6	Confident	85.7	Confident	11 Å²	11	60.1 Å²	60.1	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-39.7	178.7	-67.3	-67.1	-28.2	0	0	112	H26 W84 D86 L88 S94	H26-Q90 PolarHBondContact O-NE2 3.46Å; W84-Q90 PolarHBondContact O-NE2 3.31Å; D86-Q90 PolarHBondContact O-N 2.99Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 2.75Å; Q90-S94 VanDerWaalsContact O-CB 3.26Å; Q90-S94 WeakPolarHBondContact O-CB 3.4Å; Q90-S94 PolarHBondContact O-N 3.34Å; Q90-S94 PolarHBondContact O-OG 2.89Å
91	S	84.4	Confident	85.4	Confident	61 Å²	61	58.9 Å²	58.9	43%	0.427	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-33.9	176.7	78.1	0	0	0	0	113.6	E87 L88 T89 S94 R95	E87-S91 VanDerWaalsContact O-CB 3.32Å; E87-S91 WeakPolarHBondContact O-CB 3.43Å; E87-S91 PolarHBondContact O-N 3.24Å; E87-S91 PolarHBondContact O-OG 2.74Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-OG 3.02Å; T89-S91 VanDerWaalsContact C-N 3.33Å; T89-S91 PolarHBondContact O-N 3.19Å; S91-S94 PolarHBondContact O-OG 3.17Å; S91-R95 VanDerWaalsContact O-CB 3.28Å; S91-R95 WeakPolarHBondContact O-CB 3.37Å; S91-R95 PolarHBondContact O-N 2.99Å
92	I	87.6	Confident	85.1	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-78.4	-47.4	-179.6	-71.4	166.6	0	0	0	110.2	I73 L77 L88 T89 R95 E96	I73-I92 HydrophobicContact CG2-CG2 3.61Å; L77-I92 HydrophobicContact CD1-CG2 4.15Å; L77-I92 HydrophobicContact CD2-CD1 3.8Å; L88-I92 HydrophobicContact CD1-CD1 3.8Å; L88-I92 HydrophobicContact CD1-CG1 4.41Å; L88-I92 HydrophobicContact CG-CD1 3.98Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 2.74Å; T89-I92 PolarHBondContact O-N 3.15Å; I92-R95 WeakPolarHBondContact O-CB 3.4Å; I92-R95 PolarHBondContact O-N 2.86Å; I92-E96 PolarHBondContact O-N 2.71Å
93	I	88.9	Confident	84.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-47.2	178.3	-63.2	-62.9	0	0	0	111	H26 F47 L74 L77 W84 T89 R95 E96 L97	H26-I93 HydrophobicContact CB-CG2 4.17Å; F47-I93 HydrophobicContact CD2-CG2 4.03Å; F47-I93 HydrophobicContact CE2-CG2 4.14Å; L74-I93 HydrophobicContact CD2-CD1 3.77Å; L74-I93 HydrophobicContact CG-CD1 4.17Å; L77-I93 HydrophobicContact CD1-CD1 4.33Å; W84-I93 HydrophobicContact CH2-CG1 4.31Å; W84-I93 HydrophobicContact CZ3-CB 4.45Å; W84-I93 HydrophobicContact CZ3-CG1 3.96Å; W84-I93 HydrophobicContact CZ3-CG2 4.16Å; T89-I93 HydrophobicContact CG2-CG1 4.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.42Å; T89-I93 PolarHBondContact O-N 3.41Å; I93-R95 VanDerWaalsContact C-N 3.25Å; I93-R95 PolarHBondContact O-N 2.89Å; I93-E96 PolarHBondContact O-N 2.73Å; I93-E96 VanDerWaalsContact O-N 3.14Å; I93-L97 HydrophobicContact CG2-CD1 3.72Å; I93-L97 HydrophobicContact CG2-CG 4Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.44Å; I93-L97 PolarHBondContact O-N 2.7Å
94	S	86.1	Confident	82.8	Confident	43 Å²	43	64.1 Å²	64.1	30%	0.301	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-34	176.7	58.4	0	0	0	0	113	H26 Q90 S91 S98	H26-S94 WeakPolarHBondContact CE1-CB 3.11Å; Q90-S94 VanDerWaalsContact O-CB 3.26Å; Q90-S94 WeakPolarHBondContact O-CB 3.4Å; Q90-S94 PolarHBondContact O-N 3.34Å; Q90-S94 PolarHBondContact O-OG 2.89Å; S91-S94 PolarHBondContact O-OG 3.17Å; S94-S98 WeakPolarHBondContact O-CB 3.43Å; S94-S98 PolarHBondContact O-N 3.44Å
95	R	87	Confident	81.3	Confident	158 Å²	158	66.1 Å²	66.1	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-66.2	-42.7	174.1	-174.5	-179	-171.8	-166.5	3	112.4	S91 I92 I93 S98	S91-R95 VanDerWaalsContact O-CB 3.28Å; S91-R95 WeakPolarHBondContact O-CB 3.37Å; S91-R95 PolarHBondContact O-N 2.99Å; I92-R95 WeakPolarHBondContact O-CB 3.4Å; I92-R95 PolarHBondContact O-N 2.86Å; I93-R95 VanDerWaalsContact C-N 3.25Å; I93-R95 PolarHBondContact O-N 2.89Å; R95-S98 PolarHBondContact O-OG 3.05Å
96	E	87.4	Confident	79.5	Confident	24 Å²	24	68.1 Å²	68.1	11%	0.112	37%	0.367	C	S	.	.	H	α-helix	trans	-73.8	-39.2	178.5	-62.9	-57.8	143.3	0	0	112.1	L70 I73 I92 I93 S98 R99	L70-E96 HydrophobicContact CD2-CB 3.91Å; I73-E96 HydrophobicContact CD1-CG 3.62Å; I92-E96 PolarHBondContact O-N 2.71Å; I93-E96 PolarHBondContact O-N 2.73Å; I93-E96 VanDerWaalsContact O-N 3.14Å; E96-S98 VanDerWaalsContact C-N 3.26Å; E96-S98 PolarHBondContact O-N 3.06Å; E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 3.29Å; E96-R99 IonicContact OE1-CZ 3.7Å; E96-R99 IonicContact OE1-NH1 2.67Å; E96-R99 PolarHBondContact OE1-NH1 2.76Å; E96-R99 IonicContact OE1-NH2 2.69Å; E96-R99 IonicContact OE2-CZ 3.49Å; E96-R99 IonicContact OE2-NH1 3.49Å; E96-R99 PolarHBondContact OE2-NH1 3.44Å
97	L	84.7	Confident	77.2	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-32	173.6	-65.7	-179.9	0	0	0	112.8	H26 L46 F47 Y60 L70 I93 R99 V100	H26-L97 HydrophobicContact CB-CD1 4.28Å; H26-L97 WeakPolarHBondContact CD2-CD1 3.39Å; L46-L97 HydrophobicContact CD2-CD2 3.33Å; F47-L97 HydrophobicContact CD2-CD1 4.25Å; F47-L97 HydrophobicContact CD2-CD2 4.2Å; F47-L97 HydrophobicContact CE2-CD2 4.16Å; Y60-L97 HydrophobicContact CE1-CB 4.21Å; Y60-L97 HydrophobicContact CE2-CD1 4.48Å; L70-L97 HydrophobicContact CD1-CD2 4.49Å; I93-L97 HydrophobicContact CG2-CD1 3.72Å; I93-L97 HydrophobicContact CG2-CG 4Å; I93-L97 WeakPolarHBondContact O-CB 3.31Å; I93-L97 VanDerWaalsContact O-CG 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.44Å; I93-L97 PolarHBondContact O-N 2.7Å; L97-R99 PolarHBondContact O-N 3.33Å; L97-R99 VanDerWaalsContact O-N 3.09Å; L97-V100 PolarHBondContact O-N 3.02Å
98	S	81.7	Confident	74.8	Confident	97 Å²	97	73.9 Å²	73.9	68%	0.678	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-6	173.6	71	0	0	0	0	114.8	S94 R95 E96	S94-S98 WeakPolarHBondContact O-CB 3.43Å; S94-S98 PolarHBondContact O-N 3.44Å; R95-S98 PolarHBondContact O-OG 3.05Å; E96-S98 VanDerWaalsContact C-N 3.26Å; E96-S98 PolarHBondContact O-N 3.06Å
99	R	82.1	Confident	72.7	Confident	143 Å²	143	75.6 Å²	75.6	54%	0.54	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-7.5	172.3	-57.5	173.6	174.2	157.5	2	113.4	E96 L97	E96-R99 WeakPolarHBondContact O-CB 3.37Å; E96-R99 PolarHBondContact O-N 3.29Å; E96-R99 IonicContact OE1-CZ 3.7Å; E96-R99 IonicContact OE1-NH1 2.67Å; E96-R99 PolarHBondContact OE1-NH1 2.76Å; E96-R99 IonicContact OE1-NH2 2.69Å; E96-R99 IonicContact OE2-CZ 3.49Å; E96-R99 IonicContact OE2-NH1 3.49Å; E96-R99 PolarHBondContact OE2-NH1 3.44Å; L97-R99 PolarHBondContact O-N 3.33Å; L97-R99 VanDerWaalsContact O-N 3.09Å
100	V	83.4	Confident	70.4	Confident	11 Å²	11	82.6 Å²	82.6	7%	0.067	46%	0.455	C	S	.	.	S	Bend	trans	-91.7	127.8	-177.1	-173.9	0	0	0	0	109.4	Y60 V66 L97 T102	Y60-V100 HydrophobicContact CD1-CB 3.94Å; Y60-V100 HydrophobicContact CD1-CG1 4.06Å; Y60-V100 HydrophobicContact CG-CG1 4.44Å; V66-V100 HydrophobicContact CG1-CG1 4.22Å; V66-V100 HydrophobicContact CG1-CG2 3.61Å; L97-V100 PolarHBondContact O-N 3.02Å; V100-T102 PolarHBondContact O-N 3.03Å
101	P	79.3	Confident	67.5	Low	84 Å²	84	90.1 Å²	90.1	55%	0.545	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60	130.4	178.1	-23.9	34.3	0	0	0	112.1	R61	R61-P101 PolarHBondContact N-O 3.18Å
102	T	80.4	Confident	65	Low	85 Å²	85	94.6 Å²	94.6	52%	0.521	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.4	175.3	51.3	0	0	0	0	110.9	V58 R59 Y60 V100	V58-T102 HydrophobicContact CG1-CG2 3.47Å; V58-T102 VanDerWaalsContact CG1-CG2 3.47Å; R59-T102 WeakPolarHBondContact O-CA 3.42Å; Y60-T102 HydrophobicContact CD1-CG2 3.8Å; Y60-T102 HydrophobicContact CE1-CG2 3.74Å; V100-T102 PolarHBondContact O-N 3.03Å
103	T	70.2	Confident	62.5	Low	72 Å²	72	98.1 Å²	98.1	44%	0.442	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122	169.4	52.7	0	0	0	0	110.3	R59 R61	R59-T103 PolarHBondContact O-N 3.45Å; R59-T103 PolarHBondContact O-OG1 3.1Å; R61-T103 HydrophobicContact CB-CG2 4.34Å
104	D	56.5	Low	59.8	Low	118 Å²	118	106.5 Å²	106.5	63%	0.631	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-80	125.8	172.1	-155.4	-29.6	0	0	0	109.4	D106	D104-D106 VanDerWaalsContact C-N 3.31Å; D104-D106 PolarHBondContact O-N 3.35Å
105	P	53	Low	57.2	Low	87 Å²	87	113.5 Å²	113.5	57%	0.565	60%	0.604	S	S	*	*	S	Bend	trans	-77.8	-5.2	-175.6	30	-36.7	0	0	0	115.5	L107	P105-L107 PolarHBondContact O-N 2.86Å
106	D	45.1	Very low	54.5	Low	106 Å²	106	112.6 Å²	112.6	57%	0.567	61%	0.611	S	S	*	*			trans	-96.4	41.2	-173.6	-66.9	2.3	0	0	0	113.8	K56 D104	K56-D106 IonicContact NZ-OD1 3.57Å; K56-D106 PolarHBondContact NZ-OD1 3.27Å; K56-D106 IonicContact NZ-OD2 2.66Å; K56-D106 PolarHBondContact NZ-OD2 3.27Å; D104-D106 VanDerWaalsContact C-N 3.31Å; D104-D106 PolarHBondContact O-N 3.35Å
107	L	39.3	Very low	52	Low	154 Å²	154	117 Å²	117	81%	0.806	64%	0.642	S	S	*	*			trans	-123.4	108.6	172.2	-76.2	174.4	0	0	0	111.4	P105	P105-L107 PolarHBondContact O-N 2.86Å
108	D	33.8	Very low	49.7	Very low	154 Å²	154	122.7 Å²	122.7	82%	0.824	68%	0.679	S	S	*	*			trans	-65.9	135.8	177	-71.2	-56.6	0	0	0	112.2	D110	D108-D110 VanDerWaalsContact C-N 3.31Å; D108-D110 PolarHBondContact O-N 3.13Å
109	P	39.3	Very low	47.5	Very low	125 Å²	125	128.1 Å²	128.1	81%	0.812	69%	0.691	S	S	*	*	S	Bend	trans	-90	49.2	-179.1	38.2	-37.2	0	0	0	113.1
110	D	37.7	Very low	45.3	Very low	150 Å²	150	126.7 Å²	126.7	80%	0.802	70%	0.7	S	S	*	*			trans	-135.1	64.6	-179.5	-97.1	-41.9	0	0	0	111.8	D108	D108-D110 VanDerWaalsContact C-N 3.31Å; D108-D110 PolarHBondContact O-N 3.13Å
111	M	30.2	Very low	42.8	Very low	169 Å²	169	134 Å²	134	83%	0.833	74%	0.738	S	S	*	*			trans	-152.1	104.5	167.3	-88.7	-58.3	-55.2	0	0	110.7
112	D	32.2	Very low	40.5	Very low	156 Å²	156	138.1 Å²	138.1	83%	0.834	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-68.3	133.5	169.4	-75	-55.6	0	0	0	111.4
113	P	34.5	Very low	37.9	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-81	125.1	165.3	-9.2	26.8	0	0	0	111
114	E	32.8	Very low	36.4	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.3	164.8	-73.6	-169.9	95.1	0	0	111.1
115	E	31.1	Very low	35	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	79%	0.791	S	S	*	*			trans	-147.9	114.4	149.6	-137.5	175.7	-172.2	0	0	112
116	N	29.9	Very low	34.5	Very low	140 Å²	140	140.4 Å²	140.4	75%	0.749	80%	0.799	S	S	*	*			trans	-94.6	133.1	175.7	-90.7	-82.3	0	0	0	110.8
117	P	34.1	Very low	33.6	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	82%	0.815	S	S	*	*			trans	-118.3	154.1	135.6	-6.6	27.1	0	0	0	113.5
118	P	36.6	Very low	33	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	81%	0.811	S	S	*	*			trans	-88.1	155.8	-164.9	34.4	-37.4	0	0	0	116
119	K	35.3	Very low	32.6	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	81%	0.805	S	S	*	*			trans	-102.9	140.9	166.5	-73.6	-177.4	178	176.4	0	112.8
120	P	36.8	Very low	32.2	Very low	113 Å²	113	142.7 Å²	142.7	73%	0.734	81%	0.805	S	S	*	*			trans	-132.9	157.4	138.6	35.8	-24.1	0	0	0	111.7
121	L	29.9	Very low	31.7	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	80%	0.8	S	S	*	*			cis	-160	176.9	-11.1	-107.1	168.2	0	0	0	108.6
122	L	30.9	Very low	32.2	Very low	169 Å²	169	139 Å²	139	89%	0.885	79%	0.794	S	S	*	*			trans	-62.5	163.9	176.9	-81.1	55.4	0	0	0	112.8
123	G	27.1	Very low	31.8	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	80%	0.795	S	S	*	*			cis	169.3	-159.5	7.5	0	0	0	0	0	107.7
124	P	37.6	Very low	31.5	Very low	138 Å²	138	133.2 Å²	133.2	90%	0.896	79%	0.794	S	S	*	*			cis	-125.4	-161.7	-14.2	42.7	-24.8	0	0	0	113.6
125	A	27.5	Very low	31.4	Very low	92 Å²	92	131.3 Å²	131.3	76%	0.76	80%	0.797	S	S	*	*			trans	-114.7	-155.7	-175.7	0	0	0	0	0	112.3
126	P	42.1	Very low	31.3	Very low	111 Å²	111	126.8 Å²	126.8	72%	0.721	79%	0.792	S	S	*	*			cis	-136.8	176.3	-17.2	42.5	-26.2	0	0	0	115.7
127	Q	27.5	Very low	31.5	Very low	195 Å²	195	126.8 Å²	126.8	91%	0.911	79%	0.788	S	S	*	*			trans	-156	175.5	143.3	-76.6	-143.7	-4.6	0	0	110
128	T	25.5	Very low	31.7	Very low	117 Å²	117	126.3 Å²	126.3	72%	0.718	78%	0.784	S	S	*	*			trans	-145.2	129	-134.9	-57.7	0	0	0	0	116.9
129	E	25.1	Very low	32.1	Very low	152 Å²	152	128.1 Å²	128.1	71%	0.71	78%	0.782	S	S	*	*			trans	62.4	157.8	157.9	-67.5	-43.6	113.3	0	0	120.8	D131	E129-D131 PolarHBondContact OE2-N 2.62Å
130	P	32.5	Very low	32.4	Very low	123 Å²	123	126.2 Å²	126.2	80%	0.799	78%	0.781	S	S	*	*			cis	-130	157.3	15.9	41.3	-24.8	0	0	0	120.5
131	D	26.4	Very low	32.2	Very low	131 Å²	131	128.1 Å²	128.1	70%	0.701	78%	0.782	S	S	*	*			trans	-48.8	169	160.7	-164.4	52.5	0	0	0	116.9	E129	E129-D131 PolarHBondContact OE2-N 2.62Å
132	P	40	Very low	32.5	Very low	109 Å²	109	125.9 Å²	125.9	71%	0.708	77%	0.767	S	S	*	*			cis	-121.5	149.7	-18.1	18.8	2.3	0	0	0	114.7
133	G	24.7	Very low	32.7	Very low	82 Å²	82	126.6 Å²	126.6	85%	0.845	77%	0.766	S	S	*	*			trans	168.8	131.5	158.6	0	0	0	0	0	118.6
134	G	29.2	Very low	33	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	77%	0.772	S	S	*	*			trans	97.7	115.1	158.6	0	0	0	0	0	116.7
135	P	30.1	Very low	32.9	Very low	137 Å²	137	132.2 Å²	132.2	89%	0.89	76%	0.757	S	S	*	*			trans	-91.2	136.2	166.8	34.5	-30.7	0	0	0	112.3
136	A	28.1	Very low	33.1	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	76%	0.756	S	S	*	*			trans	-151.6	141.9	164.6	0	0	0	0	0	106
137	E	34.6	Very low	32.7	Very low	140 Å²	140	140 Å²	140	65%	0.654	76%	0.764	S	S	*	*			cis	-161.7	152.7	5.3	-162.5	156.9	-137.5	0	0	109.3	E139	E137-E139 HydrophobicContact CG-CG 4.12Å
138	P	38.4	Very low	33	Very low	104 Å²	104	137.1 Å²	137.1	68%	0.675	75%	0.754	S	S	*	*			trans	-110.7	71.3	169.2	37.5	-28.6	0	0	0	112.5	L140	P138-L140 VanDerWaalsContact C-N 3.25Å; P138-L140 PolarHBondContact O-N 3.42Å
139	E	45.3	Very low	33.4	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	72.1	173.4	-76.2	-158.2	114.8	0	0	113.3	E137	E137-E139 HydrophobicContact CG-CG 4.12Å
140	L	40.7	Very low	33.7	Very low	170 Å²	170	138.4 Å²	138.4	89%	0.89	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.5	7.4	148.5	-144.7	69.5	0	0	0	114.9	P138	P138-L140 VanDerWaalsContact C-N 3.25Å; P138-L140 PolarHBondContact O-N 3.42Å
141	M	33.3	Very low	33.6	Very low	154 Å²	154	139.8 Å²	139.8	76%	0.759	77%	0.766	S	S	*	*	S	Bend	trans	-122.7	11.5	-178	-159.8	145.5	60	0	0	114.3
142	Q	35.8	Very low	33.9	Very low	117 Å²	117	137.9 Å²	137.9	55%	0.547	76%	0.76	S	S	.	*	S	Bend	trans	-99.8	-34.5	-179.2	-147.5	153.5	-10	0	0	112.4	Y144 L145	Q142-Y144 PolarHBondContact O-N 3.21Å; Q142-L145 PolarHBondContact O-N 2.95Å
143	Q	36.2	Very low	33.2	Very low	185 Å²	185	143 Å²	143	86%	0.864	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-0.7	177.1	-153.4	175.8	37.6	0	0	114.6
144	Y	32.9	Very low	33.4	Very low	216 Å²	216	148.4 Å²	148.4	85%	0.847	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-0.5	174.9	-129.4	-87.7	0	0	0	113.6	Q142	Q142-Y144 PolarHBondContact O-N 3.21Å
145	L	35.1	Very low	33.5	Very low	109 Å²	109	153.5 Å²	153.5	57%	0.571	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-25.9	178.8	-84.9	164.6	0	0	0	113.5	Q142 Y147 L148	Q142-L145 PolarHBondContact O-N 2.95Å; L145-Y147 PolarHBondContact O-N 3.37Å; L145-L148 PolarHBondContact O-N 3.13Å; L145-L148 VanDerWaalsContact O-N 3.08Å
146	D	32.4	Very low	33.4	Very low	140 Å²	140	153.9 Å²	153.9	75%	0.749	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	6.1	179	-71.8	-19.9	0	0	0	115.3
147	Y	32.9	Very low	33.2	Very low	226 Å²	226	160.9 Å²	160.9	89%	0.886	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	5	171.8	-99.4	-77.8	0	0	0	113.9	L145	L145-Y147 PolarHBondContact O-N 3.37Å
148	L	33.1	Very low	32.9	Very low	135 Å²	135	158.5 Å²	158.5	71%	0.707	78%	0.783	S	S	*	*	S	Bend	trans	-131.6	134.1	175.8	-69.6	170.1	0	0	0	110.3	L145	L145-L148 PolarHBondContact O-N 3.13Å; L145-L148 VanDerWaalsContact O-N 3.08Å
149	V	35.7	Very low	32.3	Very low	124 Å²	124	157.3 Å²	157.3	75%	0.752	79%	0.79	S	S	*	*			trans	74	103.4	-176.9	-169	0	0	0	0	115.4
150	L	30	Very low	31.4	Very low	173 Å²	173	154.5 Å²	154.5	91%	0.906	79%	0.788	S	S	*	*			trans	-135.7	97.3	152.8	-90.7	178	0	0	0	109.3	P152	L150-P152 WeakPolarHBondContact O-CD 3.43Å
151	D	30.2	Very low	31.3	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	78%	0.784	S	S	*	*			trans	-86.2	129.8	168.9	-80.6	-46.2	0	0	0	111.5
152	P	32.4	Very low	31	Very low	90 Å²	90	153.8 Å²	153.8	58%	0.584	79%	0.789	S	S	*	*			trans	-112.3	134.7	155.1	38.1	-28.9	0	0	0	109.3	L150	L150-P152 WeakPolarHBondContact O-CD 3.43Å
153	Y	26.3	Very low	31.7	Very low	217 Å²	217	153.3 Å²	153.3	85%	0.851	80%	0.796	S	S	*	*			cis	-151.8	147.9	33.3	-75.4	-97.7	0	0	0	112.4
154	H	29.7	Very low	31.7	Very low	195 Å²	195	150 Å²	150	90%	0.903	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-103.5	134.7	148.5	-104.7	-69.2	0	0	0	110.6
155	Q	30.2	Very low	31.4	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.8	143.3	-179.6	-66.3	179.5	-7.6	0	0	112.2	R157	Q155-R157 PolarHBondContact O-N 3.37Å
156	V	27.4	Very low	31	Very low	146 Å²	146	145.9 Å²	145.9	89%	0.885	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.1	125.3	174	176.2	0	0	0	0	110.5
157	R	25.5	Very low	30.8	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	81%	0.809	S	S	*	*			trans	-115.6	106.7	171.8	-169.9	178.7	-168.8	166.9	4.9	110.3	Q155	Q155-R157 PolarHBondContact O-N 3.37Å
158	A	28.1	Very low	30.5	Very low	90 Å²	90	140.5 Å²	140.5	74%	0.744	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81	155.6	171	0	0	0	0	0	111.7
159	G	25.4	Very low	30.2	Very low	80 Å²	80	137.6 Å²	137.6	83%	0.825	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-85.7	172.8	-172.7	0	0	0	0	0	116.1
160	S	26.5	Very low	29.8	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.6	158.6	176.5	167.9	0	0	0	0	112.2
161	P	37.8	Very low	29.5	Very low	125 Å²	125	135.7 Å²	135.7	81%	0.812	81%	0.811	S	S	*	*				-127.7	-177.4	123.8	34.7	-25.5	0	0	0	113.7
162	H	27.4	Very low	29.9	Very low	184 Å²	184	133.7 Å²	133.7	85%	0.852	81%	0.806	S	S	*	*			trans	-95.9	177.2	-161.6	-101.6	-39.8	0	0	0	114.9
163	P	49.9	Very low	29.6	Very low	107 Å²	107	137 Å²	137	70%	0.695	82%	0.818	S	S	*	*			trans	-97.3	-177.1	-150	41.2	-40.1	0	0	0	115.5
164	P	36.2	Very low	29.5	Very low	117 Å²	117	132 Å²	132	76%	0.76	82%	0.815	S	S	*	*				-143.2	150.5	115.5	38.3	-25.9	0	0	0	116.9
165	V	26.6	Very low	29.4	Very low	148 Å²	148	128.8 Å²	128.8	90%	0.897	81%	0.809	S	S	*	*			trans	45.1	137.6	140.3	-172.6	0	0	0	0	121.2
166	A	28.3	Very low	29.3	Very low	90 Å²	90	126.9 Å²	126.9	74%	0.744	80%	0.804	S	S	*	*			trans	-93.1	163.8	-178.8	0	0	0	0	0	115.5
167	V	27.4	Very low	29.2	Very low	150 Å²	150	127.3 Å²	127.3	91%	0.909	80%	0.796	S	S	*	*			trans	-153.5	159.3	148.2	135.6	0	0	0	0	108.2
168	A	26.9	Very low	29.1	Very low	102 Å²	102	122.4 Å²	122.4	84%	0.843	79%	0.788	S	S	*	*			trans	-104.8	163.5	-169.1	0	0	0	0	0	114.5
169	G	25.9	Very low	29	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	80%	0.796	S	S	*	*			trans	160.6	111.7	159.6	0	0	0	0	0	118.2
170	A	27.3	Very low	29.2	Very low	106 Å²	106	131.2 Å²	131.2	88%	0.876	80%	0.798	S	S	*	*			trans	57	115.8	140.9	0	0	0	0	0	123
171	D	24.7	Very low	29.1	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	80%	0.803	S	S	*	*			trans	-67.9	167.8	136	-101.3	-50.2	0	0	0	110.7
172	P	38.7	Very low	28.5	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	80%	0.8	S	S	*	*			cis	-144.7	170.9	26.8	43.1	-24	0	0	0	119
173	L	25.9	Very low	28.4	Very low	160 Å²	160	134.9 Å²	134.9	84%	0.838	79%	0.793	S	S	*	*			trans	15.7	129.5	144.7	-75.3	151.6	0	0	0	121.2
174	S	24	Very low	27.2	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	80%	0.803	S	S	*	*				-179.5	172	116.4	47.2	0	0	0	0	114.5
175	V	27.2	Very low	26.7	Very low	128 Å²	128	140.8 Å²	140.8	78%	0.776	80%	0.803	S	S	*	*			trans	78.1	80.5	166.7	-161.4	0	0	0	0	119.2
176	L	27	Very low	26.6	Very low	143 Å²	143	141.9 Å²	141.9	75%	0.749	80%	0.803	S	S	*	*			trans	-2.2	133.1	135.6	-78.3	101.3	0	0	0	121.6
177	Q	25.5	Very low	26.5	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	81%	0.811	S	S	*	*				84.1	145.2	116.4	-167.2	173.3	24	0	0	121.5
178	N	24.7	Very low	26.3	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	80%	0.802	S	S	*	*			trans	62.9	124.8	177.2	-63.7	-18.4	0	0	0	114.9
179	Q	26	Very low	26.4	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	80%	0.797	S	S	*	*			cis	-139.2	143.7	47	-76.4	168.5	-28.5	0	0	113.5
180	N	28.9	Very low	26.3	Very low	160 Å²	160	150 Å²	150	86%	0.856	79%	0.794	S	S	*	*			trans	-106.5	165.7	156.9	-160.6	-3.2	0	0	0	107.3
181	Q	24.6	Very low	26.2	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	80%	0.797	S	S	*	*			trans	67.8	101.1	171.8	-175	177.4	-10.3	0	0	116.6
182	E	24.7	Very low	26.2	Very low	158 Å²	158	154.5 Å²	154.5	74%	0.738	80%	0.797	S	S	*	*				-157.1	147.6	115	-104.1	-164.6	121.3	0	0	112.9
183	Q	25.6	Very low	26.5	Very low	152 Å²	152	153.5 Å²	153.5	71%	0.71	79%	0.791	S	S	*	*			trans	30.1	122.3	153.8	-46.5	-175.4	29.5	0	0	118.8
184	R	25.1	Very low	26.5	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	80%	0.795	S	S	*	*			cis	59	53.3	29.8	-151.6	-167.6	-170.6	-167.2	2.8	115.8
185	S	25.8	Very low	26.7	Very low	106 Å²	106	155.1 Å²	155.1	74%	0.741	79%	0.79	S	S	*	*			trans	-168.4	126.6	143	-87.5	0	0	0	0	113.3
186	L	25.1	Very low	26.8	Very low	172 Å²	172	158.2 Å²	158.2	90%	0.901	80%	0.796	S	S	*	*				175.3	115.9	126.3	-96.2	165.4	0	0	0	110.9
187	K	26.1	Very low	27	Very low	210 Å²	210	162 Å²	162	91%	0.913	80%	0.8	S	S	*	*			trans	-114.7	126.5	153	-82.7	-173.6	174	-175.1	0	106.5
188	S	23.4	Very low	27.1	Very low	103 Å²	103	157.9 Å²	157.9	72%	0.72	80%	0.799	S	S	*	*			trans	-177.8	109	143.1	-172.4	0	0	0	0	112.1
189	L	27	Very low	27.5	Very low	141 Å²	141	158.6 Å²	158.6	74%	0.738	80%	0.803	S	S	*	*			trans	44.4	134.9	133.6	-63.2	170	0	0	0	123.1
190	D	24.8	Very low	28.2	Very low	132 Å²	132	152.9 Å²	152.9	71%	0.706	79%	0.789	S	S	*	*			trans	68.3	105.8	136.6	-56.9	-17.6	0	0	0	122.1
191	Q	25.6	Very low	28.7	Very low	202 Å²	202	152.4 Å²	152.4	94%	0.944	79%	0.785	S	S	*	*				-148.1	144.1	117.3	-120	156.2	93.8	0	0	112.9
192	N	24.9	Very low	29.6	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	77%	0.772	S	S	*	*			trans	-161.6	165.3	-170.9	-152.2	12.2	0	0	0	106.1
193	P	45	Very low	30.4	Very low	88 Å²	88	150.5 Å²	150.5	57%	0.571	77%	0.772	S	S	*	*			cis	-128	-176.5	-16.5	41.8	-27.5	0	0	0	113.3
194	T	26.1	Very low	31	Very low	152 Å²	152	148.6 Å²	148.6	93%	0.933	77%	0.766	S	S	*	*			trans	-141.8	154.9	140.8	-2.2	0	0	0	0	110
195	F	28.2	Very low	31.8	Very low	154 Å²	154	145.7 Å²	145.7	68%	0.675	76%	0.755	S	S	*	*			trans	-145.7	129.8	-142.2	-171.8	-80	0	0	0	114.8	R197	F195-R197 HydrophobicContact CE1-CB 4.4Å; F195-R197 HydrophobicContact CE1-CG 4.16Å
196	Q	29.6	Very low	32.8	Very low	192 Å²	192	146 Å²	146	90%	0.897	75%	0.748	S	S	*	*			trans	-176.5	156.8	152.5	-110.2	161.9	87.7	0	0	112.1
197	R	30.2	Very low	33.8	Very low	224 Å²	224	142.5 Å²	142.5	85%	0.845	73%	0.729	S	S	*	*				-159.2	128.7	-59.7	-170	175.4	-167.2	167.4	4	109.2	F195	F195-R197 HydrophobicContact CE1-CB 4.4Å; F195-R197 HydrophobicContact CE1-CG 4.16Å
198	G	27.6	Very low	34.5	Very low	67 Å²	67	137.9 Å²	137.9	69%	0.691	71%	0.714	S	S	*	*			trans	123	139.2	-179.4	0	0	0	0	0	110.5
199	D	33.9	Very low	35.4	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	71%	0.709	S	S	*	*			cis	-113.6	161.9	-0.1	-77.4	-57.5	0	0	0	113
200	A	40.5	Very low	36.1	Very low	74 Å²	74	137.5 Å²	137.5	61%	0.612	70%	0.701	S	S	*	*			trans	-103.2	-24.5	-174.1	0	0	0	0	0	114.7
201	L	39.1	Very low	36.8	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	70%	0.695	S	S	*	*	H	α-helix	trans	-74.6	-35.9	-168	-80.2	163.4	0	0	0	114.5	R203 R205	L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 2.71Å; L201-R205 PolarHBondContact O-N 2.87Å
202	D	44	Very low	37.4	Very low	103 Å²	103	131.4 Å²	131.4	55%	0.551	67%	0.673	S	S	*	*	H	α-helix	trans	-71.3	-23.9	178.5	-71	-52.6	0	0	0	113.1	R205 L206	D202-R205 PolarHBondContact O-N 2.83Å; D202-L206 WeakPolarHBondContact O-CG 3.41Å; D202-L206 PolarHBondContact O-N 2.87Å
203	R	40.9	Very low	38.1	Very low	193 Å²	193	127 Å²	127	73%	0.728	66%	0.655	S	S	*	*	H	α-helix	trans	-69.4	-43.2	-178.2	-139.4	177.9	-161.3	170.8	6.9	111.9	L201 R205 L206 L207	L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 2.71Å; R203-R205 VanDerWaalsContact C-N 3.32Å; R203-L206 PolarHBondContact O-N 3.24Å; R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 WeakPolarHBondContact O-CG 3.26Å; R203-L207 PolarHBondContact O-N 2.82Å
204	D	37.8	Very low	37.8	Very low	111 Å²	111	128 Å²	128	59%	0.594	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-33.9	175.4	-70.3	-7.3	0	0	0	111.1	L207 L208	D204-L207 PolarHBondContact O-N 2.83Å; D204-L208 WeakPolarHBondContact O-CB 3.46Å; D204-L208 PolarHBondContact O-N 3.17Å
205	R	42.4	Very low	38.3	Very low	181 Å²	181	129.9 Å²	129.9	68%	0.683	65%	0.646	S	S	*	*	H	α-helix	trans	-66.8	-41.1	176.5	-164.9	177.6	-174.4	-173.9	1.3	112.7	L201 D202 R203 L208 Q209	L201-R205 PolarHBondContact O-N 2.87Å; D202-R205 PolarHBondContact O-N 2.83Å; R203-R205 VanDerWaalsContact C-N 3.32Å; R205-L208 PolarHBondContact O-N 2.88Å; R205-Q209 PolarHBondContact O-N 2.87Å
206	L	46.9	Very low	38.7	Very low	112 Å²	112	129.4 Å²	129.4	59%	0.586	65%	0.65	S	S	*	*	H	α-helix	trans	-67	-44.9	173.2	-78.4	163.1	0	0	0	111.7	D202 R203 L208 Q209 D210	D202-L206 WeakPolarHBondContact O-CG 3.41Å; D202-L206 PolarHBondContact O-N 2.87Å; R203-L206 PolarHBondContact O-N 3.24Å; L206-L208 VanDerWaalsContact C-N 3.27Å; L206-L208 PolarHBondContact O-N 3.41Å; L206-Q209 PolarHBondContact O-N 3.41Å; L206-Q209 VanDerWaalsContact O-N 3.16Å; L206-D210 PolarHBondContact O-N 3.26Å
207	L	45.8	Very low	39	Very low	98 Å²	98	124.7 Å²	124.7	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-61.2	-34.4	175.7	-76.3	167.9	0	0	0	112.5	R203 D204 L211	R203-L207 WeakPolarHBondContact O-CB 3.45Å; R203-L207 WeakPolarHBondContact O-CG 3.26Å; R203-L207 PolarHBondContact O-N 2.82Å; D204-L207 PolarHBondContact O-N 2.83Å; L207-L211 WeakPolarHBondContact O-CB 3.12Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.36Å
208	L	41.5	Very low	39	Very low	114 Å²	114	117.6 Å²	117.6	60%	0.597	62%	0.623	S	S	*	*	H	α-helix	trans	-69.3	-36.3	175.7	-153.4	78.1	0	0	0	112.4	D204 R205 L206 L212	D204-L208 WeakPolarHBondContact O-CB 3.46Å; D204-L208 PolarHBondContact O-N 3.17Å; R205-L208 PolarHBondContact O-N 2.88Å; L206-L208 VanDerWaalsContact C-N 3.27Å; L206-L208 PolarHBondContact O-N 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.08Å; L208-L212 PolarHBondContact O-N 2.79Å
209	Q	42.8	Very low	39	Very low	131 Å²	131	120.1 Å²	120.1	61%	0.612	63%	0.63	S	S	*	*	H	α-helix	trans	-67.1	-43.4	173.3	-83	-175.5	-29.5	0	0	112.1	R205 L206 L212 S213	R205-Q209 PolarHBondContact O-N 2.87Å; L206-Q209 PolarHBondContact O-N 3.41Å; L206-Q209 VanDerWaalsContact O-N 3.16Å; Q209-L212 WeakPolarHBondContact O-CB 3.19Å; Q209-L212 PolarHBondContact O-N 3.43Å; Q209-S213 PolarHBondContact O-N 3.33Å; Q209-S213 PolarHBondContact O-OG 3.16Å
210	D	41.1	Very low	39	Very low	105 Å²	105	118.1 Å²	118.1	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-71.6	-32.5	-178.4	-143	33.7	0	0	0	112	L206 S213 L214	L206-D210 PolarHBondContact O-N 3.26Å; D210-S213 WeakPolarHBondContact CA-OG 3.33Å; D210-S213 PolarHBondContact O-OG 3.44Å; D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 WeakPolarHBondContact O-CD1 3.17Å; D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 3.07Å; D210-L214 VanDerWaalsContact O-N 3.13Å
211	L	39	Very low	38.4	Very low	110 Å²	110	119.6 Å²	119.6	58%	0.576	64%	0.637	S	S	*	*	H	α-helix	trans	-67.8	-36.7	168.1	-76.5	169.3	0	0	0	112.4	L207 Y215	L207-L211 WeakPolarHBondContact O-CB 3.12Å; L207-L211 VanDerWaalsContact O-CG 3.32Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.36Å; L211-Y215 WeakPolarHBondContact O-CB 3.38Å; L211-Y215 PolarHBondContact O-N 3.43Å
212	L	38.9	Very low	37.9	Very low	95 Å²	95	120 Å²	120	50%	0.497	64%	0.64	S	S	.	*	H	α-helix	trans	-67.3	-41.2	176	-91.3	161.7	0	0	0	112.5	L208 Q209 Y215 L216	L208-L212 WeakPolarHBondContact O-CB 3.08Å; L208-L212 PolarHBondContact O-N 2.79Å; Q209-L212 WeakPolarHBondContact O-CB 3.19Å; Q209-L212 PolarHBondContact O-N 3.43Å; L212-Y215 PolarHBondContact O-N 2.92Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 VanDerWaalsContact O-CG 3.26Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.48Å
213	S	38.3	Very low	37.7	Very low	60 Å²	60	120.1 Å²	120.1	42%	0.42	65%	0.646	S	S	.	*	H	α-helix	trans	-66.7	-36.8	175.7	59.5	0	0	0	0	112.2	Q209 D210 S217	Q209-S213 PolarHBondContact O-N 3.33Å; Q209-S213 PolarHBondContact O-OG 3.16Å; D210-S213 WeakPolarHBondContact CA-OG 3.33Å; D210-S213 PolarHBondContact O-OG 3.44Å; S213-S217 WeakPolarHBondContact O-CB 3.4Å; S213-S217 PolarHBondContact O-N 3.31Å; S213-S217 PolarHBondContact O-OG 3.04Å
214	L	39.5	Very low	37	Very low	108 Å²	108	122.3 Å²	122.3	57%	0.565	65%	0.654	S	S	*	*	H	α-helix	trans	-67.9	-38.3	172.2	-74.6	168.1	0	0	0	112.9	D210 S217	D210-L214 WeakPolarHBondContact O-CB 3.46Å; D210-L214 WeakPolarHBondContact O-CD1 3.17Å; D210-L214 WeakPolarHBondContact O-CG 3.46Å; D210-L214 PolarHBondContact O-N 3.07Å; D210-L214 VanDerWaalsContact O-N 3.13Å; L214-S217 PolarHBondContact O-OG 3.03Å
215	Y	35.5	Very low	36.6	Very low	191 Å²	191	124.9 Å²	124.9	75%	0.749	66%	0.662	S	S	*	*	H	α-helix	trans	-72.7	-35	178.6	-140.7	-91.9	0	0	0	112.8	L211 L212 S218	L211-Y215 WeakPolarHBondContact O-CB 3.38Å; L211-Y215 PolarHBondContact O-N 3.43Å; L212-Y215 PolarHBondContact O-N 2.92Å; Y215-S218 PolarHBondContact O-OG 3.45Å
216	L	37.3	Very low	35.9	Very low	145 Å²	145	127.8 Å²	127.8	76%	0.759	67%	0.673	S	S	*	*	H	α-helix	trans	-80.5	-16.3	179.9	-69.7	169.9	0	0	0	113.7	L212	L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 VanDerWaalsContact O-CG 3.26Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.48Å
217	S	35.8	Very low	34.9	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-6.7	175.2	51.9	0	0	0	0	113.8	S213 L214	S213-S217 WeakPolarHBondContact O-CB 3.4Å; S213-S217 PolarHBondContact O-N 3.31Å; S213-S217 PolarHBondContact O-OG 3.04Å; L214-S217 PolarHBondContact O-OG 3.03Å
218	S	29.8	Very low	33.9	Very low	75 Å²	75	126.1 Å²	126.1	52%	0.524	70%	0.697	S	S	.	*			trans	-103.7	98.5	-179.7	62.1	0	0	0	0	113.7	Y215	Y215-S218 PolarHBondContact O-OG 3.45Å
219	S	28.5	Very low	33.8	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-99.8	136	158	-78.9	0	0	0	0	110.6
220	P	33	Very low	33	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-88.5	125.5	-161.9	32.6	-35.5	0	0	0	114.3	L222	P220-L222 HydrophobicContact CB-CD1 4.42Å
221	A	28.8	Very low	32.3	Very low	105 Å²	105	125.4 Å²	125.4	87%	0.868	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-84.1	124.5	156.3	0	0	0	0	0	109.6
222	L	27.8	Very low	31.6	Very low	159 Å²	159	124.1 Å²	124.1	83%	0.832	75%	0.747	S	S	*	*			trans	-118	148	173.3	-112.2	114	0	0	0	111.7	P220	P220-L222 HydrophobicContact CB-CD1 4.42Å
223	P	39.5	Very low	30.9	Very low	104 Å²	104	125.2 Å²	125.2	68%	0.675	76%	0.763	S	S	*	*			trans	-119.2	164.3	-156.2	40.7	-29.7	0	0	0	115.1
224	R	27.3	Very low	30.4	Very low	239 Å²	239	127.3 Å²	127.3	90%	0.902	78%	0.778	S	S	*	*			trans	-166	116.7	135.8	-111.5	159.8	-175.5	164	2.1	116.9
225	H	28.9	Very low	29.8	Very low	166 Å²	166	130.2 Å²	130.2	77%	0.769	79%	0.793	S	S	*	*			trans	12.7	120.9	142.3	-68.5	-62.9	0	0	0	122.8
226	R	28.6	Very low	29.6	Very low	242 Å²	242	127.8 Å²	127.8	91%	0.913	79%	0.792	S	S	*	*				74.8	110.7	107.3	-159.8	-172.7	-148.4	173.2	6.4	119.2
227	G	24.6	Very low	29.6	Very low	80 Å²	80	126.9 Å²	126.9	83%	0.825	80%	0.795	S	S	*	*			trans	-163.4	127.9	161.9	0	0	0	0	0	113.4
228	A	25.9	Very low	29.1	Very low	95 Å²	95	128 Å²	128	79%	0.785	79%	0.793	S	S	*	*			trans	-158.9	156.9	171.1	0	0	0	0	0	106.1
229	P	39.4	Very low	29.1	Very low	130 Å²	130	131.1 Å²	131.1	84%	0.844	80%	0.803	S	S	*	*			cis	-104.2	-152.1	24.6	31.3	-11.4	0	0	0	110.8
230	A	24.6	Very low	28.9	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	80%	0.798	S	S	*	*			cis	-155.9	-160.4	17.7	0	0	0	0	0	114.9
231	A	27	Very low	28.6	Very low	108 Å²	108	133 Å²	133	89%	0.893	80%	0.797	S	S	*	*			trans	-76.7	150	-166.9	0	0	0	0	0	115.8
232	G	24.5	Very low	28.9	Very low	83 Å²	83	133.4 Å²	133.4	86%	0.856	79%	0.79	S	S	*	*			trans	-173.4	125.6	165.2	0	0	0	0	0	110.4
233	S	25.1	Very low	29.1	Very low	118 Å²	118	134 Å²	134	83%	0.825	79%	0.794	S	S	*	*			trans	-126.4	125.2	177.6	176	0	0	0	0	109.7
234	S	26.6	Very low	28.5	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	80%	0.797	S	S	*	*			trans	177.1	144.3	147.6	29.9	0	0	0	0	113.9
235	L	27.7	Very low	28.4	Very low	169 Å²	169	134.8 Å²	134.8	89%	0.885	80%	0.795	S	S	*	*			trans	71	119.4	148.3	-66.1	162	0	0	0	121.5
236	L	30.7	Very low	28.3	Very low	139 Å²	139	132.5 Å²	132.5	73%	0.728	79%	0.789	S	S	*	*			trans	-70.9	162.2	148.3	-116.8	84.8	0	0	0	109.8	D238	L236-D238 HydrophobicContact CD2-CB 4.37Å
237	P	37.4	Very low	28.3	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	78%	0.78	S	S	*	*				-136.7	-173.1	60.4	23.6	0.3	0	0	0	114.4
238	D	25.3	Very low	28.4	Very low	117 Å²	117	130.8 Å²	130.8	63%	0.626	77%	0.774	S	S	*	*			cis	172.3	149.8	-35.1	-170	13.8	0	0	0	106.4	L236	L236-D238 HydrophobicContact CD2-CB 4.37Å
239	L	29.8	Very low	28.3	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	77%	0.773	S	S	*	*			trans	61.8	165.4	174.8	-59.4	123.8	0	0	0	119.7
240	D	23.9	Very low	27.6	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	77%	0.767	S	S	*	*			cis	-175.3	173.8	-41.9	-160	-0.7	0	0	0	110
241	I	27.1	Very low	27.6	Very low	140 Å²	140	135.7 Å²	135.7	72%	0.718	76%	0.76	S	S	*	*			trans	68.8	171	160.7	-2.8	-177.8	0	0	0	117.4
242	P	35.4	Very low	27.6	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	76%	0.756	S	S	*	*				-127.7	-175.7	-98.2	44.1	-29.2	0	0	0	117
243	L	31.5	Very low	27.6	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	75%	0.754	S	S	*	*			trans	-61.1	127.3	154.3	-66.1	162.9	0	0	0	112
244	D	28	Very low	28.3	Very low	140 Å²	140	141 Å²	141	75%	0.749	74%	0.744	S	S	*	*				-168.4	135.3	128.9	-156.3	-2	0	0	0	110.3
245	Y	25.8	Very low	28.2	Very low	218 Å²	218	144.7 Å²	144.7	86%	0.855	75%	0.75	S	S	*	*				179.1	162.4	124	-119.7	-95.6	0	0	0	113
246	N	26.8	Very low	28.1	Very low	119 Å²	119	144.3 Å²	144.3	64%	0.636	75%	0.748	S	S	*	*			trans	-129.1	141.4	-175.3	-154.6	-7.1	0	0	0	111.1
247	Q	28	Very low	27.8	Very low	155 Å²	155	147.2 Å²	147.2	72%	0.724	76%	0.755	S	S	*	*			trans	63	127.4	158.2	-82.5	167.9	-17.7	0	0	122.7
248	D	25.7	Very low	27.1	Very low	131 Å²	131	150.9 Å²	150.9	70%	0.701	76%	0.758	S	S	*	*				97.5	126.9	126	-73.6	4.9	0	0	0	124.9
249	Y	24.8	Very low	27.2	Very low	199 Å²	199	154.8 Å²	154.8	78%	0.78	77%	0.772	S	S	*	*			trans	80.6	110.3	144.7	-94.1	-99.5	0	0	0	124.2
250	N	24.7	Very low	27	Very low	133 Å²	133	157.4 Å²	157.4	71%	0.711	78%	0.781	S	S	*	*			trans	55.3	129.5	135.5	-81.2	0	0	0	0	124.9
251	S	24.8	Very low	27.2	Very low	93 Å²	93	158.8 Å²	158.8	65%	0.65	79%	0.787	S	S	*	*			trans	86	114.9	133.3	-67.8	0	0	0	0	122.8
252	Q	26	Very low	27.4	Very low	172 Å²	172	158.7 Å²	158.7	80%	0.804	79%	0.788	S	S	*	*			trans	76.5	99.4	136.6	-62.6	-179.1	-79.5	0	0	121.2
253	D	25.6	Very low	27.2	Very low	153 Å²	153	160.1 Å²	160.1	82%	0.818	79%	0.794	S	S	*	*				61.6	161.7	125.9	-95.3	-39.5	0	0	0	121.9
254	P	39.2	Very low	27.2	Very low	95 Å²	95	159.1 Å²	159.1	62%	0.617	79%	0.789	S	S	*	*			cis	-132.9	179.7	-18.4	41	-26	0	0	0	114
255	Q	23.8	Very low	27.6	Very low	182 Å²	182	157.2 Å²	157.2	85%	0.85	79%	0.787	S	S	*	*			trans	64.7	130.5	166	-62.4	179.8	-16.9	0	0	115.9
256	L	25.3	Very low	28.3	Very low	161 Å²	161	150 Å²	150	84%	0.843	78%	0.779	S	S	*	*				-152.1	127.5	52.1	-164.1	74	0	0	0	112.3
257	K	24.1	Very low	28.9	Very low	200 Å²	200	150.4 Å²	150.4	87%	0.87	78%	0.781	S	S	*	*			trans	-73.5	141.4	162.4	-74.8	-172.2	174.4	-171.5	0	109.7
258	K	23.6	Very low	30.2	Very low	202 Å²	202	148.8 Å²	148.8	88%	0.878	78%	0.777	S	S	*	*				168.4	78.1	126.7	-173.3	-175.6	-179.4	-177.1	0	112.7
259	Q	26.4	Very low	31.2	Very low	199 Å²	199	144.5 Å²	144.5	93%	0.93	76%	0.764	S	S	*	*			trans	-157.4	62.5	148.9	-150.8	154.3	-4.9	0	0	113.9
260	E	26	Very low	32.3	Very low	196 Å²	196	145.3 Å²	145.3	92%	0.916	77%	0.765	S	S	*	*			trans	-109.9	145.2	152.5	-74.5	-175.6	117.7	0	0	108.9
261	L	29.4	Very low	33.3	Very low	161 Å²	161	142 Å²	142	84%	0.843	75%	0.752	S	S	*	*			trans	115.1	59	169.3	-157.9	78.2	0	0	0	116
262	D	29.6	Very low	34.3	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	75%	0.747	S	S	*	*			trans	-154.4	41.8	160.2	-139	-13.7	0	0	0	115.2
263	V	31.8	Very low	34.9	Very low	142 Å²	142	143.8 Å²	143.8	86%	0.861	75%	0.745	S	S	*	*	S	Bend	trans	-136.7	44.4	172.5	-158.1	0	0	0	0	112.1
264	L	32.8	Very low	35.7	Very low	152 Å²	152	146.3 Å²	146.3	80%	0.796	74%	0.743	S	S	*	*			trans	-122.2	1.4	166.2	-72.3	175.8	0	0	0	112.9	G266	L264-G266 PolarHBondContact O-N 3.08Å; L264-G266 VanDerWaalsContact O-N 3.1Å
265	S	35.7	Very low	35.9	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	43.6	-178.9	36.4	0	0	0	0	112.8
266	G	41	Very low	36.5	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.2	15.6	-169	0	0	0	0	0	119.2	L264	L264-G266 PolarHBondContact O-N 3.08Å; L264-G266 VanDerWaalsContact O-N 3.1Å
267	L	39.3	Very low	37.2	Very low	127 Å²	127	140.7 Å²	140.7	67%	0.665	72%	0.719	S	S	*	*			trans	-121.5	129.2	-179.6	-69.4	175.1	0	0	0	113.2
268	D	53.9	Low	37.9	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	72%	0.716	S	S	*	*			trans	-80.9	152.5	-172.1	-177.4	33.3	0	0	0	114	R270 S271	D268-R270 PolarHBondContact O-N 3.31Å; D268-S271 PolarHBondContact O-N 3.06Å
269	G	47	Very low	38.7	Very low	41 Å²	41	135.3 Å²	135.3	42%	0.423	71%	0.708	S	S	.	*	H	α-helix	trans	-64.6	-9.9	-165.8	0	0	0	0	0	116.5
270	R	48.9	Very low	38.9	Very low	216 Å²	216	133 Å²	133	82%	0.815	70%	0.702	S	S	*	*	H	α-helix	trans	-82.4	-26.2	171.5	-68.1	-173.8	178	-166.8	-0.1	113.2	D268	D268-R270 PolarHBondContact O-N 3.31Å
271	S	45.7	Very low	39.3	Very low	62 Å²	62	126.9 Å²	126.9	43%	0.434	69%	0.691	S	S	.	*	H	α-helix	trans	-74.4	-41.9	177	-60.5	0	0	0	0	111.4	D268 R273 R274 L275	D268-S271 PolarHBondContact O-N 3.06Å; S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.95Å; S271-R274 PolarHBondContact O-N 2.89Å; S271-L275 PolarHBondContact O-N 2.91Å
272	L	44.6	Very low	39.3	Very low	103 Å²	103	127.2 Å²	127.2	54%	0.539	69%	0.693	S	S	.	*	H	α-helix	trans	-59.1	-35.8	176.8	-71.1	168.4	0	0	0	112.7	R274 L275 S276	L272-R274 VanDerWaalsContact C-N 3.27Å; L272-R274 PolarHBondContact O-N 2.88Å; L272-L275 PolarHBondContact O-N 2.82Å; L272-S276 WeakPolarHBondContact O-CB 3.46Å; L272-S276 PolarHBondContact O-N 2.8Å
273	R	39.7	Very low	39.1	Very low	201 Å²	201	128 Å²	128	76%	0.758	70%	0.697	S	S	*	*	H	α-helix	trans	-69.9	-16.1	175.4	-77.1	-170.8	173.8	-168.3	-1.8	114.9	S271	S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.95Å
274	R	41.7	Very low	39	Very low	206 Å²	206	126.7 Å²	126.7	78%	0.777	69%	0.692	S	S	*	*	H	α-helix	trans	-87.7	-37	170.4	-79.6	-176.7	167.7	176	-5	112.2	S271 L272 S276 L277	S271-R274 PolarHBondContact O-N 2.89Å; L272-R274 VanDerWaalsContact C-N 3.27Å; L272-R274 PolarHBondContact O-N 2.88Å; R274-S276 VanDerWaalsContact C-N 3.28Å; R274-S276 PolarHBondContact O-N 3.22Å; R274-L277 PolarHBondContact O-N 2.8Å
275	L	42.7	Very low	38.7	Very low	101 Å²	101	124.8 Å²	124.8	53%	0.529	69%	0.691	S	S	.	*	H	α-helix	trans	-60.2	-39.6	170.2	-80	158.8	0	0	0	111.8	S271 L272 L277 L278	S271-L275 PolarHBondContact O-N 2.91Å; L272-L275 PolarHBondContact O-N 2.82Å; L275-L277 PolarHBondContact O-N 2.88Å; L275-L277 VanDerWaalsContact O-N 3.11Å; L275-L278 PolarHBondContact O-N 3.29Å
276	S	37.4	Very low	38.3	Very low	77 Å²	77	125 Å²	125	54%	0.538	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.4	-10.4	178	-171	0	0	0	0	115.7	L272 R274	L272-S276 WeakPolarHBondContact O-CB 3.46Å; L272-S276 PolarHBondContact O-N 2.8Å; R274-S276 VanDerWaalsContact C-N 3.28Å; R274-S276 PolarHBondContact O-N 3.22Å
277	L	40.7	Very low	37.5	Very low	141 Å²	141	127.4 Å²	127.4	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	2.7	-178.3	-78.5	170.2	0	0	0	113.7	R274 L275	R274-L277 PolarHBondContact O-N 2.8Å; L275-L277 PolarHBondContact O-N 2.88Å; L275-L277 VanDerWaalsContact O-N 3.11Å
278	L	39	Very low	36.8	Very low	154 Å²	154	132.5 Å²	132.5	81%	0.806	71%	0.71	S	S	*	*	S	Bend	trans	-118.3	5.4	179.7	-73.8	169.3	0	0	0	113.3	L275	L275-L278 PolarHBondContact O-N 3.29Å
279	L	39.4	Very low	35.4	Very low	136 Å²	136	136.3 Å²	136.3	71%	0.712	72%	0.724	S	S	*	*			trans	-127.5	-3.3	-176.5	-70	172.6	0	0	0	114.7	G281	L279-G281 PolarHBondContact O-N 3.08Å
280	D	29.8	Very low	34.3	Very low	149 Å²	149	140.5 Å²	140.5	80%	0.797	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	89.5	169.3	-81.6	-16.3	0	0	0	109.6
281	G	35.6	Very low	33.2	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.3	-16.2	-178.5	0	0	0	0	0	117.4	L279	L279-G281 PolarHBondContact O-N 3.08Å
282	L	28.8	Very low	32.1	Very low	169 Å²	169	142.7 Å²	142.7	89%	0.885	74%	0.741	S	S	*	*			trans	-140.1	121.3	176.3	-70.5	175	0	0	0	110.9
283	D	25.4	Very low	31.1	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	75%	0.749	S	S	*	*			trans	-85.2	120.8	-178.7	-176.4	16.3	0	0	0	111.5
284	P	30.3	Very low	30.2	Very low	115 Å²	115	141.7 Å²	141.7	75%	0.747	75%	0.751	S	S	*	*			trans	-94.6	126.9	-177	34.8	-31.7	0	0	0	113.3
285	S	25.5	Very low	29.3	Very low	112 Å²	112	137 Å²	137	78%	0.783	75%	0.75	S	S	*	*			trans	-141.7	155.4	167.3	58.8	0	0	0	0	113.3
286	A	27.2	Very low	28.4	Very low	104 Å²	104	137.4 Å²	137.4	86%	0.86	76%	0.761	S	S	*	*			trans	65.8	46	176.1	0	0	0	0	0	118.1
287	V	24.7	Very low	27.7	Very low	119 Å²	119	139 Å²	139	72%	0.721	77%	0.772	S	S	*	*			trans	-70.4	161.3	138.6	177.3	0	0	0	0	108.5
288	W	24.8	Very low	26.8	Very low	233 Å²	233	138.7 Å²	138.7	88%	0.883	78%	0.776	S	S	*	*			trans	82.1	103.9	176.4	-47.5	101.9	0	0	0	116.8
289	Q	24.2	Very low	27.2	Very low	201 Å²	201	134.6 Å²	134.6	94%	0.939	76%	0.758	S	S	*	*				-162.8	172.8	84.9	-97.2	-179.8	4	0	0	111.4
290	D	25.3	Very low	26.6	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	76%	0.755	S	S	*	*			trans	-123.1	163.7	-162.6	179.1	34.5	0	0	0	112.5
291	Q	25.9	Very low	26.4	Very low	125 Å²	125	130.9 Å²	130.9	58%	0.584	73%	0.734	S	S	*	*			trans	68.4	107.7	156.8	-97.3	176.5	82.2	0	0	120.1
292	R	22.1	Very low	26	Very low	199 Å²	199	130.6 Å²	130.6	75%	0.751	72%	0.716	S	S	*	*				147	141.3	102.5	-91.5	170.5	-161.8	-145	3.2	117.1
293	L	23.3	Very low	25.9	Very low	133 Å²	133	124.9 Å²	124.9	70%	0.696	69%	0.69	S	S	*	*			trans	66.5	108.3	141.7	-67.2	166	0	0	0	121.4
294	D	21.4	Very low	26.2	Very low	150 Å²	150	124.2 Å²	124.2	80%	0.802	68%	0.676	S	S	*	*				71.6	157.1	126.7	-75.3	-24.8	0	0	0	123.5
295	S	22.7	Very low	26	Very low	108 Å²	108	123.9 Å²	123.9	76%	0.755	68%	0.675	S	S	*	*			trans	-69.2	146.1	-168	63.8	0	0	0	0	115.9
296	S	22.2	Very low	26.2	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	67%	0.669	S	S	*	*				179.2	157.8	128.1	43.4	0	0	0	0	114.2
297	S	22.9	Very low	26.2	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	66%	0.664	S	S	*	*			trans	45.7	106.6	154.1	56.8	0	0	0	0	121.8
298	V	23.3	Very low	26.4	Very low	136 Å²	136	127.5 Å²	127.5	82%	0.824	66%	0.662	S	S	*	*			trans	-65.9	177.4	140.3	-96.7	0	0	0	0	111.3
299	P	45.6	Very low	26.5	Very low	68 Å²	68	127.8 Å²	127.8	44%	0.442	66%	0.663	S	S	.	*				-137.2	-173.1	-57.7	35.2	-15.5	0	0	0	112.7	R5	R5-P299 HydrophobicContact CG-CB 3.67Å; R5-P299 HydrophobicContact CG-CG 3.57Å; R5-P299 VanDerWaalsContact CZ-O 3.23Å; R5-P299 VanDerWaalsContact NE-C 3.31Å; R5-P299 PolarHBondContact NE-O 3.29Å; R5-P299 PolarHBondContact NH2-O 2.67Å
300	Q	28.1	Very low	26.6	Very low	135 Å²	135	128.4 Å²	128.4	63%	0.631	66%	0.657	S	S	*	*			trans	-150.2	145.6	167.8	-86.7	-101.7	-8.7	0	0	113.3	P4 R5	P4-Q300 WeakPolarHBondContact CB-O 3.36Å; P4-Q300 WeakPolarHBondContact CG-O 3.46Å; R5-Q300 VanDerWaalsContact CG-C 3.46Å; R5-Q300 PolarHBondContact N-O 3.23Å
301	L	25.5	Very low	26.8	Very low	71 Å²	71	128.9 Å²	128.9	37%	0.372	66%	0.659	S	S	.	*	B	Isolated β-bridge	cis	-143.8	179.8	-17	-169.6	58.4	0	0	0	110.3	S3 P4 R5 L6	S3-L301 CarbonylContact C-O 2.83Å; S3-L301 WeakPolarHBondContact OG-CB 3.38Å; P4-L301 CarbonylContact C-O 3.56Å; P4-L301 VanDerWaalsContact CA-O 3.25Å; P4-L301 WeakPolarHBondContact CA-O 3.26Å; R5-L301 VanDerWaalsContact CA-O 3.26Å; R5-L301 WeakPolarHBondContact CA-O 3.45Å; R5-L301 WeakPolarHBondContact CB-O 3.41Å; R5-L301 PolarHBondContact N-O 3.25Å; L6-L301 PolarHBondContact N-O 3.15Å
302	L	27.1	Very low	26.8	Very low	62 Å²	62	127.3 Å²	127.3	33%	0.325	67%	0.667	S	S	.	*			trans	-107.5	31.3	-130.3	-129.2	135.2	0	0	0	125.2	M2 R5 L6	M2-L302 HydrophobicContact CB-CB 4.14Å; M2-L302 VanDerWaalsContact CB-O 3.26Å; M2-L302 WeakPolarHBondContact CB-O 3.33Å; M2-L302 HydrophobicContact CE-CB 4.14Å; M2-L302 HydrophobicContact CE-CD2 3.67Å; M2-L302 WeakPolarHBondContact CE-O 3.28Å; M2-L302 HydrophobicContact CG-CB 4.36Å; R5-L302 HydrophobicContact CB-CG 4.45Å; L6-L302 HydrophobicContact CB-CD2 4.22Å; L6-L302 HydrophobicContact CB-CG 4.2Å; L6-L302 WeakPolarHBondContact CB-O 2.93Å; L6-L302 HydrophobicContact CD1-CD2 3.92Å; L6-L302 HydrophobicContact CD1-CG 4.42Å; L6-L302 HydrophobicContact CD2-CD2 4.24Å; L6-L302 HydrophobicContact CG-CD2 4.36Å
303	C	26.7	Very low	26.9	Very low	49 Å²	49	123.4 Å²	123.4	33%	0.331	67%	0.671	S	S	.	*			trans	20.8	139.5	-174.6	-150.3	0	0	0	0	125.5	M2 S3 L6 C7	M2-C303 VanDerWaalsContact CB-CA 3.48Å; M2-C303 WeakPolarHBondContact CE-O 3.25Å; S3-C303 PolarHBondContact O-N 2.82Å; L6-C303 HydrophobicContact CB-CB 3.99Å; C7-C303 HydrophobicContact CB-CB 4.39Å
304	R	32.4	Very low	27	Very low	141 Å²	141	124.3 Å²	124.3	53%	0.532	67%	0.671	S	S	.	*			trans	-149.5	136.7	-167	-144.1	174.3	-142.9	169.2	3.4	116.4	M2	M2-R304 HydrophobicContact CB-CB 4.15Å; M2-R304 HydrophobicContact CG-CB 3.97Å; M2-R304 HydrophobicContact CG-CG 4.17Å; M2-R304 HydrophobicContact SD-CB 3.31Å; M2-R304 WeakPolarHBondContact SD-CB 3.4Å; M2-R304 WeakPolarHBondContact SD-CD 3.31Å; M2-R304 HydrophobicContact SD-CG 3.15Å; M2-R304 WeakPolarHBondContact SD-CG 3.3Å; M2-R304 PolarHBondContact SD-NE 3.05Å; M2-R304 VanDerWaalsContact SD-NE 3.35Å
305	C	24.5	Very low	27.3	Very low	107 Å²	107	127.3 Å²	127.3	72%	0.723	67%	0.671	S	S	*	*				172.9	161.9	80.1	-104.1	0	0	0	0	109.9
306	R	31.4	Very low	27.4	Very low	175 Å²	175	127.1 Å²	127.1	66%	0.66	68%	0.676	S	S	*	*			cis	-177.6	154.6	-27	-154.3	-176.7	-175	-179.3	1.2	110.9
307	M	25.8	Very low	27.9	Very low	154 Å²	154	127 Å²	127	76%	0.759	68%	0.675	S	S	*	*			trans	74.1	161.5	164	-52.9	-60.4	-158.5	0	0	119.3
308	A	28.5	Very low	28.8	Very low	82 Å²	82	126.6 Å²	126.6	68%	0.678	67%	0.67	S	S	*	*				174.5	164.6	-74.4	0	0	0	0	0	113.1
309	R	28.6	Very low	28.9	Very low	239 Å²	239	130.9 Å²	130.9	90%	0.902	67%	0.671	S	S	*	*			trans	77.2	152.9	169.9	-59.7	175.4	175.3	177.4	-2.3	115.1
310	R	26.4	Very low	27.9	Very low	214 Å²	214	136.1 Å²	136.1	81%	0.808	69%	0.69	S	S	*	*			cis	-162	161.5	-1.7	-122.9	-171.7	166.2	-173.9	-7	107.2
311	L	28.3	Very low	27.8	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	70%	0.699	S	S	*	*			cis	-143.9	-105.2	-12.7	-150.3	176.7	0	0	0	110.9
312	A	26.8	Very low	27.8	Very low	91 Å²	91	140.1 Å²	140.1	75%	0.752	72%	0.72	S	S	*	*			trans	-167	155.9	-174	0	0	0	0	0	112.6
313	S	23.3	Very low	27.6	Very low	118 Å²	118	145.7 Å²	145.7	83%	0.825	74%	0.744	S	S	*	*			trans	171.2	161.1	151.6	-172.9	0	0	0	0	109.6
314	E	26.6	Very low	27.5	Very low	151 Å²	151	146.4 Å²	146.4	71%	0.706	76%	0.76	S	S	*	*				-151.6	176.4	-65.3	-145.3	-169.7	138.2	0	0	109.1
315	R	26.2	Very low	27.2	Very low	214 Å²	214	147 Å²	147	81%	0.808	77%	0.774	S	S	*	*			trans	-43.1	155.3	-177	-64.3	158.7	160.4	146.5	-14.4	118.4
316	A	25.1	Very low	27.3	Very low	103 Å²	103	147.6 Å²	147.6	85%	0.851	77%	0.774	S	S	*	*				135.8	147.8	116.9	0	0	0	0	0	116.3
317	S	32.2	Very low	26.9	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	78%	0.78	S	S	*	*			trans	-113	162	157.8	62.1	0	0	0	0	107.4
318	P	42.8	Very low	26.9	Very low	99 Å²	99	144.6 Å²	144.6	64%	0.643	78%	0.782	S	S	*	*				-160.4	-175.4	62.8	44.7	-22.6	0	0	0	119.1
319	W	25.2	Very low	26.8	Very low	227 Å²	227	144.9 Å²	144.9	86%	0.86	78%	0.779	S	S	*	*			trans	67.5	127.8	150.2	-63.3	129.9	0	0	0	125.5
320	Q	24.2	Very low	26.6	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	77%	0.771	S	S	*	*			trans	87.6	161.9	136.7	-79.9	179.8	-54.7	0	0	123.9
321	L	26.3	Very low	26.7	Very low	159 Å²	159	135.9 Å²	135.9	83%	0.832	77%	0.769	S	S	*	*			trans	-88.1	164.7	-161.2	-79.1	64	0	0	0	114.7
322	V	25.5	Very low	26.6	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	78%	0.779	S	S	*	*				-166.9	167.9	125.7	134.1	0	0	0	0	112.4
323	E	23.3	Very low	26.6	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	78%	0.78	S	S	*	*			trans	-55.7	172.9	-174.2	-58.5	126.1	154.7	0	0	117.1
324	G	24.1	Very low	26.7	Very low	64 Å²	64	141.2 Å²	141.2	66%	0.66	77%	0.774	S	S	*	*			cis	159.5	169.9	-5.7	0	0	0	0	0	113.9
325	D	25.9	Very low	26.7	Very low	155 Å²	155	142.5 Å²	142.5	83%	0.829	78%	0.78	S	S	*	*			trans	60.4	157.4	156.2	-71.4	7	0	0	0	122.2
326	T	27	Very low	26.6	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.724	78%	0.781	S	S	*	*			cis	-163.5	167.3	-16.3	28	0	0	0	0	111.4
327	S	23.6	Very low	26.7	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	78%	0.779	S	S	*	*			trans	142.1	150.8	150.3	59.8	0	0	0	0	113.4
328	L	25.1	Very low	26.6	Very low	155 Å²	155	142 Å²	142	81%	0.812	78%	0.78	S	S	*	*			cis	-155.7	141.1	-1	-123.5	163.8	0	0	0	113.1
329	S	26.1	Very low	26	Very low	87 Å²	87	141.1 Å²	141.1	61%	0.608	78%	0.781	S	S	*	*			trans	35.9	106	152.2	64.8	0	0	0	0	125.2
330	T	24.7	Very low	26	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	78%	0.776	S	S	*	*				30.2	145.1	112.5	61.1	0	0	0	0	125.4
331	N	28.7	Very low	26.1	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	77%	0.769	S	S	*	*			trans	99.3	119.3	143.1	-66	-20.6	0	0	0	122
332	Q	26.5	Very low	26.2	Very low	200 Å²	200	134.7 Å²	134.7	94%	0.935	76%	0.761	S	S	*	*			trans	-156.5	173.5	130.1	-116.3	-179.5	24	0	0	111.9
333	L	25.8	Very low	26.3	Very low	146 Å²	146	132.5 Å²	132.5	76%	0.764	76%	0.758	S	S	*	*			trans	-124.3	153.1	-160.3	-114.7	80.4	0	0	0	114.8
334	T	26.3	Very low	26.6	Very low	115 Å²	115	131.3 Å²	131.3	71%	0.706	76%	0.756	S	S	*	*			trans	16.2	137	145.4	60.6	0	0	0	0	119.9
335	E	26.5	Very low	26.7	Very low	177 Å²	177	135.8 Å²	135.8	83%	0.827	76%	0.76	S	S	*	*				-163.3	149.3	58.6	-79.1	-169.6	123	0	0	113.8
336	A	24.8	Very low	26.6	Very low	102 Å²	102	137.4 Å²	137.4	84%	0.843	76%	0.762	S	S	*	*			trans	-161.6	138.2	152	0	0	0	0	0	112.1
337	L	25.6	Very low	26.7	Very low	153 Å²	153	136.1 Å²	136.1	80%	0.801	76%	0.764	S	S	*	*			trans	-81.6	164.3	177.5	-86.2	76.1	0	0	0	112
338	M	30.8	Very low	27.6	Very low	161 Å²	161	136.8 Å²	136.8	79%	0.793	77%	0.765	S	S	*	*			cis	-169.8	175.8	-14.8	-112.1	-85	-97.3	0	0	110.9
339	A	29.9	Very low	29	Very low	80 Å²	80	134.6 Å²	134.6	66%	0.661	76%	0.76	S	S	*	*			trans	72.4	106.4	164.2	0	0	0	0	0	118.4
340	Y	26	Very low	30	Very low	190 Å²	190	135.3 Å²	135.3	75%	0.745	76%	0.763	S	S	*	*				79.9	139.4	68.2	-92.4	-141.8	0	0	0	114.4
341	K	27	Very low	30.1	Very low	156 Å²	156	136.1 Å²	136.1	68%	0.678	77%	0.768	S	S	*	*			cis	-173.9	-177.3	-9.5	-116.7	-164.1	177.4	166.4	0	106.8
342	A	28.3	Very low	30	Very low	82 Å²	82	134.3 Å²	134.3	68%	0.678	77%	0.773	S	S	*	*			cis	-177.6	-178.5	-15.5	0	0	0	0	0	107.3
343	A	27.4	Very low	30	Very low	87 Å²	87	136.2 Å²	136.2	72%	0.719	77%	0.772	S	S	*	*			cis	-170.6	143.7	-49	0	0	0	0	0	109.4
344	L	28.6	Very low	30.7	Very low	152 Å²	152	135.1 Å²	135.1	80%	0.796	77%	0.773	S	S	*	*			trans	43.3	128.3	156.1	-74.7	157.3	0	0	0	124
345	Q	26.6	Very low	31.7	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	78%	0.778	S	S	*	*			trans	65	131.3	141.8	-80	176.9	-75.1	0	0	125.1
346	E	23.5	Very low	31.7	Very low	188 Å²	188	130.9 Å²	130.9	88%	0.879	78%	0.778	S	S	*	*			trans	62.8	179.5	150.8	-60.5	-164.9	152.7	0	0	121.4
347	A	29.1	Very low	31.8	Very low	92 Å²	92	129.4 Å²	129.4	76%	0.76	77%	0.773	S	S	*	*			trans	-119.3	-176.3	-143	0	0	0	0	0	114.2
348	P	43.6	Very low	31.9	Very low	125 Å²	125	131.7 Å²	131.7	81%	0.812	78%	0.779	S	S	*	*			cis	-133	-97.8	8.5	25.8	3.7	0	0	0	119.5
349	P	54	Low	31.7	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	78%	0.775	S	S	*	*			trans	-131.6	-150	-148.9	44.6	-20.9	0	0	0	113.4
350	P	45.9	Very low	31.5	Very low	103 Å²	103	135 Å²	135	67%	0.669	78%	0.777	S	S	*	*			cis	-139	179.9	-11.9	40.8	-21.1	0	0	0	118
351	T	27.3	Very low	32.4	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	78%	0.775	S	S	*	*			trans	68.1	136.4	152.3	43.1	0	0	0	0	124.6
352	A	27.6	Very low	32.4	Very low	107 Å²	107	127.8 Å²	127.8	88%	0.884	78%	0.776	S	S	*	*			trans	116.6	148.2	137.7	0	0	0	0	0	122.6
353	R	25.7	Very low	32.3	Very low	239 Å²	239	130.3 Å²	130.3	90%	0.902	78%	0.779	S	S	*	*			trans	-49.2	164.8	179.7	-86.7	179.8	-176.7	176.2	2	118.4
354	P	40.4	Very low	32.2	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	78%	0.775	S	S	*	*				-149.5	-138.4	75	44.9	-20.4	0	0	0	118.1
355	P	46.7	Very low	32.1	Very low	123 Å²	123	132 Å²	132	80%	0.799	77%	0.771	S	S	*	*			trans	-107.7	-176	-142	18.4	9.6	0	0	0	114.1
356	G	26.2	Very low	32	Very low	81 Å²	81	129.6 Å²	129.6	84%	0.835	78%	0.779	S	S	*	*			cis	107.5	133	21.7	0	0	0	0	0	111
357	G	27.7	Very low	32.1	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	78%	0.783	S	S	*	*			cis	-176.2	-144.6	5	0	0	0	0	0	111.8
358	Q	26.9	Very low	32	Very low	200 Å²	200	129.2 Å²	129.2	94%	0.935	78%	0.78	S	S	*	*			trans	98	155	177.8	-59.7	-174.5	19.7	0	0	118.1
359	K	27.8	Very low	31.3	Very low	161 Å²	161	130.3 Å²	130.3	70%	0.7	78%	0.784	S	S	*	*			cis	-173.2	121.3	-39	-155.9	170.5	-171.8	-82.1	0	112.9
360	E	25.6	Very low	30.1	Very low	149 Å²	149	129.2 Å²	129.2	70%	0.696	78%	0.784	S	S	*	*			trans	56.7	176.1	150.5	-69.5	-179.2	108.4	0	0	121.3
361	P	45.7	Very low	29.2	Very low	111 Å²	111	133.7 Å²	133.7	72%	0.721	79%	0.793	S	S	*	*				-142.9	176	-63.3	44.8	-28.5	0	0	0	117.9
362	A	26.9	Very low	29.1	Very low	84 Å²	84	134.4 Å²	134.4	69%	0.694	79%	0.791	S	S	*	*			trans	80.7	133.7	140.1	0	0	0	0	0	125.4
363	N	25.8	Very low	29	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	79%	0.79	S	S	*	*			trans	65	154.1	141.2	-74.6	35.1	0	0	0	123
364	Q	25.4	Very low	29	Very low	138 Å²	138	127 Å²	127	65%	0.645	78%	0.779	S	S	*	*			cis	-166.6	156.6	-37.4	-124.3	-175	-64.6	0	0	110.8
365	D	25.5	Very low	28.5	Very low	135 Å²	135	128.7 Å²	128.7	72%	0.722	78%	0.777	S	S	*	*			trans	49.4	118.5	154.9	-48.6	-24.7	0	0	0	123.1
366	A	25.3	Very low	27.6	Very low	109 Å²	109	129.1 Å²	129.1	90%	0.901	78%	0.777	S	S	*	*			trans	-172.8	162.5	137.8	0	0	0	0	0	113
367	E	25.3	Very low	27.7	Very low	204 Å²	204	129.6 Å²	129.6	95%	0.953	76%	0.76	S	S	*	*			trans	-88.2	159.1	-166.9	-54	166.7	107.4	0	0	116.2
368	G	26.2	Very low	27.9	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	75%	0.75	S	S	*	*			trans	143.7	119.4	144.8	0	0	0	0	0	121.8
369	V	28.6	Very low	28	Very low	148 Å²	148	130.9 Å²	130.9	90%	0.897	74%	0.739	S	S	*	*			trans	75.2	106.4	139.1	-171.1	0	0	0	0	122.5
370	A	29.3	Very low	27.9	Very low	85 Å²	85	132.1 Å²	132.1	70%	0.702	74%	0.741	S	S	*	*			trans	57.9	132.9	136.5	0	0	0	0	0	125.9
371	K	27.5	Very low	27.9	Very low	198 Å²	198	128.2 Å²	128.2	86%	0.861	74%	0.741	S	S	*	*			trans	66.4	142.7	154.8	-77.1	-174.2	177.2	179.8	0	117.7
372	L	25.7	Very low	26.9	Very low	151 Å²	151	127.7 Å²	127.7	79%	0.791	74%	0.739	S	S	*	*			cis	-154.2	138.8	-0.7	-166.6	78.7	0	0	0	111.3
373	S	25.6	Very low	26.9	Very low	125 Å²	125	133.4 Å²	133.4	87%	0.874	75%	0.749	S	S	*	*			trans	64.5	138.6	161.7	-155.3	0	0	0	0	120.7
374	G	26.1	Very low	26.9	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	75%	0.752	S	S	*	*			trans	121.4	69	155.8	0	0	0	0	0	119.8
375	H	28.8	Very low	26.9	Very low	160 Å²	160	139.6 Å²	139.6	74%	0.741	76%	0.764	S	S	*	*			trans	-136.1	161.9	161.8	-96.4	26.9	0	0	0	108.4	N377	H375-N377 PolarHBondContact CE1-ND2 2.63Å; H375-N377 VanDerWaalsContact CE1-ND2 3.32Å; H375-N377 PolarHBondContact NE2-ND2 2.91Å
376	T	27.5	Very low	26.9	Very low	131 Å²	131	140 Å²	140	80%	0.804	77%	0.765	S	S	*	*			cis	-132.5	163.2	32.4	34.1	0	0	0	0	112.7
377	N	28.2	Very low	26.8	Very low	91 Å²	91	139.4 Å²	139.4	49%	0.487	76%	0.755	S	S	.	*			cis	74	121.7	6.3	-68.1	-29.2	0	0	0	119.6	H375	H375-N377 PolarHBondContact CE1-ND2 2.63Å; H375-N377 VanDerWaalsContact CE1-ND2 3.32Å; H375-N377 PolarHBondContact NE2-ND2 2.91Å
378	Q	32.2	Very low	26.8	Very low	113 Å²	113	138.4 Å²	138.4	53%	0.528	75%	0.749	S	S	.	*			cis	177.5	159.3	-4	-127.9	-178	41.5	0	0	110.9
379	R	29.7	Very low	26.7	Very low	185 Å²	185	143.4 Å²	143.4	70%	0.698	75%	0.754	S	S	*	*			trans	56.3	-174.8	151.4	-64.5	173.5	-178.8	163.9	0.2	116.7
380	Y	26.2	Very low	26.9	Very low	187 Å²	187	141.1 Å²	141.1	73%	0.733	74%	0.742	S	S	*	*			cis	-141.2	168.8	5.7	-78.4	-89.2	0	0	0	109.9
381	G	25.1	Very low	26.6	Very low	67 Å²	67	144 Å²	144	69%	0.691	75%	0.745	S	S	*	*			cis	153.1	94.3	-11	0	0	0	0	0	116.5
382	S	25.2	Very low	26.4	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	75%	0.746	S	S	*	*			trans	74.7	134.6	163.5	-160.7	0	0	0	0	121
383	F	25.6	Very low	26.3	Very low	204 Å²	204	140.1 Å²	140.1	90%	0.895	75%	0.748	S	S	*	*				-169.5	168.2	127.2	-110	-75	0	0	0	110.9
384	Y	25.9	Very low	26.3	Very low	199 Å²	199	143.3 Å²	143.3	78%	0.78	75%	0.749	S	S	*	*			trans	-109.8	153.9	-165.5	-63.3	-99.4	0	0	0	115
385	F	25.1	Very low	26.1	Very low	205 Å²	205	144.9 Å²	144.9	90%	0.899	75%	0.75	S	S	*	*			trans	-163.6	179.5	136.9	-117.6	-77	0	0	0	112.7
386	L	25.2	Very low	25.9	Very low	143 Å²	143	144 Å²	144	75%	0.749	76%	0.756	S	S	*	*			trans	-98.3	140.5	-163	-89.2	73.1	0	0	0	116.2
387	S	24.8	Very low	25.7	Very low	98 Å²	98	147 Å²	147	69%	0.685	76%	0.758	S	S	*	*			trans	70.2	162	137.7	74.8	0	0	0	0	121.6
388	H	24.7	Very low	25.4	Very low	182 Å²	182	148.8 Å²	148.8	84%	0.843	77%	0.772	S	S	*	*			trans	69.8	110	167.7	-77.9	-78.7	0	0	0	120.5
389	Q	24	Very low	25	Very low	174 Å²	174	151.9 Å²	151.9	81%	0.813	79%	0.788	S	S	*	*			trans	-67.4	164	136.7	-82.9	-162.9	4.3	0	0	110.2
390	P	31.8	Very low	24.8	Very low	100 Å²	100	148.2 Å²	148.2	65%	0.649	79%	0.787	S	S	*	*			cis	-140.2	173.2	23.9	41.6	-23	0	0	0	118.4
391	I	24.7	Very low	24.7	Very low	146 Å²	146	144.8 Å²	144.8	75%	0.749	79%	0.785	S	S	*	*			trans	39.1	120	145.1	-59.5	161	0	0	0	119.1
392	T	22.9	Very low	24.7	Very low	146 Å²	146	151.7 Å²	151.7	90%	0.896	79%	0.791	S	S	*	*				-158.3	135.1	126.8	2.5	0	0	0	0	110.8
393	C	23.3	Very low	24.8	Very low	122 Å²	122	151.2 Å²	151.2	82%	0.824	79%	0.792	S	S	*	*			trans	-118.7	125.1	179.6	-67.7	0	0	0	0	111.1
394	Q	24.6	Very low	24.7	Very low	191 Å²	191	148.8 Å²	148.8	89%	0.893	78%	0.782	S	S	*	*			trans	-167	137.3	157.9	-91.1	-169.6	1.4	0	0	107
395	S	23.4	Very low	24.6	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	78%	0.781	S	S	*	*			cis	-158.8	156.2	-9	-68.7	0	0	0	0	108.5
396	V	24.4	Very low	24.5	Very low	142 Å²	142	145.3 Å²	145.3	86%	0.861	78%	0.777	S	S	*	*			trans	175	145.4	132.6	147.5	0	0	0	0	109.4
397	F	22.5	Very low	24.3	Very low	193 Å²	193	149.4 Å²	149.4	85%	0.846	78%	0.783	S	S	*	*			trans	-76.7	145	-175	-89.6	-127	0	0	0	113.3
398	V	23.2	Very low	24.2	Very low	129 Å²	129	149.4 Å²	149.4	78%	0.782	78%	0.779	S	S	*	*			trans	-74.6	121.4	155.8	175.1	0	0	0	0	108.3	T400	V398-T400 PolarHBondContact O-N 2.87Å
399	M	22.9	Very low	24.9	Very low	177 Å²	177	145.7 Å²	145.7	87%	0.872	77%	0.771	S	S	*	*			trans	-78.6	113.3	172.1	-90.9	-163.7	68	0	0	111.3
400	T	24.4	Very low	24.9	Very low	109 Å²	109	145.7 Å²	145.7	67%	0.669	77%	0.77	S	S	*	*			trans	-78.1	141.4	166	55.4	0	0	0	0	111.4	V398	V398-T400 PolarHBondContact O-N 2.87Å
401	T	24.3	Very low	24.5	Very low	115 Å²	115	148.9 Å²	148.9	71%	0.706	78%	0.781	S	S	*	*			trans	64.2	113.3	150.1	-39.2	0	0	0	0	119.1
402	R	25.8	Very low	25	Very low	212 Å²	212	147.6 Å²	147.6	80%	0.8	78%	0.783	S	S	*	*				-179.5	143.9	123.7	-96.4	150.9	-180	177.8	-0.6	109.8	F404	R402-F404 HydrophobicContact CB-CD2 4.19Å
403	A	27	Very low	25	Very low	89 Å²	89	146.5 Å²	146.5	74%	0.736	78%	0.779	S	S	*	*			cis	72.7	70.6	26.1	0	0	0	0	0	114.4
404	F	23.6	Very low	25.2	Very low	154 Å²	154	152.2 Å²	152.2	68%	0.675	78%	0.784	S	S	*	*			trans	-157.3	144.6	167.4	-92.1	-73.7	0	0	0	104.9	R402	R402-F404 HydrophobicContact CB-CD2 4.19Å
405	F	23.9	Very low	26	Very low	174 Å²	174	149.2 Å²	149.2	76%	0.763	78%	0.78	S	S	*	*			cis	-146.6	176.4	21.9	-90.1	-75.1	0	0	0	109.2
406	L	23	Very low	26.1	Very low	157 Å²	157	148.3 Å²	148.3	82%	0.822	79%	0.787	S	S	*	*			cis	-128.8	164.5	6.7	-90.8	97.4	0	0	0	112
407	W	20.1	Very low	26.3	Very low	228 Å²	228	149.4 Å²	149.4	86%	0.864	78%	0.783	S	S	*	*			trans	-119.3	-173.3	155.1	-179.6	48.8	0	0	0	108.4
408	T	23.6	Very low	26.4	Very low	99 Å²	99	147.9 Å²	147.9	61%	0.607	78%	0.776	S	S	*	*			trans	80.6	150.9	169.2	74.5	0	0	0	0	115.7
409	P	38.8	Very low	26.5	Very low	103 Å²	103	148.9 Å²	148.9	67%	0.669	77%	0.772	S	S	*	*			cis	-135.5	167.2	23.5	44.5	-28	0	0	0	121
410	H	24.5	Very low	26.6	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.806	77%	0.767	S	S	*	*			trans	67.3	107.7	160.4	-64.6	-56.5	0	0	0	121.1
411	L	23.6	Very low	26.7	Very low	167 Å²	167	146.3 Å²	146.3	87%	0.874	77%	0.77	S	S	*	*				-146.7	158.4	103.2	-94.1	155.4	0	0	0	108.7
412	P	34.8	Very low	27.5	Very low	120 Å²	120	145.4 Å²	145.4	78%	0.779	77%	0.766	S	S	*	*			trans	-92.3	162.2	-157.6	35.4	-37.9	0	0	0	116.6
413	C	23	Very low	27.5	Very low	122 Å²	122	142.3 Å²	142.3	82%	0.824	77%	0.765	S	S	*	*			trans	-104.3	150.6	177.4	-48.9	0	0	0	0	113.4
414	R	28.7	Very low	27.5	Very low	243 Å²	243	144.1 Å²	144.1	92%	0.917	76%	0.763	S	S	*	*			trans	170.5	162.9	142.7	-100.6	177	-178	-149.8	2.2	110.8
415	P	39.8	Very low	27.7	Very low	127 Å²	127	142.6 Å²	142.6	83%	0.825	76%	0.762	S	S	*	*				-133.6	177.2	-63.7	34.1	-13.5	0	0	0	113
416	G	26	Very low	27.9	Very low	81 Å²	81	140.8 Å²	140.8	84%	0.835	76%	0.76	S	S	*	*			trans	-169.7	123.3	174.4	0	0	0	0	0	116.6
417	Q	28.4	Very low	28.2	Very low	164 Å²	164	140.8 Å²	140.8	77%	0.766	76%	0.761	S	S	*	*			trans	-144.3	158.8	-169.3	-130.2	-169.9	27.7	0	0	108.7
418	K	25.5	Very low	28.5	Very low	162 Å²	162	135.9 Å²	135.9	70%	0.704	76%	0.761	S	S	*	*			cis	-154.3	147.7	30.7	-76.2	-171.4	176.8	178.7	0	114
419	H	25.4	Very low	28.7	Very low	150 Å²	150	137 Å²	137	69%	0.694	77%	0.773	S	S	*	*			trans	62.7	142.7	138.4	-71.4	-116.2	0	0	0	120.5
420	V	25.2	Very low	28.1	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	78%	0.781	S	S	*	*			cis	79.3	131	29.6	-178.8	0	0	0	0	112.4
421	S	25.8	Very low	28.4	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	78%	0.784	S	S	*	*			cis	-146.7	-155.2	24.5	-142	0	0	0	0	109.6
422	P	41.9	Very low	28.7	Very low	97 Å²	97	135.5 Å²	135.5	63%	0.63	78%	0.78	S	S	*	*			cis	-138.4	-164.8	-5.7	43.6	-23.9	0	0	0	116.1
423	N	25.1	Very low	28.7	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	78%	0.782	S	S	*	*			trans	72.7	139.7	153.2	-73.1	6.2	0	0	0	120.4
424	N	27.8	Very low	29.1	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	78%	0.782	S	S	*	*			cis	-153.6	142.8	-5.8	-162.4	20.7	0	0	0	113.5
425	N	26.8	Very low	29.2	Very low	123 Å²	123	128.7 Å²	128.7	66%	0.658	77%	0.771	S	S	*	*			trans	28.1	127.2	151.1	-74.9	5.9	0	0	0	124.8
426	N	27.5	Very low	28.9	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	77%	0.772	S	S	*	*				116.5	141.7	120.5	-79.2	6.7	0	0	0	122.2
427	N	29.7	Very low	29.1	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	77%	0.772	S	S	*	*			trans	69.9	111.4	160.7	-66.6	9.5	0	0	0	119.6
428	S	26.7	Very low	29.3	Very low	126 Å²	126	138.1 Å²	138.1	88%	0.881	78%	0.779	S	S	*	*			trans	-99.4	151.8	166.7	45.7	0	0	0	0	111.9
429	S	27.6	Very low	29.6	Very low	121 Å²	121	136.9 Å²	136.9	85%	0.846	79%	0.785	S	S	*	*			trans	-139	149.8	156.6	57.9	0	0	0	0	108.6
430	A	25.6	Very low	30	Very low	101 Å²	101	140.7 Å²	140.7	84%	0.835	79%	0.794	S	S	*	*			trans	-86.4	158	-170.2	0	0	0	0	0	113.1
431	V	32.7	Very low	30.6	Very low	143 Å²	143	141 Å²	141	87%	0.867	80%	0.798	S	S	*	*			trans	-119.3	142.9	169.8	178.7	0	0	0	0	108.3
432	E	29.8	Very low	31	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.794	80%	0.799	S	S	*	*			trans	-76.3	155.3	-170.7	-63.8	180	133.9	0	0	114
433	P	32.8	Very low	31	Very low	128 Å²	128	143.2 Å²	143.2	83%	0.831	81%	0.805	S	S	*	*			trans	-79.9	129.8	174.6	32.1	-33.5	0	0	0	112.2
434	A	33.1	Very low	31.7	Very low	99 Å²	99	146.5 Å²	146.5	82%	0.818	81%	0.807	S	S	*	*			trans	-105.1	140.4	174.4	0	0	0	0	0	112.1
435	V	30.1	Very low	32.5	Very low	115 Å²	115	147.8 Å²	147.8	70%	0.697	81%	0.814	S	S	*	*			trans	-110.2	136.1	177.9	178.7	0	0	0	0	109.8	F437	V435-F437 HydrophobicContact CG1-CE2 3.96Å; V435-F437 HydrophobicContact CG1-CZ 4.03Å
436	T	33.1	Very low	32.9	Very low	137 Å²	137	149.3 Å²	149.3	84%	0.84	82%	0.821	S	S	*	*			trans	-118.8	132.1	176.8	49.8	0	0	0	0	111.5
437	F	30.8	Very low	33.1	Very low	189 Å²	189	149.2 Å²	149.2	83%	0.829	83%	0.825	S	S	*	*			trans	-103.5	137.6	176.9	-65.9	-84.2	0	0	0	110.5	V435	V435-F437 HydrophobicContact CG1-CE2 3.96Å; V435-F437 HydrophobicContact CG1-CZ 4.03Å
438	R	31.6	Very low	33.2	Very low	243 Å²	243	148.6 Å²	148.6	92%	0.917	83%	0.827	S	S	*	*			trans	-122.8	96.6	-179.5	-172.4	176.9	-175.7	170.2	3.4	111.1
439	T	32.8	Very low	33.2	Very low	136 Å²	136	146.4 Å²	146.4	83%	0.834	82%	0.817	S	S	*	*			trans	-69.3	148.5	172.9	45.2	0	0	0	0	111.4
440	R	33.5	Very low	33.2	Very low	230 Å²	230	149.7 Å²	149.7	87%	0.868	82%	0.818	S	S	*	*			trans	-112.1	146.4	172.1	-71.5	179.1	175.6	161.7	-2.1	109.1
441	P	37.5	Very low	33.2	Very low	132 Å²	132	153.9 Å²	153.9	86%	0.857	82%	0.82	S	S	*	*			trans	-71.1	149.6	-178.5	29.7	-35.3	0	0	0	112.3
442	N	34.5	Very low	33.4	Very low	141 Å²	141	152.3 Å²	152.3	75%	0.754	81%	0.813	S	S	*	*			trans	-106.8	160.1	175.1	-164.1	4.9	0	0	0	111	R444	N442-R444 PolarHBondContact O-N 2.8Å
443	S	42	Very low	33.8	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	24.2	-160.1	58.7	0	0	0	0	118
444	R	39.3	Very low	34.1	Very low	215 Å²	215	149.8 Å²	149.8	81%	0.811	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	6.2	-176.6	-71.3	-168.8	173.8	-171.9	-1.6	116.6	N442 L446	N442-R444 PolarHBondContact O-N 2.8Å; R444-L446 VanDerWaalsContact C-N 3.29Å; R444-L446 PolarHBondContact O-N 3.23Å; R444-L446 VanDerWaalsContact O-N 3.08Å
445	N	45.2	Very low	34.2	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	80%	0.801	S	S	*	*			trans	46.5	41	169.8	-75.9	-3.7	0	0	0	116	T447	N445-T447 PolarHBondContact O-N 3.49Å
446	L	36.1	Very low	34.7	Very low	155 Å²	155	149.6 Å²	149.6	81%	0.812	80%	0.804	S	S	*	*			trans	-90.8	100.8	174.6	-68.3	176.8	0	0	0	110.9	R444 V448	R444-L446 VanDerWaalsContact C-N 3.29Å; R444-L446 PolarHBondContact O-N 3.23Å; R444-L446 VanDerWaalsContact O-N 3.08Å; L446-V448 PolarHBondContact O-N 3.48Å
447	T	30.5	Very low	35.2	Very low	134 Å²	134	150.1 Å²	150.1	82%	0.822	80%	0.802	S	S	*	*			trans	-79.2	102.4	169	46.1	0	0	0	0	110.7	N445 A449	N445-T447 PolarHBondContact O-N 3.49Å; T447-A449 PolarHBondContact O-N 3.43Å
448	V	31.3	Very low	35.9	Very low	143 Å²	143	148.7 Å²	148.7	87%	0.867	80%	0.796	S	S	*	*			trans	-90.9	95.8	167.8	-178	0	0	0	0	108.8	L446	L446-V448 PolarHBondContact O-N 3.48Å
449	A	28.3	Very low	36.5	Very low	80 Å²	80	142.7 Å²	142.7	66%	0.661	78%	0.782	S	S	*	*			trans	-141.5	72.9	176.3	0	0	0	0	0	110.6	T447	T447-A449 PolarHBondContact O-N 3.43Å
450	H	26.3	Very low	37.1	Very low	189 Å²	189	141.8 Å²	141.8	88%	0.875	77%	0.768	S	S	*	*			trans	-172.8	99.1	160.2	-94.6	-63.5	0	0	0	109.8
451	Q	26.6	Very low	37.5	Very low	190 Å²	190	135.9 Å²	135.9	89%	0.888	76%	0.759	S	S	*	*				178.6	136.4	122.7	-158.9	151.5	-14	0	0	109.2
452	P	36.1	Very low	37.7	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	76%	0.756	S	S	*	*			trans	-98	155.9	-172.6	37.5	-35	0	0	0	114.3
453	V	38.8	Very low	38.6	Very low	137 Å²	137	134.8 Å²	134.8	83%	0.83	74%	0.744	S	S	*	*			trans	53.8	77.5	160.7	-170.6	0	0	0	0	116.3
454	A	37.9	Very low	38.6	Very low	108 Å²	108	133 Å²	133	89%	0.893	74%	0.743	S	S	*	*	S	Bend	trans	-155.4	104.3	149.2	0	0	0	0	0	108.8
455	G	36.7	Very low	38.8	Very low	46 Å²	46	128.7 Å²	128.7	47%	0.474	74%	0.735	S	S	.	*			trans	154.3	-11.7	177.3	0	0	0	0	0	118.6	N457 F458	G455-N457 PolarHBondContact O-N 2.82Å; G455-N457 VanDerWaalsContact O-N 3.11Å; G455-F458 PolarHBondContact O-N 3.37Å; G455-F458 VanDerWaalsContact O-N 3.12Å
456	Q	39.2	Very low	38.4	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-58.3	-27.8	179.9	-80.3	179	-40.5	0	0	113.3	F458	Q456-F458 VanDerWaalsContact C-N 3.32Å; Q456-F458 PolarHBondContact O-N 3.45Å
457	N	44.5	Very low	38.7	Very low	148 Å²	148	127.8 Å²	127.8	79%	0.791	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-85.4	5.7	-178.1	-57.6	12.3	0	0	0	114.1	G455	G455-N457 PolarHBondContact O-N 2.82Å; G455-N457 VanDerWaalsContact O-N 3.11Å
458	F	44.6	Very low	39	Very low	160 Å²	160	128.7 Å²	128.7	70%	0.702	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-108.9	-10.1	-175	-156.6	-96.2	0	0	0	114.6	G455 Q456	G455-F458 PolarHBondContact O-N 3.37Å; G455-F458 VanDerWaalsContact O-N 3.12Å; Q456-F458 VanDerWaalsContact C-N 3.32Å; Q456-F458 PolarHBondContact O-N 3.45Å
459	L	45.6	Very low	39.2	Very low	117 Å²	117	130.5 Å²	130.5	61%	0.613	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-22.9	-177.1	-70.6	172.4	0	0	0	114.8	T463	L459-T463 PolarHBondContact O-N 2.9Å; L459-T463 PolarHBondContact O-OG1 2.9Å
460	E	44.8	Very low	39.4	Very low	117 Å²	117	132.2 Å²	132.2	55%	0.547	73%	0.733	S	S	.	*	H	α-helix	trans	-61.8	-39.5	173	-65.1	-168.4	132.3	0	0	113.6	E462 G464	E460-E462 PolarHBondContact O-N 3.31Å; E460-G464 PolarHBondContact O-N 3.38Å; E460-G464 VanDerWaalsContact O-N 3.15Å
461	P	42.4	Very low	39.5	Very low	106 Å²	106	126.6 Å²	126.6	69%	0.688	73%	0.726	S	S	*	*	H	α-helix	trans	-66.6	-33.7	-175.8	-23.8	35.3	0	0	0	115.7
462	E	42	Very low	39.6	Very low	169 Å²	169	122.4 Å²	122.4	79%	0.79	72%	0.724	S	S	*	*	H	α-helix	trans	-98.9	-15.8	-175.9	-70.1	-162.3	133.3	0	0	114.3	E460	E460-E462 PolarHBondContact O-N 3.31Å
463	T	53.3	Low	39.1	Very low	80 Å²	80	126 Å²	126	49%	0.491	73%	0.731	S	S	.	*	H	α-helix	trans	-117.9	-17.7	-175.6	68.9	0	0	0	0	115	L459 L465	L459-T463 PolarHBondContact O-N 2.9Å; L459-T463 PolarHBondContact O-OG1 2.9Å; T463-L465 PolarHBondContact O-N 3.32Å
464	G	42.1	Very low	38.7	Very low	72 Å²	72	128.2 Å²	128.2	74%	0.742	73%	0.732	S	S	*	*			trans	64.2	6.3	174.4	0	0	0	0	0	116.2	E460	E460-G464 PolarHBondContact O-N 3.38Å; E460-G464 VanDerWaalsContact O-N 3.15Å
465	L	42.9	Very low	38.2	Very low	124 Å²	124	128.5 Å²	128.5	65%	0.649	72%	0.723	S	S	*	*			trans	-103.2	125.6	-174.5	-74.3	167.8	0	0	0	111.7	T463	T463-L465 PolarHBondContact O-N 3.32Å
466	K	36.5	Very low	37.8	Very low	163 Å²	163	132.7 Å²	132.7	71%	0.709	73%	0.73	S	S	*	*			trans	-89.5	114.3	-176.1	-167.7	171.9	-172.2	171.8	0	111.4	L468	K466-L468 HydrophobicContact CD-CD2 4.49Å; K466-L468 HydrophobicContact CG-CD2 4.42Å; K466-L468 PolarHBondContact O-N 2.88Å
467	V	41.9	Very low	37.2	Very low	127 Å²	127	133.6 Å²	133.6	77%	0.77	74%	0.735	S	S	*	*			trans	-75.8	109.3	179.9	-177.6	0	0	0	0	110.2
468	L	38.2	Very low	36.4	Very low	154 Å²	154	129.7 Å²	129.7	81%	0.806	73%	0.729	S	S	*	*			trans	-91.7	-26.3	-173.2	-71.2	172.5	0	0	0	115.2	K466	K466-L468 HydrophobicContact CD-CD2 4.49Å; K466-L468 HydrophobicContact CG-CD2 4.42Å; K466-L468 PolarHBondContact O-N 2.88Å
469	Q	33.8	Very low	35.7	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	73%	0.731	S	S	*	*			trans	-158.9	142.8	175.1	-161.9	167.5	-6.7	0	0	112.2
470	S	32.2	Very low	34.9	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	74%	0.738	S	S	*	*			trans	-127.5	100.4	169.5	60.9	0	0	0	0	109.7
471	G	29.4	Very low	34	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	75%	0.747	S	S	*	*			trans	-118.3	134	178.3	0	0	0	0	0	111.5
472	A	28.1	Very low	33.5	Very low	102 Å²	102	132.2 Å²	132.2	84%	0.843	76%	0.756	S	S	*	*			trans	-95	120.4	160.1	0	0	0	0	0	107.5	Q474	A472-Q474 PolarHBondContact O-N 2.84Å
473	E	26.5	Very low	33.2	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	75%	0.754	S	S	*	*			trans	-72.2	120.4	-176.2	-167.8	176.4	170.2	0	0	110.8
474	Q	30.1	Very low	32.1	Very low	183 Å²	183	133 Å²	133	86%	0.855	77%	0.768	S	S	*	*			trans	-127.8	132.7	163.6	-73.7	-169.9	-5	0	0	108.6	A472	A472-Q474 PolarHBondContact O-N 2.84Å
475	T	27.8	Very low	31.6	Very low	114 Å²	114	134.7 Å²	134.7	70%	0.699	78%	0.775	S	S	*	*			trans	-124.2	101.9	173	-53.1	0	0	0	0	104
476	E	28.8	Very low	30.9	Very low	134 Å²	134	134.6 Å²	134.6	63%	0.626	78%	0.78	S	S	*	*				58.3	125.1	88.9	-67.7	-78.8	-158	0	0	110.7
477	E	26.9	Very low	30.9	Very low	183 Å²	183	138.8 Å²	138.8	86%	0.855	79%	0.791	S	S	*	*			cis	-136.7	173.5	15.3	-57.3	-177.9	117.8	0	0	110.3
478	G	26.5	Very low	30.3	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	80%	0.795	S	S	*	*			cis	-169.4	-173.3	8.7	0	0	0	0	0	114.2
479	K	30.3	Very low	30.2	Very low	173 Å²	173	140.7 Å²	140.7	75%	0.752	80%	0.797	S	S	*	*			trans	-77.4	154.7	-167.9	-59.2	98.5	-179.3	160.9	0	112.9
480	S	28	Very low	30.9	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	79%	0.793	S	S	*	*				-167.9	137.9	86.3	44.5	0	0	0	0	116.5
481	S	27.4	Very low	31.7	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	79%	0.793	S	S	*	*			trans	31.8	125.5	148.6	57.6	0	0	0	0	123
482	L	31.1	Very low	33.1	Very low	169 Å²	169	136 Å²	136	89%	0.885	78%	0.783	S	S	*	*			trans	-52.6	150.6	147.9	-80.6	156.3	0	0	0	111.9
483	P	35.1	Very low	34.6	Very low	115 Å²	115	142 Å²	142	75%	0.747	78%	0.784	S	S	*	*				-139.7	150.9	108	38.2	-27.9	0	0	0	116.2
484	L	30.3	Very low	36.2	Very low	151 Å²	151	143.6 Å²	143.6	79%	0.791	78%	0.782	S	S	*	*			trans	24.7	109.5	147.3	-161.7	70.9	0	0	0	119.1	T486	L484-T486 PolarHBondContact O-N 2.86Å
485	A	31	Very low	38	Very low	107 Å²	107	138.7 Å²	138.7	88%	0.884	76%	0.764	S	S	*	*			trans	-71.2	110	173.6	0	0	0	0	0	112.9
486	T	30.1	Very low	40	Very low	122 Å²	122	140.3 Å²	140.3	75%	0.748	76%	0.762	S	S	*	*			trans	-94.1	139.6	167.5	48.9	0	0	0	0	111.5	L484	L484-T486 PolarHBondContact O-N 2.86Å
487	R	35.1	Very low	42.2	Very low	250 Å²	250	136.1 Å²	136.1	94%	0.943	75%	0.75	S	S	*	*			trans	-91.8	106.9	-170.6	-175.5	-169.5	-160.7	175.1	7.2	111.4
488	V	30.5	Very low	44.6	Very low	141 Å²	141	131 Å²	131	86%	0.855	73%	0.731	S	S	*	*			trans	-129.2	154.6	170.1	-176.2	0	0	0	0	110.5
489	Q	35.2	Very low	47.1	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	73%	0.727	S	S	*	*			trans	-91.2	176.2	-165.9	-110.2	-157.4	7.2	0	0	114.2
490	P	47.9	Very low	49.8	Very low	116 Å²	116	128.2 Å²	128.2	75%	0.753	71%	0.711	S	S	*	*			trans	-83.5	152	-156.2	34.2	-38.1	0	0	0	114.9
491	G	49.6	Very low	52.5	Low	81 Å²	81	126.3 Å²	126.3	84%	0.835	70%	0.697	S	S	*	*			trans	-155	12.1	-176.4	0	0	0	0	0	119.3
492	S	59.9	Low	55.4	Low	72 Å²	72	127.3 Å²	127.3	50%	0.503	69%	0.692	S	S	.	*			trans	-157	34.4	-175.9	67.7	0	0	0	0	118.5	W494 V495 F496	S492-W494 PolarHBondContact O-N 3.1Å; S492-V495 PolarHBondContact O-N 3.21Å; S492-F496 PolarHBondContact O-N 3.23Å
493	R	59.3	Low	58.1	Low	229 Å²	229	122.5 Å²	122.5	86%	0.864	68%	0.676	S	S	*	*	H	α-helix	trans	-52.5	-33.3	174.4	-66.7	-176	79.2	169.7	4.1	113	A497	R493-A497 WeakPolarHBondContact O-CB 3.31Å; R493-A497 PolarHBondContact O-N 3.08Å; R493-A497 VanDerWaalsContact O-N 3.14Å
494	W	59.1	Low	60.8	Low	219 Å²	219	120.5 Å²	120.5	83%	0.83	67%	0.665	S	S	*	*	H	α-helix	trans	-68	-36.5	173.8	-74.8	103.2	0	0	0	114.3	S492 A497 T498	S492-W494 PolarHBondContact O-N 3.1Å; W494-A497 PolarHBondContact O-N 2.85Å; W494-T498 WeakPolarHBondContact O-CG2 3.48Å; W494-T498 PolarHBondContact O-N 3.21Å; W494-T498 PolarHBondContact O-OG1 3.24Å
495	V	68.4	Low	63.8	Low	79 Å²	79	117.5 Å²	117.5	48%	0.479	65%	0.649	S	S	.	*	H	α-helix	trans	-72.4	-37.8	179.2	-175.7	0	0	0	0	110.9	S492 A497 T498 L499	S492-V495 PolarHBondContact O-N 3.21Å; V495-A497 VanDerWaalsContact C-N 3.34Å; V495-T498 WeakPolarHBondContact CA-OG1 3.31Å; V495-T498 PolarHBondContact O-N 2.85Å; V495-T498 PolarHBondContact O-OG1 2.99Å; V495-T498 VanDerWaalsContact O-OG1 3.11Å; V495-L499 HydrophobicContact CG1-CD1 4.06Å; V495-L499 HydrophobicContact CG1-CG 4.4Å; V495-L499 WeakPolarHBondContact O-CB 3.49Å; V495-L499 VanDerWaalsContact O-CG 3.24Å; V495-L499 WeakPolarHBondContact O-CG 3.3Å; V495-L499 PolarHBondContact O-N 2.92Å
496	F	69.5	Low	66.6	Low	149 Å²	149	113.9 Å²	113.9	65%	0.654	62%	0.621	S	S	*	*	H	α-helix	trans	-63.4	-42.3	171.8	-170.8	-96.6	0	0	0	111.2	S492 L499 V500	S492-F496 PolarHBondContact O-N 3.23Å; F496-L499 PolarHBondContact O-N 3.17Å; F496-V500 HydrophobicContact CD1-CG2 4.06Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CZ-CG2 3.96Å; F496-V500 WeakPolarHBondContact O-CG2 3.35Å; F496-V500 PolarHBondContact O-N 2.91Å
497	A	74.3	Confident	69.5	Low	45 Å²	45	110 Å²	110	37%	0.372	61%	0.606	S	S	.	*	H	α-helix	trans	-63.8	-41.3	176.4	0	0	0	0	0	113.1	R493 W494 V495 S501	R493-A497 WeakPolarHBondContact O-CB 3.31Å; R493-A497 PolarHBondContact O-N 3.08Å; R493-A497 VanDerWaalsContact O-N 3.14Å; W494-A497 PolarHBondContact O-N 2.85Å; V495-A497 VanDerWaalsContact C-N 3.34Å; A497-S501 WeakPolarHBondContact O-CB 3.19Å; A497-S501 PolarHBondContact O-N 3.36Å; A497-S501 PolarHBondContact O-OG 2.7Å
498	T	77.2	Confident	72.3	Confident	77 Å²	77	103.7 Å²	103.7	47%	0.472	59%	0.589	S	S	.	*	H	α-helix	trans	-69.3	-38.6	175.9	54.2	0	0	0	0	112.2	W494 V495 S501 M502	W494-T498 WeakPolarHBondContact O-CG2 3.48Å; W494-T498 PolarHBondContact O-N 3.21Å; W494-T498 PolarHBondContact O-OG1 3.24Å; V495-T498 WeakPolarHBondContact CA-OG1 3.31Å; V495-T498 PolarHBondContact O-N 2.85Å; V495-T498 PolarHBondContact O-OG1 2.99Å; V495-T498 VanDerWaalsContact O-OG1 3.11Å; T498-S501 PolarHBondContact O-N 3.21Å; T498-M502 WeakPolarHBondContact O-CB 3.47Å; T498-M502 VanDerWaalsContact O-CG 3.23Å; T498-M502 WeakPolarHBondContact O-CG 3.26Å; T498-M502 PolarHBondContact O-N 2.87Å
499	L	79.3	Confident	75.2	Confident	112 Å²	112	102 Å²	102	59%	0.586	58%	0.575	S	S	*	*	H	α-helix	trans	-62.3	-43.1	174.1	-73.2	170.5	0	0	0	112.1	V495 F496 M502 A503	V495-L499 HydrophobicContact CG1-CD1 4.06Å; V495-L499 HydrophobicContact CG1-CG 4.4Å; V495-L499 WeakPolarHBondContact O-CB 3.49Å; V495-L499 VanDerWaalsContact O-CG 3.24Å; V495-L499 WeakPolarHBondContact O-CG 3.3Å; V495-L499 PolarHBondContact O-N 2.92Å; F496-L499 PolarHBondContact O-N 3.17Å; L499-M502 PolarHBondContact O-N 3.41Å; L499-A503 WeakPolarHBondContact O-CB 3.43Å; L499-A503 PolarHBondContact O-N 3.22Å
500	V	86.7	Confident	78	Confident	67 Å²	67	98 Å²	98	41%	0.406	56%	0.563	S	S	.	*	H	α-helix	trans	-64.5	-45.4	175.1	170.9	0	0	0	0	111.2	F496 M502 A503 C504	F496-V500 HydrophobicContact CD1-CG2 4.06Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CZ-CG2 3.96Å; F496-V500 WeakPolarHBondContact O-CG2 3.35Å; F496-V500 PolarHBondContact O-N 2.91Å; V500-M502 PolarHBondContact O-N 3.08Å; V500-A503 PolarHBondContact O-N 2.82Å; V500-C504 PolarHBondContact O-N 2.84Å; V500-C504 PolarHBondContact O-SG 2.86Å
501	S	84.8	Confident	80	Confident	66 Å²	66	94.7 Å²	94.7	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.6	-70	0	0	0	0	112.6	A497 T498 C504 I505	A497-S501 WeakPolarHBondContact O-CB 3.19Å; A497-S501 PolarHBondContact O-N 3.36Å; A497-S501 PolarHBondContact O-OG 2.7Å; T498-S501 PolarHBondContact O-N 3.21Å; S501-C504 PolarHBondContact O-N 3Å; S501-I505 WeakPolarHBondContact O-CB 3.34Å; S501-I505 WeakPolarHBondContact O-CD1 3.48Å; S501-I505 VanDerWaalsContact O-CG1 3.25Å; S501-I505 WeakPolarHBondContact O-CG1 3.46Å; S501-I505 PolarHBondContact O-N 3.45Å
502	M	89.7	Confident	82	Confident	127 Å²	127	93.4 Å²	93.4	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-36.5	175.5	-72.5	-62.8	-67.7	0	0	112.2	T498 L499 V500 G506	T498-M502 WeakPolarHBondContact O-CB 3.47Å; T498-M502 VanDerWaalsContact O-CG 3.23Å; T498-M502 WeakPolarHBondContact O-CG 3.26Å; T498-M502 PolarHBondContact O-N 2.87Å; L499-M502 PolarHBondContact O-N 3.41Å; V500-M502 PolarHBondContact O-N 3.08Å; M502-G506 PolarHBondContact O-N 3.3Å
503	A	87.7	Confident	83.5	Confident	67 Å²	67	95.7 Å²	95.7	55%	0.554	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-41.2	173	0	0	0	0	0	112	L499 V500 G506 G507	L499-A503 WeakPolarHBondContact O-CB 3.43Å; L499-A503 PolarHBondContact O-N 3.22Å; V500-A503 PolarHBondContact O-N 2.82Å; A503-G506 PolarHBondContact O-N 3.1Å; A503-G507 PolarHBondContact O-N 3.36Å
504	C	90.9	Very high	84.9	Confident	74 Å²	74	88.3 Å²	88.3	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-45.5	174.2	-68.2	0	0	0	0	111.9	V500 S501 G507 I508	V500-C504 PolarHBondContact O-N 2.84Å; V500-C504 PolarHBondContact O-SG 2.86Å; S501-C504 PolarHBondContact O-N 3Å; C504-G507 PolarHBondContact O-N 3.31Å; C504-I508 VanDerWaalsContact O-CG1 3.31Å; C504-I508 WeakPolarHBondContact O-CG1 3.29Å; C504-I508 PolarHBondContact O-N 3.46Å
505	I	92.8	Very high	86.5	Confident	88 Å²	88	82.1 Å²	82.1	45%	0.451	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-43.2	175.9	-68.1	163.1	0	0	0	110.5	S501 G507 I508 L509	S501-I505 WeakPolarHBondContact O-CB 3.34Å; S501-I505 WeakPolarHBondContact O-CD1 3.48Å; S501-I505 VanDerWaalsContact O-CG1 3.25Å; S501-I505 WeakPolarHBondContact O-CG1 3.46Å; S501-I505 PolarHBondContact O-N 3.45Å; I505-G507 PolarHBondContact O-N 2.72Å; I505-I508 PolarHBondContact O-N 3.24Å; I505-L509 HydrophobicContact CG2-CD1 4.01Å; I505-L509 HydrophobicContact CG2-CG 4.48Å; I505-L509 WeakPolarHBondContact O-CB 3.41Å; I505-L509 WeakPolarHBondContact O-CG 3.38Å; I505-L509 PolarHBondContact O-N 3.43Å
506	G	90.8	Very high	87.6	Confident	30 Å²	30	80.4 Å²	80.4	31%	0.309	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-44.1	173.7	0	0	0	0	0	112.7	M502 A503 L509 V510	M502-G506 PolarHBondContact O-N 3.3Å; A503-G506 PolarHBondContact O-N 3.1Å; G506-L509 PolarHBondContact O-N 2.87Å; G506-V510 WeakPolarHBondContact O-CG2 3.45Å; G506-V510 PolarHBondContact O-N 2.75Å
507	G	91.1	Very high	88.4	Confident	41 Å²	41	76.9 Å²	76.9	42%	0.423	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-43	174.4	0	0	0	0	0	112.9	A503 C504 I505 V510 A511	A503-G507 PolarHBondContact O-N 3.36Å; C504-G507 PolarHBondContact O-N 3.31Å; I505-G507 PolarHBondContact O-N 2.72Å; G507-V510 PolarHBondContact O-N 3.36Å; G507-A511 WeakPolarHBondContact O-CB 3.46Å; G507-A511 PolarHBondContact O-N 2.88Å
508	I	93.2	Very high	89	Confident	118 Å²	118	80.7 Å²	80.7	61%	0.605	49%	0.494	S	S	*	.	H	α-helix	trans	-64.3	-41	175.2	-68.4	163.5	0	0	0	111.1	C504 I505 A511 A512	C504-I508 VanDerWaalsContact O-CG1 3.31Å; C504-I508 WeakPolarHBondContact O-CG1 3.29Å; C504-I508 PolarHBondContact O-N 3.46Å; I505-I508 PolarHBondContact O-N 3.24Å; I508-A511 PolarHBondContact O-N 3.17Å; I508-A512 WeakPolarHBondContact O-CB 3.45Å; I508-A512 PolarHBondContact O-N 2.98Å
509	L	92.5	Very high	89.4	Confident	106 Å²	106	85.7 Å²	85.7	56%	0.555	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-39.6	176.2	-72.3	169.7	0	0	0	112.1	I505 G506 A512 M513	I505-L509 HydrophobicContact CG2-CD1 4.01Å; I505-L509 HydrophobicContact CG2-CG 4.48Å; I505-L509 WeakPolarHBondContact O-CB 3.41Å; I505-L509 WeakPolarHBondContact O-CG 3.38Å; I505-L509 PolarHBondContact O-N 3.43Å; G506-L509 PolarHBondContact O-N 2.87Å; L509-A512 PolarHBondContact O-N 3.34Å; L509-M513 VanDerWaalsContact O-CB 3.29Å; L509-M513 WeakPolarHBondContact O-CB 3.26Å; L509-M513 WeakPolarHBondContact O-CG 3.4Å; L509-M513 PolarHBondContact O-N 2.84Å
510	V	93.2	Very high	89.6	Confident	95 Å²	95	89.5 Å²	89.5	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-67.6	-38.6	173.9	171.8	0	0	0	0	111.4	G506 G507 M513 T514	G506-V510 WeakPolarHBondContact O-CG2 3.45Å; G506-V510 PolarHBondContact O-N 2.75Å; G507-V510 PolarHBondContact O-N 3.36Å; V510-M513 PolarHBondContact O-N 3.04Å; V510-T514 HydrophobicContact CG1-CG2 4.45Å; V510-T514 WeakPolarHBondContact O-CB 3.29Å; V510-T514 WeakPolarHBondContact O-CG2 3.29Å; V510-T514 PolarHBondContact O-N 2.88Å; V510-T514 PolarHBondContact O-OG1 3.45Å
511	A	90.8	Very high	89.1	Confident	46 Å²	46	91.9 Å²	91.9	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-64.8	-45.2	173.4	0	0	0	0	0	111.8	G507 I508 M513 T514 I515	G507-A511 WeakPolarHBondContact O-CB 3.46Å; G507-A511 PolarHBondContact O-N 2.88Å; I508-A511 PolarHBondContact O-N 3.17Å; A511-M513 PolarHBondContact O-N 3.27Å; A511-T514 WeakPolarHBondContact CA-OG1 3.39Å; A511-T514 PolarHBondContact O-N 2.9Å; A511-T514 PolarHBondContact O-OG1 3.25Å; A511-T514 VanDerWaalsContact O-OG1 3.09Å; A511-I515 WeakPolarHBondContact O-CB 3.49Å; A511-I515 WeakPolarHBondContact O-CD1 3.32Å; A511-I515 VanDerWaalsContact O-CG1 3.24Å; A511-I515 WeakPolarHBondContact O-CG1 3.08Å; A511-I515 PolarHBondContact O-N 2.06Å
512	A	91.3	Very high	88.5	Confident	54 Å²	54	91.5 Å²	91.5	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175.6	0	0	0	0	0	111.8	I508 L509 A516	I508-A512 WeakPolarHBondContact O-CB 3.45Å; I508-A512 PolarHBondContact O-N 2.98Å; L509-A512 PolarHBondContact O-N 3.34Å; A512-A516 VanDerWaalsContact O-CB 3.23Å; A512-A516 WeakPolarHBondContact O-CB 3.27Å; A512-A516 PolarHBondContact O-N 2.84Å
513	M	91.7	Very high	87.5	Confident	121 Å²	121	92.2 Å²	92.2	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-68.3	-39.9	176.4	-79.6	-63.3	-62.9	0	0	112.9	L509 V510 A511 A516 C517	L509-M513 VanDerWaalsContact O-CB 3.29Å; L509-M513 WeakPolarHBondContact O-CB 3.26Å; L509-M513 WeakPolarHBondContact O-CG 3.4Å; L509-M513 PolarHBondContact O-N 2.84Å; V510-M513 PolarHBondContact O-N 3.04Å; A511-M513 PolarHBondContact O-N 3.27Å; M513-A516 PolarHBondContact O-N 2.9Å; M513-C517 VanDerWaalsContact O-CB 3.29Å; M513-C517 WeakPolarHBondContact O-CB 3.34Å; M513-C517 PolarHBondContact O-N 3.35Å; M513-C517 PolarHBondContact O-SG 2.85Å; M513-C517 VanDerWaalsContact O-SG 3.39Å
514	T	89.2	Confident	86.6	Confident	73 Å²	73	97.7 Å²	97.7	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-68.3	-40	175.3	50	0	0	0	0	111.5	V510 A511 A516 C517 L518	V510-T514 HydrophobicContact CG1-CG2 4.45Å; V510-T514 WeakPolarHBondContact O-CB 3.29Å; V510-T514 WeakPolarHBondContact O-CG2 3.29Å; V510-T514 PolarHBondContact O-N 2.88Å; V510-T514 PolarHBondContact O-OG1 3.45Å; A511-T514 WeakPolarHBondContact CA-OG1 3.39Å; A511-T514 PolarHBondContact O-N 2.9Å; A511-T514 PolarHBondContact O-OG1 3.25Å; A511-T514 VanDerWaalsContact O-OG1 3.09Å; T514-A516 PolarHBondContact O-N 2.93Å; T514-C517 PolarHBondContact O-N 2.83Å; T514-L518 WeakPolarHBondContact O-CB 3.49Å; T514-L518 VanDerWaalsContact O-CG 3.27Å; T514-L518 WeakPolarHBondContact O-CG 3.17Å; T514-L518 PolarHBondContact O-N 2.89Å
515	I	92.3	Very high	85.2	Confident	90 Å²	90	98.9 Å²	98.9	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-62.2	-42.2	171.3	-68.1	165.6	0	0	0	111.2	A511 L518 R519	A511-I515 WeakPolarHBondContact O-CB 3.49Å; A511-I515 WeakPolarHBondContact O-CD1 3.32Å; A511-I515 VanDerWaalsContact O-CG1 3.24Å; A511-I515 WeakPolarHBondContact O-CG1 3.08Å; A511-I515 PolarHBondContact O-N 2.06Å; I515-L518 PolarHBondContact O-N 3.16Å; I515-R519 HydrophobicContact CG2-CG 4.49Å; I515-R519 WeakPolarHBondContact O-CB 3.36Å; I515-R519 WeakPolarHBondContact O-CG 3.48Å; I515-R519 PolarHBondContact O-N 3.19Å
516	A	90.4	Very high	83.5	Confident	42 Å²	42	97.7 Å²	97.7	35%	0.347	53%	0.53	S	S	.	.	H	α-helix	trans	-66.9	-38	176.6	0	0	0	0	0	112.5	A512 M513 T514 R520	A512-A516 VanDerWaalsContact O-CB 3.23Å; A512-A516 WeakPolarHBondContact O-CB 3.27Å; A512-A516 PolarHBondContact O-N 2.84Å; M513-A516 PolarHBondContact O-N 2.9Å; T514-A516 PolarHBondContact O-N 2.93Å; A516-R520 VanDerWaalsContact O-CB 3.3Å; A516-R520 WeakPolarHBondContact O-CB 3.29Å; A516-R520 WeakPolarHBondContact O-CG 3.19Å; A516-R520 PolarHBondContact O-N 2.7Å
517	C	87.8	Confident	81.7	Confident	76 Å²	76	99.9 Å²	99.9	51%	0.514	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-44.4	172.3	-80.7	0	0	0	0	111.7	M513 T514 R520 H521	M513-C517 VanDerWaalsContact O-CB 3.29Å; M513-C517 WeakPolarHBondContact O-CB 3.34Å; M513-C517 PolarHBondContact O-N 3.35Å; M513-C517 PolarHBondContact O-SG 2.85Å; M513-C517 VanDerWaalsContact O-SG 3.39Å; T514-C517 PolarHBondContact O-N 2.83Å; C517-R520 CarbonylContact O-C 3.58Å; C517-R520 PolarHBondContact O-N 3.08Å; C517-H521 VanDerWaalsContact O-CB 3.31Å; C517-H521 WeakPolarHBondContact O-CB 3.33Å; C517-H521 PolarHBondContact O-N 3.47Å
518	L	86.9	Confident	79.5	Confident	124 Å²	124	106.3 Å²	106.3	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-64.4	-43	175.9	-73	169.3	0	0	0	111.5	T514 I515 H521 A522	T514-L518 WeakPolarHBondContact O-CB 3.49Å; T514-L518 VanDerWaalsContact O-CG 3.27Å; T514-L518 WeakPolarHBondContact O-CG 3.17Å; T514-L518 PolarHBondContact O-N 2.89Å; I515-L518 PolarHBondContact O-N 3.16Å; L518-H521 PolarHBondContact O-N 2.88Å; L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.48Å
519	R	84.8	Confident	77.3	Confident	182 Å²	182	109.9 Å²	109.9	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-63.1	-43	172.7	-74.8	-178.8	176.3	-166.6	-1.7	111.9	I515 H521 A522 H523	I515-R519 HydrophobicContact CG2-CG 4.49Å; I515-R519 WeakPolarHBondContact O-CB 3.36Å; I515-R519 WeakPolarHBondContact O-CG 3.48Å; I515-R519 PolarHBondContact O-N 3.19Å; R519-H521 VanDerWaalsContact C-N 3.31Å; R519-H521 PolarHBondContact O-N 2.88Å; R519-A522 PolarHBondContact O-N 2.91Å; R519-H523 WeakPolarHBondContact O-CB 3.4Å; R519-H523 PolarHBondContact O-CD2 2.72Å; R519-H523 VanDerWaalsContact O-CD2 3.27Å; R519-H523 PolarHBondContact O-N 3.09Å
520	R	83.1	Confident	74.9	Confident	193 Å²	193	111.7 Å²	111.7	73%	0.728	58%	0.582	S	S	*	*	H	α-helix	trans	-64.9	-32.6	172.8	-83.3	-178	163.9	-178	-3.9	112.7	A516 C517 R524	A516-R520 VanDerWaalsContact O-CB 3.3Å; A516-R520 WeakPolarHBondContact O-CB 3.29Å; A516-R520 WeakPolarHBondContact O-CG 3.19Å; A516-R520 PolarHBondContact O-N 2.7Å; C517-R520 CarbonylContact O-C 3.58Å; C517-R520 PolarHBondContact O-N 3.08Å; R520-R524 VanDerWaalsContact O-CB 3.29Å; R520-R524 WeakPolarHBondContact O-CB 3.37Å; R520-R524 VanDerWaalsContact O-CG 3.3Å; R520-R524 WeakPolarHBondContact O-CG 3.5Å; R520-R524 PolarHBondContact O-N 2.86Å
521	H	76.1	Confident	72.5	Confident	116 Å²	116	110.8 Å²	110.8	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-74	-39.7	176.3	-156.1	-81	0	0	0	111.2	C517 L518 R519 R524 L525	C517-H521 VanDerWaalsContact O-CB 3.31Å; C517-H521 WeakPolarHBondContact O-CB 3.33Å; C517-H521 PolarHBondContact O-N 3.47Å; L518-H521 PolarHBondContact O-N 2.88Å; R519-H521 VanDerWaalsContact C-N 3.31Å; R519-H521 PolarHBondContact O-N 2.88Å; H521-R524 CarbonylContact O-C 3.53Å; H521-R524 PolarHBondContact O-N 3.04Å; H521-L525 WeakPolarHBondContact ND1-CD1 3.47Å; H521-L525 WeakPolarHBondContact O-CB 3.31Å; H521-L525 VanDerWaalsContact O-CG 3.3Å; H521-L525 WeakPolarHBondContact O-CG 3.46Å; H521-L525 PolarHBondContact O-N 3.07Å
522	A	72.1	Confident	70.1	Confident	58 Å²	58	116.5 Å²	116.5	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-62.1	-46.8	171.2	0	0	0	0	0	111.5	L518 R519 R524 L525 A526	L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.48Å; R519-A522 PolarHBondContact O-N 2.91Å; A522-R524 VanDerWaalsContact C-N 3.35Å; A522-R524 PolarHBondContact O-N 3.13Å; A522-L525 PolarHBondContact O-N 3.31Å; A522-L525 VanDerWaalsContact O-N 3.16Å; A522-A526 WeakPolarHBondContact O-CB 3.27Å; A522-A526 PolarHBondContact O-N 2.85Å
523	H	69.1	Low	67.7	Low	142 Å²	142	116.4 Å²	116.4	66%	0.657	62%	0.62	S	S	*	*	H	α-helix	trans	-61.6	-38.8	172.4	-85.4	-74.7	0	0	0	112.6	R519 L525 A526 A527	R519-H523 WeakPolarHBondContact O-CB 3.4Å; R519-H523 PolarHBondContact O-CD2 2.72Å; R519-H523 VanDerWaalsContact O-CD2 3.27Å; R519-H523 PolarHBondContact O-N 3.09Å; H523-L525 VanDerWaalsContact C-N 3.33Å; H523-A526 PolarHBondContact O-N 3.4Å; H523-A527 VanDerWaalsContact O-CB 3.22Å; H523-A527 WeakPolarHBondContact O-CB 3.36Å; H523-A527 PolarHBondContact O-N 3.29Å
524	R	68.7	Low	65.3	Low	183 Å²	183	116.7 Å²	116.7	69%	0.691	63%	0.63	S	S	*	*	H	α-helix	trans	-69.7	-26.9	174	-80.7	-179.1	172.1	-160.6	-2.8	113.4	R520 H521 A522 K528	R520-R524 VanDerWaalsContact O-CB 3.29Å; R520-R524 WeakPolarHBondContact O-CB 3.37Å; R520-R524 VanDerWaalsContact O-CG 3.3Å; R520-R524 WeakPolarHBondContact O-CG 3.5Å; R520-R524 PolarHBondContact O-N 2.86Å; H521-R524 CarbonylContact O-C 3.53Å; H521-R524 PolarHBondContact O-N 3.04Å; A522-R524 VanDerWaalsContact C-N 3.35Å; A522-R524 PolarHBondContact O-N 3.13Å; R524-K528 VanDerWaalsContact O-CB 3.28Å; R524-K528 WeakPolarHBondContact O-CB 3.33Å; R524-K528 VanDerWaalsContact O-CG 3.25Å; R524-K528 WeakPolarHBondContact O-CG 3.32Å; R524-K528 PolarHBondContact O-N 3.43Å; R524-K528 VanDerWaalsContact O-N 3.15Å
525	L	61.2	Low	63.3	Low	99 Å²	99	120.6 Å²	120.6	52%	0.518	65%	0.648	S	S	.	*	H	α-helix	trans	-77.4	-40.6	172.8	-76.1	167.1	0	0	0	111.1	H521 A522 H523 K528 K529	H521-L525 WeakPolarHBondContact ND1-CD1 3.47Å; H521-L525 WeakPolarHBondContact O-CB 3.31Å; H521-L525 VanDerWaalsContact O-CG 3.3Å; H521-L525 WeakPolarHBondContact O-CG 3.46Å; H521-L525 PolarHBondContact O-N 3.07Å; A522-L525 PolarHBondContact O-N 3.31Å; A522-L525 VanDerWaalsContact O-N 3.16Å; H523-L525 VanDerWaalsContact C-N 3.33Å; L525-K528 CarbonylContact O-C 3.56Å; L525-K528 PolarHBondContact O-N 2.76Å; L525-K529 PolarHBondContact O-N 3.07Å
526	A	57.1	Low	61	Low	62 Å²	62	119 Å²	119	51%	0.512	65%	0.654	S	S	.	*	H	α-helix	trans	-60.2	-50	171.1	0	0	0	0	0	111.1	A522 H523 K528 K529	A522-A526 WeakPolarHBondContact O-CB 3.27Å; A522-A526 PolarHBondContact O-N 2.85Å; H523-A526 PolarHBondContact O-N 3.4Å; A526-K528 PolarHBondContact O-N 3.03Å; A526-K528 VanDerWaalsContact O-N 3.15Å; A526-K529 PolarHBondContact O-N 3.07Å
527	A	52.9	Low	58.7	Low	76 Å²	76	120.5 Å²	120.5	63%	0.628	67%	0.674	S	S	*	*	H	α-helix	trans	-68	-8.7	175.4	0	0	0	0	0	114.4	H523	H523-A527 VanDerWaalsContact O-CB 3.22Å; H523-A527 WeakPolarHBondContact O-CB 3.36Å; H523-A527 PolarHBondContact O-N 3.29Å
528	K	44.9	Very low	56.5	Low	176 Å²	176	121.7 Å²	121.7	77%	0.765	68%	0.683	S	S	*	*	H	α-helix	trans	-102.1	-8.5	169.4	-80.5	-174.4	171.5	-163.6	0	113.7	R524 L525 A526 L530	R524-K528 VanDerWaalsContact O-CB 3.28Å; R524-K528 WeakPolarHBondContact O-CB 3.33Å; R524-K528 VanDerWaalsContact O-CG 3.25Å; R524-K528 WeakPolarHBondContact O-CG 3.32Å; R524-K528 PolarHBondContact O-N 3.43Å; R524-K528 VanDerWaalsContact O-N 3.15Å; L525-K528 CarbonylContact O-C 3.56Å; L525-K528 PolarHBondContact O-N 2.76Å; A526-K528 PolarHBondContact O-N 3.03Å; A526-K528 VanDerWaalsContact O-N 3.15Å; K528-L530 VanDerWaalsContact C-N 3.34Å
529	K	46.7	Very low	54.5	Low	193 Å²	193	122.8 Å²	122.8	84%	0.839	68%	0.683	S	S	*	*	H	α-helix	trans	-84.4	-7.8	170.8	-97.1	-162.3	168.9	-165	0	113.5	L525 A526	L525-K529 PolarHBondContact O-N 3.07Å; A526-K529 PolarHBondContact O-N 3.07Å
530	L	42.2	Very low	52.9	Low	144 Å²	144	118.7 Å²	118.7	75%	0.754	68%	0.678	S	S	*	*	S	Bend	trans	-120.1	97.9	165.2	-71.7	171.7	0	0	0	108.6	K528 L532	K528-L530 VanDerWaalsContact C-N 3.34Å; L530-L532 VanDerWaalsContact C-N 3.3Å; L530-L532 PolarHBondContact O-N 3.18Å
531	G	43.6	Very low	51.1	Low	77 Å²	77	115.4 Å²	115.4	79%	0.794	67%	0.671	S	S	*	*			trans	-81.2	62.1	-175	0	0	0	0	0	114.1
532	L	40	Very low	49.9	Very low	166 Å²	166	115.4 Å²	115.4	87%	0.869	67%	0.671	S	S	*	*			trans	-133.4	152.1	168.3	-72.4	177.9	0	0	0	111.2	L530	L530-L532 VanDerWaalsContact C-N 3.3Å; L530-L532 PolarHBondContact O-N 3.18Å
533	G	41.4	Very low	49.1	Very low	52 Å²	52	118 Å²	118	54%	0.536	67%	0.673	S	S	.	*			trans	-73.9	170.4	-177	0	0	0	0	0	114.2	D535	G533-D535 PolarHBondContact O-N 2.91Å; G533-D535 VanDerWaalsContact O-N 3.11Å
534	P	41	Very low	48.4	Very low	127 Å²	127	119 Å²	119	83%	0.825	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-12.4	-169.6	26.6	-34.4	0	0	0	115.7
535	D	47	Very low	48.2	Very low	154 Å²	154	114.5 Å²	114.5	82%	0.824	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	3.7	-170.6	-53.1	-68.9	0	0	0	114.6	G533 G537	G533-D535 PolarHBondContact O-N 2.91Å; G533-D535 VanDerWaalsContact O-N 3.11Å; D535-G537 PolarHBondContact O-N 3.1Å
536	G	43.9	Very low	48.3	Very low	56 Å²	56	112.5 Å²	112.5	58%	0.577	65%	0.649	S	S	*	*			trans	-88.4	14.5	-174.9	0	0	0	0	0	116.5
537	G	42.9	Very low	48.6	Very low	74 Å²	74	114.8 Å²	114.8	76%	0.763	65%	0.652	S	S	*	*	S	Bend	trans	-97	-5.5	-152.6	0	0	0	0	0	119.6	D535	D535-G537 PolarHBondContact O-N 3.1Å
538	S	41.2	Very low	48.9	Very low	102 Å²	102	113.7 Å²	113.7	71%	0.713	64%	0.639	S	S	*	*	S	Bend	trans	-138.5	-17.9	-170.3	59.1	0	0	0	0	117.3
539	F	43.7	Very low	50.2	Low	147 Å²	147	112.8 Å²	112.8	65%	0.645	63%	0.631	S	S	*	*	S	Bend	trans	-88.7	-34.3	-171.2	-135.5	-98	0	0	0	114	H541 Q542 E543	F539-H541 PolarHBondContact O-N 3.27Å; F539-Q542 PolarHBondContact O-N 3.43Å; F539-E543 HydrophobicContact CD1-CG 4.27Å; F539-E543 PolarHBondContact O-N 2.83Å
540	T	52.8	Low	51	Low	95 Å²	95	109.8 Å²	109.8	58%	0.583	62%	0.62	S	S	*	*	H	α-helix	trans	-70	-29.8	-170.3	50.1	0	0	0	0	114.3	Y544	T540-Y544 WeakPolarHBondContact O-CB 3.49Å; T540-Y544 PolarHBondContact O-N 3.49Å
541	H	45.6	Very low	51.6	Low	124 Å²	124	108 Å²	108	57%	0.574	61%	0.608	S	S	*	*	H	α-helix	trans	-69.9	-35.9	177.6	-166.2	-100.7	0	0	0	111.8	F539 Q545	F539-H541 PolarHBondContact O-N 3.27Å; H541-Q545 PolarHBondContact CE1-NE2 3.22Å; H541-Q545 WeakPolarHBondContact O-CB 3.43Å; H541-Q545 WeakPolarHBondContact O-CG 3.25Å; H541-Q545 PolarHBondContact O-N 2.71Å; H541-Q545 VanDerWaalsContact O-N 3.08Å
542	Q	50	Low	52	Low	117 Å²	117	111.2 Å²	111.2	55%	0.547	60%	0.604	S	S	.	*	H	α-helix	trans	-66.4	-49.7	177.3	-160.1	81.5	23.8	0	0	110.6	F539 Y544 Q545 D546	F539-Q542 PolarHBondContact O-N 3.43Å; Q542-Y544 PolarHBondContact O-N 3.49Å; Q542-Q545 PolarHBondContact O-N 3.18Å; Q542-D546 PolarHBondContact O-N 2.89Å
543	E	56	Low	52.6	Low	112 Å²	112	106.6 Å²	106.6	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-39.9	178.7	-68.3	-175.5	131.9	0	0	112.3	F539 D546 L547	F539-E543 HydrophobicContact CD1-CG 4.27Å; F539-E543 PolarHBondContact O-N 2.83Å; E543-D546 PolarHBondContact O-N 2.83Å; E543-L547 VanDerWaalsContact O-CB 3.31Å; E543-L547 WeakPolarHBondContact O-CB 3.43Å; E543-L547 VanDerWaalsContact O-CG 3.25Å; E543-L547 WeakPolarHBondContact O-CG 3.49Å; E543-L547 PolarHBondContact O-N 2.99Å
544	Y	54.1	Low	53	Low	163 Å²	163	107.4 Å²	107.4	64%	0.639	59%	0.587	S	S	*	*	H	α-helix	trans	-63.4	-43.9	175.8	-174.7	-99.9	0	0	0	112	T540 Q542 L547 C548	T540-Y544 WeakPolarHBondContact O-CB 3.49Å; T540-Y544 PolarHBondContact O-N 3.49Å; Q542-Y544 PolarHBondContact O-N 3.49Å; Y544-L547 PolarHBondContact O-N 2.98Å; Y544-C548 PolarHBondContact O-N 3.01Å; Y544-C548 PolarHBondContact O-SG 3.12Å; Y544-C548 VanDerWaalsContact O-SG 3.32Å
545	Q	64.1	Low	53.2	Low	89 Å²	89	108.5 Å²	108.5	42%	0.416	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-41.1	176.7	-76.1	-170.7	-19.2	0	0	112.5	H541 Q542 C548 R549	H541-Q545 PolarHBondContact CE1-NE2 3.22Å; H541-Q545 WeakPolarHBondContact O-CB 3.43Å; H541-Q545 WeakPolarHBondContact O-CG 3.25Å; H541-Q545 PolarHBondContact O-N 2.71Å; H541-Q545 VanDerWaalsContact O-N 3.08Å; Q542-Q545 PolarHBondContact O-N 3.18Å; Q545-C548 WeakPolarHBondContact O-CB 3.23Å; Q545-C548 PolarHBondContact O-N 3.36Å; Q545-R549 WeakPolarHBondContact O-CB 3.09Å; Q545-R549 PolarHBondContact O-N 3.45Å
546	D	63	Low	53.1	Low	57 Å²	57	104.2 Å²	104.2	31%	0.305	57%	0.57	S	S	.	*	H	α-helix	trans	-75.7	-28.2	178.2	-76.8	-18.7	0	0	0	113.2	Q542 E543 R549 Q550	Q542-D546 PolarHBondContact O-N 2.89Å; E543-D546 PolarHBondContact O-N 2.83Å; D546-R549 WeakPolarHBondContact O-CB 3.44Å; D546-R549 PolarHBondContact O-N 3.39Å; D546-R549 IonicContact OD1-CZ 3.84Å; D546-R549 VanDerWaalsContact OD1-CZ 3.31Å; D546-R549 IonicContact OD1-NE 3.43Å; D546-R549 PolarHBondContact OD1-NE 2.9Å; D546-R549 IonicContact OD1-NH2 2.59Å; D546-R549 PolarHBondContact OD1-NH2 2.93Å; D546-Q550 WeakPolarHBondContact O-CB 3.43Å; D546-Q550 VanDerWaalsContact O-CG 3.25Å; D546-Q550 WeakPolarHBondContact O-CG 3.43Å; D546-Q550 PolarHBondContact O-N 2.89Å
547	L	63.3	Low	53.2	Low	109 Å²	109	104.7 Å²	104.7	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-43	166.2	-77.6	166.9	0	0	0	111.5	E543 Y544 R549 Q550 H551	E543-L547 VanDerWaalsContact O-CB 3.31Å; E543-L547 WeakPolarHBondContact O-CB 3.43Å; E543-L547 VanDerWaalsContact O-CG 3.25Å; E543-L547 WeakPolarHBondContact O-CG 3.49Å; E543-L547 PolarHBondContact O-N 2.99Å; Y544-L547 PolarHBondContact O-N 2.98Å; L547-R549 VanDerWaalsContact C-N 3.34Å; L547-R549 PolarHBondContact O-N 3.49Å; L547-Q550 PolarHBondContact O-N 2.59Å; L547-H551 WeakPolarHBondContact O-CB 3.37Å; L547-H551 PolarHBondContact O-N 3Å
548	C	60.4	Low	53	Low	54 Å²	54	110.3 Å²	110.3	37%	0.365	57%	0.573	S	S	.	*	H	α-helix	trans	-61.6	-41.7	171.5	-69.6	0	0	0	0	111.7	Y544 Q545 Q550 H551 M552	Y544-C548 PolarHBondContact O-N 3.01Å; Y544-C548 PolarHBondContact O-SG 3.12Å; Y544-C548 VanDerWaalsContact O-SG 3.32Å; Q545-C548 WeakPolarHBondContact O-CB 3.23Å; Q545-C548 PolarHBondContact O-N 3.36Å; C548-Q550 PolarHBondContact O-N 3.05Å; C548-H551 PolarHBondContact O-N 2.8Å; C548-M552 WeakPolarHBondContact O-CG 3.33Å; C548-M552 PolarHBondContact O-N 2.76Å
549	R	71.4	Confident	52.9	Low	157 Å²	157	109 Å²	109	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-61.4	-43	176.6	-147.9	-172.1	-53.4	-93.8	1.6	111.7	Q545 D546 L547 A553	Q545-R549 WeakPolarHBondContact O-CB 3.09Å; Q545-R549 PolarHBondContact O-N 3.45Å; D546-R549 WeakPolarHBondContact O-CB 3.44Å; D546-R549 PolarHBondContact O-N 3.39Å; D546-R549 IonicContact OD1-CZ 3.84Å; D546-R549 VanDerWaalsContact OD1-CZ 3.31Å; D546-R549 IonicContact OD1-NE 3.43Å; D546-R549 PolarHBondContact OD1-NE 2.9Å; D546-R549 IonicContact OD1-NH2 2.59Å; D546-R549 PolarHBondContact OD1-NH2 2.93Å; L547-R549 VanDerWaalsContact C-N 3.34Å; L547-R549 PolarHBondContact O-N 3.49Å; R549-A553 WeakPolarHBondContact O-CB 3.33Å; R549-A553 PolarHBondContact O-N 3.47Å
550	Q	62.6	Low	52.8	Low	130 Å²	130	112.4 Å²	112.4	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-69.4	-37.4	175.8	-71.5	174	28.2	0	0	112.8	D546 L547 C548 A553 S554	D546-Q550 WeakPolarHBondContact O-CB 3.43Å; D546-Q550 VanDerWaalsContact O-CG 3.25Å; D546-Q550 WeakPolarHBondContact O-CG 3.43Å; D546-Q550 PolarHBondContact O-N 2.89Å; L547-Q550 PolarHBondContact O-N 2.59Å; C548-Q550 PolarHBondContact O-N 3.05Å; Q550-A553 PolarHBondContact O-N 2.88Å; Q550-S554 WeakPolarHBondContact O-CB 3.49Å; Q550-S554 PolarHBondContact O-N 2.91Å; Q550-S554 PolarHBondContact O-OG 2.93Å
551	H	54.8	Low	52	Low	106 Å²	106	115.2 Å²	115.2	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-66.3	-38.3	175.6	-168.3	86.2	0	0	0	112	L547 C548 S554 K555	L547-H551 WeakPolarHBondContact O-CB 3.37Å; L547-H551 PolarHBondContact O-N 3Å; C548-H551 PolarHBondContact O-N 2.8Å; H551-S554 WeakPolarHBondContact CA-OG 3.42Å; H551-S554 PolarHBondContact O-OG 2.91Å; H551-K555 PolarHBondContact NE2-NZ 2.86Å; H551-K555 PolarHBondContact O-N 2.84Å
552	M	52.3	Low	51.6	Low	144 Å²	144	118.2 Å²	118.2	71%	0.709	61%	0.609	S	S	*	*	H	α-helix	trans	-68.6	-42.8	173.5	-70.1	-70.6	-83	0	0	111.9	C548 K555	C548-M552 WeakPolarHBondContact O-CG 3.33Å; C548-M552 PolarHBondContact O-N 2.76Å; M552-K555 PolarHBondContact O-N 2.85Å
553	A	51.9	Low	50.7	Low	69 Å²	69	117.4 Å²	117.4	57%	0.57	62%	0.623	S	S	*	*	H	α-helix	trans	-63.8	-42.5	178.1	0	0	0	0	0	113	R549 Q550 G556	R549-A553 WeakPolarHBondContact O-CB 3.33Å; R549-A553 PolarHBondContact O-N 3.47Å; Q550-A553 PolarHBondContact O-N 2.88Å; A553-G556 PolarHBondContact O-N 2.92Å
554	S	49.9	Very low	49.7	Very low	69 Å²	69	116.2 Å²	116.2	48%	0.483	63%	0.632	S	S	.	*	H	α-helix	trans	-67.9	-33.7	179.4	48.5	0	0	0	0	113.3	Q550 H551 G556 A557	Q550-S554 WeakPolarHBondContact O-CB 3.49Å; Q550-S554 PolarHBondContact O-N 2.91Å; Q550-S554 PolarHBondContact O-OG 2.93Å; H551-S554 WeakPolarHBondContact CA-OG 3.42Å; H551-S554 PolarHBondContact O-OG 2.91Å; S554-G556 PolarHBondContact O-N 3.24Å; S554-A557 PolarHBondContact O-N 3.05Å; S554-A557 VanDerWaalsContact O-N 3.15Å
555	K	46.6	Very low	48.8	Very low	151 Å²	151	112.4 Å²	112.4	66%	0.657	63%	0.634	S	S	*	*	H	α-helix	trans	-63.4	-25.5	172.9	-111.3	168.7	-179.1	156.2	0	113.9	H551 M552	H551-K555 PolarHBondContact NE2-NZ 2.86Å; H551-K555 PolarHBondContact O-N 2.84Å; M552-K555 PolarHBondContact O-N 2.85Å
556	G	43.5	Very low	47.5	Very low	63 Å²	63	116.5 Å²	116.5	65%	0.649	66%	0.658	S	S	*	*	H	α-helix	trans	-76.4	-19.2	174.6	0	0	0	0	0	114.8	A553 S554	A553-G556 PolarHBondContact O-N 2.92Å; S554-G556 PolarHBondContact O-N 3.24Å
557	A	46.8	Very low	45.9	Very low	67 Å²	67	118.6 Å²	118.6	55%	0.554	68%	0.683	S	S	*	*	H	α-helix	trans	-92.9	-35.2	-171.6	0	0	0	0	0	114	S554 G559	S554-A557 PolarHBondContact O-N 3.05Å; S554-A557 VanDerWaalsContact O-N 3.15Å; A557-G559 VanDerWaalsContact C-N 3.33Å; A557-G559 PolarHBondContact O-N 3.33Å
558	F	38.1	Very low	44.3	Very low	192 Å²	192	117.8 Å²	117.8	84%	0.842	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-11.6	-170.4	-136	-91.3	0	0	0	114.7
559	G	39.2	Very low	42.7	Very low	75 Å²	75	118.5 Å²	118.5	77%	0.773	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	5.6	178.7	0	0	0	0	0	115.6	A557	A557-G559 VanDerWaalsContact C-N 3.33Å; A557-G559 PolarHBondContact O-N 3.33Å
560	R	41.5	Very low	40.8	Very low	218 Å²	218	118.5 Å²	118.5	82%	0.823	74%	0.735	S	S	*	*	S	Bend	trans	-133	9.6	-166.1	-140.3	178.7	-172.1	178.5	3.1	117
561	L	37.2	Very low	39.2	Very low	154 Å²	154	115.5 Å²	115.5	81%	0.806	74%	0.738	S	S	*	*	S	Bend	trans	-105.5	-27.8	178	-135.8	78.1	0	0	0	114.5
562	E	36.2	Very low	39	Very low	187 Å²	187	116.3 Å²	116.3	87%	0.874	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-4.6	-171.9	-150.7	161.6	-142.6	0	0	114.1
563	A	32.6	Very low	37.8	Very low	100 Å²	100	117.1 Å²	117.1	83%	0.826	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	10.3	175.9	0	0	0	0	0	114.1
564	A	33.6	Very low	36.8	Very low	87 Å²	87	117.4 Å²	117.4	72%	0.719	76%	0.758	S	S	*	*	S	Bend	trans	-112.6	-2.4	-175	0	0	0	0	0	114.5
565	A	35	Very low	35.9	Very low	83 Å²	83	124.4 Å²	124.4	69%	0.686	77%	0.774	S	S	*	*	S	Bend	trans	-96.5	-17.7	-169.2	0	0	0	0	0	115.6
566	L	37.2	Very low	35.1	Very low	175 Å²	175	122.8 Å²	122.8	92%	0.916	78%	0.776	S	S	*	*	S	Bend	trans	-140.1	53.9	-167.6	-70.2	176.4	0	0	0	114.4
567	A	30.8	Very low	34.5	Very low	101 Å²	101	125.2 Å²	125.2	84%	0.835	78%	0.783	S	S	*	*			trans	-157.4	56.3	169.4	0	0	0	0	0	114.3
568	G	28.1	Very low	33.7	Very low	91 Å²	91	128 Å²	128	94%	0.938	80%	0.799	S	S	*	*			trans	-95.8	98.4	169.2	0	0	0	0	0	111.8
569	G	28.3	Very low	33.3	Very low	69 Å²	69	125 Å²	125	71%	0.711	80%	0.796	S	S	*	*			trans	174.7	95.2	177.8	0	0	0	0	0	117.7
570	V	30.4	Very low	32.8	Very low	158 Å²	158	126.7 Å²	126.7	96%	0.958	80%	0.796	S	S	*	*			trans	42	127.1	139.4	-171.7	0	0	0	0	120.6
571	G	29	Very low	32.3	Very low	66 Å²	66	122.4 Å²	122.4	68%	0.68	80%	0.799	S	S	*	*			trans	113.2	117.5	135.9	0	0	0	0	0	117.3
572	P	50.4	Low	32.1	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	80%	0.799	S	S	*	*			trans	-95.3	152.9	167.4	37	-31.4	0	0	0	111.9
573	D	28	Very low	31.7	Very low	160 Å²	160	123.6 Å²	123.6	86%	0.856	80%	0.798	S	S	*	*				-161.5	-175.7	124.9	-136.3	-46.3	0	0	0	112.5
574	S	30.2	Very low	31.6	Very low	75 Å²	75	124.6 Å²	124.6	52%	0.524	80%	0.799	S	S	.	*			trans	-104.7	171.6	-150.2	53.6	0	0	0	0	116.1
575	R	31.6	Very low	31.4	Very low	216 Å²	216	128.1 Å²	128.1	82%	0.815	81%	0.806	S	S	*	*				107.8	139	124.6	-114.8	178.8	-174.8	113.5	-3.7	121.1
576	V	29.9	Very low	31	Very low	117 Å²	117	128 Å²	128	71%	0.709	81%	0.813	S	S	*	*			trans	46.2	106.8	158.2	-75	0	0	0	0	122.5
577	S	30.6	Very low	30.7	Very low	114 Å²	114	124 Å²	124	80%	0.797	81%	0.805	S	S	*	*				37	118.6	104.8	-45.9	0	0	0	0	120.9
578	S	30	Very low	30.6	Very low	125 Å²	125	127.2 Å²	127.2	87%	0.874	80%	0.803	S	S	*	*			trans	-153.6	176.5	131.1	52.3	0	0	0	0	109.7
579	V	28.8	Very low	30.7	Very low	131 Å²	131	128.4 Å²	128.4	79%	0.794	79%	0.794	S	S	*	*			trans	-134.8	152.7	-151.1	-144.9	0	0	0	0	113.8
580	S	29.1	Very low	30.7	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	80%	0.797	S	S	*	*			trans	74.7	109.9	154.3	-57.2	0	0	0	0	119.8
581	S	30.3	Very low	30.9	Very low	127 Å²	127	128.9 Å²	128.9	89%	0.888	79%	0.791	S	S	*	*				-161.6	174	111.7	50.4	0	0	0	0	110.8
582	Q	34.8	Very low	30.8	Very low	171 Å²	171	131 Å²	131	80%	0.799	80%	0.795	S	S	*	*			trans	-104.8	172	-167.8	-63.9	174.9	-12.1	0	0	113.2
583	F	26.7	Very low	30.1	Very low	195 Å²	195	130.6 Å²	130.6	86%	0.855	80%	0.795	S	S	*	*			trans	69.5	117.3	174.3	-77.8	-94.8	0	0	0	117.6
584	S	31.3	Very low	30.5	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	80%	0.796	S	S	*	*			trans	-140.7	134.7	160.8	-65	0	0	0	0	109.2
585	D	29.3	Very low	30.4	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	81%	0.806	S	S	*	*			trans	-69.3	133.9	176.7	-73.7	-60.5	0	0	0	112.4	A587	D585-A587 VanDerWaalsContact C-N 3.32Å; D585-A587 PolarHBondContact O-N 2.61Å; D585-A587 VanDerWaalsContact O-N 3.08Å
586	G	25.9	Very low	30.5	Very low	81 Å²	81	129.5 Å²	129.5	84%	0.835	81%	0.811	S	S	*	*			trans	-81.9	67.4	172.9	0	0	0	0	0	113	Q588	G586-Q588 PolarHBondContact O-N 3.43Å
587	A	30.4	Very low	30.6	Very low	92 Å²	92	129 Å²	129	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.3	123.7	-179.6	0	0	0	0	0	112.6	D585	D585-A587 VanDerWaalsContact C-N 3.32Å; D585-A587 PolarHBondContact O-N 2.61Å; D585-A587 VanDerWaalsContact O-N 3.08Å
588	Q	30	Very low	30.7	Very low	168 Å²	168	128.6 Å²	128.6	79%	0.785	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-47	133	-176.2	-63.3	-82.8	-81.2	0	0	115.5	G586	G586-Q588 PolarHBondContact O-N 3.43Å
589	P	28.5	Very low	30.9	Very low	115 Å²	115	126.9 Å²	126.9	75%	0.747	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.4	150	31.5	-30.5	0	0	0	109.2
590	S	29.9	Very low	31.7	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.5	133.7	175.8	-63.7	0	0	0	0	110.6	S592	S590-S592 PolarHBondContact O-N 2.79Å
591	P	33.3	Very low	31.9	Very low	126 Å²	126	124.8 Å²	124.8	82%	0.818	76%	0.764	S	S	*	*			trans	-70.7	115.3	177.2	28.8	-33.4	0	0	0	110.1
592	S	27.6	Very low	32.4	Very low	111 Å²	111	127.3 Å²	127.3	78%	0.776	76%	0.761	S	S	*	*			trans	-70.3	129	174.4	55.5	0	0	0	0	110.9	S590 H594	S590-S592 PolarHBondContact O-N 2.79Å; S592-H594 PolarHBondContact O-N 3.43Å
593	S	36	Very low	32.4	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	76%	0.756	S	S	*	*	S	Bend	trans	-58	105.3	169.8	-51.7	0	0	0	0	111.2
594	H	36.8	Very low	33.1	Very low	192 Å²	192	120.8 Å²	120.8	89%	0.889	74%	0.741	S	S	*	*			trans	172.8	88.4	151.3	-91.7	-58.9	0	0	0	111	S592	S592-H594 PolarHBondContact O-N 3.43Å
595	S	27.3	Very low	33.8	Very low	104 Å²	104	120 Å²	120	73%	0.727	74%	0.741	S	S	*	*			trans	-151.3	125	159	53.4	0	0	0	0	111	T597	S595-T597 PolarHBondContact O-N 2.89Å
596	S	34.6	Very low	34.7	Very low	132 Å²	132	120.2 Å²	120.2	92%	0.923	74%	0.737	S	S	*	*			trans	-96.3	68.8	-176.8	-60.1	0	0	0	0	111.3
597	T	30.5	Very low	36.2	Very low	108 Å²	108	117.9 Å²	117.9	66%	0.663	71%	0.71	S	S	*	*	S	Bend	trans	-133.1	138.9	168.2	42.6	0	0	0	0	110.2	S595 S599	S595-T597 PolarHBondContact O-N 2.89Å; T597-S599 PolarHBondContact O-N 2.81Å
598	P	33.7	Very low	37.6	Very low	104 Å²	104	119.9 Å²	119.9	68%	0.675	71%	0.708	S	S	*	*			trans	-73.2	94.8	177.3	30	-33.4	0	0	0	109.5	W600	P598-W600 VanDerWaalsContact C-N 3.26Å; P598-W600 PolarHBondContact O-N 3.24Å
599	S	34.8	Very low	39.6	Very low	90 Å²	90	112.5 Å²	112.5	63%	0.629	67%	0.673	S	S	*	*			trans	-70.6	83.8	172.5	-174.4	0	0	0	0	109.8	T597	T597-S599 PolarHBondContact O-N 2.81Å
600	W	44.5	Very low	42	Very low	119 Å²	119	110 Å²	110	45%	0.451	65%	0.654	S	S	.	*			trans	-70.7	127.3	164	-62.6	100.1	0	0	0	108.5	P598 E602	P598-W600 VanDerWaalsContact C-N 3.26Å; P598-W600 PolarHBondContact O-N 3.24Å; W600-E602 PolarHBondContact O-N 3.02Å; W600-E602 VanDerWaalsContact O-N 3.08Å
601	C	34.6	Very low	44.5	Very low	78 Å²	78	108.5 Å²	108.5	53%	0.527	64%	0.636	S	S	.	*			trans	-70.8	103.8	165.8	-64.6	0	0	0	0	108.2	E603	C601-E603 VanDerWaalsContact C-N 3.33Å
602	E	39	Very low	46.8	Very low	179 Å²	179	106.7 Å²	106.7	84%	0.836	63%	0.626	S	S	*	*			trans	-67.9	-38.8	-177.6	-163.2	154.6	-137.6	0	0	110.9	W600 K818	W600-E602 PolarHBondContact O-N 3.02Å; W600-E602 VanDerWaalsContact O-N 3.08Å; E602-K818 PolarHBondContact O-NZ 3.41Å
603	E	35.4	Very low	49.3	Very low	149 Å²	149	102 Å²	102	70%	0.696	59%	0.593	S	S	*	*	S	Bend	trans	-65.9	126.1	176.1	-163.4	164.7	-162.3	0	0	111.8	C601	C601-E603 VanDerWaalsContact C-N 3.33Å
604	P	42.3	Very low	51.6	Low	81 Å²	81	96.5 Å²	96.5	53%	0.526	56%	0.555	S	S	.	*			trans	-70	138	175	29.9	-33.3	0	0	0	110.2	Q606	P604-Q606 PolarHBondContact O-N 3.49Å
605	A	45.7	Very low	54	Low	104 Å²	104	92.4 Å²	92.4	86%	0.86	54%	0.536	S	S	*	.			trans	-60.1	106.8	164.9	0	0	0	0	0	108.2	A607	A605-A607 PolarHBondContact O-N 3.15Å
606	Q	48.5	Very low	56.7	Low	166 Å²	166	92.5 Å²	92.5	78%	0.776	53%	0.526	S	S	*	.			trans	-60.9	120	-177	-64.4	-178.6	3.5	0	0	108.7	P604 N608	P604-Q606 PolarHBondContact O-N 3.49Å; Q606-N608 PolarHBondContact O-N 3.46Å; Q606-N608 VanDerWaalsContact O-N 3.11Å
607	A	56.1	Low	59	Low	32 Å²	32	86.6 Å²	86.6	26%	0.264	48%	0.484	S	S	.	.			trans	-66.9	112	177.6	0	0	0	0	0	108.3	A605 M609 I895	A605-A607 PolarHBondContact O-N 3.15Å; A607-M609 PolarHBondContact O-N 2.72Å; A607-I895 HydrophobicContact CB-CG2 4.08Å
608	N	60.9	Low	61.7	Low	133 Å²	133	82.3 Å²	82.3	71%	0.711	46%	0.457	S	S	*	.			trans	-79.4	50.9	180	-167.4	38.9	0	0	0	111.1	Q606	Q606-N608 PolarHBondContact O-N 3.46Å; Q606-N608 VanDerWaalsContact O-N 3.11Å
609	M	71.3	Confident	64.2	Low	13 Å²	13	80.4 Å²	80.4	6%	0.064	45%	0.45	C	S	.	.			trans	-112.9	117	-179.4	-179.7	-179.3	73.6	0	0	107.7	A607 T613 I617 V892 I895 L896	A607-M609 PolarHBondContact O-N 2.72Å; M609-T613 HydrophobicContact CG-CG2 4.47Å; M609-I617 HydrophobicContact SD-CD1 4.41Å; M609-V892 HydrophobicContact CE-CG1 4.32Å; M609-I895 HydrophobicContact CE-CB 4.26Å; M609-I895 HydrophobicContact CE-CG2 3.74Å; M609-L896 HydrophobicContact CE-CG 4.5Å
610	D	78.9	Confident	66.6	Low	62 Å²	62	79.7 Å²	79.7	33%	0.332	43%	0.434	S	S	.	.			trans	-68.5	148.6	174.8	65.4	-85	0	0	0	111.4	S612 T613 G614	D610-S612 PolarHBondContact O-N 3.08Å; D610-S612 WeakPolarHBondContact OD2-CB 3.48Å; D610-S612 PolarHBondContact OD2-N 2.67Å; D610-S612 PolarHBondContact OD2-OG 2.69Å; D610-T613 PolarHBondContact O-N 2.76Å; D610-T613 VanDerWaalsContact O-N 3.14Å; D610-T613 VanDerWaalsContact OD1-CB 3.27Å; D610-T613 WeakPolarHBondContact OD1-CB 3.1Å; D610-T613 PolarHBondContact OD1-OG1 3.01Å; D610-T613 PolarHBondContact OD2-N 2.99Å; D610-T613 PolarHBondContact OD2-OG1 3.48Å; D610-T613 VanDerWaalsContact OD2-OG1 3.07Å; D610-G614 PolarHBondContact O-N 3.44Å
611	I	83	Confident	68.6	Low	82 Å²	82	74.2 Å²	74.2	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-55.3	-38.3	-175.7	-66.1	169.2	0	0	0	111.2	G614 H615 L896 L899	I611-G614 PolarHBondContact O-N 2.81Å; I611-H615 PolarHBondContact O-CD2 3.4Å; I611-H615 PolarHBondContact O-N 3.15Å; I611-L896 HydrophobicContact CG2-CD2 4.31Å; I611-L899 HydrophobicContact CG1-CD1 3.69Å
612	S	81.9	Confident	71	Confident	87 Å²	87	73.9 Å²	73.9	61%	0.608	40%	0.404	S	S	*	.	H	α-helix	trans	-62.9	-51.9	175.7	21.4	0	0	0	0	113.3	D610 G614 H615 M616	D610-S612 PolarHBondContact O-N 3.08Å; D610-S612 WeakPolarHBondContact OD2-CB 3.48Å; D610-S612 PolarHBondContact OD2-N 2.67Å; D610-S612 PolarHBondContact OD2-OG 2.69Å; S612-G614 VanDerWaalsContact C-N 3.3Å; S612-G614 PolarHBondContact O-N 3.4Å; S612-H615 PolarHBondContact O-N 3.4Å; S612-M616 WeakPolarHBondContact O-CB 3.42Å; S612-M616 PolarHBondContact O-N 2.96Å
613	T	80	Confident	73.2	Confident	12 Å²	12	69 Å²	69	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-42.2	175.7	-63.1	0	0	0	0	110.9	M609 D610 H615 M616 I617 K856	M609-T613 HydrophobicContact CG-CG2 4.47Å; D610-T613 PolarHBondContact O-N 2.76Å; D610-T613 VanDerWaalsContact O-N 3.14Å; D610-T613 VanDerWaalsContact OD1-CB 3.27Å; D610-T613 WeakPolarHBondContact OD1-CB 3.1Å; D610-T613 PolarHBondContact OD1-OG1 3.01Å; D610-T613 PolarHBondContact OD2-N 2.99Å; D610-T613 PolarHBondContact OD2-OG1 3.48Å; D610-T613 VanDerWaalsContact OD2-OG1 3.07Å; T613-H615 PolarHBondContact O-N 3.34Å; T613-M616 PolarHBondContact O-N 3.47Å; T613-I617 HydrophobicContact CG2-CD1 3.77Å; T613-I617 HydrophobicContact CG2-CG1 4.43Å; T613-I617 WeakPolarHBondContact O-CB 3.47Å; T613-I617 VanDerWaalsContact O-CG1 3.3Å; T613-I617 WeakPolarHBondContact O-CG1 3.41Å; T613-I617 PolarHBondContact O-N 3.14Å; T613-K856 HydrophobicContact CG2-CB 4.24Å; T613-K856 HydrophobicContact CG2-CG 4.12Å
614	G	84.1	Confident	75.5	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-43.5	176.5	0	0	0	0	0	113.3	D610 I611 S612 I617 L618 V892	D610-G614 PolarHBondContact O-N 3.44Å; I611-G614 PolarHBondContact O-N 2.81Å; S612-G614 VanDerWaalsContact C-N 3.3Å; S612-G614 PolarHBondContact O-N 3.4Å; G614-I617 PolarHBondContact O-N 3.04Å; G614-L618 WeakPolarHBondContact O-CB 3.49Å; G614-L618 PolarHBondContact O-N 3.06Å; G614-V892 WeakPolarHBondContact O-CG1 3.27Å
615	H	86.1	Confident	77.6	Confident	106 Å²	106	60 Å²	60	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-36.3	175.5	-83	-65.9	0	0	0	113.1	I611 S612 T613 L618 A619	I611-H615 PolarHBondContact O-CD2 3.4Å; I611-H615 PolarHBondContact O-N 3.15Å; S612-H615 PolarHBondContact O-N 3.4Å; T613-H615 PolarHBondContact O-N 3.34Å; H615-L618 PolarHBondContact O-N 2.78Å; H615-A619 WeakPolarHBondContact O-CB 3.48Å; H615-A619 PolarHBondContact O-N 3Å
616	M	84.3	Confident	79.7	Confident	106 Å²	106	63.6 Å²	63.6	52%	0.522	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-47.4	174.3	-176.6	-177.8	74.6	0	0	111.3	S612 T613 A619 Y620 K856	S612-M616 WeakPolarHBondContact O-CB 3.42Å; S612-M616 PolarHBondContact O-N 2.96Å; T613-M616 PolarHBondContact O-N 3.47Å; M616-A619 PolarHBondContact O-N 3.44Å; M616-Y620 WeakPolarHBondContact O-CB 3.12Å; M616-Y620 PolarHBondContact O-N 3.32Å; M616-K856 WeakPolarHBondContact CE-O 3.3Å
617	I	83.3	Confident	81.8	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-47	174.2	-72.4	168.1	0	0	0	110.7	M609 T613 G614 A619 Y620 M621 M851 I858 V892	M609-I617 HydrophobicContact SD-CD1 4.41Å; T613-I617 HydrophobicContact CG2-CD1 3.77Å; T613-I617 HydrophobicContact CG2-CG1 4.43Å; T613-I617 WeakPolarHBondContact O-CB 3.47Å; T613-I617 VanDerWaalsContact O-CG1 3.3Å; T613-I617 WeakPolarHBondContact O-CG1 3.41Å; T613-I617 PolarHBondContact O-N 3.14Å; G614-I617 PolarHBondContact O-N 3.04Å; I617-A619 PolarHBondContact O-N 3.48Å; I617-Y620 WeakPolarHBondContact O-CB 3.4Å; I617-Y620 PolarHBondContact O-N 3.42Å; I617-M621 HydrophobicContact CG2-CG 4.49Å; I617-M621 WeakPolarHBondContact O-CG 3.47Å; I617-M621 PolarHBondContact O-N 2.89Å; I617-M851 HydrophobicContact CD1-CE 4.31Å; I617-M851 HydrophobicContact CD1-CG 4.26Å; I617-M851 HydrophobicContact CG2-CE 3.39Å; I617-M851 HydrophobicContact CG2-SD 4.26Å; I617-I858 HydrophobicContact CD1-CD1 4.13Å; I617-V892 HydrophobicContact CG2-CG1 4.21Å; I617-V892 HydrophobicContact CG2-CG2 3.97Å
618	L	86.6	Confident	83.4	Confident	18 Å²	18	63.3 Å²	63.3	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-43.4	-179.7	-172.8	67.2	0	0	0	111.7	G614 H615 M621 E622 A889 V892 N893 L896	G614-L618 WeakPolarHBondContact O-CB 3.49Å; G614-L618 PolarHBondContact O-N 3.06Å; H615-L618 PolarHBondContact O-N 2.78Å; L618-M621 PolarHBondContact O-N 3.43Å; L618-E622 WeakPolarHBondContact O-CB 3.4Å; L618-E622 WeakPolarHBondContact O-CG 3.47Å; L618-E622 PolarHBondContact O-N 3.03Å; L618-A889 HydrophobicContact CD1-CB 4.36Å; L618-A889 WeakPolarHBondContact CD1-O 3.44Å; L618-V892 HydrophobicContact CB-CG1 4.19Å; L618-N893 HydrophobicContact CD1-CB 3.96Å; L618-N893 HydrophobicContact CD2-CB 4.36Å; L618-L896 HydrophobicContact CD2-CD1 4.19Å
619	A	86.4	Confident	84.9	Confident	63 Å²	63	62.2 Å²	62.2	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-42	176.7	0	0	0	0	0	112.3	H615 M616 I617 E622 D623	H615-A619 WeakPolarHBondContact O-CB 3.48Å; H615-A619 PolarHBondContact O-N 3Å; M616-A619 PolarHBondContact O-N 3.44Å; I617-A619 PolarHBondContact O-N 3.48Å; A619-E622 PolarHBondContact O-N 3.49Å; A619-D623 PolarHBondContact O-N 3.05Å
620	Y	84.8	Confident	85.8	Confident	75 Å²	75	65 Å²	65	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-49.8	174.2	173.6	-96.6	0	0	0	111.7	M616 I617 E622 D623 H624 I858	M616-Y620 WeakPolarHBondContact O-CB 3.12Å; M616-Y620 PolarHBondContact O-N 3.32Å; I617-Y620 WeakPolarHBondContact O-CB 3.4Å; I617-Y620 PolarHBondContact O-N 3.42Å; Y620-E622 PolarHBondContact O-N 2.72Å; Y620-D623 PolarHBondContact O-N 2.82Å; Y620-H624 AromaticContact CE1-CE1 3.86Å; Y620-H624 AromaticContact CE1-ND1 3.58Å; Y620-H624 AromaticContact CZ-CE1 3.58Å; Y620-H624 AromaticContact CZ-ND1 3.61Å; Y620-H624 WeakPolarHBondContact O-CB 3.42Å; Y620-H624 PolarHBondContact O-N 2.76Å; Y620-H624 PolarHBondContact OH-CE1 3.24Å; Y620-I858 WeakPolarHBondContact CE1-O 3.42Å
621	M	86.3	Confident	86.3	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.02	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-33.9	179.9	-59.2	-155	91.6	0	0	112.9	I617 L618 H624 L625 I860 L885 V888 A889	I617-M621 HydrophobicContact CG2-CG 4.49Å; I617-M621 WeakPolarHBondContact O-CG 3.47Å; I617-M621 PolarHBondContact O-N 2.89Å; L618-M621 PolarHBondContact O-N 3.43Å; M621-H624 WeakPolarHBondContact O-CB 3.26Å; M621-H624 PolarHBondContact O-N 2.73Å; M621-L625 WeakPolarHBondContact O-CB 3.2Å; M621-L625 VanDerWaalsContact O-CG 3.28Å; M621-L625 WeakPolarHBondContact O-CG 3.34Å; M621-L625 PolarHBondContact O-N 2.99Å; M621-I860 HydrophobicContact CE-CD1 4.01Å; M621-L885 HydrophobicContact CE-CB 4.04Å; M621-L885 HydrophobicContact CE-CG 3.89Å; M621-V888 HydrophobicContact CE-CB 3.96Å; M621-V888 HydrophobicContact CE-CG1 4.02Å; M621-V888 HydrophobicContact SD-CB 3.78Å; M621-V888 HydrophobicContact SD-CG1 3.41Å; M621-V888 WeakPolarHBondContact SD-CG1 3.37Å; M621-A889 HydrophobicContact CB-CB 3.97Å; M621-A889 HydrophobicContact SD-CB 4.4Å
622	E	86.3	Confident	86.7	Confident	72 Å²	72	62.4 Å²	62.4	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-38.7	173	-80.8	-160.1	-147.2	0	0	112.8	L618 A619 Y620 R626	L618-E622 WeakPolarHBondContact O-CB 3.4Å; L618-E622 WeakPolarHBondContact O-CG 3.47Å; L618-E622 PolarHBondContact O-N 3.03Å; A619-E622 PolarHBondContact O-N 3.49Å; Y620-E622 PolarHBondContact O-N 2.72Å; E622-R626 WeakPolarHBondContact O-CD 3.32Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.35Å; E622-R626 VanDerWaalsContact O-N 3.15Å; E622-R626 PolarHBondContact O-NE 3.19Å; E622-R626 IonicContact OE2-CZ 3.11Å; E622-R626 IonicContact OE2-NE 2.7Å; E622-R626 IonicContact OE2-NH2 2.72Å; E622-R626 PolarHBondContact OE2-NH2 3.25Å
623	D	85.9	Confident	87.2	Confident	77 Å²	77	65.7 Å²	65.7	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-48.7	171.6	179.2	68.7	0	0	0	110.9	A619 Y620 L625 R626 N627 R630	A619-D623 PolarHBondContact O-N 3.05Å; Y620-D623 PolarHBondContact O-N 2.82Å; D623-L625 VanDerWaalsContact C-N 3.29Å; D623-L625 PolarHBondContact O-N 2.87Å; D623-R626 CarbonylContact O-C 3.09Å; D623-R626 WeakPolarHBondContact O-CA 3.28Å; D623-R626 WeakPolarHBondContact O-CB 3.43Å; D623-R626 PolarHBondContact O-N 2.86Å; D623-N627 VanDerWaalsContact O-CB 3.29Å; D623-N627 WeakPolarHBondContact O-CB 3.33Å; D623-N627 PolarHBondContact O-N 3.13Å; D623-R630 IonicContact OD2-NH1 2.7Å
624	H	82.8	Confident	87.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-52.1	-44.1	176.6	-115.1	116.7	0	0	0	113.5	Y620 M621 R626 R630 E634 L885	Y620-H624 AromaticContact CE1-CE1 3.86Å; Y620-H624 AromaticContact CE1-ND1 3.58Å; Y620-H624 AromaticContact CZ-CE1 3.58Å; Y620-H624 AromaticContact CZ-ND1 3.61Å; Y620-H624 WeakPolarHBondContact O-CB 3.42Å; Y620-H624 PolarHBondContact O-N 2.76Å; Y620-H624 PolarHBondContact OH-CE1 3.24Å; M621-H624 WeakPolarHBondContact O-CB 3.26Å; M621-H624 PolarHBondContact O-N 2.73Å; H624-R626 VanDerWaalsContact C-N 3.35Å; H624-R630 PolarHBondContact CE1-NE 3.03Å; H624-R630 PolarHBondContact CE1-NH2 3.14Å; H624-R630 PolarHBondContact NE2-NE 2.98Å; H624-E634 IonicContact CD2-OE1 3.96Å; H624-E634 IonicContact CD2-OE2 3.11Å; H624-E634 PolarHBondContact CD2-OE2 3Å; H624-E634 IonicContact CE1-OE1 3.55Å; H624-E634 IonicContact CE1-OE2 3.57Å; H624-E634 IonicContact NE2-OE1 3.94Å; H624-E634 PolarHBondContact NE2-OE1 3.45Å; H624-E634 IonicContact NE2-OE2 4Å; H624-E634 PolarHBondContact NE2-OE2 2.99Å; H624-L885 HydrophobicContact CB-CD2 3.79Å
625	L	86.5	Confident	88.4	Confident	41 Å²	41	68.4 Å²	68.4	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-74.7	-23	179.3	-70.6	168	0	0	0	113	M621 D623 E882 L885 A889	M621-L625 WeakPolarHBondContact O-CB 3.2Å; M621-L625 VanDerWaalsContact O-CG 3.28Å; M621-L625 WeakPolarHBondContact O-CG 3.34Å; M621-L625 PolarHBondContact O-N 2.99Å; D623-L625 VanDerWaalsContact C-N 3.29Å; D623-L625 PolarHBondContact O-N 2.87Å; L625-E882 HydrophobicContact CD2-CG 4.17Å; L625-L885 HydrophobicContact CD2-CB 3.83Å; L625-L885 HydrophobicContact CG-CB 4.3Å; L625-A889 HydrophobicContact CD1-CB 4.38Å
626	R	90.3	Very high	88.8	Confident	179 Å²	179	66 Å²	66	68%	0.675	32%	0.323	S	S	*	.	H	α-helix	trans	-81.7	-39	172.6	-67.1	158.7	-168.7	-117.4	7	111.3	E622 D623 H624 K628	E622-R626 WeakPolarHBondContact O-CD 3.32Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.35Å; E622-R626 VanDerWaalsContact O-N 3.15Å; E622-R626 PolarHBondContact O-NE 3.19Å; E622-R626 IonicContact OE2-CZ 3.11Å; E622-R626 IonicContact OE2-NE 2.7Å; E622-R626 IonicContact OE2-NH2 2.72Å; E622-R626 PolarHBondContact OE2-NH2 3.25Å; D623-R626 CarbonylContact O-C 3.09Å; D623-R626 WeakPolarHBondContact O-CA 3.28Å; D623-R626 WeakPolarHBondContact O-CB 3.43Å; D623-R626 PolarHBondContact O-N 2.86Å; H624-R626 VanDerWaalsContact C-N 3.35Å; R626-K628 PolarHBondContact O-N 3.24Å
627	N	92.2	Very high	89.4	Confident	62 Å²	62	63.3 Å²	63.3	33%	0.332	32%	0.317	S	S	.	.			trans	-83.8	76.7	-174.8	-167.7	-19.9	0	0	0	111.7	D623 D629 R630 L631	D623-N627 VanDerWaalsContact O-CB 3.29Å; D623-N627 WeakPolarHBondContact O-CB 3.33Å; D623-N627 PolarHBondContact O-N 3.13Å; N627-D629 PolarHBondContact O-N 3.39Å; N627-R630 HydrophobicContact CB-CB 4.03Å; N627-R630 VanDerWaalsContact CG-CB 3.43Å; N627-R630 WeakPolarHBondContact O-CB 3.41Å; N627-R630 PolarHBondContact O-N 2.98Å; N627-R630 WeakPolarHBondContact OD1-CB 3.23Å; N627-R630 PolarHBondContact OD1-N 3.22Å; N627-L631 PolarHBondContact O-N 2.99Å; N627-L631 VanDerWaalsContact O-N 3.1Å
628	K	89.6	Confident	89.9	Confident	130 Å²	130	63 Å²	63	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-59.7	-30.4	-177.9	-64.9	-168.4	175.4	-167.5	0	113.8	R626 L631 L632	R626-K628 PolarHBondContact O-N 3.24Å; K628-L631 PolarHBondContact O-N 3.38Å; K628-L632 WeakPolarHBondContact O-CB 3.44Å; K628-L632 WeakPolarHBondContact O-CD1 3.39Å; K628-L632 VanDerWaalsContact O-CG 3.23Å; K628-L632 WeakPolarHBondContact O-CG 3.29Å; K628-L632 PolarHBondContact O-N 3.05Å
629	D	91.6	Very high	90.3	Very high	109 Å²	109	66.1 Å²	66.1	58%	0.583	34%	0.339	S	S	*	.	H	α-helix	trans	-73	-36.7	179.1	-64.9	-28.6	0	0	0	111.9	N627 K633	N627-D629 PolarHBondContact O-N 3.39Å; D629-K633 VanDerWaalsContact O-CG 3.27Å; D629-K633 WeakPolarHBondContact O-CG 3.24Å; D629-K633 PolarHBondContact O-N 3.46Å
630	R	90.1	Very high	90.6	Very high	72 Å²	72	67.7 Å²	67.7	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-52.8	169.1	178.5	178.5	-176.1	179.6	1.8	110.7	D623 H624 N627 L632 K633 E634	D623-R630 IonicContact OD2-NH1 2.7Å; H624-R630 PolarHBondContact CE1-NE 3.03Å; H624-R630 PolarHBondContact CE1-NH2 3.14Å; H624-R630 PolarHBondContact NE2-NE 2.98Å; N627-R630 HydrophobicContact CB-CB 4.03Å; N627-R630 VanDerWaalsContact CG-CB 3.43Å; N627-R630 WeakPolarHBondContact O-CB 3.41Å; N627-R630 PolarHBondContact O-N 2.98Å; N627-R630 WeakPolarHBondContact OD1-CB 3.23Å; N627-R630 PolarHBondContact OD1-N 3.22Å; R630-L632 VanDerWaalsContact C-N 3.26Å; R630-L632 PolarHBondContact O-N 3.34Å; R630-K633 PolarHBondContact O-N 3.43Å; R630-E634 HydrophobicContact CG-CG 4.45Å; R630-E634 VanDerWaalsContact CG-OE1 3.24Å; R630-E634 WeakPolarHBondContact CG-OE1 3.48Å; R630-E634 IonicContact CZ-OE1 3.05Å; R630-E634 IonicContact NE-OE1 3.1Å; R630-E634 PolarHBondContact NE-OE1 3.34Å; R630-E634 IonicContact NH2-OE1 3.48Å; R630-E634 PolarHBondContact NH2-OE1 3.25Å; R630-E634 WeakPolarHBondContact O-CG 3.45Å; R630-E634 PolarHBondContact O-N 3.38Å
631	L	90.5	Very high	91.1	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-33.1	179.9	-173.5	65.9	0	0	0	112.9	N627 K628 W635 F881 E882 L885	N627-L631 PolarHBondContact O-N 2.99Å; N627-L631 VanDerWaalsContact O-N 3.1Å; K628-L631 PolarHBondContact O-N 3.38Å; L631-W635 VanDerWaalsContact O-CB 3.26Å; L631-W635 WeakPolarHBondContact O-CB 3.46Å; L631-W635 PolarHBondContact O-N 3.02Å; L631-W635 VanDerWaalsContact O-N 3.08Å; L631-F881 HydrophobicContact CD1-CD1 3.74Å; L631-F881 HydrophobicContact CD1-CE1 3.76Å; L631-E882 HydrophobicContact CD2-CB 4.08Å; L631-E882 HydrophobicContact CD2-CG 3.74Å; L631-E882 WeakPolarHBondContact CD2-OE2 3.48Å; L631-L885 HydrophobicContact CD1-CD1 4.5Å; L631-L885 HydrophobicContact CD1-CD2 4.21Å
632	L	91.3	Very high	91.4	Very high	89 Å²	89	73.7 Å²	73.7	47%	0.466	37%	0.373	S	S	.	.	H	α-helix	trans	-70.4	-41	173.1	-79.7	166.1	0	0	0	112.6	K628 R630 A636 K878	K628-L632 WeakPolarHBondContact O-CB 3.44Å; K628-L632 WeakPolarHBondContact O-CD1 3.39Å; K628-L632 VanDerWaalsContact O-CG 3.23Å; K628-L632 WeakPolarHBondContact O-CG 3.29Å; K628-L632 PolarHBondContact O-N 3.05Å; R630-L632 VanDerWaalsContact C-N 3.26Å; R630-L632 PolarHBondContact O-N 3.34Å; L632-A636 VanDerWaalsContact O-CB 3.31Å; L632-A636 WeakPolarHBondContact O-CB 3.27Å; L632-A636 PolarHBondContact O-N 2.8Å; L632-K878 HydrophobicContact CD2-CD 3.88Å
633	K	93.2	Very high	91.7	Very high	155 Å²	155	70.3 Å²	70.3	67%	0.674	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-45.6	177.2	-74	168.7	-177.7	177.4	0	112	D629 R630 A636 A637	D629-K633 VanDerWaalsContact O-CG 3.27Å; D629-K633 WeakPolarHBondContact O-CG 3.24Å; D629-K633 PolarHBondContact O-N 3.46Å; R630-K633 PolarHBondContact O-N 3.43Å; K633-A636 PolarHBondContact O-N 2.95Å; K633-A637 PolarHBondContact O-N 2.93Å
634	E	93.4	Very high	92	Very high	35 Å²	35	73.9 Å²	73.9	16%	0.164	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-44.3	176.5	-70.2	171.6	-174.4	0	0	111	H624 R630 A636 A637 L638	H624-E634 IonicContact CD2-OE1 3.96Å; H624-E634 IonicContact CD2-OE2 3.11Å; H624-E634 PolarHBondContact CD2-OE2 3Å; H624-E634 IonicContact CE1-OE1 3.55Å; H624-E634 IonicContact CE1-OE2 3.57Å; H624-E634 IonicContact NE2-OE1 3.94Å; H624-E634 PolarHBondContact NE2-OE1 3.45Å; H624-E634 IonicContact NE2-OE2 4Å; H624-E634 PolarHBondContact NE2-OE2 2.99Å; R630-E634 HydrophobicContact CG-CG 4.45Å; R630-E634 VanDerWaalsContact CG-OE1 3.24Å; R630-E634 WeakPolarHBondContact CG-OE1 3.48Å; R630-E634 IonicContact CZ-OE1 3.05Å; R630-E634 IonicContact NE-OE1 3.1Å; R630-E634 PolarHBondContact NE-OE1 3.34Å; R630-E634 IonicContact NH2-OE1 3.48Å; R630-E634 PolarHBondContact NH2-OE1 3.25Å; R630-E634 WeakPolarHBondContact O-CG 3.45Å; R630-E634 PolarHBondContact O-N 3.38Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 3Å; E634-A637 PolarHBondContact O-N 2.97Å; E634-L638 WeakPolarHBondContact O-CB 3.19Å; E634-L638 WeakPolarHBondContact O-CD1 3.28Å; E634-L638 VanDerWaalsContact O-CG 3.3Å; E634-L638 WeakPolarHBondContact O-CG 3.29Å; E634-L638 PolarHBondContact O-N 3.48Å
635	W	95.2	Very high	92.5	Very high	34 Å²	34	77.1 Å²	77.1	13%	0.129	39%	0.393	C	S	.	.	H	α-helix	trans	-63.2	-35.7	173.6	-177.6	-100.2	0	0	0	112.9	L631 L638 C639 V875 T877 K878 F881	L631-W635 VanDerWaalsContact O-CB 3.26Å; L631-W635 WeakPolarHBondContact O-CB 3.46Å; L631-W635 PolarHBondContact O-N 3.02Å; L631-W635 VanDerWaalsContact O-N 3.08Å; W635-L638 HydrophobicContact CE3-CD1 4.33Å; W635-C639 PolarHBondContact NE1-SG 3.21Å; W635-C639 VanDerWaalsContact NE1-SG 3.37Å; W635-C639 WeakPolarHBondContact O-CB 3.41Å; W635-C639 PolarHBondContact O-N 2.96Å; W635-V875 HydrophobicContact CH2-CG1 4.5Å; W635-V875 HydrophobicContact CZ3-CG1 4.15Å; W635-T877 VanDerWaalsContact CZ2-C 3.42Å; W635-K878 HydrophobicContact CB-CG 4.33Å; W635-K878 HydrophobicContact CD2-CB 3.92Å; W635-K878 HydrophobicContact CD2-CG 4.4Å; W635-K878 HydrophobicContact CG-CB 3.87Å; W635-K878 HydrophobicContact CG-CD 4.4Å; W635-K878 HydrophobicContact CG-CG 4.02Å; W635-F881 HydrophobicContact CE3-CB 3.84Å; W635-F881 HydrophobicContact CE3-CD1 4.17Å; W635-F881 HydrophobicContact CE3-CG 4.1Å; W635-F881 HydrophobicContact CZ3-CB 3.91Å; W635-F881 HydrophobicContact CZ3-CG 4.41Å
636	A	95.4	Very high	92.9	Very high	56 Å²	56	77 Å²	77	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-43.7	175	0	0	0	0	0	112.2	L632 K633 E634 C639 S640	L632-A636 VanDerWaalsContact O-CB 3.31Å; L632-A636 WeakPolarHBondContact O-CB 3.27Å; L632-A636 PolarHBondContact O-N 2.8Å; K633-A636 PolarHBondContact O-N 2.95Å; E634-A636 VanDerWaalsContact C-N 3.32Å; E634-A636 PolarHBondContact O-N 3Å; A636-C639 WeakPolarHBondContact O-CB 3.38Å; A636-C639 PolarHBondContact O-N 3.08Å; A636-C639 VanDerWaalsContact O-N 3.13Å; A636-S640 PolarHBondContact O-N 3.35Å; A636-S640 VanDerWaalsContact O-N 3.1Å; A636-S640 PolarHBondContact O-OG 3.4Å
637	A	95.4	Very high	93.1	Very high	49 Å²	49	70.7 Å²	70.7	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-60.3	-47	174.2	0	0	0	0	0	111.3	K633 E634 C639 S640 Y641	K633-A637 PolarHBondContact O-N 2.93Å; E634-A637 PolarHBondContact O-N 2.97Å; A637-C639 VanDerWaalsContact C-N 3.29Å; A637-C639 PolarHBondContact O-N 3.19Å; A637-S640 WeakPolarHBondContact CA-OG 3.41Å; A637-S640 CarbonylContact O-C 3.58Å; A637-S640 WeakPolarHBondContact O-CA 3.34Å; A637-S640 PolarHBondContact O-N 3.22Å; A637-S640 PolarHBondContact O-OG 3.5Å; A637-Y641 PolarHBondContact O-N 3.01Å
638	L	95.2	Very high	93.3	Very high	1 Å²	1	69 Å²	69	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-38.4	171.9	-76.3	164.6	0	0	0	112.1	E634 W635 S640 Y641 A861 L864 E865 R868 F881	E634-L638 WeakPolarHBondContact O-CB 3.19Å; E634-L638 WeakPolarHBondContact O-CD1 3.28Å; E634-L638 VanDerWaalsContact O-CG 3.3Å; E634-L638 WeakPolarHBondContact O-CG 3.29Å; E634-L638 PolarHBondContact O-N 3.48Å; W635-L638 HydrophobicContact CE3-CD1 4.33Å; L638-S640 VanDerWaalsContact C-N 3.29Å; L638-S640 PolarHBondContact O-N 2.95Å; L638-Y641 VanDerWaalsContact O-CB 3.29Å; L638-Y641 WeakPolarHBondContact O-CB 3.3Å; L638-Y641 PolarHBondContact O-N 3.34Å; L638-A861 HydrophobicContact CD1-CB 4.25Å; L638-L864 HydrophobicContact CD1-CD2 4.01Å; L638-L864 HydrophobicContact CD2-CB 4.31Å; L638-L864 HydrophobicContact CD2-CD2 4.12Å; L638-L864 HydrophobicContact CD2-CG 4.16Å; L638-E865 HydrophobicContact CD2-CG 3.65Å; L638-R868 PolarHBondContact O-NH1 3.21Å; L638-F881 HydrophobicContact CD1-CD1 4.47Å; L638-F881 HydrophobicContact CD1-CD2 4.5Å; L638-F881 HydrophobicContact CD1-CE1 4.01Å; L638-F881 HydrophobicContact CD1-CE2 4.03Å; L638-F881 HydrophobicContact CD1-CZ 3.77Å
639	C	94.3	Very high	93.6	Very high	85 Å²	85	66.7 Å²	66.7	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-67.9	-25.4	175.3	-86.3	0	0	0	0	113.9	W635 A636 A637	W635-C639 PolarHBondContact NE1-SG 3.21Å; W635-C639 VanDerWaalsContact NE1-SG 3.37Å; W635-C639 WeakPolarHBondContact O-CB 3.41Å; W635-C639 PolarHBondContact O-N 2.96Å; A636-C639 WeakPolarHBondContact O-CB 3.38Å; A636-C639 PolarHBondContact O-N 3.08Å; A636-C639 VanDerWaalsContact O-N 3.13Å; A637-C639 VanDerWaalsContact C-N 3.29Å; A637-C639 PolarHBondContact O-N 3.19Å
640	S	93.4	Very high	93.8	Very high	95 Å²	95	63.5 Å²	63.5	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-89.2	-4.5	170.1	48.5	0	0	0	0	114.3	A636 A637 L638 Q642	A636-S640 PolarHBondContact O-N 3.35Å; A636-S640 VanDerWaalsContact O-N 3.1Å; A636-S640 PolarHBondContact O-OG 3.4Å; A637-S640 WeakPolarHBondContact CA-OG 3.41Å; A637-S640 CarbonylContact O-C 3.58Å; A637-S640 WeakPolarHBondContact O-CA 3.34Å; A637-S640 PolarHBondContact O-N 3.22Å; A637-S640 PolarHBondContact O-OG 3.5Å; L638-S640 VanDerWaalsContact C-N 3.29Å; L638-S640 PolarHBondContact O-N 2.95Å; S640-Q642 PolarHBondContact O-N 3.44Å
641	Y	95	Very high	94.1	Very high	72 Å²	72	60 Å²	60	28%	0.282	35%	0.346	S	S	.	.			trans	-69.5	127.3	-176.5	-171.1	-86.3	0	0	0	112	A637 L638 A643 E865 R868 D869	A637-Y641 PolarHBondContact O-N 3.01Å; L638-Y641 VanDerWaalsContact O-CB 3.29Å; L638-Y641 WeakPolarHBondContact O-CB 3.3Å; L638-Y641 PolarHBondContact O-N 3.34Å; Y641-A643 HydrophobicContact CE1-CB 4.35Å; Y641-E865 HydrophobicContact CD2-CB 4.17Å; Y641-E865 VanDerWaalsContact CD2-CD 3.41Å; Y641-E865 HydrophobicContact CD2-CG 3.53Å; Y641-E865 VanDerWaalsContact CD2-OE1 3.31Å; Y641-E865 WeakPolarHBondContact CD2-OE1 3.34Å; Y641-E865 HydrophobicContact CE1-CB 4.26Å; Y641-E865 HydrophobicContact CE1-CG 4.49Å; Y641-E865 HydrophobicContact CE2-CB 3.65Å; Y641-E865 VanDerWaalsContact CE2-CD 3.4Å; Y641-E865 HydrophobicContact CE2-CG 3.51Å; Y641-E865 HydrophobicContact CG-CG 4.05Å; Y641-R868 HydrophobicContact CD1-CB 4.34Å; Y641-R868 HydrophobicContact CE1-CB 4.39Å; Y641-D869 PolarHBondContact OH-OD1 3.18Å; Y641-D869 VanDerWaalsContact OH-OD1 3.06Å; Y641-D869 PolarHBondContact OH-OD2 3.1Å
642	Q	92.1	Very high	94.3	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.621	37%	0.373	S	S	*	.			trans	-126.8	122.5	171.6	-179.4	170.5	-9.9	0	0	109.1	S640 S646	S640-Q642 PolarHBondContact O-N 3.44Å; Q642-S646 PolarHBondContact NE2-OG 3.44Å
643	A	93	Very high	94.5	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.017	37%	0.365	C	S	.	.			trans	-65.9	149.1	174.3	0	0	0	0	0	111.6	Y641 S646 Y668 D869	Y641-A643 HydrophobicContact CE1-CB 4.35Å; A643-S646 VanDerWaalsContact O-CB 3.28Å; A643-S646 WeakPolarHBondContact O-CB 3.46Å; A643-S646 PolarHBondContact O-N 3.05Å; A643-Y668 HydrophobicContact CB-CE2 4.23Å; A643-Y668 WeakPolarHBondContact CB-OH 3.4Å; A643-D869 HydrophobicContact CB-CB 4.48Å; A643-D869 VanDerWaalsContact CB-OD1 3.26Å; A643-D869 WeakPolarHBondContact CB-OD1 3.31Å
644	E	92	Very high	94.5	Very high	152 Å²	152	63.5 Å²	63.5	71%	0.71	37%	0.371	S	S	*	.	S	Bend	trans	-122.7	116.6	169.7	-81.3	-63.1	163.3	0	0	110.8
645	P	93.8	Very high	94.5	Very high	67 Å²	67	65.9 Å²	65.9	44%	0.435	40%	0.397	S	S	.	.	S	Bend	cis	-85	136.1	5.4	33.1	-34	0	0	0	114.3	A647 H670	P645-A647 PolarHBondContact O-N 3.02Å; P645-H670 PolarHBondContact O-CE1 2.89Å
646	S	93.6	Very high	94.5	Very high	38 Å²	38	64.9 Å²	64.9	27%	0.266	39%	0.394	S	S	.	.			trans	-90.8	23.8	174.9	72.9	0	0	0	0	115.3	Q642 A643	Q642-S646 PolarHBondContact NE2-OG 3.44Å; A643-S646 VanDerWaalsContact O-CB 3.28Å; A643-S646 WeakPolarHBondContact O-CB 3.46Å; A643-S646 PolarHBondContact O-N 3.05Å
647	A	96.1	Very high	94.4	Very high	48 Å²	48	64.4 Å²	64.4	40%	0.397	39%	0.39	S	S	.	.			trans	-72.3	131.9	-171.7	0	0	0	0	0	113	P645 Y668 D669	P645-A647 PolarHBondContact O-N 3.02Å; A647-Y668 CarbonylContact O-C 3.58Å; A647-Y668 WeakPolarHBondContact O-CA 3.09Å; A647-Y668 WeakPolarHBondContact O-CB 3.45Å; A647-D669 HydrophobicContact CB-CB 4.44Å; A647-D669 PolarHBondContact O-N 3Å
648	V	96.3	Very high	94.4	Very high	26 Å²	26	70.2 Å²	70.2	16%	0.158	41%	0.406	C	S	.	.			trans	-130.5	23.2	-178.1	-65.1	0	0	0	0	112.8	V650 A651 Q652 V666 Y668 D669	V648-V650 PolarHBondContact O-N 3.48Å; V648-A651 PolarHBondContact O-N 3.41Å; V648-Q652 HydrophobicContact CG2-CG 4.02Å; V648-Q652 PolarHBondContact O-N 3.15Å; V648-Q652 VanDerWaalsContact O-N 3.08Å; V648-V666 HydrophobicContact CB-CG2 4.01Å; V648-V666 HydrophobicContact CG1-CG2 4Å; V648-V666 HydrophobicContact CG2-CG2 4.46Å; V648-Y668 HydrophobicContact CG1-CD1 3.67Å; V648-Y668 HydrophobicContact CG1-CE1 4.26Å; V648-D669 PolarHBondContact N-OD2 3.15Å
649	S	95.7	Very high	94.4	Very high	82 Å²	82	71 Å²	71	57%	0.573	41%	0.41	S	S	*	.	H	α-helix	trans	-63.6	-37.7	-167.1	66.3	0	0	0	0	113.9	S653 D669	S649-S653 PolarHBondContact O-N 3.26Å; S649-D669 WeakPolarHBondContact CB-OD2 3.35Å; S649-D669 PolarHBondContact N-OD1 3.44Å; S649-D669 PolarHBondContact N-OD2 3.15Å; S649-D669 PolarHBondContact OG-OD2 3.03Å
650	V	95.8	Very high	94.5	Very high	41 Å²	41	68 Å²	68	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-69.3	-39	178	-180	0	0	0	0	110.2	V648 S653 N656 D669 Y686	V648-V650 PolarHBondContact O-N 3.48Å; V650-S653 PolarHBondContact O-OG 3.27Å; V650-N656 WeakPolarHBondContact O-CB 3.29Å; V650-N656 PolarHBondContact O-ND2 2.88Å; V650-D669 VanDerWaalsContact CB-OD1 3.27Å; V650-D669 WeakPolarHBondContact CB-OD1 3.37Å; V650-D669 WeakPolarHBondContact CG2-OD1 3.38Å; V650-D669 PolarHBondContact N-OD1 3.4Å; V650-Y686 HydrophobicContact CG1-CD2 4.13Å
651	A	95.6	Very high	94.6	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-71.7	-33.4	-177.5	0	0	0	0	0	113.5	V648 N660 V666 P667 Y686	V648-A651 PolarHBondContact O-N 3.41Å; A651-N660 PolarHBondContact O-ND2 2.97Å; A651-V666 HydrophobicContact CB-CB 3.69Å; A651-V666 HydrophobicContact CB-CG1 3.94Å; A651-V666 HydrophobicContact CB-CG2 4.4Å; A651-P667 HydrophobicContact CB-CG 4.36Å; A651-Y686 HydrophobicContact CB-CE2 3.7Å; A651-Y686 VanDerWaalsContact CB-OH 3.32Å; A651-Y686 WeakPolarHBondContact CB-OH 3.48Å
652	Q	94.9	Very high	94.5	Very high	124 Å²	124	63.7 Å²	63.7	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-85.1	-9.7	178.9	-70.1	-174.8	-21.4	0	0	114.3	V648	V648-Q652 HydrophobicContact CG2-CG 4.02Å; V648-Q652 PolarHBondContact O-N 3.15Å; V648-Q652 VanDerWaalsContact O-N 3.08Å
653	S	95.4	Very high	94.5	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	36%	0.359	S	S	.	.	S	Bend	trans	-60	146	178.4	67.3	0	0	0	0	113.3	S649 V650 A655 N656 A657	S649-S653 PolarHBondContact O-N 3.26Å; V650-S653 PolarHBondContact O-OG 3.27Å; S653-A655 PolarHBondContact O-N 2.92Å; S653-N656 CarbonylContact O-C 3.51Å; S653-N656 PolarHBondContact O-N 3.07Å; S653-N656 PolarHBondContact OG-ND2 3.15Å; S653-A657 PolarHBondContact O-N 3.11Å
654	D	93.1	Very high	94.4	Very high	150 Å²	150	68.3 Å²	68.3	80%	0.802	39%	0.394	S	S	*	.	H	α-helix	trans	-55.9	-31.2	-173.8	-63.2	-60.7	0	0	0	114.4
655	A	92.5	Very high	94.5	Very high	84 Å²	84	61.2 Å²	61.2	69%	0.694	36%	0.361	S	S	*	.	H	α-helix	trans	-67.7	-35.9	175.7	0	0	0	0	0	112.4	S653	S653-A655 PolarHBondContact O-N 2.92Å
656	N	95.3	Very high	94.7	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.07	34%	0.342	C	S	.	.	H	α-helix	trans	-98.7	-20.9	-173.1	-72	-22.8	0	0	0	113.5	V650 S653 K658 K659 Y686	V650-N656 WeakPolarHBondContact O-CB 3.29Å; V650-N656 PolarHBondContact O-ND2 2.88Å; S653-N656 CarbonylContact O-C 3.51Å; S653-N656 PolarHBondContact O-N 3.07Å; S653-N656 PolarHBondContact OG-ND2 3.15Å; N656-K658 PolarHBondContact O-N 3.1Å; N656-K658 VanDerWaalsContact O-N 3.11Å; N656-K659 WeakPolarHBondContact O-CA 3.46Å; N656-K659 WeakPolarHBondContact O-CB 3.5Å; N656-K659 PolarHBondContact O-N 3.33Å; N656-Y686 HydrophobicContact CB-CD1 3.49Å; N656-Y686 VanDerWaalsContact CB-CD1 3.49Å; N656-Y686 HydrophobicContact CB-CE1 3.78Å; N656-Y686 HydrophobicContact CB-CG 3.96Å; N656-Y686 VanDerWaalsContact CG-CG 3.42Å; N656-Y686 WeakPolarHBondContact ND2-CB 3.41Å; N656-Y686 WeakPolarHBondContact OD1-CB 3.3Å
657	A	94.1	Very high	94.9	Very high	47 Å²	47	56.5 Å²	56.5	39%	0.388	33%	0.329	S	S	.	.	H	α-helix	trans	-49.9	-39.8	178.2	0	0	0	0	0	112.8	S653 K659 N660	S653-A657 PolarHBondContact O-N 3.11Å; A657-K659 VanDerWaalsContact C-N 3.28Å; A657-K659 PolarHBondContact O-N 2.89Å; A657-N660 PolarHBondContact O-N 2.64Å
658	K	95.1	Very high	95	Very high	170 Å²	170	54.9 Å²	54.9	74%	0.739	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.8	176.9	-66.1	177	-176.6	170.9	0	114.2	N656 N660 H711	N656-K658 PolarHBondContact O-N 3.1Å; N656-K658 VanDerWaalsContact O-N 3.11Å; K658-N660 VanDerWaalsContact C-N 3.32Å; K658-H711 PolarHBondContact O-CE1 3.45Å; K658-H711 PolarHBondContact O-NE2 2.85Å
659	K	95.9	Very high	95	Very high	19 Å²	19	55 Å²	55	8%	0.083	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	175.4	-66.9	-166.4	179	-167.5	0	112.6	N656 A657 S682 Y686 Q706 T712 D715	N656-K659 WeakPolarHBondContact O-CA 3.46Å; N656-K659 WeakPolarHBondContact O-CB 3.5Å; N656-K659 PolarHBondContact O-N 3.33Å; A657-K659 VanDerWaalsContact C-N 3.28Å; A657-K659 PolarHBondContact O-N 2.89Å; K659-S682 PolarHBondContact NZ-OG 3.4Å; K659-S682 VanDerWaalsContact NZ-OG 3.15Å; K659-Y686 HydrophobicContact CB-CD1 4.14Å; K659-Y686 HydrophobicContact CB-CE1 4.05Å; K659-Y686 HydrophobicContact CD-CD1 4.1Å; K659-Y686 WeakPolarHBondContact CD-O 3.12Å; K659-Y686 PolarHBondContact NZ-O 3.39Å; K659-Y686 VanDerWaalsContact NZ-O 3.07Å; K659-Q706 PolarHBondContact O-NE2 3.13Å; K659-T712 HydrophobicContact CB-CG2 4.03Å; K659-T712 HydrophobicContact CG-CG2 4.07Å; K659-D715 WeakPolarHBondContact CE-OD2 3.14Å; K659-D715 IonicContact NZ-OD2 2.71Å; K659-D715 PolarHBondContact NZ-OD2 2.94Å
660	N	96.7	Very high	95	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.112	31%	0.306	C	S	.	.			trans	-95.2	129.9	179	-57.1	-33.3	0	0	0	111.1	A651 A657 K658 V666 Y686 N688	A651-N660 PolarHBondContact O-ND2 2.97Å; A657-N660 PolarHBondContact O-N 2.64Å; K658-N660 VanDerWaalsContact C-N 3.32Å; N660-V666 HydrophobicContact CB-CG1 4.39Å; N660-V666 WeakPolarHBondContact ND2-CG1 3.43Å; N660-Y686 WeakPolarHBondContact OD1-CE1 3.49Å; N660-Y686 PolarHBondContact OD1-OH 3.33Å; N660-N688 PolarHBondContact OD1-ND2 3.47Å
661	R	95.1	Very high	95	Very high	52 Å²	52	54 Å²	54	20%	0.196	30%	0.297	C	S	.	.	S	Bend	trans	-76.5	-31.5	173.7	178.9	175	-74.2	-86.5	3.7	111.9	G707 P708 L709 K740 Q741 D743 S832	R661-G707 PolarHBondContact NE-O 2.95Å; R661-P708 PolarHBondContact NH2-O 3.05Å; R661-L709 HydrophobicContact CB-CD1 4.29Å; R661-L709 HydrophobicContact CB-CD2 4.16Å; R661-L709 HydrophobicContact CB-CG 4.27Å; R661-L709 HydrophobicContact CG-CD2 4.32Å; R661-K740 PolarHBondContact NH1-O 2.57Å; R661-Q741 WeakPolarHBondContact CD-O 3.45Å; R661-Q741 VanDerWaalsContact CZ-O 3.27Å; R661-Q741 PolarHBondContact NE-O 3.07Å; R661-Q741 PolarHBondContact NH1-O 3.48Å; R661-D743 IonicContact CZ-OD2 3.68Å; R661-D743 IonicContact NH2-OD2 2.72Å; R661-D743 PolarHBondContact NH2-OD2 3.22Å; R661-S832 WeakPolarHBondContact CD-O 3.28Å
662	C	92.1	Very high	95	Very high	25 Å²	25	55 Å²	55	17%	0.169	30%	0.301	C	S	.	.			trans	-132.7	122.5	176.7	178.2	0	0	0	0	108.4	D664 S665 D833	C662-D664 PolarHBondContact O-N 2.71Å; C662-S665 PolarHBondContact O-N 2.86Å; C662-D833 HydrophobicContact CB-CB 4.5Å
663	P	92.2	Very high	95.1	Very high	93 Å²	93	50.1 Å²	50.1	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.8	177.6	-25	35.4	0	0	0	113.3	S665	P663-S665 VanDerWaalsContact C-N 3.29Å; P663-S665 PolarHBondContact O-N 2.84Å
664	D	90.6	Very high	95.1	Very high	138 Å²	138	53.9 Å²	53.9	74%	0.738	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	5.9	-175.4	-43.9	-45.1	0	0	0	113.2	C662	C662-D664 PolarHBondContact O-N 2.71Å
665	S	94.9	Very high	95.2	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.028	25%	0.254	C	S	.	.	S	Bend	trans	-136.7	74	-178.4	-66.3	0	0	0	0	110.4	C662 P663 N688 T835	C662-S665 PolarHBondContact O-N 2.86Å; P663-S665 VanDerWaalsContact C-N 3.29Å; P663-S665 PolarHBondContact O-N 2.84Å; S665-N688 PolarHBondContact O-ND2 3.33Å; S665-N688 PolarHBondContact O-OD1 2.94Å; S665-T835 PolarHBondContact OG-OG1 3.47Å
666	V	97.1	Very high	95.2	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	25%	0.249	C	C	.	.			trans	-115.7	155.4	-176.4	-77.5	0	0	0	0	111.1	V648 A651 N660 P872	V648-V666 HydrophobicContact CB-CG2 4.01Å; V648-V666 HydrophobicContact CG1-CG2 4Å; V648-V666 HydrophobicContact CG2-CG2 4.46Å; A651-V666 HydrophobicContact CB-CB 3.69Å; A651-V666 HydrophobicContact CB-CG1 3.94Å; A651-V666 HydrophobicContact CB-CG2 4.4Å; N660-V666 HydrophobicContact CB-CG1 4.39Å; N660-V666 WeakPolarHBondContact ND2-CG1 3.43Å; V666-P872 VanDerWaalsContact O-CD 3.25Å; V666-P872 WeakPolarHBondContact O-CD 3.47Å; V666-P872 WeakPolarHBondContact O-CG 3.15Å
667	P	97.8	Very high	94.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.			trans	-78.9	154.7	176.6	36.8	-36.3	0	0	0	110.8	A651 R672 Y686 N688 S690	A651-P667 HydrophobicContact CB-CG 4.36Å; P667-R672 HydrophobicContact CB-CB 3.76Å; P667-R672 HydrophobicContact CG-CB 3.81Å; P667-Y686 WeakPolarHBondContact CD-OH 3.11Å; P667-Y686 HydrophobicContact CG-CE2 3.98Å; P667-N688 WeakPolarHBondContact CD-OD1 3.41Å; P667-S690 VanDerWaalsContact CB-OG 3.26Å; P667-S690 WeakPolarHBondContact CB-OG 3.3Å
668	Y	97.9	Very high	94.4	Very high	15 Å²	15	56.3 Å²	56.3	6%	0.059	28%	0.284	C	S	.	.			trans	-74.3	156	170.4	-56.4	-62.4	0	0	0	112.2	A643 A647 V648 H670 S671 R672 R868 D869 P872	A643-Y668 HydrophobicContact CB-CE2 4.23Å; A643-Y668 WeakPolarHBondContact CB-OH 3.4Å; A647-Y668 CarbonylContact O-C 3.58Å; A647-Y668 WeakPolarHBondContact O-CA 3.09Å; A647-Y668 WeakPolarHBondContact O-CB 3.45Å; V648-Y668 HydrophobicContact CG1-CD1 3.67Å; V648-Y668 HydrophobicContact CG1-CE1 4.26Å; Y668-H670 VanDerWaalsContact C-N 3.27Å; Y668-H670 WeakPolarHBondContact CB-CE1 3.37Å; Y668-H670 WeakPolarHBondContact CB-ND1 3.42Å; Y668-H670 AromaticContact CD2-CE1 3.43Å; Y668-H670 VanDerWaalsContact CD2-CE1 3.43Å; Y668-H670 WeakPolarHBondContact CD2-CE1 3.48Å; Y668-H670 AromaticContact CG-CE1 3.5Å; Y668-H670 PolarHBondContact O-N 2.86Å; Y668-S671 PolarHBondContact O-N 2.8Å; Y668-R672 VanDerWaalsContact O-CB 3.27Å; Y668-R672 WeakPolarHBondContact O-CB 3.25Å; Y668-R672 PolarHBondContact O-N 3.17Å; Y668-R868 WeakPolarHBondContact CE2-O 3.45Å; Y668-R868 PolarHBondContact OH-O 3.16Å; Y668-R868 VanDerWaalsContact OH-O 3.13Å; Y668-D869 WeakPolarHBondContact CE2-O 3.5Å; Y668-P872 HydrophobicContact CD1-CG 4.33Å; Y668-P872 HydrophobicContact CE1-CB 3.85Å; Y668-P872 HydrophobicContact CE1-CG 3.89Å; Y668-P872 HydrophobicContact CE2-CB 4.47Å; Y668-P872 WeakPolarHBondContact OH-CB 3.28Å
669	D	97.1	Very high	93.8	Very high	29 Å²	29	49.2 Å²	49.2	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.6	-178.1	-66.3	-37.4	0	0	0	113.4	A647 V648 S649 V650	A647-D669 HydrophobicContact CB-CB 4.44Å; A647-D669 PolarHBondContact O-N 3Å; V648-D669 PolarHBondContact N-OD2 3.15Å; S649-D669 WeakPolarHBondContact CB-OD2 3.35Å; S649-D669 PolarHBondContact N-OD1 3.44Å; S649-D669 PolarHBondContact N-OD2 3.15Å; S649-D669 PolarHBondContact OG-OD2 3.03Å; V650-D669 VanDerWaalsContact CB-OD1 3.27Å; V650-D669 WeakPolarHBondContact CB-OD1 3.37Å; V650-D669 WeakPolarHBondContact CG2-OD1 3.38Å; V650-D669 PolarHBondContact N-OD1 3.4Å
670	H	95.7	Very high	93.4	Very high	91 Å²	91	48.6 Å²	48.6	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-36.8	175.6	63.3	-71.3	0	0	0	113.7	P645 Y668 D869	P645-H670 PolarHBondContact O-CE1 2.89Å; Y668-H670 VanDerWaalsContact C-N 3.27Å; Y668-H670 WeakPolarHBondContact CB-CE1 3.37Å; Y668-H670 WeakPolarHBondContact CB-ND1 3.42Å; Y668-H670 AromaticContact CD2-CE1 3.43Å; Y668-H670 VanDerWaalsContact CD2-CE1 3.43Å; Y668-H670 WeakPolarHBondContact CD2-CE1 3.48Å; Y668-H670 AromaticContact CG-CE1 3.5Å; Y668-H670 PolarHBondContact O-N 2.86Å; H670-D869 PolarHBondContact NE2-O 3.39Å
671	S	95.9	Very high	92.8	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.063	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.5	-172.2	68.7	0	0	0	0	115	Y668 S690 T691 Q870	Y668-S671 PolarHBondContact O-N 2.8Å; S671-S690 WeakPolarHBondContact O-CA 3.41Å; S671-T691 PolarHBondContact O-N 2.96Å; S671-T691 PolarHBondContact O-OG1 3.46Å; S671-Q870 VanDerWaalsContact CB-O 3.28Å; S671-Q870 WeakPolarHBondContact CB-O 3.49Å; S671-Q870 PolarHBondContact OG-O 3.04Å
672	R	96.4	Very high	92.4	Very high	23 Å²	23	51.7 Å²	51.7	9%	0.087	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141.2	178.9	67.6	-179.4	-172.9	82.9	-3.9	112.6	P667 Y668 K674 D685 A689	P667-R672 HydrophobicContact CB-CB 3.76Å; P667-R672 HydrophobicContact CG-CB 3.81Å; Y668-R672 VanDerWaalsContact O-CB 3.27Å; Y668-R672 WeakPolarHBondContact O-CB 3.25Å; Y668-R672 PolarHBondContact O-N 3.17Å; R672-K674 HydrophobicContact CG-CG 4.38Å; R672-D685 IonicContact CZ-OD2 3.19Å; R672-D685 IonicContact NH1-OD1 2.99Å; R672-D685 IonicContact NH1-OD2 2.76Å; R672-D685 PolarHBondContact NH1-OD2 3.5Å; R672-D685 IonicContact NH2-OD1 3.99Å; R672-D685 IonicContact NH2-OD2 2.69Å; R672-D685 PolarHBondContact NH2-OD2 3.35Å; R672-A689 WeakPolarHBondContact CA-O 3.23Å
673	V	96.5	Very high	92.2	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.9	164.1	-178.8	0	0	0	0	108.7	V687 A689 T691 I703 V719	V673-V687 HydrophobicContact CB-CG1 4.1Å; V673-V687 HydrophobicContact CG1-CG1 4.23Å; V673-A689 HydrophobicContact CB-CB 4.12Å; V673-A689 HydrophobicContact CG2-CB 3.81Å; V673-A689 PolarHBondContact N-O 3.39Å; V673-T691 HydrophobicContact CG2-CG2 4.05Å; V673-I703 HydrophobicContact CG2-CD1 4.46Å; V673-I703 HydrophobicContact CG2-CG2 3.86Å; V673-V719 HydrophobicContact CG1-CG1 4.48Å; V673-V719 HydrophobicContact CG1-CG2 4.13Å
674	K	95.7	Very high	92.2	Very high	123 Å²	123	57.4 Å²	57.4	54%	0.535	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.5	179.1	-47.2	-165.9	179.2	175.9	0	108.3	R672 D685	R672-K674 HydrophobicContact CG-CG 4.38Å; K674-D685 WeakPolarHBondContact CA-O 3.48Å
675	L	95.1	Very high	92.4	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	27%	0.27	C	S	.	.			trans	-79.2	149.2	178.4	-61.9	-176.3	0	0	0	110.6	A677 D685 V687 D715 Q718 V719	L675-A677 PolarHBondContact O-N 2.82Å; L675-D685 PolarHBondContact N-O 2.8Å; L675-D685 WeakPolarHBondContact O-CA 3.43Å; L675-D685 WeakPolarHBondContact O-CB 3.48Å; L675-V687 HydrophobicContact CD1-CB 4.01Å; L675-V687 HydrophobicContact CD1-CG1 4.15Å; L675-V687 HydrophobicContact CD2-CG1 4.19Å; L675-V687 HydrophobicContact CG-CB 4.33Å; L675-V687 HydrophobicContact CG-CG1 3.92Å; L675-D715 HydrophobicContact CD1-CB 3.85Å; L675-Q718 HydrophobicContact CD1-CB 4.43Å; L675-Q718 HydrophobicContact CD2-CB 4.17Å; L675-Q718 HydrophobicContact CD2-CG 3.96Å; L675-V719 HydrophobicContact CD2-CG2 3.73Å
676	K	92.5	Very high	92.5	Very high	135 Å²	135	53.1 Å²	53.1	59%	0.587	27%	0.269	S	S	*	.			trans	-68.7	121.2	168.3	-66.5	172.4	-172.9	174.9	0	109.4	D678 S679 N680 Q718 E722	K676-D678 VanDerWaalsContact C-N 3.28Å; K676-D678 PolarHBondContact O-N 2.86Å; K676-S679 WeakPolarHBondContact CB-OG 3.2Å; K676-S679 PolarHBondContact O-N 3.29Å; K676-S679 PolarHBondContact O-OG 3.21Å; K676-N680 PolarHBondContact O-N 3.45Å; K676-Q718 PolarHBondContact O-NE2 2.76Å; K676-E722 WeakPolarHBondContact CG-OE2 3.49Å; K676-E722 PolarHBondContact N-OE2 3.41Å
677	A	87.6	Confident	92.5	Very high	37 Å²	37	53.2 Å²	53.2	31%	0.306	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.6	-29.7	-177.5	0	0	0	0	0	112.9	L675 N680 R683	L675-A677 PolarHBondContact O-N 2.82Å; A677-N680 PolarHBondContact O-N 2.89Å; A677-R683 WeakPolarHBondContact O-CA 3.49Å
678	D	85.1	Confident	92.5	Very high	165 Å²	165	53.2 Å²	53.2	88%	0.882	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-69.4	-32.1	-178	-55.3	-59.9	0	0	0	113.5	K676	K676-D678 VanDerWaalsContact C-N 3.28Å; K676-D678 PolarHBondContact O-N 2.86Å
679	S	82.1	Confident	92.5	Very high	22 Å²	22	52.5 Å²	52.5	15%	0.154	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-91	-5.8	175.5	36.8	0	0	0	0	113.5	K676 Q718 E722	K676-S679 WeakPolarHBondContact CB-OG 3.2Å; K676-S679 PolarHBondContact O-N 3.29Å; K676-S679 PolarHBondContact O-OG 3.21Å; S679-Q718 PolarHBondContact OG-NE2 2.86Å; S679-E722 PolarHBondContact OG-OE1 2.85Å
680	N	87.3	Confident	92.5	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.032	26%	0.259	C	S	.	.	S	Bend	trans	-92.6	131.2	-177.9	-170.3	-89.9	0	0	0	112.4	K676 A677 S682 R683 D715 Q718	K676-N680 PolarHBondContact O-N 3.45Å; A677-N680 PolarHBondContact O-N 2.89Å; N680-S682 PolarHBondContact O-N 3.11Å; N680-S682 VanDerWaalsContact O-N 3.11Å; N680-S682 WeakPolarHBondContact OD1-CA 3.36Å; N680-S682 WeakPolarHBondContact OD1-CB 3.46Å; N680-S682 PolarHBondContact OD1-N 2.91Å; N680-S682 PolarHBondContact OD1-OG 2.85Å; N680-R683 PolarHBondContact O-N 2.81Å; N680-D715 PolarHBondContact ND2-OD1 3.09Å; N680-Q718 PolarHBondContact ND2-OE1 2.86Å
681	P	85.3	Confident	92.6	Very high	73 Å²	73	48.8 Å²	48.8	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.6	178.3	-27	33.5	0	0	0	115	H755	P681-H755 HydrophobicContact CG-CB 3.99Å
682	S	86	Confident	92.6	Very high	65 Å²	65	48.3 Å²	48.3	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.1	-178.9	65.9	0	0	0	0	113.8	K659 N680 S684	K659-S682 PolarHBondContact NZ-OG 3.4Å; K659-S682 VanDerWaalsContact NZ-OG 3.15Å; N680-S682 PolarHBondContact O-N 3.11Å; N680-S682 VanDerWaalsContact O-N 3.11Å; N680-S682 WeakPolarHBondContact OD1-CA 3.36Å; N680-S682 WeakPolarHBondContact OD1-CB 3.46Å; N680-S682 PolarHBondContact OD1-N 2.91Å; N680-S682 PolarHBondContact OD1-OG 2.85Å; S682-S684 PolarHBondContact O-N 3.4Å; S682-S684 VanDerWaalsContact O-N 3.15Å; S682-S684 WeakPolarHBondContact OG-CB 3.39Å
683	R	88.3	Confident	92.4	Very high	216 Å²	216	49.1 Å²	49.1	82%	0.815	25%	0.254	S	S	*	.			trans	48.8	33.1	-171.1	-63.2	-172.5	175.1	-153.8	-3.3	113.7	A677 N680	A677-R683 WeakPolarHBondContact O-CA 3.49Å; N680-R683 PolarHBondContact O-N 2.81Å
684	S	90.9	Very high	92	Very high	21 Å²	21	49.3 Å²	49.3	15%	0.147	25%	0.254	C	S	.	.			trans	-109.1	142.6	-179.7	176.3	0	0	0	0	109.5	S682 Y686	S682-S684 PolarHBondContact O-N 3.4Å; S682-S684 VanDerWaalsContact O-N 3.15Å; S682-S684 WeakPolarHBondContact OG-CB 3.39Å; S684-Y686 VanDerWaalsContact C-N 3.31Å; S684-Y686 PolarHBondContact OG-N 3.33Å; S684-Y686 VanDerWaalsContact OG-N 3.14Å
685	D	95	Very high	91.2	Very high	52 Å²	52	51.2 Å²	51.2	28%	0.278	26%	0.264	S	S	.	.			trans	-86.4	-3	171.4	78.3	-44.8	0	0	0	112.8	R672 K674 L675	R672-D685 IonicContact CZ-OD2 3.19Å; R672-D685 IonicContact NH1-OD1 2.99Å; R672-D685 IonicContact NH1-OD2 2.76Å; R672-D685 PolarHBondContact NH1-OD2 3.5Å; R672-D685 IonicContact NH2-OD1 3.99Å; R672-D685 IonicContact NH2-OD2 2.69Å; R672-D685 PolarHBondContact NH2-OD2 3.35Å; K674-D685 WeakPolarHBondContact CA-O 3.48Å; L675-D685 PolarHBondContact N-O 2.8Å; L675-D685 WeakPolarHBondContact O-CA 3.43Å; L675-D685 WeakPolarHBondContact O-CB 3.48Å
686	Y	96.9	Very high	90.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.9	-169	-177.1	-100.7	0	0	0	114.2	V650 A651 N656 K659 N660 P667 S684	V650-Y686 HydrophobicContact CG1-CD2 4.13Å; A651-Y686 HydrophobicContact CB-CE2 3.7Å; A651-Y686 VanDerWaalsContact CB-OH 3.32Å; A651-Y686 WeakPolarHBondContact CB-OH 3.48Å; N656-Y686 HydrophobicContact CB-CD1 3.49Å; N656-Y686 VanDerWaalsContact CB-CD1 3.49Å; N656-Y686 HydrophobicContact CB-CE1 3.78Å; N656-Y686 HydrophobicContact CB-CG 3.96Å; N656-Y686 VanDerWaalsContact CG-CG 3.42Å; N656-Y686 WeakPolarHBondContact ND2-CB 3.41Å; N656-Y686 WeakPolarHBondContact OD1-CB 3.3Å; K659-Y686 HydrophobicContact CB-CD1 4.14Å; K659-Y686 HydrophobicContact CB-CE1 4.05Å; K659-Y686 HydrophobicContact CD-CD1 4.1Å; K659-Y686 WeakPolarHBondContact CD-O 3.12Å; K659-Y686 PolarHBondContact NZ-O 3.39Å; K659-Y686 VanDerWaalsContact NZ-O 3.07Å; N660-Y686 WeakPolarHBondContact OD1-CE1 3.49Å; N660-Y686 PolarHBondContact OD1-OH 3.33Å; P667-Y686 WeakPolarHBondContact CD-OH 3.11Å; P667-Y686 HydrophobicContact CG-CE2 3.98Å; S684-Y686 VanDerWaalsContact C-N 3.31Å; S684-Y686 PolarHBondContact OG-N 3.33Å; S684-Y686 VanDerWaalsContact OG-N 3.14Å
687	V	97.3	Very high	90.2	Very high	8 Å²	8	51.9 Å²	51.9	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.8	167.6	60.2	0	0	0	0	108.2	V673 L675 A689 D715 V719	V673-V687 HydrophobicContact CB-CG1 4.1Å; V673-V687 HydrophobicContact CG1-CG1 4.23Å; L675-V687 HydrophobicContact CD1-CB 4.01Å; L675-V687 HydrophobicContact CD1-CG1 4.15Å; L675-V687 HydrophobicContact CD2-CG1 4.19Å; L675-V687 HydrophobicContact CG-CB 4.33Å; L675-V687 HydrophobicContact CG-CG1 3.92Å; V687-A689 VanDerWaalsContact C-N 3.25Å; V687-A689 HydrophobicContact CG1-CB 4.25Å; V687-A689 PolarHBondContact O-N 3.12Å; V687-D715 HydrophobicContact CG2-CB 4.32Å; V687-V719 HydrophobicContact CB-CG2 4.44Å; V687-V719 HydrophobicContact CG1-CG2 3.75Å; V687-V719 HydrophobicContact CG2-CG2 4.1Å
688	N	97.8	Very high	90	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	75.8	176.3	-173.7	-23.5	0	0	0	110.8	N660 S665 P667 T705 Q706 R871	N660-N688 PolarHBondContact OD1-ND2 3.47Å; S665-N688 PolarHBondContact O-ND2 3.33Å; S665-N688 PolarHBondContact O-OD1 2.94Å; P667-N688 WeakPolarHBondContact CD-OD1 3.41Å; N688-T705 PolarHBondContact O-OG1 2.85Å; N688-T705 VanDerWaalsContact O-OG1 3.06Å; N688-Q706 HydrophobicContact CB-CG 4.11Å; N688-Q706 PolarHBondContact ND2-OE1 3.44Å; N688-Q706 VanDerWaalsContact ND2-OE1 3.15Å; N688-Q706 PolarHBondContact O-N 2.87Å; N688-R871 PolarHBondContact OD1-NH1 2.99Å; N688-R871 PolarHBondContact OD1-NH2 3.44Å
689	A	98	Very high	90	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.7	175.9	0	0	0	0	0	110.9	R672 V673 V687 I703 A704	R672-A689 WeakPolarHBondContact CA-O 3.23Å; V673-A689 HydrophobicContact CB-CB 4.12Å; V673-A689 HydrophobicContact CG2-CB 3.81Å; V673-A689 PolarHBondContact N-O 3.39Å; V687-A689 VanDerWaalsContact C-N 3.25Å; V687-A689 HydrophobicContact CG1-CB 4.25Å; V687-A689 PolarHBondContact O-N 3.12Å; A689-I703 HydrophobicContact CB-CG2 3.92Å; A689-A704 CarbonylContact C-O 3.55Å; A689-A704 WeakPolarHBondContact CA-O 3.48Å
690	S	97.9	Very high	90.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.2	176.1	-56.7	0	0	0	0	110.8	P667 S671 I703 A704 Q870 R871	P667-S690 VanDerWaalsContact CB-OG 3.26Å; P667-S690 WeakPolarHBondContact CB-OG 3.3Å; S671-S690 WeakPolarHBondContact O-CA 3.41Å; S690-I703 CarbonylContact O-C 3.58Å; S690-I703 WeakPolarHBondContact O-CA 3.41Å; S690-A704 PolarHBondContact N-O 3.3Å; S690-A704 PolarHBondContact O-N 2.94Å; S690-Q870 WeakPolarHBondContact CB-O 3.16Å; S690-Q870 PolarHBondContact OG-O 3.09Å; S690-R871 WeakPolarHBondContact OG-CG 3.26Å; S690-R871 PolarHBondContact OG-NH1 3.31Å
691	T	96.3	Very high	90.7	Very high	41 Å²	41	58.3 Å²	58.3	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.6	166.2	53.1	0	0	0	0	110.1	S671 V673 P700	S671-T691 PolarHBondContact O-N 2.96Å; S671-T691 PolarHBondContact O-OG1 3.46Å; V673-T691 HydrophobicContact CG2-CG2 4.05Å; T691-P700 HydrophobicContact CG2-CB 4.39Å; T691-P700 HydrophobicContact CG2-CG 4.5Å
692	I	96.5	Very high	91.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.4	175	-45.9	-62.6	0	0	0	109.6	A701 Y702 A704 I842 M846 V867 Q870 R871 M874	I692-A701 PolarHBondContact O-N 3Å; I692-Y702 HydrophobicContact CB-CD2 4.19Å; I692-Y702 HydrophobicContact CG2-CD2 4.26Å; I692-Y702 PolarHBondContact N-O 3.29Å; I692-Y702 PolarHBondContact O-N 3.45Å; I692-Y702 VanDerWaalsContact O-N 3.08Å; I692-A704 HydrophobicContact CD1-CB 4.14Å; I692-A704 HydrophobicContact CG1-CB 3.82Å; I692-I842 HydrophobicContact CG1-CD1 4.36Å; I692-I842 HydrophobicContact CG2-CG2 4.27Å; I692-M846 HydrophobicContact CG2-CE 3.89Å; I692-V867 HydrophobicContact CG2-CG2 4.46Å; I692-Q870 HydrophobicContact CD1-CB 3.67Å; I692-R871 HydrophobicContact CD1-CB 4.09Å; I692-M874 HydrophobicContact CD1-CE 4.2Å; I692-M874 HydrophobicContact CG1-CE 4.4Å
693	I	93.4	Very high	91.7	Very high	40 Å²	40	52.2 Å²	52.2	21%	0.205	25%	0.252	C	S	.	.			trans	-95.4	133.8	179.1	-65.6	154.2	0	0	0	109.1	D696 P697 P700 H866 Q870	I693-D696 WeakPolarHBondContact CG2-O 3.37Å; I693-P697 HydrophobicContact CD1-CB 4.47Å; I693-P700 HydrophobicContact CG1-CB 4.46Å; I693-H866 PolarHBondContact O-NE2 3.33Å; I693-Q870 PolarHBondContact O-NE2 2.74Å
694	E	87.1	Confident	92.2	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.112	21%	0.213	C	C	.	.	S	Bend	trans	-91.5	-44.8	174.3	174.9	-175.9	-167.7	0	0	112.9	A701 M846 R850 K853	E694-A701 HydrophobicContact CB-CB 3.97Å; E694-M846 HydrophobicContact CB-CE 4.4Å; E694-M846 HydrophobicContact CB-CG 4.46Å; E694-M846 HydrophobicContact CG-CG 3.92Å; E694-R850 PolarHBondContact O-NH2 3.4Å; E694-K853 IonicContact OE1-NZ 2.64Å; E694-K853 PolarHBondContact OE1-NZ 2.93Å; E694-K853 IonicContact OE2-NZ 3.6Å; E694-K853 PolarHBondContact OE2-NZ 2.64Å
695	H	79.8	Confident	92.6	Very high	162 Å²	162	41.1 Å²	41.1	75%	0.75	21%	0.207	S	C	*	.	S	Bend	trans	-153.6	-45.3	-173.7	-174.4	-23.3	0	0	0	113.4	P697	H695-P697 WeakPolarHBondContact O-CD 3.2Å
696	D	82.8	Confident	92.7	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	20%	0.195	S	C	.	.			trans	-95	113	176.9	-177.8	-1.2	0	0	0	110.5	I693 R698 M699	I693-D696 WeakPolarHBondContact CG2-O 3.37Å; D696-R698 PolarHBondContact O-N 2.92Å; D696-R698 VanDerWaalsContact OD1-CB 3.29Å; D696-R698 WeakPolarHBondContact OD1-CB 3.48Å; D696-R698 WeakPolarHBondContact OD1-CG 3.39Å; D696-R698 PolarHBondContact OD1-N 3.49Å; D696-M699 HydrophobicContact CB-CB 4.41Å; D696-M699 HydrophobicContact CB-CE 4.31Å; D696-M699 CarbonylContact O-C 3.46Å; D696-M699 PolarHBondContact O-N 3.38Å; D696-M699 WeakPolarHBondContact OD2-CE 3.48Å
697	P	83.6	Confident	92.7	Very high	102 Å²	102	38.9 Å²	38.9	66%	0.662	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.6	178	-22.5	34.7	0	0	0	114.7	I693 H695	I693-P697 HydrophobicContact CD1-CB 4.47Å; H695-P697 WeakPolarHBondContact O-CD 3.2Å
698	R	83.4	Confident	92.7	Very high	222 Å²	222	38.6 Å²	38.6	84%	0.838	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.7	178	-57.3	171.9	177.6	169.6	0.5	113	D696	D696-R698 PolarHBondContact O-N 2.92Å; D696-R698 VanDerWaalsContact OD1-CB 3.29Å; D696-R698 WeakPolarHBondContact OD1-CB 3.48Å; D696-R698 WeakPolarHBondContact OD1-CG 3.39Å; D696-R698 PolarHBondContact OD1-N 3.49Å
699	M	84.2	Confident	92.7	Very high	83 Å²	83	39.7 Å²	39.7	41%	0.409	20%	0.199	S	C	.	.	S	Bend	trans	-134.1	89.7	-175	-63.8	-164.2	-72	0	0	109.8	D696 A701 S824	D696-M699 HydrophobicContact CB-CB 4.41Å; D696-M699 HydrophobicContact CB-CE 4.31Å; D696-M699 CarbonylContact O-C 3.46Å; D696-M699 PolarHBondContact O-N 3.38Å; D696-M699 WeakPolarHBondContact OD2-CE 3.48Å; M699-A701 PolarHBondContact O-N 3.3Å; M699-S824 PolarHBondContact SD-OG 2.94Å
700	P	90.6	Very high	92.6	Very high	37 Å²	37	43.6 Å²	43.6	24%	0.24	23%	0.225	C	C	.	.			trans	-58.6	137.1	173.4	26.2	-34	0	0	0	109.7	T691 I693 P826	T691-P700 HydrophobicContact CG2-CB 4.39Å; T691-P700 HydrophobicContact CG2-CG 4.5Å; I693-P700 HydrophobicContact CG1-CB 4.46Å; P700-P826 HydrophobicContact CG-CB 4.48Å; P700-P826 WeakPolarHBondContact O-CB 3.41Å
701	A	92.9	Very high	92.4	Very high	24 Å²	24	48.5 Å²	48.5	20%	0.198	25%	0.247	C	C	.	.	S	Bend	trans	-84.2	-33.7	179	0	0	0	0	0	111.1	I692 E694 M699 P826 I827	I692-A701 PolarHBondContact O-N 3Å; E694-A701 HydrophobicContact CB-CB 3.97Å; M699-A701 PolarHBondContact O-N 3.3Å; A701-P826 WeakPolarHBondContact O-CA 3.44Å; A701-I827 PolarHBondContact O-N 3.49Å
702	Y	96.2	Very high	92.4	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.7	-177.9	-37.9	-90.5	0	0	0	112	I692 I827 V829 I842 D845 M846 N849	I692-Y702 HydrophobicContact CB-CD2 4.19Å; I692-Y702 HydrophobicContact CG2-CD2 4.26Å; I692-Y702 PolarHBondContact N-O 3.29Å; I692-Y702 PolarHBondContact O-N 3.45Å; I692-Y702 VanDerWaalsContact O-N 3.08Å; Y702-I827 CarbonylContact C-O 3.57Å; Y702-I827 WeakPolarHBondContact CA-O 3.5Å; Y702-I827 HydrophobicContact CD1-CB 4.2Å; Y702-V829 HydrophobicContact CD1-CG2 4.18Å; Y702-I842 HydrophobicContact CD1-CG1 4.17Å; Y702-I842 HydrophobicContact CD2-CG1 4.43Å; Y702-I842 HydrophobicContact CD2-CG2 3.97Å; Y702-I842 HydrophobicContact CE2-CG2 4.08Å; Y702-I842 HydrophobicContact CG-CD1 4.16Å; Y702-I842 HydrophobicContact CG-CG1 4.07Å; Y702-I842 HydrophobicContact CG-CG2 4.45Å; Y702-D845 WeakPolarHBondContact CE1-OD2 3.27Å; Y702-D845 PolarHBondContact OH-OD2 3.04Å; Y702-D845 VanDerWaalsContact OH-OD2 3.04Å; Y702-M846 HydrophobicContact CD2-CE 4.48Å; Y702-M846 HydrophobicContact CE2-CE 3.99Å; Y702-N849 PolarHBondContact OH-ND2 2.98Å
703	I	97.8	Very high	92.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	108.7	162	-64.8	175.5	0	0	0	107.4	V673 A689 S690 V719 P826 I827 I828 V829	V673-I703 HydrophobicContact CG2-CD1 4.46Å; V673-I703 HydrophobicContact CG2-CG2 3.86Å; A689-I703 HydrophobicContact CB-CG2 3.92Å; S690-I703 CarbonylContact O-C 3.58Å; S690-I703 WeakPolarHBondContact O-CA 3.41Å; I703-V719 HydrophobicContact CD1-CG1 3.96Å; I703-V719 HydrophobicContact CG2-CG1 4.13Å; I703-P826 HydrophobicContact CD1-CB 4.44Å; I703-P826 HydrophobicContact CD1-CG 4.01Å; I703-P826 HydrophobicContact CG1-CB 4.16Å; I703-P826 HydrophobicContact CG1-CG 4.26Å; I703-I827 PolarHBondContact N-O 3.42Å; I703-I828 HydrophobicContact CB-CG1 4.31Å; I703-I828 WeakPolarHBondContact O-CA 3.37Å; I703-V829 PolarHBondContact O-N 2.88Å
704	A	98.3	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.4	176.9	0	0	0	0	0	109.5	A689 S690 I692 T838 I842 M874	A689-A704 CarbonylContact C-O 3.55Å; A689-A704 WeakPolarHBondContact CA-O 3.48Å; S690-A704 PolarHBondContact N-O 3.3Å; S690-A704 PolarHBondContact O-N 2.94Å; I692-A704 HydrophobicContact CD1-CB 4.14Å; I692-A704 HydrophobicContact CG1-CB 3.82Å; A704-T838 HydrophobicContact CB-CG2 3.69Å; A704-I842 HydrophobicContact CB-CD1 4.05Å; A704-M874 HydrophobicContact CB-CE 3.92Å; A704-M874 HydrophobicContact CB-SD 4.5Å
705	T	98.3	Very high	93	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.4	-173.8	-172.5	0	0	0	0	112.2	N688 F716 I828 V829 H830 G834	N688-T705 PolarHBondContact O-OG1 2.85Å; N688-T705 VanDerWaalsContact O-OG1 3.06Å; T705-F716 HydrophobicContact CG2-CD2 4.38Å; T705-F716 HydrophobicContact CG2-CE2 4.01Å; T705-I828 HydrophobicContact CG2-CG2 3.71Å; T705-V829 PolarHBondContact N-O 3.47Å; T705-V829 VanDerWaalsContact N-O 3.08Å; T705-H830 HydrophobicContact CG2-CB 3.65Å; T705-H830 WeakPolarHBondContact O-CA 3.39Å; T705-H830 WeakPolarHBondContact O-CB 3.31Å; T705-G834 WeakPolarHBondContact O-CA 3.28Å
706	Q	97.5	Very high	93.8	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.028	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.3	163.7	172.5	71.9	179	21	0	0	111.8	K659 N688 P708 S832	K659-Q706 PolarHBondContact O-NE2 3.13Å; N688-Q706 HydrophobicContact CB-CG 4.11Å; N688-Q706 PolarHBondContact ND2-OE1 3.44Å; N688-Q706 VanDerWaalsContact ND2-OE1 3.15Å; N688-Q706 PolarHBondContact O-N 2.87Å; Q706-P708 WeakPolarHBondContact O-CD 3.49Å; Q706-S832 WeakPolarHBondContact CA-O 3.29Å; Q706-S832 WeakPolarHBondContact CB-O 3.22Å
707	G	97.5	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-64.2	122.8	165.4	0	0	0	0	0	110.2	R661 C831 S832	R661-G707 PolarHBondContact NE-O 2.95Å; G707-C831 WeakPolarHBondContact CA-O 3.38Å; G707-C831 PolarHBondContact N-O 2.67Å; G707-S832 PolarHBondContact N-O 3.38Å
708	P	97.7	Very high	95	Very high	2 Å²	2	31 Å²	31	1%	0.013	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-51.8	146.4	-175.9	-31.9	38.3	0	0	0	113.7	R661 Q706 I713 F716 D743 Y745	R661-P708 PolarHBondContact NH2-O 3.05Å; Q706-P708 WeakPolarHBondContact O-CD 3.49Å; P708-I713 HydrophobicContact CB-CG1 4.19Å; P708-F716 HydrophobicContact CB-CB 4.4Å; P708-F716 HydrophobicContact CG-CB 3.88Å; P708-F716 HydrophobicContact CG-CD1 4.25Å; P708-F716 HydrophobicContact CG-CD2 3.49Å; P708-F716 VanDerWaalsContact CG-CD2 3.49Å; P708-F716 HydrophobicContact CG-CE2 4.03Å; P708-F716 HydrophobicContact CG-CG 3.6Å; P708-D743 VanDerWaalsContact O-CB 3.31Å; P708-D743 WeakPolarHBondContact O-CB 3.47Å; P708-D743 PolarHBondContact O-N 3.48Å; P708-Y745 HydrophobicContact CB-CD1 4.31Å; P708-Y745 HydrophobicContact CG-CD1 3.7Å; P708-Y745 HydrophobicContact CG-CE1 4.21Å; P708-Y745 HydrophobicContact CG-CG 4.19Å
709	L	96.6	Very high	95.6	Very high	23 Å²	23	20.6 Å²	20.6	12%	0.12	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-98.6	160.7	170.8	-67.7	164.2	0	0	0	109	R661 H711 T712 I713	R661-L709 HydrophobicContact CB-CD1 4.29Å; R661-L709 HydrophobicContact CB-CD2 4.16Å; R661-L709 HydrophobicContact CB-CG 4.27Å; R661-L709 HydrophobicContact CG-CD2 4.32Å; L709-H711 PolarHBondContact O-N 3.24Å; L709-H711 VanDerWaalsContact O-N 3.1Å; L709-T712 HydrophobicContact CB-CG2 4.15Å; L709-T712 HydrophobicContact CD1-CG2 4.46Å; L709-T712 PolarHBondContact N-OG1 2.84Å; L709-T712 PolarHBondContact O-N 3.03Å; L709-T712 PolarHBondContact O-OG1 3.27Å; L709-I713 WeakPolarHBondContact O-CG1 3.29Å; L709-I713 PolarHBondContact O-N 3.08Å
710	P	95.8	Very high	96.1	Very high	82 Å²	82	16.7 Å²	16.7	53%	0.532	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-50.8	-42.8	-175.7	-24	29.8	0	0	0	113.9	D743	P710-D743 WeakPolarHBondContact CG-OD1 3.38Å
711	H	94.8	Very high	96.1	Very high	102 Å²	102	15.4 Å²	15.4	47%	0.472	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-87.9	3.4	-179.4	58	-77.6	0	0	0	114.5	K658 L709	K658-H711 PolarHBondContact O-CE1 3.45Å; K658-H711 PolarHBondContact O-NE2 2.85Å; L709-H711 PolarHBondContact O-N 3.24Å; L709-H711 VanDerWaalsContact O-N 3.1Å
712	T	96.4	Very high	96.1	Very high	6 Å²	6	17.1 Å²	17.1	4%	0.037	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-118.9	10.1	173.9	78.7	0	0	0	0	112.9	K659 L709 D715 F716	K659-T712 HydrophobicContact CB-CG2 4.03Å; K659-T712 HydrophobicContact CG-CG2 4.07Å; L709-T712 HydrophobicContact CB-CG2 4.15Å; L709-T712 HydrophobicContact CD1-CG2 4.46Å; L709-T712 PolarHBondContact N-OG1 2.84Å; L709-T712 PolarHBondContact O-N 3.03Å; L709-T712 PolarHBondContact O-OG1 3.27Å; T712-D715 PolarHBondContact O-N 3.42Å; T712-F716 PolarHBondContact O-N 3.48Å
713	I	97.1	Very high	95.7	Very high	20 Å²	20	18.3 Å²	18.3	10%	0.103	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-39.6	175.8	-68.6	168.8	0	0	0	110.9	P708 L709 D715 F716 W717 D743 Y754	P708-I713 HydrophobicContact CB-CG1 4.19Å; L709-I713 WeakPolarHBondContact O-CG1 3.29Å; L709-I713 PolarHBondContact O-N 3.08Å; I713-D715 VanDerWaalsContact C-N 3.32Å; I713-D715 PolarHBondContact O-N 2.92Å; I713-F716 PolarHBondContact O-N 2.84Å; I713-W717 VanDerWaalsContact O-CD1 3.23Å; I713-W717 PolarHBondContact O-N 2.93Å; I713-W717 VanDerWaalsContact O-N 3.12Å; I713-D743 HydrophobicContact CD1-CB 4.48Å; I713-Y754 HydrophobicContact CG2-CD1 3.36Å; I713-Y754 HydrophobicContact CG2-CD2 4.46Å; I713-Y754 HydrophobicContact CG2-CE1 3.69Å; I713-Y754 HydrophobicContact CG2-CG 3.78Å
714	S	95.3	Very high	95.3	Very high	23 Å²	23	21.3 Å²	21.3	16%	0.161	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-44.7	171.9	50.9	0	0	0	0	111.8	F716 W717 Q718	S714-F716 VanDerWaalsContact C-N 3.33Å; S714-F716 PolarHBondContact O-N 3.29Å; S714-W717 PolarHBondContact O-N 3.28Å; S714-Q718 WeakPolarHBondContact O-CB 3.37Å; S714-Q718 PolarHBondContact O-N 3.28Å
715	D	96.1	Very high	94.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-37.3	-177.4	-61.6	0.8	0	0	0	110.6	K659 L675 N680 V687 T712 I713 Q718 V719	K659-D715 WeakPolarHBondContact CE-OD2 3.14Å; K659-D715 IonicContact NZ-OD2 2.71Å; K659-D715 PolarHBondContact NZ-OD2 2.94Å; L675-D715 HydrophobicContact CD1-CB 3.85Å; N680-D715 PolarHBondContact ND2-OD1 3.09Å; V687-D715 HydrophobicContact CG2-CB 4.32Å; T712-D715 PolarHBondContact O-N 3.42Å; I713-D715 VanDerWaalsContact C-N 3.32Å; I713-D715 PolarHBondContact O-N 2.92Å; D715-Q718 WeakPolarHBondContact O-CB 3.29Å; D715-Q718 PolarHBondContact O-N 2.89Å; D715-V719 WeakPolarHBondContact O-CG2 3.46Å; D715-V719 PolarHBondContact O-N 3.47Å
716	F	97.4	Very high	94.7	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.022	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-44.9	173.9	178.5	-90.7	0	0	0	112.6	T705 P708 T712 I713 S714 Q718 V719 S720 I728 Y745 I828	T705-F716 HydrophobicContact CG2-CD2 4.38Å; T705-F716 HydrophobicContact CG2-CE2 4.01Å; P708-F716 HydrophobicContact CB-CB 4.4Å; P708-F716 HydrophobicContact CG-CB 3.88Å; P708-F716 HydrophobicContact CG-CD1 4.25Å; P708-F716 HydrophobicContact CG-CD2 3.49Å; P708-F716 VanDerWaalsContact CG-CD2 3.49Å; P708-F716 HydrophobicContact CG-CE2 4.03Å; P708-F716 HydrophobicContact CG-CG 3.6Å; T712-F716 PolarHBondContact O-N 3.48Å; I713-F716 PolarHBondContact O-N 2.84Å; S714-F716 VanDerWaalsContact C-N 3.33Å; S714-F716 PolarHBondContact O-N 3.29Å; F716-Q718 VanDerWaalsContact C-N 3.3Å; F716-Q718 PolarHBondContact O-N 2.83Å; F716-V719 WeakPolarHBondContact O-CB 3.39Å; F716-V719 PolarHBondContact O-N 2.89Å; F716-S720 PolarHBondContact O-N 2.9Å; F716-I728 HydrophobicContact CE1-CD1 4.04Å; F716-I728 HydrophobicContact CZ-CD1 4.11Å; F716-I728 HydrophobicContact CZ-CG2 4.15Å; F716-Y745 AromaticContact CD1-CD2 3.94Å; F716-Y745 HydrophobicContact CD1-CD2 3.94Å; F716-Y745 HydrophobicContact CD1-CE2 4.25Å; F716-Y745 HydrophobicContact CD1-CG 4.28Å; F716-Y745 AromaticContact CE1-CD2 3.54Å; F716-Y745 HydrophobicContact CE1-CD2 3.54Å; F716-Y745 HydrophobicContact CE1-CE1 4.5Å; F716-Y745 AromaticContact CE1-CE2 3.39Å; F716-Y745 HydrophobicContact CE1-CE2 3.39Å; F716-Y745 HydrophobicContact CE1-CG 4.18Å; F716-Y745 AromaticContact CE1-CZ 3.89Å; F716-Y745 HydrophobicContact CZ-CD2 4.31Å; F716-Y745 HydrophobicContact CZ-CE1 4.39Å; F716-Y745 AromaticContact CZ-CE2 3.81Å; F716-Y745 HydrophobicContact CZ-CE2 3.81Å; F716-Y745 AromaticContact CZ-CZ 3.82Å; F716-I828 HydrophobicContact CE2-CG2 3.93Å; F716-I828 HydrophobicContact CZ-CG2 4.18Å
717	W	96.4	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.9	-30.1	175	-71.6	116.6	0	0	0	112.5	I713 S714 S720 S721 I728 Y745 Y754 Y757 V759 F776 L778 L789	I713-W717 VanDerWaalsContact O-CD1 3.23Å; I713-W717 PolarHBondContact O-N 2.93Å; I713-W717 VanDerWaalsContact O-N 3.12Å; S714-W717 PolarHBondContact O-N 3.28Å; W717-S720 PolarHBondContact O-N 3.22Å; W717-S721 WeakPolarHBondContact O-CB 3.3Å; W717-S721 PolarHBondContact O-N 3.36Å; W717-I728 HydrophobicContact CH2-CD1 4.32Å; W717-I728 HydrophobicContact CZ3-CD1 4.18Å; W717-Y745 HydrophobicContact CH2-CD2 4.42Å; W717-Y745 AromaticContact CZ2-CD2 3.69Å; W717-Y745 HydrophobicContact CZ2-CD2 3.69Å; W717-Y745 HydrophobicContact CZ2-CE2 4.24Å; W717-Y745 WeakPolarHBondContact CZ2-O 3.3Å; W717-Y745 PolarHBondContact NE1-O 2.87Å; W717-Y754 AromaticContact CD1-CD2 3.45Å; W717-Y754 VanDerWaalsContact CD1-CD2 3.45Å; W717-Y754 AromaticContact CD1-CG 3.69Å; W717-Y754 HydrophobicContact CG-CD2 4.38Å; W717-Y754 AromaticContact NE1-CD2 3.31Å; W717-Y754 VanDerWaalsContact NE1-CD2 3.31Å; W717-Y754 AromaticContact NE1-CE2 3.56Å; W717-Y754 AromaticContact NE1-CG 3.9Å; W717-Y757 HydrophobicContact CB-CD2 3.82Å; W717-Y757 HydrophobicContact CB-CG 3.91Å; W717-V759 HydrophobicContact CD2-CG2 3.76Å; W717-V759 HydrophobicContact CE3-CG2 4.03Å; W717-V759 HydrophobicContact CG-CG2 4.28Å; W717-V759 HydrophobicContact CH2-CG1 3.84Å; W717-V759 HydrophobicContact CH2-CG2 4.12Å; W717-V759 HydrophobicContact CZ2-CB 4.36Å; W717-V759 HydrophobicContact CZ2-CG1 3.75Å; W717-V759 HydrophobicContact CZ2-CG2 3.83Å; W717-V759 HydrophobicContact CZ3-CG2 4.21Å; W717-F776 HydrophobicContact CH2-CD2 4.39Å; W717-L778 HydrophobicContact CE3-CD1 4.19Å; W717-L778 HydrophobicContact CE3-CD2 4.49Å; W717-L789 HydrophobicContact CZ3-CD1 4.38Å
718	Q	95.3	Very high	94.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-44.9	168.8	-166.4	177.3	-4.5	0	0	111.5	L675 K676 S679 N680 S714 D715 F716 S720 S721 E722 Y757	L675-Q718 HydrophobicContact CD1-CB 4.43Å; L675-Q718 HydrophobicContact CD2-CB 4.17Å; L675-Q718 HydrophobicContact CD2-CG 3.96Å; K676-Q718 PolarHBondContact O-NE2 2.76Å; S679-Q718 PolarHBondContact OG-NE2 2.86Å; N680-Q718 PolarHBondContact ND2-OE1 2.86Å; S714-Q718 WeakPolarHBondContact O-CB 3.37Å; S714-Q718 PolarHBondContact O-N 3.28Å; D715-Q718 WeakPolarHBondContact O-CB 3.29Å; D715-Q718 PolarHBondContact O-N 2.89Å; F716-Q718 VanDerWaalsContact C-N 3.3Å; F716-Q718 PolarHBondContact O-N 2.83Å; Q718-S720 VanDerWaalsContact C-N 3.33Å; Q718-S720 PolarHBondContact O-N 3.28Å; Q718-S721 PolarHBondContact O-N 3.37Å; Q718-E722 HydrophobicContact CG-CG 4.09Å; Q718-E722 WeakPolarHBondContact CG-OE1 3.48Å; Q718-E722 PolarHBondContact NE2-OE1 2.95Å; Q718-E722 PolarHBondContact NE2-OE2 3.2Å; Q718-E722 WeakPolarHBondContact O-CB 3.39Å; Q718-E722 PolarHBondContact O-N 3.49Å; Q718-Y757 HydrophobicContact CB-CE2 3.84Å; Q718-Y757 HydrophobicContact CG-CE2 4.35Å
719	V	95.3	Very high	94.7	Very high	4 Å²	4	22 Å²	22	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-55.2	-47.9	171.7	174	0	0	0	0	111	V673 L675 V687 I703 D715 F716 S721 G723 I828	V673-V719 HydrophobicContact CG1-CG1 4.48Å; V673-V719 HydrophobicContact CG1-CG2 4.13Å; L675-V719 HydrophobicContact CD2-CG2 3.73Å; V687-V719 HydrophobicContact CB-CG2 4.44Å; V687-V719 HydrophobicContact CG1-CG2 3.75Å; V687-V719 HydrophobicContact CG2-CG2 4.1Å; I703-V719 HydrophobicContact CD1-CG1 3.96Å; I703-V719 HydrophobicContact CG2-CG1 4.13Å; D715-V719 WeakPolarHBondContact O-CG2 3.46Å; D715-V719 PolarHBondContact O-N 3.47Å; F716-V719 WeakPolarHBondContact O-CB 3.39Å; F716-V719 PolarHBondContact O-N 2.89Å; V719-S721 VanDerWaalsContact C-N 3.33Å; V719-S721 PolarHBondContact O-N 3.45Å; V719-G723 WeakPolarHBondContact O-CA 3.3Å; V719-G723 PolarHBondContact O-N 3.42Å; V719-I828 HydrophobicContact CG1-CD1 4.24Å
720	S	94.2	Very high	94.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-36.4	-178.7	-163.8	0	0	0	0	113.1	F716 W717 Q718 C725 L789	F716-S720 PolarHBondContact O-N 2.9Å; W717-S720 PolarHBondContact O-N 3.22Å; Q718-S720 VanDerWaalsContact C-N 3.33Å; Q718-S720 PolarHBondContact O-N 3.28Å; S720-C725 PolarHBondContact O-N 2.95Å; S720-L789 WeakPolarHBondContact OG-CD1 3.41Å; S720-L789 WeakPolarHBondContact OG-CD2 3.47Å
721	S	92.2	Very high	94.8	Very high	10 Å²	10	17 Å²	17	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-77.5	-45.3	179.2	-170.3	0	0	0	0	112.6	W717 Q718 V719 Y757 R787	W717-S721 WeakPolarHBondContact O-CB 3.3Å; W717-S721 PolarHBondContact O-N 3.36Å; Q718-S721 PolarHBondContact O-N 3.37Å; V719-S721 VanDerWaalsContact C-N 3.33Å; V719-S721 PolarHBondContact O-N 3.45Å; S721-Y757 VanDerWaalsContact CB-CE1 3.47Å; S721-R787 PolarHBondContact O-NH1 3.31Å; S721-R787 PolarHBondContact O-NH2 3.41Å
722	E	92.3	Very high	94.8	Very high	60 Å²	60	12.1 Å²	12.1	28%	0.28	7%	0.073	S	C	.	.	H	α-helix	trans	-79.8	-35.1	-175.9	-66.6	-176.7	-178.6	0	0	112.1	K676 S679 Q718 N724	K676-E722 WeakPolarHBondContact CG-OE2 3.49Å; K676-E722 PolarHBondContact N-OE2 3.41Å; S679-E722 PolarHBondContact OG-OE1 2.85Å; Q718-E722 HydrophobicContact CG-CG 4.09Å; Q718-E722 WeakPolarHBondContact CG-OE1 3.48Å; Q718-E722 PolarHBondContact NE2-OE1 2.95Å; Q718-E722 PolarHBondContact NE2-OE2 3.2Å; Q718-E722 WeakPolarHBondContact O-CB 3.39Å; Q718-E722 PolarHBondContact O-N 3.49Å; E722-N724 PolarHBondContact O-N 2.9Å
723	G	87.4	Confident	94.7	Very high	28 Å²	28	13 Å²	13	29%	0.289	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.3	174.9	0	0	0	0	0	115.2	V719 C725 P826	V719-G723 WeakPolarHBondContact O-CA 3.3Å; V719-G723 PolarHBondContact O-N 3.42Å; G723-C725 VanDerWaalsContact C-N 3.31Å; G723-C725 PolarHBondContact O-N 3.45Å; G723-P826 WeakPolarHBondContact O-CD 3.32Å; G723-P826 WeakPolarHBondContact O-CG 3.39Å
724	N	88.8	Confident	94.6	Very high	68 Å²	68	14.3 Å²	14.3	36%	0.364	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.6	-177.3	-164	38.8	0	0	0	114.8	E722 R787 C825	E722-N724 PolarHBondContact O-N 2.9Å; N724-R787 PolarHBondContact OD1-NH1 3.42Å; N724-C825 PolarHBondContact ND2-SG 2.84Å; N724-C825 VanDerWaalsContact ND2-SG 3.45Å; N724-C825 WeakPolarHBondContact O-CB 3.42Å; N724-C825 PolarHBondContact O-SG 3.4Å
725	C	91.7	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.104	C	C	.	.			trans	-79.7	135.4	179	-51.5	0	0	0	0	110.3	S720 G723 L789 I828	S720-C725 PolarHBondContact O-N 2.95Å; G723-C725 VanDerWaalsContact C-N 3.31Å; G723-C725 PolarHBondContact O-N 3.45Å; C725-L789 WeakPolarHBondContact O-CD2 3.25Å; C725-I828 HydrophobicContact CB-CD1 3.79Å; C725-I828 HydrophobicContact CB-CG1 3.91Å; C725-I828 VanDerWaalsContact SG-CG1 3.58Å
726	T	93	Very high	94.3	Very high	22 Å²	22	17.9 Å²	17.9	14%	0.135	11%	0.108	C	C	.	.			trans	-111.2	-7.5	170.5	63.4	0	0	0	0	112.9	L789 T790	T726-L789 WeakPolarHBondContact O-CA 3.39Å; T726-T790 PolarHBondContact O-N 3.11Å
727	V	96.3	Very high	93.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.9	-176.3	-173.9	0	0	0	0	110.4	V729 T790 F792 V816 C819 I827 I828	V727-V729 HydrophobicContact CG1-CG2 4.44Å; V727-T790 WeakPolarHBondContact CA-O 3.46Å; V727-F792 HydrophobicContact CG1-CD2 3.83Å; V727-F792 HydrophobicContact CG1-CE2 3.94Å; V727-V816 HydrophobicContact CG1-CG1 4.15Å; V727-C819 HydrophobicContact CG2-CB 4.44Å; V727-I827 HydrophobicContact CB-CG1 4.34Å; V727-I827 HydrophobicContact CB-CG2 4.26Å; V727-I827 HydrophobicContact CG1-CG2 4.02Å; V727-I828 PolarHBondContact O-N 3.26Å
728	I	97.8	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	172.6	-57.8	170	0	0	0	108.3	F716 W717 Y745 L789 T790 Q791 F792 I828	F716-I728 HydrophobicContact CE1-CD1 4.04Å; F716-I728 HydrophobicContact CZ-CD1 4.11Å; F716-I728 HydrophobicContact CZ-CG2 4.15Å; W717-I728 HydrophobicContact CH2-CD1 4.32Å; W717-I728 HydrophobicContact CZ3-CD1 4.18Å; I728-Y745 WeakPolarHBondContact CG2-OH 3.24Å; I728-L789 HydrophobicContact CD1-CD2 3.95Å; I728-L789 HydrophobicContact CG1-CD2 3.95Å; I728-T790 PolarHBondContact N-O 2.85Å; I728-Q791 HydrophobicContact CB-CB 4.35Å; I728-Q791 HydrophobicContact CB-CG 4.34Å; I728-Q791 HydrophobicContact CG2-CG 4.29Å; I728-Q791 CarbonylContact O-C 3.55Å; I728-Q791 WeakPolarHBondContact O-CA 3.38Å; I728-F792 PolarHBondContact O-N 2.89Å; I728-I828 CarbonylContact C-O 3.52Å; I728-I828 WeakPolarHBondContact CA-O 3.26Å; I728-I828 HydrophobicContact CG1-CB 4.25Å; I728-I828 HydrophobicContact CG1-CD1 4.32Å; I728-I828 HydrophobicContact CG2-CB 4.48Å; I728-I828 HydrophobicContact CG2-CG2 4.33Å
729	V	98.2	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.6	176.6	172.6	0	0	0	0	108.5	V727 M731 F812 V816 I827 I828 V829 H830 Y841	V727-V729 HydrophobicContact CG1-CG2 4.44Å; V729-M731 HydrophobicContact CG1-CG 3.96Å; V729-M731 HydrophobicContact CG1-SD 3.47Å; V729-M731 WeakPolarHBondContact CG1-SD 3.34Å; V729-F812 HydrophobicContact CG1-CE1 3.79Å; V729-F812 HydrophobicContact CG1-CZ 3.97Å; V729-V816 HydrophobicContact CG2-CG1 3.92Å; V729-V816 HydrophobicContact CG2-CG2 4.01Å; V729-I827 HydrophobicContact CG2-CG2 3.74Å; V729-I828 PolarHBondContact N-O 2.81Å; V729-V829 HydrophobicContact CB-CB 4.48Å; V729-V829 HydrophobicContact CB-CG1 4.29Å; V729-V829 HydrophobicContact CB-CG2 4.23Å; V729-V829 HydrophobicContact CG1-CG1 4.08Å; V729-V829 WeakPolarHBondContact O-CA 3.25Å; V729-H830 PolarHBondContact O-N 3.41Å; V729-Y841 HydrophobicContact CG1-CD1 4.18Å; V729-Y841 HydrophobicContact CG1-CE1 4Å; V729-Y841 HydrophobicContact CG1-CE2 4.38Å; V729-Y841 HydrophobicContact CG1-CG 4.47Å; V729-Y841 HydrophobicContact CG2-CE1 4.34Å
730	M	98.1	Very high	92.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.9	-179	178.1	163.5	-178.5	0	0	110	T732 L734 C742 Y745 W746 F792 H793 F794 H830	M730-T732 HydrophobicContact CE-CG2 4.1Å; M730-T732 VanDerWaalsContact CE-O 3.26Å; M730-T732 WeakPolarHBondContact CE-O 3.37Å; M730-L734 HydrophobicContact CE-CD2 3.99Å; M730-C742 HydrophobicContact CE-CB 3.93Å; M730-Y745 HydrophobicContact SD-CE1 4.14Å; M730-W746 HydrophobicContact CE-CH2 3.8Å; M730-W746 HydrophobicContact CE-CZ3 3.96Å; M730-W746 HydrophobicContact SD-CH2 3.66Å; M730-W746 HydrophobicContact SD-CZ3 3.57Å; M730-W746 VanDerWaalsContact SD-CZ3 3.57Å; M730-F792 PolarHBondContact N-O 3.06Å; M730-H793 HydrophobicContact CB-CB 4.5Å; M730-H793 WeakPolarHBondContact CE-NE2 3.47Å; M730-F794 PolarHBondContact O-N 3.2Å; M730-H830 WeakPolarHBondContact CB-NE2 3.06Å; M730-H830 VanDerWaalsContact CG-CE1 3.4Å; M730-H830 WeakPolarHBondContact CG-CE1 3.31Å; M730-H830 WeakPolarHBondContact CG-NE2 3.02Å; M730-H830 VanDerWaalsContact SD-CE1 3.58Å
731	M	96.8	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.			trans	-106.5	28.4	-171.2	-57.6	-53.9	-58.3	0	0	113.5	V729 F794 W797 L809 F812 H830 C831 R837 Y841	V729-M731 HydrophobicContact CG1-CG 3.96Å; V729-M731 HydrophobicContact CG1-SD 3.47Å; V729-M731 WeakPolarHBondContact CG1-SD 3.34Å; M731-F794 HydrophobicContact CE-CB 3.84Å; M731-F794 HydrophobicContact CE-CD1 3.84Å; M731-F794 HydrophobicContact CE-CG 3.89Å; M731-F794 HydrophobicContact SD-CB 3.96Å; M731-W797 HydrophobicContact CE-CE3 3.68Å; M731-W797 HydrophobicContact CE-CZ3 3.89Å; M731-L809 HydrophobicContact CE-CD1 3.43Å; M731-L809 VanDerWaalsContact CE-CD1 3.43Å; M731-F812 HydrophobicContact CE-CE1 4.39Å; M731-F812 HydrophobicContact SD-CE1 3.66Å; M731-F812 HydrophobicContact SD-CZ 4.01Å; M731-H830 PolarHBondContact N-O 3.48Å; M731-C831 HydrophobicContact CB-CB 4.16Å; M731-R837 HydrophobicContact CB-CB 4Å; M731-R837 WeakPolarHBondContact O-CD 3.07Å; M731-R837 PolarHBondContact O-NH1 3.06Å; M731-Y841 HydrophobicContact CE-CD2 4.32Å; M731-Y841 HydrophobicContact SD-CD2 4.2Å; M731-Y841 HydrophobicContact SD-CG 4.43Å
732	T	95	Very high	93.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	23%	0.227	C	C	.	.	S	Bend	trans	-154.8	149.2	-175.8	-164.6	0	0	0	0	110.2	M730 E736 Q741 C742 H793 R837	M730-T732 HydrophobicContact CE-CG2 4.1Å; M730-T732 VanDerWaalsContact CE-O 3.26Å; M730-T732 WeakPolarHBondContact CE-O 3.37Å; T732-E736 WeakPolarHBondContact CA-OE1 3.21Å; T732-E736 WeakPolarHBondContact CB-OE1 3.38Å; T732-E736 PolarHBondContact OG1-OE1 2.82Å; T732-Q741 WeakPolarHBondContact OG1-CB 3.37Å; T732-C742 HydrophobicContact CG2-CB 4.01Å; T732-H793 PolarHBondContact O-NE2 3.14Å; T732-R837 PolarHBondContact OG1-NH1 3.07Å
733	A	94	Very high	93.4	Very high	25 Å²	25	37.5 Å²	37.5	21%	0.207	22%	0.219	C	C	.	.			trans	-74.8	168.1	163.4	0	0	0	0	0	110.3	V735 E736 H793	A733-V735 VanDerWaalsContact C-N 3.32Å; A733-E736 HydrophobicContact CB-CG 3.85Å; A733-E736 PolarHBondContact N-OE1 3.44Å; A733-H793 VanDerWaalsContact CA-NE2 3.3Å; A733-H793 WeakPolarHBondContact CA-NE2 3.25Å; A733-H793 PolarHBondContact N-NE2 3.07Å
734	L	94.4	Very high	93.8	Very high	47 Å²	47	41.4 Å²	41.4	25%	0.246	23%	0.225	C	C	.	.	S	Bend	trans	-68.3	-34.7	177.7	-66.1	170.8	0	0	0	112.2	M730 Q741 C742 R744 W746	M730-L734 HydrophobicContact CE-CD2 3.99Å; L734-Q741 PolarHBondContact O-N 3.27Å; L734-C742 HydrophobicContact CD2-CB 4.21Å; L734-C742 WeakPolarHBondContact CD2-O 3.48Å; L734-C742 PolarHBondContact O-N 3.42Å; L734-R744 HydrophobicContact CD1-CB 3.93Å; L734-R744 HydrophobicContact CD1-CG 4.1Å; L734-R744 HydrophobicContact CD2-CB 4Å; L734-R744 HydrophobicContact CD2-CG 4.48Å; L734-W746 HydrophobicContact CD1-CH2 4.34Å; L734-W746 HydrophobicContact CD1-CZ2 4.41Å; L734-W746 HydrophobicContact CD2-CH2 3.76Å; L734-W746 HydrophobicContact CD2-CZ3 4.18Å; L734-W746 HydrophobicContact CG-CH2 4.22Å
735	V	93.9	Very high	94.2	Very high	83 Å²	83	38.2 Å²	38.2	50%	0.503	21%	0.207	S	C	.	.			trans	-138	133.6	179.7	-178.8	0	0	0	0	108.2	A733 E739 K740	A733-V735 VanDerWaalsContact C-N 3.32Å; V735-E739 CarbonylContact C-O 3.46Å; V735-E739 VanDerWaalsContact CA-O 3.32Å; V735-E739 WeakPolarHBondContact CA-O 3.34Å; V735-K740 HydrophobicContact CG2-CG 4.45Å
736	E	91	Very high	94.5	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.079	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-140.6	133.3	-177.9	-61.2	177.3	-170.5	0	0	108.6	T732 A733 G738 E739 Q741 A799 R837	T732-E736 WeakPolarHBondContact CA-OE1 3.21Å; T732-E736 WeakPolarHBondContact CB-OE1 3.38Å; T732-E736 PolarHBondContact OG1-OE1 2.82Å; A733-E736 HydrophobicContact CB-CG 3.85Å; A733-E736 PolarHBondContact N-OE1 3.44Å; E736-G738 PolarHBondContact O-N 2.64Å; E736-E739 PolarHBondContact N-O 2.95Å; E736-E739 PolarHBondContact O-N 2.57Å; E736-Q741 HydrophobicContact CB-CG 3.77Å; E736-Q741 HydrophobicContact CG-CG 3.78Å; E736-A799 HydrophobicContact CB-CB 4.02Å; E736-A799 WeakPolarHBondContact OE2-CA 3.46Å; E736-R837 VanDerWaalsContact CD-NH1 3.35Å; E736-R837 IonicContact OE1-CZ 2.74Å; E736-R837 IonicContact OE1-NH1 2.71Å; E736-R837 PolarHBondContact OE1-NH1 3.46Å; E736-R837 IonicContact OE1-NH2 3.03Å; E736-R837 IonicContact OE2-CZ 3.79Å; E736-R837 VanDerWaalsContact OE2-CZ 3.3Å; E736-R837 IonicContact OE2-NH1 3.55Å; E736-R837 PolarHBondContact OE2-NH1 2.83Å; E736-R837 IonicContact OE2-NH2 2.98Å; E736-R837 PolarHBondContact OE2-NH2 2.92Å
737	D	87.1	Confident	94.7	Very high	123 Å²	123	37.6 Å²	37.6	66%	0.658	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	15.8	-170.7	-64.4	-9.7	0	0	0	115.4	A799 Q800	D737-A799 HydrophobicContact CB-CB 4.4Å; D737-A799 VanDerWaalsContact OD2-CB 3.25Å; D737-A799 WeakPolarHBondContact OD2-CB 3.31Å; D737-Q800 PolarHBondContact OD2-NE2 2.78Å
738	G	85.8	Confident	94.4	Very high	66 Å²	66	42 Å²	42	68%	0.68	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.5	-14.2	-173	0	0	0	0	0	114.1	E736	E736-G738 PolarHBondContact O-N 2.64Å
739	E	89.8	Confident	94.1	Very high	138 Å²	138	50.2 Å²	50.2	65%	0.645	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-87.5	141.2	178.2	-73.9	-59.8	157.1	0	0	112.6	V735 E736 Q741	V735-E739 CarbonylContact C-O 3.46Å; V735-E739 VanDerWaalsContact CA-O 3.32Å; V735-E739 WeakPolarHBondContact CA-O 3.34Å; E736-E739 PolarHBondContact N-O 2.95Å; E736-E739 PolarHBondContact O-N 2.57Å; E739-Q741 PolarHBondContact O-N 2.98Å
740	K	93.2	Very high	93.8	Very high	107 Å²	107	52.5 Å²	52.5	47%	0.465	29%	0.289	S	S	.	.			trans	-88.5	94.1	-170.4	-170.3	-177.4	-179	-173.3	0	112.1	R661 V735 D743	R661-K740 PolarHBondContact NH1-O 2.57Å; V735-K740 HydrophobicContact CG2-CG 4.45Å; K740-D743 VanDerWaalsContact CE-CG 3.44Å; K740-D743 VanDerWaalsContact CE-OD1 3.23Å; K740-D743 WeakPolarHBondContact CE-OD1 3.37Å; K740-D743 WeakPolarHBondContact CE-OD2 3.48Å; K740-D743 VanDerWaalsContact NZ-CG 3.29Å; K740-D743 IonicContact NZ-OD1 2.82Å; K740-D743 PolarHBondContact NZ-OD1 2.97Å; K740-D743 IonicContact NZ-OD2 3.2Å; K740-D743 PolarHBondContact NZ-OD2 3.19Å
741	Q	94.4	Very high	93.7	Very high	40 Å²	40	55.6 Å²	55.6	19%	0.187	31%	0.31	C	S	.	.			trans	-73.7	-35.2	-176.8	-57.2	-52.3	-30.6	0	0	114	R661 T732 L734 E736 E739 S832	R661-Q741 WeakPolarHBondContact CD-O 3.45Å; R661-Q741 VanDerWaalsContact CZ-O 3.27Å; R661-Q741 PolarHBondContact NE-O 3.07Å; R661-Q741 PolarHBondContact NH1-O 3.48Å; T732-Q741 WeakPolarHBondContact OG1-CB 3.37Å; L734-Q741 PolarHBondContact O-N 3.27Å; E736-Q741 HydrophobicContact CB-CG 3.77Å; E736-Q741 HydrophobicContact CG-CG 3.78Å; E739-Q741 PolarHBondContact O-N 2.98Å; Q741-S832 PolarHBondContact O-OG 2.97Å; Q741-S832 PolarHBondContact OE1-OG 3.17Å
742	C	96.8	Very high	93.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	33%	0.325	C	S	.	.			trans	-147.9	144.2	-178.2	-171.1	0	0	0	0	111.2	M730 T732 L734	M730-C742 HydrophobicContact CE-CB 3.93Å; T732-C742 HydrophobicContact CG2-CB 4.01Å; L734-C742 HydrophobicContact CD2-CB 4.21Å; L734-C742 WeakPolarHBondContact CD2-O 3.48Å; L734-C742 PolarHBondContact O-N 3.42Å
743	D	97.2	Very high	93.7	Very high	18 Å²	18	62.9 Å²	62.9	10%	0.096	35%	0.352	C	S	.	.			trans	-82.8	147.7	167	-75.8	-104.9	0	0	0	110.5	R661 P708 P710 I713 K740 Y745	R661-D743 IonicContact CZ-OD2 3.68Å; R661-D743 IonicContact NH2-OD2 2.72Å; R661-D743 PolarHBondContact NH2-OD2 3.22Å; P708-D743 VanDerWaalsContact O-CB 3.31Å; P708-D743 WeakPolarHBondContact O-CB 3.47Å; P708-D743 PolarHBondContact O-N 3.48Å; P710-D743 WeakPolarHBondContact CG-OD1 3.38Å; I713-D743 HydrophobicContact CD1-CB 4.48Å; K740-D743 VanDerWaalsContact CE-CG 3.44Å; K740-D743 VanDerWaalsContact CE-OD1 3.23Å; K740-D743 WeakPolarHBondContact CE-OD1 3.37Å; K740-D743 WeakPolarHBondContact CE-OD2 3.48Å; K740-D743 VanDerWaalsContact NZ-CG 3.29Å; K740-D743 IonicContact NZ-OD1 2.82Å; K740-D743 PolarHBondContact NZ-OD1 2.97Å; K740-D743 IonicContact NZ-OD2 3.2Å; K740-D743 PolarHBondContact NZ-OD2 3.19Å; D743-Y745 PolarHBondContact O-N 2.96Å; D743-Y745 VanDerWaalsContact O-N 3.15Å
744	R	97.2	Very high	93.8	Very high	110 Å²	110	63.6 Å²	63.6	42%	0.415	35%	0.35	S	S	.	.			trans	-77.7	104.3	177.9	-164	-176.7	67.4	-152.5	3.9	109.4	L734 W746 D748	L734-R744 HydrophobicContact CD1-CB 3.93Å; L734-R744 HydrophobicContact CD1-CG 4.1Å; L734-R744 HydrophobicContact CD2-CB 4Å; L734-R744 HydrophobicContact CD2-CG 4.48Å; R744-W746 VanDerWaalsContact C-N 3.31Å; R744-W746 HydrophobicContact CG-CD2 3.56Å; R744-W746 VanDerWaalsContact CG-CE2 3.47Å; R744-W746 HydrophobicContact CG-CE3 3.87Å; R744-W746 HydrophobicContact CG-CG 4.1Å; R744-W746 HydrophobicContact CG-CH2 4.03Å; R744-W746 HydrophobicContact CG-CZ2 3.72Å; R744-W746 HydrophobicContact CG-CZ3 4.09Å; R744-W746 PolarHBondContact NE-O 3.16Å; R744-D748 IonicContact CZ-OD1 3.98Å; R744-D748 IonicContact CZ-OD2 2.71Å; R744-D748 IonicContact NE-OD1 2.73Å; R744-D748 PolarHBondContact NE-OD1 2.84Å; R744-D748 IonicContact NH1-OD1 3.65Å; R744-D748 PolarHBondContact NH1-OD1 3.11Å; R744-D748 IonicContact NH1-OD2 2.59Å; R744-D748 PolarHBondContact NH1-OD2 3.17Å; R744-D748 VanDerWaalsContact NH2-CG 3.33Å; R744-D748 IonicContact NH2-OD1 3.41Å; R744-D748 IonicContact NH2-OD2 2.85Å; R744-D748 PolarHBondContact NH2-OD2 2.93Å
745	Y	97.4	Very high	93.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.358	C	S	.	.			trans	-89.4	9.9	-178.7	57.9	-96.6	0	0	0	113.8	P708 F716 W717 I728 M730 D743 Y754 Q791 H830	P708-Y745 HydrophobicContact CB-CD1 4.31Å; P708-Y745 HydrophobicContact CG-CD1 3.7Å; P708-Y745 HydrophobicContact CG-CE1 4.21Å; P708-Y745 HydrophobicContact CG-CG 4.19Å; F716-Y745 AromaticContact CD1-CD2 3.94Å; F716-Y745 HydrophobicContact CD1-CD2 3.94Å; F716-Y745 HydrophobicContact CD1-CE2 4.25Å; F716-Y745 HydrophobicContact CD1-CG 4.28Å; F716-Y745 AromaticContact CE1-CD2 3.54Å; F716-Y745 HydrophobicContact CE1-CD2 3.54Å; F716-Y745 HydrophobicContact CE1-CE1 4.5Å; F716-Y745 AromaticContact CE1-CE2 3.39Å; F716-Y745 HydrophobicContact CE1-CE2 3.39Å; F716-Y745 HydrophobicContact CE1-CG 4.18Å; F716-Y745 AromaticContact CE1-CZ 3.89Å; F716-Y745 HydrophobicContact CZ-CD2 4.31Å; F716-Y745 HydrophobicContact CZ-CE1 4.39Å; F716-Y745 AromaticContact CZ-CE2 3.81Å; F716-Y745 HydrophobicContact CZ-CE2 3.81Å; F716-Y745 AromaticContact CZ-CZ 3.82Å; W717-Y745 HydrophobicContact CH2-CD2 4.42Å; W717-Y745 AromaticContact CZ2-CD2 3.69Å; W717-Y745 HydrophobicContact CZ2-CD2 3.69Å; W717-Y745 HydrophobicContact CZ2-CE2 4.24Å; W717-Y745 WeakPolarHBondContact CZ2-O 3.3Å; W717-Y745 PolarHBondContact NE1-O 2.87Å; I728-Y745 WeakPolarHBondContact CG2-OH 3.24Å; M730-Y745 HydrophobicContact SD-CE1 4.14Å; D743-Y745 PolarHBondContact O-N 2.96Å; D743-Y745 VanDerWaalsContact O-N 3.15Å; Y745-Y754 VanDerWaalsContact O-CE2 3.29Å; Y745-Y754 WeakPolarHBondContact O-CE2 3.39Å; Y745-Y754 VanDerWaalsContact O-CZ 3.3Å; Y745-Y754 PolarHBondContact O-OH 3.19Å; Y745-Q791 VanDerWaalsContact CZ-NE2 3.32Å; Y745-Q791 PolarHBondContact OH-NE2 3.26Å; Y745-H830 AromaticContact CE1-CE1 3.69Å; Y745-H830 AromaticContact CE1-NE2 3.4Å; Y745-H830 WeakPolarHBondContact CE1-NE2 3.46Å; Y745-H830 AromaticContact CZ-NE2 3.5Å; Y745-H830 PolarHBondContact OH-NE2 3.39Å
746	W	97.5	Very high	93.6	Very high	7 Å²	7	62 Å²	62	3%	0.027	34%	0.336	C	S	.	.	S	Bend	trans	-130.5	155.3	-177.1	67.2	92	0	0	0	112.4	M730 L734 R744 Y754 F776 H793	M730-W746 HydrophobicContact CE-CH2 3.8Å; M730-W746 HydrophobicContact CE-CZ3 3.96Å; M730-W746 HydrophobicContact SD-CH2 3.66Å; M730-W746 HydrophobicContact SD-CZ3 3.57Å; M730-W746 VanDerWaalsContact SD-CZ3 3.57Å; L734-W746 HydrophobicContact CD1-CH2 4.34Å; L734-W746 HydrophobicContact CD1-CZ2 4.41Å; L734-W746 HydrophobicContact CD2-CH2 3.76Å; L734-W746 HydrophobicContact CD2-CZ3 4.18Å; L734-W746 HydrophobicContact CG-CH2 4.22Å; R744-W746 VanDerWaalsContact C-N 3.31Å; R744-W746 HydrophobicContact CG-CD2 3.56Å; R744-W746 VanDerWaalsContact CG-CE2 3.47Å; R744-W746 HydrophobicContact CG-CE3 3.87Å; R744-W746 HydrophobicContact CG-CG 4.1Å; R744-W746 HydrophobicContact CG-CH2 4.03Å; R744-W746 HydrophobicContact CG-CZ2 3.72Å; R744-W746 HydrophobicContact CG-CZ3 4.09Å; R744-W746 PolarHBondContact NE-O 3.16Å; W746-Y754 WeakPolarHBondContact CA-OH 3.23Å; W746-Y754 PolarHBondContact N-OH 3.38Å; W746-F776 HydrophobicContact CB-CE1 3.76Å; W746-F776 HydrophobicContact CB-CE2 4.37Å; W746-F776 HydrophobicContact CB-CZ 3.46Å; W746-F776 VanDerWaalsContact CB-CZ 3.46Å; W746-F776 AromaticContact CD1-CZ 3.99Å; W746-F776 HydrophobicContact CG-CE1 4.34Å; W746-F776 AromaticContact CG-CZ 3.79Å; W746-F776 HydrophobicContact CG-CZ 3.79Å; W746-H793 AromaticContact CH2-CE1 3.86Å; W746-H793 AromaticContact CZ2-CE1 3.97Å
747	P	96.1	Very high	93.9	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.019	33%	0.332	C	S	.	.			trans	-69.3	146.9	172.9	28.8	-36.2	0	0	0	112.1	L761	P747-L761 HydrophobicContact CG-CB 4.2Å
748	D	91.4	Very high	94.3	Very high	96 Å²	96	58.1 Å²	58.1	51%	0.513	31%	0.313	S	S	.	.	S	Bend	trans	-70.8	-42.4	168.7	-70.2	-40.4	0	0	0	111.4	R744 L761	R744-D748 IonicContact CZ-OD1 3.98Å; R744-D748 IonicContact CZ-OD2 2.71Å; R744-D748 IonicContact NE-OD1 2.73Å; R744-D748 PolarHBondContact NE-OD1 2.84Å; R744-D748 IonicContact NH1-OD1 3.65Å; R744-D748 PolarHBondContact NH1-OD1 3.11Å; R744-D748 IonicContact NH1-OD2 2.59Å; R744-D748 PolarHBondContact NH1-OD2 3.17Å; R744-D748 VanDerWaalsContact NH2-CG 3.33Å; R744-D748 IonicContact NH2-OD1 3.41Å; R744-D748 IonicContact NH2-OD2 2.85Å; R744-D748 PolarHBondContact NH2-OD2 2.93Å; D748-L761 WeakPolarHBondContact O-CD2 3.24Å
749	E	90.1	Very high	94.9	Very high	172 Å²	172	55 Å²	55	80%	0.804	28%	0.281	S	S	*	.	S	Bend	trans	-144.3	150.7	-178.6	-64.3	-177.7	-177	0	0	109.2	S751	E749-S751 PolarHBondContact O-N 2.71Å
750	G	93.4	Very high	95.3	Very high	49 Å²	49	50.3 Å²	50.3	51%	0.505	26%	0.26	S	S	.	.	S	Bend	trans	65.1	-128.5	175.7	0	0	0	0	0	113.5	N760 L761	G750-N760 CarbonylContact O-C 3.57Å; G750-N760 WeakPolarHBondContact O-CA 3.34Å; G750-L761 PolarHBondContact O-N 3.15Å
751	S	94.9	Very high	95.5	Very high	65 Å²	65	46.9 Å²	46.9	46%	0.455	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.3	-175.2	65.5	0	0	0	0	113.8	E749 V759 N760	E749-S751 PolarHBondContact O-N 2.71Å; S751-V759 CarbonylContact C-O 3.48Å; S751-V759 WeakPolarHBondContact CA-O 3.33Å; S751-N760 WeakPolarHBondContact CB-OD1 3.39Å
752	S	96.8	Very high	95.5	Very high	43 Å²	43	49.7 Å²	49.7	30%	0.301	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.6	166.8	-78.3	0	0	0	0	110.9	V759	S752-V759 PolarHBondContact N-O 3.31Å; S752-V759 PolarHBondContact O-N 3.24Å
753	L	96	Very high	95.4	Very high	110 Å²	110	52.1 Å²	52.1	58%	0.576	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.4	-177.5	179.5	63.4	0	0	0	110.8	E758 V781	L753-E758 HydrophobicContact CD1-CB 4.16Å; L753-V781 HydrophobicContact CD1-CG1 4.09Å
754	Y	94.6	Very high	95.3	Very high	41 Å²	41	55.7 Å²	55.7	16%	0.161	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	92.7	175.4	-55.1	-70.2	0	0	0	109.4	I713 W717 Y745 W746 I756 Y757 V759	I713-Y754 HydrophobicContact CG2-CD1 3.36Å; I713-Y754 HydrophobicContact CG2-CD2 4.46Å; I713-Y754 HydrophobicContact CG2-CE1 3.69Å; I713-Y754 HydrophobicContact CG2-CG 3.78Å; W717-Y754 AromaticContact CD1-CD2 3.45Å; W717-Y754 VanDerWaalsContact CD1-CD2 3.45Å; W717-Y754 AromaticContact CD1-CG 3.69Å; W717-Y754 HydrophobicContact CG-CD2 4.38Å; W717-Y754 AromaticContact NE1-CD2 3.31Å; W717-Y754 VanDerWaalsContact NE1-CD2 3.31Å; W717-Y754 AromaticContact NE1-CE2 3.56Å; W717-Y754 AromaticContact NE1-CG 3.9Å; Y745-Y754 VanDerWaalsContact O-CE2 3.29Å; Y745-Y754 WeakPolarHBondContact O-CE2 3.39Å; Y745-Y754 VanDerWaalsContact O-CZ 3.3Å; Y745-Y754 PolarHBondContact O-OH 3.19Å; W746-Y754 WeakPolarHBondContact CA-OH 3.23Å; W746-Y754 PolarHBondContact N-OH 3.38Å; Y754-I756 PolarHBondContact O-N 3.47Å; Y754-Y757 PolarHBondContact N-O 3.31Å; Y754-Y757 WeakPolarHBondContact O-CB 3.32Å; Y754-Y757 PolarHBondContact O-N 3.45Å; Y754-V759 HydrophobicContact CD2-CB 4.17Å; Y754-V759 HydrophobicContact CD2-CG2 3.8Å; Y754-V759 HydrophobicContact CE2-CB 4.01Å; Y754-V759 HydrophobicContact CE2-CG2 4.08Å
755	H	92.3	Very high	95.1	Very high	89 Å²	89	54.9 Å²	54.9	41%	0.412	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-91.4	-169.3	-178.7	50.1	0	0	0	113.4	P681	P681-H755 HydrophobicContact CG-CB 3.99Å
756	I	93.6	Very high	94.9	Very high	8 Å²	8	60 Å²	60	4%	0.041	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	1.2	178.3	62	173.2	0	0	0	112.5	Y754 N780 V781 Q782	Y754-I756 PolarHBondContact O-N 3.47Å; I756-N780 WeakPolarHBondContact O-CA 3.44Å; I756-V781 HydrophobicContact CB-CG2 4.16Å; I756-V781 PolarHBondContact O-N 3.33Å; I756-Q782 HydrophobicContact CB-CG 4.23Å; I756-Q782 HydrophobicContact CD1-CG 4.46Å; I756-Q782 HydrophobicContact CG2-CG 3.83Å
757	Y	95.8	Very high	94.3	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	98.1	-177.3	-59.8	-63.8	0	0	0	109.5	W717 Q718 S721 Y754 L778 K779 N780	W717-Y757 HydrophobicContact CB-CD2 3.82Å; W717-Y757 HydrophobicContact CB-CG 3.91Å; Q718-Y757 HydrophobicContact CB-CE2 3.84Å; Q718-Y757 HydrophobicContact CG-CE2 4.35Å; S721-Y757 VanDerWaalsContact CB-CE1 3.47Å; Y754-Y757 PolarHBondContact N-O 3.31Å; Y754-Y757 WeakPolarHBondContact O-CB 3.32Å; Y754-Y757 PolarHBondContact O-N 3.45Å; Y757-L778 HydrophobicContact CD1-CD1 4.07Å; Y757-L778 HydrophobicContact CG-CD1 4.33Å; Y757-K779 WeakPolarHBondContact CA-O 3.31Å; Y757-N780 HydrophobicContact CE1-CB 4.4Å
758	E	96.8	Very high	94	Very high	54 Å²	54	66.4 Å²	66.4	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.7	168.5	173.2	174.2	-140.3	0	0	108	L753 N760 K779 V781	L753-E758 HydrophobicContact CD1-CB 4.16Å; E758-N760 VanDerWaalsContact CG-OD1 3.28Å; E758-N760 WeakPolarHBondContact CG-OD1 3.33Å; E758-K779 HydrophobicContact CB-CB 4.25Å; E758-K779 PolarHBondContact N-O 3.4Å; E758-K779 PolarHBondContact O-N 3.08Å; E758-V781 HydrophobicContact CB-CG1 3.82Å
759	V	97.7	Very high	93.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.4	-178.5	176.5	0	0	0	0	108.2	W717 S751 S752 Y754 F776 L778	W717-V759 HydrophobicContact CD2-CG2 3.76Å; W717-V759 HydrophobicContact CE3-CG2 4.03Å; W717-V759 HydrophobicContact CG-CG2 4.28Å; W717-V759 HydrophobicContact CH2-CG1 3.84Å; W717-V759 HydrophobicContact CH2-CG2 4.12Å; W717-V759 HydrophobicContact CZ2-CB 4.36Å; W717-V759 HydrophobicContact CZ2-CG1 3.75Å; W717-V759 HydrophobicContact CZ2-CG2 3.83Å; W717-V759 HydrophobicContact CZ3-CG2 4.21Å; S751-V759 CarbonylContact C-O 3.48Å; S751-V759 WeakPolarHBondContact CA-O 3.33Å; S752-V759 PolarHBondContact N-O 3.31Å; S752-V759 PolarHBondContact O-N 3.24Å; Y754-V759 HydrophobicContact CD2-CB 4.17Å; Y754-V759 HydrophobicContact CD2-CG2 3.8Å; Y754-V759 HydrophobicContact CE2-CB 4.01Å; Y754-V759 HydrophobicContact CE2-CG2 4.08Å; V759-F776 HydrophobicContact CG1-CB 4.34Å; V759-F776 HydrophobicContact CG1-CD1 3.77Å; V759-F776 HydrophobicContact CG1-CE1 4.35Å; V759-F776 HydrophobicContact CG1-CG 4.16Å; V759-L778 HydrophobicContact CG2-CD1 3.78Å
760	N	97.4	Very high	93.9	Very high	40 Å²	40	63 Å²	63	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.7	-178.1	-54.1	-10.3	0	0	0	109.4	G750 S751 E758 V762 F776 Y777	G750-N760 CarbonylContact O-C 3.57Å; G750-N760 WeakPolarHBondContact O-CA 3.34Å; S751-N760 WeakPolarHBondContact CB-OD1 3.39Å; E758-N760 VanDerWaalsContact CG-OD1 3.28Å; E758-N760 WeakPolarHBondContact CG-OD1 3.33Å; N760-V762 PolarHBondContact O-N 2.98Å; N760-F776 CarbonylContact O-C 3.57Å; N760-F776 VanDerWaalsContact O-CA 3.27Å; N760-F776 WeakPolarHBondContact O-CA 3.35Å; N760-Y777 PolarHBondContact N-O 2.86Å; N760-Y777 PolarHBondContact O-N 3.29Å
761	L	97.2	Very high	94	Very high	34 Å²	34	60.9 Å²	60.9	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.1	169.7	-178.6	65	0	0	0	108.8	P747 D748 G750 S763 R774 F776	P747-L761 HydrophobicContact CG-CB 4.2Å; D748-L761 WeakPolarHBondContact O-CD2 3.24Å; G750-L761 PolarHBondContact O-N 3.15Å; L761-S763 WeakPolarHBondContact CD1-O 3.5Å; L761-R774 HydrophobicContact CD1-CB 3.9Å; L761-R774 HydrophobicContact CD1-CG 4.13Å; L761-F776 HydrophobicContact CB-CD1 4.37Å; L761-F776 HydrophobicContact CB-CE1 4.18Å; L761-F776 HydrophobicContact CD1-CD1 4.07Å; L761-F776 HydrophobicContact CD1-CE1 3.63Å; L761-F776 HydrophobicContact CD1-CZ 4.23Å; L761-F776 HydrophobicContact CG-CE1 4.5Å
762	V	95.9	Very high	94.1	Very high	100 Å²	100	58.3 Å²	58.3	61%	0.606	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	-37.3	179.2	-177.1	0	0	0	0	110.7	N760 S775	N760-V762 PolarHBondContact O-N 2.98Å; V762-S775 WeakPolarHBondContact CB-O 3.27Å; V762-S775 PolarHBondContact N-O 3.16Å
763	S	94.6	Very high	94	Very high	52 Å²	52	56.6 Å²	56.6	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	149.1	174.3	60.3	0	0	0	0	112.2	L761 R774 S775	L761-S763 WeakPolarHBondContact CD1-O 3.5Å; S763-R774 CarbonylContact O-C 3.52Å; S763-R774 VanDerWaalsContact O-CA 3.28Å; S763-R774 WeakPolarHBondContact O-CA 3.47Å; S763-S775 PolarHBondContact N-O 2.85Å; S763-S775 PolarHBondContact O-N 3.38Å; S763-S775 WeakPolarHBondContact OG-CB 3.49Å; S763-S775 PolarHBondContact OG-OG 3.5Å
764	E	95.6	Very high	94.1	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133	161.7	-179.2	175.4	94.9	0	0	108.4	L772 R774	E764-L772 HydrophobicContact CG-CD1 4.36Å; E764-R774 HydrophobicContact CB-CG 4.24Å; E764-R774 HydrophobicContact CG-CG 4.07Å; E764-R774 IonicContact OE2-CZ 2.67Å; E764-R774 IonicContact OE2-NE 2.82Å; E764-R774 PolarHBondContact OE2-NE 2.88Å; E764-R774 IonicContact OE2-NH2 3.93Å; E764-R774 PolarHBondContact OE2-NH2 3.42Å
765	H	92.9	Very high	94.1	Very high	93 Å²	93	52.1 Å²	52.1	43%	0.431	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	107.2	177.7	-175.7	-160.2	0	0	0	109.8	W767 L772 V773	H765-W767 AromaticContact CE1-CD2 3.61Å; H765-W767 AromaticContact CE1-CE2 3.55Å; H765-W767 AromaticContact CE1-CE3 3.78Å; H765-W767 AromaticContact CE1-CH2 3.99Å; H765-W767 AromaticContact CE1-CZ2 3.78Å; H765-W767 AromaticContact CE1-CZ3 3.98Å; H765-W767 AromaticContact ND1-CD1 3.98Å; H765-W767 AromaticContact ND1-CD2 3.83Å; H765-W767 AromaticContact ND1-CE2 3.38Å; H765-W767 AromaticContact ND1-CZ2 3.71Å; H765-W767 AromaticContact ND1-NE1 3.45Å; H765-W767 PolarHBondContact ND1-NE1 2.88Å; H765-W767 PolarHBondContact O-N 3.32Å; H765-L772 WeakPolarHBondContact O-CA 3.36Å; H765-V773 PolarHBondContact N-O 2.97Å; H765-V773 PolarHBondContact O-N 3.35Å
766	I	92.6	Very high	94.4	Very high	109 Å²	109	48 Å²	48	56%	0.559	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	106.1	173.7	-55.7	172.5	0	0	0	107.8	C768 L772	I766-C768 WeakPolarHBondContact CG2-O 3.37Å; I766-L772 HydrophobicContact CB-CB 4.48Å; I766-L772 HydrophobicContact CG1-CB 4.21Å; I766-L772 HydrophobicContact CG1-CD2 4.46Å
767	W	85.3	Confident	94.5	Very high	101 Å²	101	51.8 Å²	51.8	38%	0.383	27%	0.266	S	S	.	.			trans	-82.9	-33.9	-176.9	-78.3	94.6	0	0	0	113.1	H765 F771 K815	H765-W767 AromaticContact CE1-CD2 3.61Å; H765-W767 AromaticContact CE1-CE2 3.55Å; H765-W767 AromaticContact CE1-CE3 3.78Å; H765-W767 AromaticContact CE1-CH2 3.99Å; H765-W767 AromaticContact CE1-CZ2 3.78Å; H765-W767 AromaticContact CE1-CZ3 3.98Å; H765-W767 AromaticContact ND1-CD1 3.98Å; H765-W767 AromaticContact ND1-CD2 3.83Å; H765-W767 AromaticContact ND1-CE2 3.38Å; H765-W767 AromaticContact ND1-CZ2 3.71Å; H765-W767 AromaticContact ND1-NE1 3.45Å; H765-W767 PolarHBondContact ND1-NE1 2.88Å; H765-W767 PolarHBondContact O-N 3.32Å; W767-F771 HydrophobicContact CB-CD2 4.01Å; W767-F771 HydrophobicContact CB-CE2 3.59Å; W767-F771 HydrophobicContact CB-CZ 4.28Å; W767-F771 AromaticContact CD1-CE2 4Å; W767-F771 HydrophobicContact CG-CD2 4.39Å; W767-F771 AromaticContact CG-CE2 3.84Å; W767-F771 HydrophobicContact CG-CE2 3.84Å; W767-F771 PolarHBondContact N-O 3.41Å; W767-K815 HydrophobicContact CD2-CD 4.34Å; W767-K815 HydrophobicContact CZ2-CD 4.49Å
768	C	89.4	Confident	94.5	Very high	43 Å²	43	51.8 Å²	51.8	29%	0.291	27%	0.267	S	S	.	.	S	Bend	trans	-162.1	-178.8	179.7	60.7	0	0	0	0	108.5	I766 D770 F771	I766-C768 WeakPolarHBondContact CG2-O 3.37Å; C768-D770 PolarHBondContact O-N 3.5Å; C768-D770 PolarHBondContact SG-N 2.77Å; C768-F771 PolarHBondContact N-O 3.32Å; C768-F771 WeakPolarHBondContact SG-CD1 3.23Å; C768-F771 VanDerWaalsContact SG-CE1 3.57Å; C768-F771 PolarHBondContact SG-N 2.94Å; C768-F771 VanDerWaalsContact SG-N 3.43Å
769	N	87.9	Confident	94.4	Very high	148 Å²	148	51.6 Å²	51.6	79%	0.791	27%	0.265	S	S	*	.	S	Bend	trans	-67.7	-24.9	174.9	-60.9	-22.6	0	0	0	112.1
770	D	91.9	Very high	94.3	Very high	47 Å²	47	52.3 Å²	52.3	25%	0.251	27%	0.269	S	S	.	.	S	Bend	trans	-85.6	-24	-171.5	-50.6	-82.5	0	0	0	114.1	C768 F794 L795 S796 P808	C768-D770 PolarHBondContact O-N 3.5Å; C768-D770 PolarHBondContact SG-N 2.77Å; D770-F794 HydrophobicContact CB-CE2 4.45Å; D770-L795 PolarHBondContact O-N 3.2Å; D770-S796 WeakPolarHBondContact CA-OG 3.49Å; D770-S796 PolarHBondContact O-N 2.9Å; D770-S796 VanDerWaalsContact OD1-CB 3.23Å; D770-S796 WeakPolarHBondContact OD1-CB 3.25Å; D770-S796 PolarHBondContact OD1-OG 3.49Å; D770-P808 HydrophobicContact CB-CB 3.86Å
771	F	94.8	Very high	94.1	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.022	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	155.4	176	64.7	-97.1	0	0	0	114.4	W767 C768 H793 F794 F812 K815	W767-F771 HydrophobicContact CB-CD2 4.01Å; W767-F771 HydrophobicContact CB-CE2 3.59Å; W767-F771 HydrophobicContact CB-CZ 4.28Å; W767-F771 AromaticContact CD1-CE2 4Å; W767-F771 HydrophobicContact CG-CD2 4.39Å; W767-F771 AromaticContact CG-CE2 3.84Å; W767-F771 HydrophobicContact CG-CE2 3.84Å; W767-F771 PolarHBondContact N-O 3.41Å; C768-F771 PolarHBondContact N-O 3.32Å; C768-F771 WeakPolarHBondContact SG-CD1 3.23Å; C768-F771 VanDerWaalsContact SG-CE1 3.57Å; C768-F771 PolarHBondContact SG-N 2.94Å; C768-F771 VanDerWaalsContact SG-N 3.43Å; F771-H793 WeakPolarHBondContact CA-O 3.46Å; F771-H793 VanDerWaalsContact CB-O 3.26Å; F771-H793 WeakPolarHBondContact CB-O 3.48Å; F771-F794 HydrophobicContact CB-CD2 4.17Å; F771-F794 HydrophobicContact CD1-CD2 4.43Å; F771-F812 HydrophobicContact CB-CD2 3.62Å; F771-F812 HydrophobicContact CB-CE2 4.03Å; F771-F812 HydrophobicContact CD1-CB 3.86Å; F771-F812 AromaticContact CD1-CD2 3.97Å; F771-F812 HydrophobicContact CD1-CD2 3.97Å; F771-F812 HydrophobicContact CD1-CG 4.41Å; F771-F812 AromaticContact CD2-CD2 3.97Å; F771-F812 HydrophobicContact CD2-CD2 3.97Å; F771-F812 HydrophobicContact CE1-CB 3.92Å; F771-F812 HydrophobicContact CG-CB 4.36Å; F771-F812 AromaticContact CG-CD2 3.61Å; F771-F812 HydrophobicContact CG-CD2 3.61Å; F771-F812 HydrophobicContact CG-CE2 4.43Å; F771-F812 HydrophobicContact CG-CG 4.47Å; F771-F812 HydrophobicContact CZ-CB 4.47Å; F771-K815 HydrophobicContact CE2-CD 3.67Å; F771-K815 HydrophobicContact CZ-CD 3.73Å
772	L	95.9	Very high	93.9	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	165.7	170.8	61.9	82.1	0	0	0	110.9	E764 H765 I766 R774 H793 L795	E764-L772 HydrophobicContact CG-CD1 4.36Å; H765-L772 WeakPolarHBondContact O-CA 3.36Å; I766-L772 HydrophobicContact CB-CB 4.48Å; I766-L772 HydrophobicContact CG1-CB 4.21Å; I766-L772 HydrophobicContact CG1-CD2 4.46Å; L772-R774 HydrophobicContact CD1-CG 3.93Å; L772-R774 VanDerWaalsContact CD1-CZ 3.48Å; L772-H793 HydrophobicContact CD1-CB 3.7Å; L772-H793 HydrophobicContact CG-CB 4.12Å; L772-H793 PolarHBondContact N-O 2.84Å; L772-H793 PolarHBondContact O-N 2.94Å; L772-L795 HydrophobicContact CD2-CD1 4.29Å
773	V	96.6	Very high	93.7	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.7	176.3	178.7	0	0	0	0	109.6	H765 T790 Q791 F792	H765-V773 PolarHBondContact N-O 2.97Å; H765-V773 PolarHBondContact O-N 3.35Å; V773-T790 HydrophobicContact CG1-CG2 3.45Å; V773-T790 VanDerWaalsContact CG1-CG2 3.45Å; V773-Q791 CarbonylContact C-O 3.54Å; V773-Q791 WeakPolarHBondContact CA-O 3.48Å; V773-F792 HydrophobicContact CG1-CD1 4.4Å; V773-F792 HydrophobicContact CG1-CE1 4.21Å; V773-F792 HydrophobicContact CG1-CZ 4.38Å; V773-F792 HydrophobicContact CG2-CD1 3.45Å; V773-F792 VanDerWaalsContact CG2-CD1 3.45Å; V773-F792 HydrophobicContact CG2-CE1 3.63Å; V773-F792 HydrophobicContact CG2-CG 4.24Å
774	R	96.9	Very high	93.7	Very high	16 Å²	16	59.2 Å²	59.2	6%	0.06	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.4	172.7	-60.8	-174.7	-177.1	92.8	9.3	110.9	L761 S763 E764 L772 F776 T790 Q791 H793	L761-R774 HydrophobicContact CD1-CB 3.9Å; L761-R774 HydrophobicContact CD1-CG 4.13Å; S763-R774 CarbonylContact O-C 3.52Å; S763-R774 VanDerWaalsContact O-CA 3.28Å; S763-R774 WeakPolarHBondContact O-CA 3.47Å; E764-R774 HydrophobicContact CB-CG 4.24Å; E764-R774 HydrophobicContact CG-CG 4.07Å; E764-R774 IonicContact OE2-CZ 2.67Å; E764-R774 IonicContact OE2-NE 2.82Å; E764-R774 PolarHBondContact OE2-NE 2.88Å; E764-R774 IonicContact OE2-NH2 3.93Å; E764-R774 PolarHBondContact OE2-NH2 3.42Å; L772-R774 HydrophobicContact CD1-CG 3.93Å; L772-R774 VanDerWaalsContact CD1-CZ 3.48Å; R774-F776 HydrophobicContact CB-CD2 4.47Å; R774-F776 HydrophobicContact CB-CE2 3.85Å; R774-F776 HydrophobicContact CB-CZ 3.87Å; R774-F776 HydrophobicContact CG-CZ 4.41Å; R774-T790 CarbonylContact O-C 3.56Å; R774-T790 WeakPolarHBondContact O-CA 3.42Å; R774-Q791 HydrophobicContact CB-CB 4.34Å; R774-Q791 PolarHBondContact N-O 2.88Å; R774-Q791 PolarHBondContact O-N 3.43Å; R774-H793 PolarHBondContact NH1-ND1 3.26Å; R774-H793 VanDerWaalsContact NH1-ND1 3.19Å
775	S	95.9	Very high	93.5	Very high	41 Å²	41	59.2 Å²	59.2	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122	169.1	-44.9	0	0	0	0	108.8	V762 S763	V762-S775 WeakPolarHBondContact CB-O 3.27Å; V762-S775 PolarHBondContact N-O 3.16Å; S763-S775 PolarHBondContact N-O 2.85Å; S763-S775 PolarHBondContact O-N 3.38Å; S763-S775 WeakPolarHBondContact OG-CB 3.49Å; S763-S775 PolarHBondContact OG-OG 3.5Å
776	F	97.1	Very high	93.5	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.5	176.2	-64.4	-66.3	0	0	0	111.2	W717 W746 V759 N760 L761 R774 T788 L789 Q791	W717-F776 HydrophobicContact CH2-CD2 4.39Å; W746-F776 HydrophobicContact CB-CE1 3.76Å; W746-F776 HydrophobicContact CB-CE2 4.37Å; W746-F776 HydrophobicContact CB-CZ 3.46Å; W746-F776 VanDerWaalsContact CB-CZ 3.46Å; W746-F776 AromaticContact CD1-CZ 3.99Å; W746-F776 HydrophobicContact CG-CE1 4.34Å; W746-F776 AromaticContact CG-CZ 3.79Å; W746-F776 HydrophobicContact CG-CZ 3.79Å; V759-F776 HydrophobicContact CG1-CB 4.34Å; V759-F776 HydrophobicContact CG1-CD1 3.77Å; V759-F776 HydrophobicContact CG1-CE1 4.35Å; V759-F776 HydrophobicContact CG1-CG 4.16Å; N760-F776 CarbonylContact O-C 3.57Å; N760-F776 VanDerWaalsContact O-CA 3.27Å; N760-F776 WeakPolarHBondContact O-CA 3.35Å; L761-F776 HydrophobicContact CB-CD1 4.37Å; L761-F776 HydrophobicContact CB-CE1 4.18Å; L761-F776 HydrophobicContact CD1-CD1 4.07Å; L761-F776 HydrophobicContact CD1-CE1 3.63Å; L761-F776 HydrophobicContact CD1-CZ 4.23Å; L761-F776 HydrophobicContact CG-CE1 4.5Å; R774-F776 HydrophobicContact CB-CD2 4.47Å; R774-F776 HydrophobicContact CB-CE2 3.85Å; R774-F776 HydrophobicContact CB-CZ 3.87Å; R774-F776 HydrophobicContact CG-CZ 4.41Å; F776-T788 WeakPolarHBondContact O-CA 3.46Å; F776-L789 HydrophobicContact CB-CB 4.18Å; F776-L789 PolarHBondContact N-O 2.9Å; F776-L789 PolarHBondContact O-N 3.41Å; F776-Q791 HydrophobicContact CD2-CB 4.17Å; F776-Q791 HydrophobicContact CE2-CB 3.65Å; F776-Q791 HydrophobicContact CE2-CG 4.44Å
777	Y	96.4	Very high	93.5	Very high	88 Å²	88	55.3 Å²	55.3	35%	0.345	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.6	162.6	-173.6	-102.8	0	0	0	107.6	N760 T786 T788	N760-Y777 PolarHBondContact N-O 2.86Å; N760-Y777 PolarHBondContact O-N 3.29Å; Y777-T786 HydrophobicContact CE1-CG2 3.82Å; Y777-T786 VanDerWaalsContact CZ-CB 3.47Å; Y777-T786 VanDerWaalsContact OH-CB 3.26Å; Y777-T786 WeakPolarHBondContact OH-CB 3.43Å; Y777-T786 VanDerWaalsContact OH-CG2 3.29Å; Y777-T786 WeakPolarHBondContact OH-CG2 3.48Å; Y777-T786 PolarHBondContact OH-OG1 2.88Å; Y777-T788 HydrophobicContact CD2-CG2 4.29Å
778	L	95.6	Very high	93.8	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.1	176.9	172.8	65.6	0	0	0	108.6	W717 Y757 V759 T786 R787 L789	W717-L778 HydrophobicContact CE3-CD1 4.19Å; W717-L778 HydrophobicContact CE3-CD2 4.49Å; Y757-L778 HydrophobicContact CD1-CD1 4.07Å; Y757-L778 HydrophobicContact CG-CD1 4.33Å; V759-L778 HydrophobicContact CG2-CD1 3.78Å; L778-T786 CarbonylContact O-C 3.54Å; L778-T786 VanDerWaalsContact O-CA 3.29Å; L778-T786 WeakPolarHBondContact O-CA 3.37Å; L778-R787 PolarHBondContact N-O 3.08Å; L778-R787 PolarHBondContact O-N 3.24Å; L778-L789 HydrophobicContact CB-CD1 3.75Å; L778-L789 HydrophobicContact CD2-CD1 3.48Å; L778-L789 VanDerWaalsContact CD2-CD1 3.48Å; L778-L789 HydrophobicContact CG-CD1 4.25Å
779	K	95.3	Very high	94.1	Very high	50 Å²	50	53.4 Å²	53.4	22%	0.217	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	174.1	177.7	172.2	-178.2	-172.7	0	110.5	Y757 E758 V781 E785 T786	Y757-K779 WeakPolarHBondContact CA-O 3.31Å; E758-K779 HydrophobicContact CB-CB 4.25Å; E758-K779 PolarHBondContact N-O 3.4Å; E758-K779 PolarHBondContact O-N 3.08Å; K779-V781 PolarHBondContact O-N 3.48Å; K779-E785 WeakPolarHBondContact CA-O 3.49Å; K779-T786 HydrophobicContact CB-CG2 3.89Å; K779-T786 HydrophobicContact CD-CG2 4.07Å; K779-T786 HydrophobicContact CG-CG2 3.73Å
780	N	94.2	Very high	94.5	Very high	15 Å²	15	47.6 Å²	47.6	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.9	164.3	-177.8	-33.7	0	0	0	108.2	I756 Y757 Q782 T783 Q784 E785	I756-N780 WeakPolarHBondContact O-CA 3.44Å; Y757-N780 HydrophobicContact CE1-CB 4.4Å; N780-Q782 VanDerWaalsContact C-N 3.26Å; N780-Q782 PolarHBondContact O-N 3.32Å; N780-Q782 WeakPolarHBondContact OD1-CB 3.16Å; N780-Q782 PolarHBondContact OD1-N 2.99Å; N780-T783 WeakPolarHBondContact CB-OG1 3.46Å; N780-T783 VanDerWaalsContact CG-OG1 3.29Å; N780-T783 PolarHBondContact ND2-OG1 3.42Å; N780-T783 PolarHBondContact OD1-N 3.21Å; N780-T783 VanDerWaalsContact OD1-N 3.09Å; N780-Q784 WeakPolarHBondContact O-CA 3.41Å; N780-Q784 PolarHBondContact O-N 2.9Å; N780-E785 PolarHBondContact N-O 3.14Å
781	V	94.2	Very high	94.8	Very high	52 Å²	52	45.4 Å²	45.4	32%	0.315	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.3	-175.6	-51	0	0	0	0	113.5	L753 I756 E758 K779 Q784	L753-V781 HydrophobicContact CD1-CG1 4.09Å; I756-V781 HydrophobicContact CB-CG2 4.16Å; I756-V781 PolarHBondContact O-N 3.33Å; E758-V781 HydrophobicContact CB-CG1 3.82Å; K779-V781 PolarHBondContact O-N 3.48Å; V781-Q784 PolarHBondContact O-NE2 3.35Å
782	Q	91.9	Very high	94.9	Very high	130 Å²	130	45.2 Å²	45.2	61%	0.607	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-50.6	174.4	-68	-177.2	-21.6	0	0	111.9	I756 N780	I756-Q782 HydrophobicContact CB-CG 4.23Å; I756-Q782 HydrophobicContact CD1-CG 4.46Å; I756-Q782 HydrophobicContact CG2-CG 3.83Å; N780-Q782 VanDerWaalsContact C-N 3.26Å; N780-Q782 PolarHBondContact O-N 3.32Å; N780-Q782 WeakPolarHBondContact OD1-CB 3.16Å; N780-Q782 PolarHBondContact OD1-N 2.99Å
783	T	92.5	Very high	95	Very high	76 Å²	76	45.2 Å²	45.2	47%	0.466	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.3	-178.8	66	0	0	0	0	113.7	N780 E785	N780-T783 WeakPolarHBondContact CB-OG1 3.46Å; N780-T783 VanDerWaalsContact CG-OG1 3.29Å; N780-T783 PolarHBondContact ND2-OG1 3.42Å; N780-T783 PolarHBondContact OD1-N 3.21Å; N780-T783 VanDerWaalsContact OD1-N 3.09Å; T783-E785 PolarHBondContact O-N 3.38Å; T783-E785 VanDerWaalsContact O-N 3.16Å; T783-E785 WeakPolarHBondContact OG1-CB 3.35Å; T783-E785 WeakPolarHBondContact OG1-CG 3.48Å; T783-E785 PolarHBondContact OG1-N 2.96Å; T783-E785 PolarHBondContact OG1-OE1 3.36Å
784	Q	93.9	Very high	95	Very high	113 Å²	113	45 Å²	45	53%	0.528	23%	0.23	S	C	.	.			trans	58.2	12	-168.2	-57.7	-68	-58.5	0	0	114.2	N780 V781	N780-Q784 WeakPolarHBondContact O-CA 3.41Å; N780-Q784 PolarHBondContact O-N 2.9Å; V781-Q784 PolarHBondContact O-NE2 3.35Å
785	E	92.9	Very high	94.9	Very high	91 Å²	91	47.3 Å²	47.3	43%	0.425	24%	0.244	S	C	.	.			trans	-63.1	139.5	169.2	-75.3	179.3	-119.8	0	0	110.8	K779 N780 T783 R787	K779-E785 WeakPolarHBondContact CA-O 3.49Å; N780-E785 PolarHBondContact N-O 3.14Å; T783-E785 PolarHBondContact O-N 3.38Å; T783-E785 VanDerWaalsContact O-N 3.16Å; T783-E785 WeakPolarHBondContact OG1-CB 3.35Å; T783-E785 WeakPolarHBondContact OG1-CG 3.48Å; T783-E785 PolarHBondContact OG1-N 2.96Å; T783-E785 PolarHBondContact OG1-OE1 3.36Å; E785-R787 IonicContact OE2-CZ 2.7Å; E785-R787 IonicContact OE2-NE 3.82Å; E785-R787 IonicContact OE2-NH2 3.3Å; E785-R787 PolarHBondContact OE2-NH2 2.65Å
786	T	93.1	Very high	94.6	Very high	61 Å²	61	47.6 Å²	47.6	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.2	179.4	57.6	0	0	0	0	110.7	Y777 L778 K779	Y777-T786 HydrophobicContact CE1-CG2 3.82Å; Y777-T786 VanDerWaalsContact CZ-CB 3.47Å; Y777-T786 VanDerWaalsContact OH-CB 3.26Å; Y777-T786 WeakPolarHBondContact OH-CB 3.43Å; Y777-T786 VanDerWaalsContact OH-CG2 3.29Å; Y777-T786 WeakPolarHBondContact OH-CG2 3.48Å; Y777-T786 PolarHBondContact OH-OG1 2.88Å; L778-T786 CarbonylContact O-C 3.54Å; L778-T786 VanDerWaalsContact O-CA 3.29Å; L778-T786 WeakPolarHBondContact O-CA 3.37Å; K779-T786 HydrophobicContact CB-CG2 3.89Å; K779-T786 HydrophobicContact CD-CG2 4.07Å; K779-T786 HydrophobicContact CG-CG2 3.73Å
787	R	90.9	Very high	94.4	Very high	59 Å²	59	47.8 Å²	47.8	22%	0.223	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.6	-178.2	-55.9	-172.2	-161.6	157.3	16.5	110.4	S721 N724 L778 E785	S721-R787 PolarHBondContact O-NH1 3.31Å; S721-R787 PolarHBondContact O-NH2 3.41Å; N724-R787 PolarHBondContact OD1-NH1 3.42Å; L778-R787 PolarHBondContact N-O 3.08Å; L778-R787 PolarHBondContact O-N 3.24Å; E785-R787 IonicContact OE2-CZ 2.7Å; E785-R787 IonicContact OE2-NE 3.82Å; E785-R787 IonicContact OE2-NH2 3.3Å; E785-R787 PolarHBondContact OE2-NH2 2.65Å
788	T	93.2	Very high	94.1	Very high	102 Å²	102	46 Å²	46	63%	0.626	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	142	169.8	43.2	0	0	0	0	110.3	F776 Y777	F776-T788 WeakPolarHBondContact O-CA 3.46Å; Y777-T788 HydrophobicContact CD2-CG2 4.29Å
789	L	94.8	Very high	93.2	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129	-173.8	-104	146.1	0	0	0	110.3	W717 S720 C725 T726 I728 F776 L778	W717-L789 HydrophobicContact CZ3-CD1 4.38Å; S720-L789 WeakPolarHBondContact OG-CD1 3.41Å; S720-L789 WeakPolarHBondContact OG-CD2 3.47Å; C725-L789 WeakPolarHBondContact O-CD2 3.25Å; T726-L789 WeakPolarHBondContact O-CA 3.39Å; I728-L789 HydrophobicContact CD1-CD2 3.95Å; I728-L789 HydrophobicContact CG1-CD2 3.95Å; F776-L789 HydrophobicContact CB-CB 4.18Å; F776-L789 PolarHBondContact N-O 2.9Å; F776-L789 PolarHBondContact O-N 3.41Å; L778-L789 HydrophobicContact CB-CD1 3.75Å; L778-L789 HydrophobicContact CD2-CD1 3.48Å; L778-L789 VanDerWaalsContact CD2-CD1 3.48Å; L778-L789 HydrophobicContact CG-CD1 4.25Å
790	T	96.3	Very high	92.4	Very high	27 Å²	27	52.2 Å²	52.2	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.3	-179.7	-50.2	0	0	0	0	110.1	T726 V727 I728 V773 R774 F792	T726-T790 PolarHBondContact O-N 3.11Å; V727-T790 WeakPolarHBondContact CA-O 3.46Å; I728-T790 PolarHBondContact N-O 2.85Å; V773-T790 HydrophobicContact CG1-CG2 3.45Å; V773-T790 VanDerWaalsContact CG1-CG2 3.45Å; R774-T790 CarbonylContact O-C 3.56Å; R774-T790 WeakPolarHBondContact O-CA 3.42Å; T790-F792 HydrophobicContact CG2-CD2 3.95Å; T790-F792 HydrophobicContact CG2-CE2 3.35Å; T790-F792 HydrophobicContact CG2-CZ 3.75Å
791	Q	97.4	Very high	92	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.7	172.5	-177.6	-160.2	56.9	0	0	109.6	I728 Y745 V773 R774 F776	I728-Q791 HydrophobicContact CB-CB 4.35Å; I728-Q791 HydrophobicContact CB-CG 4.34Å; I728-Q791 HydrophobicContact CG2-CG 4.29Å; I728-Q791 CarbonylContact O-C 3.55Å; I728-Q791 WeakPolarHBondContact O-CA 3.38Å; Y745-Q791 VanDerWaalsContact CZ-NE2 3.32Å; Y745-Q791 PolarHBondContact OH-NE2 3.26Å; V773-Q791 CarbonylContact C-O 3.54Å; V773-Q791 WeakPolarHBondContact CA-O 3.48Å; R774-Q791 HydrophobicContact CB-CB 4.34Å; R774-Q791 PolarHBondContact N-O 2.88Å; R774-Q791 PolarHBondContact O-N 3.43Å; F776-Q791 HydrophobicContact CD2-CB 4.17Å; F776-Q791 HydrophobicContact CE2-CB 3.65Å; F776-Q791 HydrophobicContact CE2-CG 4.44Å
792	F	98.1	Very high	92	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	169.3	-68.2	-96.8	0	0	0	108.4	V727 I728 M730 V773 T790 F812 K815 V816 C819	V727-F792 HydrophobicContact CG1-CD2 3.83Å; V727-F792 HydrophobicContact CG1-CE2 3.94Å; I728-F792 PolarHBondContact O-N 2.89Å; M730-F792 PolarHBondContact N-O 3.06Å; V773-F792 HydrophobicContact CG1-CD1 4.4Å; V773-F792 HydrophobicContact CG1-CE1 4.21Å; V773-F792 HydrophobicContact CG1-CZ 4.38Å; V773-F792 HydrophobicContact CG2-CD1 3.45Å; V773-F792 VanDerWaalsContact CG2-CD1 3.45Å; V773-F792 HydrophobicContact CG2-CE1 3.63Å; V773-F792 HydrophobicContact CG2-CG 4.24Å; T790-F792 HydrophobicContact CG2-CD2 3.95Å; T790-F792 HydrophobicContact CG2-CE2 3.35Å; T790-F792 HydrophobicContact CG2-CZ 3.75Å; F792-F812 HydrophobicContact CB-CE2 3.59Å; F792-F812 HydrophobicContact CB-CZ 3.62Å; F792-K815 HydrophobicContact CE1-CB 4.01Å; F792-V816 HydrophobicContact CB-CG2 3.86Å; F792-V816 HydrophobicContact CD1-CG2 3.73Å; F792-V816 HydrophobicContact CD2-CG2 3.97Å; F792-V816 HydrophobicContact CE1-CG2 4.27Å; F792-V816 HydrophobicContact CE2-CG2 4.46Å; F792-V816 HydrophobicContact CG-CG2 3.58Å; F792-C819 HydrophobicContact CE2-CB 3.83Å; F792-C819 HydrophobicContact CZ-CB 3.72Å
793	H	97.6	Very high	92.1	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.8	-173.6	-174.2	-172.1	0	0	0	110.3	M730 T732 A733 W746 F771 L772 R774	M730-H793 HydrophobicContact CB-CB 4.5Å; M730-H793 WeakPolarHBondContact CE-NE2 3.47Å; T732-H793 PolarHBondContact O-NE2 3.14Å; A733-H793 VanDerWaalsContact CA-NE2 3.3Å; A733-H793 WeakPolarHBondContact CA-NE2 3.25Å; A733-H793 PolarHBondContact N-NE2 3.07Å; W746-H793 AromaticContact CH2-CE1 3.86Å; W746-H793 AromaticContact CZ2-CE1 3.97Å; F771-H793 WeakPolarHBondContact CA-O 3.46Å; F771-H793 VanDerWaalsContact CB-O 3.26Å; F771-H793 WeakPolarHBondContact CB-O 3.48Å; L772-H793 HydrophobicContact CD1-CB 3.7Å; L772-H793 HydrophobicContact CG-CB 4.12Å; L772-H793 PolarHBondContact N-O 2.84Å; L772-H793 PolarHBondContact O-N 2.94Å; R774-H793 PolarHBondContact NH1-ND1 3.26Å; R774-H793 VanDerWaalsContact NH1-ND1 3.19Å
794	F	96.9	Very high	92	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.6	177.4	-167.2	-97	0	0	0	110.6	M730 M731 D770 F771 W797 P808 L809 F812	M730-F794 PolarHBondContact O-N 3.2Å; M731-F794 HydrophobicContact CE-CB 3.84Å; M731-F794 HydrophobicContact CE-CD1 3.84Å; M731-F794 HydrophobicContact CE-CG 3.89Å; M731-F794 HydrophobicContact SD-CB 3.96Å; D770-F794 HydrophobicContact CB-CE2 4.45Å; F771-F794 HydrophobicContact CB-CD2 4.17Å; F771-F794 HydrophobicContact CD1-CD2 4.43Å; F794-W797 HydrophobicContact CD1-CB 3.98Å; F794-W797 HydrophobicContact CD1-CE3 4.41Å; F794-W797 HydrophobicContact CE1-CB 3.95Å; F794-W797 HydrophobicContact CE1-CE3 4.27Å; F794-P808 HydrophobicContact CE2-CB 4.06Å; F794-P808 HydrophobicContact CZ-CB 4.24Å; F794-L809 HydrophobicContact CD2-CD1 4.46Å; F794-L809 HydrophobicContact CE2-CB 4.4Å; F794-L809 HydrophobicContact CE2-CD1 4.37Å; F794-L809 HydrophobicContact CZ-CB 4.33Å; F794-L809 HydrophobicContact CZ-CD1 4.45Å; F794-F812 HydrophobicContact CB-CD2 4.22Å; F794-F812 HydrophobicContact CB-CE1 4.26Å; F794-F812 HydrophobicContact CB-CE2 3.8Å; F794-F812 HydrophobicContact CB-CZ 3.83Å; F794-F812 HydrophobicContact CD2-CB 4.05Å; F794-F812 HydrophobicContact CD2-CD1 4.3Å; F794-F812 AromaticContact CD2-CD2 3.94Å; F794-F812 HydrophobicContact CD2-CD2 3.94Å; F794-F812 HydrophobicContact CD2-CE2 4.38Å; F794-F812 AromaticContact CD2-CG 3.87Å; F794-F812 HydrophobicContact CD2-CG 3.87Å; F794-F812 HydrophobicContact CE2-CB 4.38Å
795	L	93.7	Very high	91.9	Very high	65 Å²	65	48.4 Å²	48.4	34%	0.34	28%	0.281	S	S	.	.			trans	-107.3	-32.9	-170.2	-59.3	173.5	0	0	0	112.6	D770 L772 W797	D770-L795 PolarHBondContact O-N 3.2Å; L772-L795 HydrophobicContact CD2-CD1 4.29Å; L795-W797 VanDerWaalsContact C-N 3.25Å; L795-W797 PolarHBondContact O-N 3.24Å; L795-W797 VanDerWaalsContact O-N 3.16Å
796	S	90.6	Very high	92	Very high	46 Å²	46	44.2 Å²	44.2	32%	0.322	26%	0.262	S	S	.	.			trans	-82.1	21.5	-174	-72.3	0	0	0	0	115.3	D770	D770-S796 WeakPolarHBondContact CA-OG 3.49Å; D770-S796 PolarHBondContact O-N 2.9Å; D770-S796 VanDerWaalsContact OD1-CB 3.23Å; D770-S796 WeakPolarHBondContact OD1-CB 3.25Å; D770-S796 PolarHBondContact OD1-OG 3.49Å
797	W	93.6	Very high	92	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.019	27%	0.272	C	S	.	.			trans	-91.4	116.7	169.9	-154.6	-54.3	0	0	0	109.5	M731 F794 L795 G801 P803 L809 R837 T840 F883	M731-W797 HydrophobicContact CE-CE3 3.68Å; M731-W797 HydrophobicContact CE-CZ3 3.89Å; F794-W797 HydrophobicContact CD1-CB 3.98Å; F794-W797 HydrophobicContact CD1-CE3 4.41Å; F794-W797 HydrophobicContact CE1-CB 3.95Å; F794-W797 HydrophobicContact CE1-CE3 4.27Å; L795-W797 VanDerWaalsContact C-N 3.25Å; L795-W797 PolarHBondContact O-N 3.24Å; L795-W797 VanDerWaalsContact O-N 3.16Å; W797-G801 PolarHBondContact NE1-O 3.21Å; W797-P803 HydrophobicContact CD2-CG 3.85Å; W797-P803 HydrophobicContact CE3-CG 4.08Å; W797-P803 HydrophobicContact CG-CG 4.08Å; W797-L809 HydrophobicContact CH2-CD2 4.31Å; W797-L809 HydrophobicContact CZ3-CD1 4.21Å; W797-L809 HydrophobicContact CZ3-CD2 3.72Å; W797-R837 HydrophobicContact CD2-CB 4.23Å; W797-R837 HydrophobicContact CD2-CG 3.95Å; W797-R837 HydrophobicContact CE3-CB 4.39Å; W797-R837 HydrophobicContact CG-CG 4.14Å; W797-R837 HydrophobicContact CH2-CB 4.49Å; W797-R837 HydrophobicContact CZ2-CB 4.33Å; W797-R837 HydrophobicContact CZ2-CG 4.18Å; W797-T840 HydrophobicContact CH2-CG2 3.72Å; W797-T840 HydrophobicContact CZ2-CG2 4.23Å; W797-F883 HydrophobicContact CH2-CD1 4.21Å; W797-F883 AromaticContact CH2-CE1 3.85Å; W797-F883 HydrophobicContact CH2-CE1 3.85Å; W797-F883 HydrophobicContact CZ2-CD1 4.49Å; W797-F883 HydrophobicContact CZ2-CE1 4.37Å; W797-F883 HydrophobicContact CZ3-CE1 4.3Å
798	P	88.6	Confident	92.2	Very high	50 Å²	50	47.4 Å²	47.4	33%	0.325	27%	0.271	S	S	.	.			trans	-67.5	154.8	-177.2	28	-35.6	0	0	0	112.6	Q800 I802 R837	P798-Q800 WeakPolarHBondContact CG-O 3.45Å; P798-Q800 PolarHBondContact O-N 3Å; P798-I802 WeakPolarHBondContact CG-O 3.35Å; P798-R837 PolarHBondContact O-NH2 2.95Å; P798-R837 VanDerWaalsContact O-NH2 3.08Å
799	A	77.1	Confident	92.3	Very high	36 Å²	36	42.7 Å²	42.7	30%	0.298	24%	0.242	S	C	.	.	S	Bend	trans	-49.1	-47.3	173.8	0	0	0	0	0	111.9	E736 D737 R837	E736-A799 HydrophobicContact CB-CB 4.02Å; E736-A799 WeakPolarHBondContact OE2-CA 3.46Å; D737-A799 HydrophobicContact CB-CB 4.4Å; D737-A799 VanDerWaalsContact OD2-CB 3.25Å; D737-A799 WeakPolarHBondContact OD2-CB 3.31Å; A799-R837 PolarHBondContact O-NH2 3.05Å
800	Q	79.9	Confident	92.3	Very high	151 Å²	151	42.9 Å²	42.9	71%	0.706	24%	0.243	S	C	*	.	S	Bend	trans	-118.5	134.8	-174.5	-57.2	173.6	50.3	0	0	109.5	D737 P798	D737-Q800 PolarHBondContact OD2-NE2 2.78Å; P798-Q800 WeakPolarHBondContact CG-O 3.45Å; P798-Q800 PolarHBondContact O-N 3Å
801	G	85.9	Confident	92.2	Very high	33 Å²	33	44.9 Å²	44.9	34%	0.34	25%	0.253	S	S	.	.	S	Bend	trans	79.3	-137.4	179.7	0	0	0	0	0	114.7	W797	W797-G801 PolarHBondContact NE1-O 3.21Å
802	I	93.6	Very high	92.1	Very high	58 Å²	58	44.9 Å²	44.9	30%	0.297	25%	0.253	S	S	.	.			trans	-137.2	157.2	-167.9	53.8	170.7	0	0	0	111.6	P798 D879 Q880 F883	P798-I802 WeakPolarHBondContact CG-O 3.35Å; I802-D879 HydrophobicContact CD1-CB 4.34Å; I802-D879 HydrophobicContact CG2-CB 4.13Å; I802-Q880 HydrophobicContact CG2-CG 3.98Å; I802-F883 HydrophobicContact CB-CB 4.26Å; I802-F883 HydrophobicContact CB-CD2 4.13Å; I802-F883 HydrophobicContact CB-CG 4.16Å; I802-F883 HydrophobicContact CD1-CB 3.89Å; I802-F883 HydrophobicContact CD1-CD2 4.09Å; I802-F883 HydrophobicContact CD1-CG 4.34Å; I802-F883 HydrophobicContact CG2-CB 3.93Å; I802-F883 HydrophobicContact CG2-CG 4.2Å
803	P	93.6	Very high	92	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.078	26%	0.256	C	S	.	.			trans	-57.8	143.8	170.6	-22.3	33.6	0	0	0	112	W797 S805 F883	W797-P803 HydrophobicContact CD2-CG 3.85Å; W797-P803 HydrophobicContact CE3-CG 4.08Å; W797-P803 HydrophobicContact CG-CG 4.08Å; P803-S805 PolarHBondContact O-N 2.93Å; P803-F883 HydrophobicContact CB-CE2 3.98Å; P803-F883 HydrophobicContact CB-CZ 3.93Å; P803-F883 HydrophobicContact CG-CE1 4.31Å; P803-F883 HydrophobicContact CG-CE2 4.14Å; P803-F883 HydrophobicContact CG-CZ 3.7Å; P803-F883 WeakPolarHBondContact O-CE2 3.28Å
804	T	90.1	Very high	91.7	Very high	157 Å²	157	49.7 Å²	49.7	96%	0.963	27%	0.27	S	S	*	.	S	Bend	trans	-73.4	-6.6	-179.9	52.2	0	0	0	0	114.2
805	S	93.2	Very high	91.5	Very high	45 Å²	45	52.2 Å²	52.2	32%	0.315	28%	0.281	S	S	.	.			trans	-150.4	142.1	175.4	-177	0	0	0	0	109.4	P803 R807	P803-S805 PolarHBondContact O-N 2.93Å; S805-R807 PolarHBondContact OG-N 3.4Å
806	T	94.9	Very high	91.5	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.025	27%	0.266	C	S	.	.	S	Bend	trans	-76	-26.7	177.1	71.1	0	0	0	0	112.1	L809 L810 F883 T886 A887 E890	T806-L809 WeakPolarHBondContact O-CA 3.47Å; T806-L809 VanDerWaalsContact O-CB 3.3Å; T806-L809 WeakPolarHBondContact O-CB 3.22Å; T806-L809 PolarHBondContact O-N 3.36Å; T806-L810 PolarHBondContact O-N 3.44Å; T806-F883 HydrophobicContact CG2-CD2 4.25Å; T806-F883 HydrophobicContact CG2-CE2 3.88Å; T806-F883 HydrophobicContact CG2-CZ 4.39Å; T806-T886 HydrophobicContact CG2-CG2 3.9Å; T806-A887 HydrophobicContact CG2-CB 3.85Å; T806-E890 WeakPolarHBondContact CG2-OE1 3.48Å; T806-E890 PolarHBondContact OG1-OE1 3.22Å
807	R	92.9	Very high	91.5	Very high	156 Å²	156	49.4 Å²	49.4	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-58.5	-43.8	-166.7	-57.6	179.2	-169.9	167.5	3.5	114.6	S805 L809 L810 D811 E890	S805-R807 PolarHBondContact OG-N 3.4Å; R807-L809 PolarHBondContact O-N 3Å; R807-L810 PolarHBondContact O-N 3.23Å; R807-L810 VanDerWaalsContact O-N 3.14Å; R807-D811 PolarHBondContact O-N 3.34Å; R807-E890 IonicContact CZ-OE2 2.93Å; R807-E890 IonicContact NE-OE2 2.61Å; R807-E890 PolarHBondContact NE-OE2 3.34Å; R807-E890 IonicContact NH2-OE2 2.78Å
808	P	94.6	Very high	91.2	Very high	31 Å²	31	53.3 Å²	53.3	20%	0.201	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-32.7	176.7	-22.2	34.4	0	0	0	112.5	D770 F794 F812	D770-P808 HydrophobicContact CB-CB 3.86Å; F794-P808 HydrophobicContact CE2-CB 4.06Å; F794-P808 HydrophobicContact CZ-CB 4.24Å; P808-F812 WeakPolarHBondContact O-CB 3.47Å; P808-F812 PolarHBondContact O-N 2.97Å
809	L	95.8	Very high	91.1	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-74.3	-36.9	176.8	-174.2	65.4	0	0	0	112	M731 F794 W797 T806 R807 F812 R813 Y841 I844 F883	M731-L809 HydrophobicContact CE-CD1 3.43Å; M731-L809 VanDerWaalsContact CE-CD1 3.43Å; F794-L809 HydrophobicContact CD2-CD1 4.46Å; F794-L809 HydrophobicContact CE2-CB 4.4Å; F794-L809 HydrophobicContact CE2-CD1 4.37Å; F794-L809 HydrophobicContact CZ-CB 4.33Å; F794-L809 HydrophobicContact CZ-CD1 4.45Å; W797-L809 HydrophobicContact CH2-CD2 4.31Å; W797-L809 HydrophobicContact CZ3-CD1 4.21Å; W797-L809 HydrophobicContact CZ3-CD2 3.72Å; T806-L809 WeakPolarHBondContact O-CA 3.47Å; T806-L809 VanDerWaalsContact O-CB 3.3Å; T806-L809 WeakPolarHBondContact O-CB 3.22Å; T806-L809 PolarHBondContact O-N 3.36Å; R807-L809 PolarHBondContact O-N 3Å; L809-F812 HydrophobicContact CD1-CD1 4.23Å; L809-R813 VanDerWaalsContact O-CB 3.29Å; L809-R813 WeakPolarHBondContact O-CB 3.49Å; L809-R813 PolarHBondContact O-N 3.49Å; L809-Y841 HydrophobicContact CD1-CD2 4.07Å; L809-I844 HydrophobicContact CD2-CD1 3.87Å; L809-F883 HydrophobicContact CD2-CE1 3.57Å; L809-F883 HydrophobicContact CD2-CZ 3.97Å
810	L	94.9	Very high	90.9	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-44.4	174.7	-64.7	176.5	0	0	0	111.3	T806 R807 F812 R813 R814 I844 L848 A887 E890 E891	T806-L810 PolarHBondContact O-N 3.44Å; R807-L810 PolarHBondContact O-N 3.23Å; R807-L810 VanDerWaalsContact O-N 3.14Å; L810-F812 VanDerWaalsContact C-N 3.33Å; L810-F812 PolarHBondContact O-N 3.5Å; L810-R813 WeakPolarHBondContact O-CB 3.46Å; L810-R813 PolarHBondContact O-N 3.41Å; L810-R814 WeakPolarHBondContact O-CB 3.48Å; L810-R814 WeakPolarHBondContact O-CD 3.49Å; L810-R814 WeakPolarHBondContact O-CG 3.07Å; L810-R814 PolarHBondContact O-N 3.46Å; L810-I844 HydrophobicContact CD2-CG2 4.43Å; L810-L848 HydrophobicContact CD2-CD1 4.34Å; L810-A887 HydrophobicContact CD2-CB 4.34Å; L810-E890 HydrophobicContact CD1-CB 4.03Å; L810-E891 HydrophobicContact CD1-CB 4.11Å; L810-E891 HydrophobicContact CD2-CB 3.99Å; L810-E891 HydrophobicContact CD2-CG 4.43Å
811	D	93.1	Very high	90.7	Very high	70 Å²	70	57.9 Å²	57.9	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-33.9	174.9	-73.9	-35.6	0	0	0	113.1	R807 R814 K815	R807-D811 PolarHBondContact O-N 3.34Å; D811-R814 IonicContact OD1-CZ 2.71Å; D811-R814 IonicContact OD1-NH1 3.92Å; D811-R814 PolarHBondContact OD1-NH1 2.99Å; D811-K815 WeakPolarHBondContact O-CG 3.39Å; D811-K815 PolarHBondContact O-N 3.07Å
812	F	95.6	Very high	89.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-52.5	168.3	174.4	-97.4	0	0	0	111.5	V729 M731 F771 F792 F794 P808 L809 L810 R814 K815 V816 Y841	V729-F812 HydrophobicContact CG1-CE1 3.79Å; V729-F812 HydrophobicContact CG1-CZ 3.97Å; M731-F812 HydrophobicContact CE-CE1 4.39Å; M731-F812 HydrophobicContact SD-CE1 3.66Å; M731-F812 HydrophobicContact SD-CZ 4.01Å; F771-F812 HydrophobicContact CB-CD2 3.62Å; F771-F812 HydrophobicContact CB-CE2 4.03Å; F771-F812 HydrophobicContact CD1-CB 3.86Å; F771-F812 AromaticContact CD1-CD2 3.97Å; F771-F812 HydrophobicContact CD1-CD2 3.97Å; F771-F812 HydrophobicContact CD1-CG 4.41Å; F771-F812 AromaticContact CD2-CD2 3.97Å; F771-F812 HydrophobicContact CD2-CD2 3.97Å; F771-F812 HydrophobicContact CE1-CB 3.92Å; F771-F812 HydrophobicContact CG-CB 4.36Å; F771-F812 AromaticContact CG-CD2 3.61Å; F771-F812 HydrophobicContact CG-CD2 3.61Å; F771-F812 HydrophobicContact CG-CE2 4.43Å; F771-F812 HydrophobicContact CG-CG 4.47Å; F771-F812 HydrophobicContact CZ-CB 4.47Å; F792-F812 HydrophobicContact CB-CE2 3.59Å; F792-F812 HydrophobicContact CB-CZ 3.62Å; F794-F812 HydrophobicContact CB-CD2 4.22Å; F794-F812 HydrophobicContact CB-CE1 4.26Å; F794-F812 HydrophobicContact CB-CE2 3.8Å; F794-F812 HydrophobicContact CB-CZ 3.83Å; F794-F812 HydrophobicContact CD2-CB 4.05Å; F794-F812 HydrophobicContact CD2-CD1 4.3Å; F794-F812 AromaticContact CD2-CD2 3.94Å; F794-F812 HydrophobicContact CD2-CD2 3.94Å; F794-F812 HydrophobicContact CD2-CE2 4.38Å; F794-F812 AromaticContact CD2-CG 3.87Å; F794-F812 HydrophobicContact CD2-CG 3.87Å; F794-F812 HydrophobicContact CE2-CB 4.38Å; P808-F812 WeakPolarHBondContact O-CB 3.47Å; P808-F812 PolarHBondContact O-N 2.97Å; L809-F812 HydrophobicContact CD1-CD1 4.23Å; L810-F812 VanDerWaalsContact C-N 3.33Å; L810-F812 PolarHBondContact O-N 3.5Å; F812-R814 PolarHBondContact O-N 3.16Å; F812-K815 PolarHBondContact O-N 3.17Å; F812-V816 HydrophobicContact CD1-CG2 4.29Å; F812-V816 HydrophobicContact CE1-CG2 4.07Å; F812-V816 HydrophobicContact CZ-CG2 4.36Å; F812-V816 PolarHBondContact O-N 2.96Å; F812-Y841 HydrophobicContact CD1-CE2 4.01Å; F812-Y841 HydrophobicContact CE1-CD2 4.48Å; F812-Y841 AromaticContact CE1-CE2 3.93Å; F812-Y841 HydrophobicContact CE1-CE2 3.93Å
813	R	95.3	Very high	88.3	Confident	20 Å²	20	65.9 Å²	65.9	8%	0.075	30%	0.301	C	S	.	.	H	α-helix	trans	-55.9	-45.9	177.2	-179.6	-164.1	170	-105.6	-10.3	112	L809 L810 K815 V816 N817 Y841 D845 L848 N849 E891	L809-R813 VanDerWaalsContact O-CB 3.29Å; L809-R813 WeakPolarHBondContact O-CB 3.49Å; L809-R813 PolarHBondContact O-N 3.49Å; L810-R813 WeakPolarHBondContact O-CB 3.46Å; L810-R813 PolarHBondContact O-N 3.41Å; R813-K815 PolarHBondContact O-N 3.37Å; R813-V816 WeakPolarHBondContact O-CB 3.43Å; R813-V816 PolarHBondContact O-N 3.27Å; R813-V816 VanDerWaalsContact O-N 3.13Å; R813-N817 PolarHBondContact NH2-ND2 2.99Å; R813-N817 PolarHBondContact O-N 3.18Å; R813-Y841 HydrophobicContact CB-CE2 4.29Å; R813-D845 IonicContact CZ-OD1 3.07Å; R813-D845 IonicContact NE-OD1 3.78Å; R813-D845 PolarHBondContact NE-OD1 3.34Å; R813-D845 IonicContact NH2-OD1 2.71Å; R813-D845 PolarHBondContact NH2-OD1 2.94Å; R813-L848 VanDerWaalsContact CZ-CB 3.43Å; R813-L848 VanDerWaalsContact NH2-CB 3.33Å; R813-N849 PolarHBondContact NH2-OD1 3.01Å; R813-E891 IonicContact NH1-OE1 3.72Å
814	R	92.3	Very high	87.2	Confident	95 Å²	95	69 Å²	69	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-57.1	-35.2	177.2	-70.5	163	-172.8	178.5	-8.2	111.8	L810 D811 F812 K818 E891	L810-R814 WeakPolarHBondContact O-CB 3.48Å; L810-R814 WeakPolarHBondContact O-CD 3.49Å; L810-R814 WeakPolarHBondContact O-CG 3.07Å; L810-R814 PolarHBondContact O-N 3.46Å; D811-R814 IonicContact OD1-CZ 2.71Å; D811-R814 IonicContact OD1-NH1 3.92Å; D811-R814 PolarHBondContact OD1-NH1 2.99Å; F812-R814 PolarHBondContact O-N 3.16Å; R814-K818 WeakPolarHBondContact O-CB 3.35Å; R814-K818 WeakPolarHBondContact O-CG 3.46Å; R814-K818 PolarHBondContact O-N 2.95Å; R814-K818 VanDerWaalsContact O-N 3.15Å; R814-E891 IonicContact CZ-OE1 2.65Å; R814-E891 IonicContact CZ-OE2 2.67Å; R814-E891 VanDerWaalsContact CZ-OE2 3.22Å; R814-E891 IonicContact NE-OE1 3.67Å; R814-E891 PolarHBondContact NE-OE1 2.97Å; R814-E891 VanDerWaalsContact NE-OE1 3.1Å; R814-E891 IonicContact NE-OE2 3.62Å; R814-E891 PolarHBondContact NE-OE2 3.1Å; R814-E891 VanDerWaalsContact NE-OE2 3.11Å; R814-E891 IonicContact NH2-OE1 3.31Å; R814-E891 IonicContact NH2-OE2 3.77Å; R814-E891 PolarHBondContact NH2-OE2 3.18Å
815	K	92.5	Very high	87	Confident	54 Å²	54	62.3 Å²	62.3	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-78	-35.8	175.4	-67.6	178.6	-171.1	-175.4	0	113.3	W767 F771 F792 D811 F812 R813 C819	W767-K815 HydrophobicContact CD2-CD 4.34Å; W767-K815 HydrophobicContact CZ2-CD 4.49Å; F771-K815 HydrophobicContact CE2-CD 3.67Å; F771-K815 HydrophobicContact CZ-CD 3.73Å; F792-K815 HydrophobicContact CE1-CB 4.01Å; D811-K815 WeakPolarHBondContact O-CG 3.39Å; D811-K815 PolarHBondContact O-N 3.07Å; F812-K815 PolarHBondContact O-N 3.17Å; R813-K815 PolarHBondContact O-N 3.37Å; K815-C819 PolarHBondContact O-N 3.43Å
816	V	93.9	Very high	87	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-48.3	170.6	176.2	0	0	0	0	110	V727 V729 F792 F812 R813 K818 C819 I827 Y841	V727-V816 HydrophobicContact CG1-CG1 4.15Å; V729-V816 HydrophobicContact CG2-CG1 3.92Å; V729-V816 HydrophobicContact CG2-CG2 4.01Å; F792-V816 HydrophobicContact CB-CG2 3.86Å; F792-V816 HydrophobicContact CD1-CG2 3.73Å; F792-V816 HydrophobicContact CD2-CG2 3.97Å; F792-V816 HydrophobicContact CE1-CG2 4.27Å; F792-V816 HydrophobicContact CE2-CG2 4.46Å; F792-V816 HydrophobicContact CG-CG2 3.58Å; F812-V816 HydrophobicContact CD1-CG2 4.29Å; F812-V816 HydrophobicContact CE1-CG2 4.07Å; F812-V816 HydrophobicContact CZ-CG2 4.36Å; F812-V816 PolarHBondContact O-N 2.96Å; R813-V816 WeakPolarHBondContact O-CB 3.43Å; R813-V816 PolarHBondContact O-N 3.27Å; R813-V816 VanDerWaalsContact O-N 3.13Å; V816-K818 VanDerWaalsContact C-N 3.34Å; V816-K818 PolarHBondContact O-N 2.96Å; V816-C819 WeakPolarHBondContact O-CB 3.48Å; V816-C819 PolarHBondContact O-N 2.81Å; V816-I827 HydrophobicContact CG1-CD1 4.25Å; V816-Y841 WeakPolarHBondContact CG1-OH 3.39Å
817	N	89.7	Confident	87.1	Confident	49 Å²	49	61 Å²	61	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-78.2	-17.6	-174.1	-67.1	3	0	0	0	113.8	R813 D845	R813-N817 PolarHBondContact NH2-ND2 2.99Å; R813-N817 PolarHBondContact O-N 3.18Å; N817-D845 PolarHBondContact ND2-OD1 2.58Å
818	K	88.2	Confident	87.3	Confident	88 Å²	88	53.6 Å²	53.6	38%	0.383	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.5	165.2	-78.3	-166.1	172.7	-149.9	0	113.9	E602 R814 V816	E602-K818 PolarHBondContact O-NZ 3.41Å; R814-K818 WeakPolarHBondContact O-CB 3.35Å; R814-K818 WeakPolarHBondContact O-CG 3.46Å; R814-K818 PolarHBondContact O-N 2.95Å; R814-K818 VanDerWaalsContact O-N 3.15Å; V816-K818 VanDerWaalsContact C-N 3.34Å; V816-K818 PolarHBondContact O-N 2.96Å
819	C	86.8	Confident	87.5	Confident	12 Å²	12	52.1 Å²	52.1	8%	0.081	23%	0.234	C	C	.	.	S	Bend	trans	-69.2	142.4	177	-166	0	0	0	0	110.8	V727 F792 K815 V816 R821	V727-C819 HydrophobicContact CG2-CB 4.44Å; F792-C819 HydrophobicContact CE2-CB 3.83Å; F792-C819 HydrophobicContact CZ-CB 3.72Å; K815-C819 PolarHBondContact O-N 3.43Å; V816-C819 WeakPolarHBondContact O-CB 3.48Å; V816-C819 PolarHBondContact O-N 2.81Å; C819-R821 PolarHBondContact O-N 2.95Å
820	Y	71.8	Confident	87.6	Confident	166 Å²	166	52 Å²	52	65%	0.651	23%	0.234	S	C	*	.			trans	-61.5	122.8	172.5	-177.7	-89.6	0	0	0	110.4
821	R	76.5	Confident	87.6	Confident	155 Å²	155	51.8 Å²	51.8	59%	0.585	23%	0.233	S	C	*	.			trans	-125.2	136.4	172.6	56.3	-175.6	172.3	88.3	-0.1	108.9	C819	C819-R821 PolarHBondContact O-N 2.95Å
822	G	64.1	Low	87.7	Confident	16 Å²	16	49.5 Å²	49.5	17%	0.165	22%	0.222	C	C	.	.			trans	-62.2	160.1	170.6	0	0	0	0	0	111.1	S824 C825	G822-S824 PolarHBondContact O-N 3.34Å; G822-C825 VanDerWaalsContact CA-SG 3.58Å; G822-C825 PolarHBondContact O-N 2.61Å
823	R	65.1	Low	87.6	Confident	242 Å²	242	50.5 Å²	50.5	91%	0.913	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	135.3	166.1	-67.3	-177	-179.8	177.4	0.2	108	C825	R823-C825 VanDerWaalsContact C-N 3.26Å; R823-C825 PolarHBondContact O-N 3.34Å
824	S	70	Confident	87.7	Confident	77 Å²	77	49.6 Å²	49.6	54%	0.538	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	18.7	177.1	-40.3	0	0	0	0	115.9	M699 G822 P826	M699-S824 PolarHBondContact SD-OG 2.94Å; G822-S824 PolarHBondContact O-N 3.34Å; S824-P826 WeakPolarHBondContact O-CD 3.49Å
825	C	86.7	Confident	87.8	Confident	17 Å²	17	45 Å²	45	12%	0.115	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-90.1	116.4	174.7	-67.6	0	0	0	0	111.5	N724 G822 R823	N724-C825 PolarHBondContact ND2-SG 2.84Å; N724-C825 VanDerWaalsContact ND2-SG 3.45Å; N724-C825 WeakPolarHBondContact O-CB 3.42Å; N724-C825 PolarHBondContact O-SG 3.4Å; G822-C825 VanDerWaalsContact CA-SG 3.58Å; G822-C825 PolarHBondContact O-N 2.61Å; R823-C825 VanDerWaalsContact C-N 3.26Å; R823-C825 PolarHBondContact O-N 3.34Å
826	P	93.3	Very high	87.9	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.045	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-72.6	151.3	174.1	27.6	-31.8	0	0	0	112.5	P700 A701 I703 G723 S824	P700-P826 HydrophobicContact CG-CB 4.48Å; P700-P826 WeakPolarHBondContact O-CB 3.41Å; A701-P826 WeakPolarHBondContact O-CA 3.44Å; I703-P826 HydrophobicContact CD1-CB 4.44Å; I703-P826 HydrophobicContact CD1-CG 4.01Å; I703-P826 HydrophobicContact CG1-CB 4.16Å; I703-P826 HydrophobicContact CG1-CG 4.26Å; G723-P826 WeakPolarHBondContact O-CD 3.32Å; G723-P826 WeakPolarHBondContact O-CG 3.39Å; S824-P826 WeakPolarHBondContact O-CD 3.49Å
827	I	95.7	Very high	88	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.3	173.2	-57.6	176.3	0	0	0	109.4	A701 Y702 I703 V727 V729 V816 V829	A701-I827 PolarHBondContact O-N 3.49Å; Y702-I827 CarbonylContact C-O 3.57Å; Y702-I827 WeakPolarHBondContact CA-O 3.5Å; Y702-I827 HydrophobicContact CD1-CB 4.2Å; I703-I827 PolarHBondContact N-O 3.42Å; V727-I827 HydrophobicContact CB-CG1 4.34Å; V727-I827 HydrophobicContact CB-CG2 4.26Å; V727-I827 HydrophobicContact CG1-CG2 4.02Å; V729-I827 HydrophobicContact CG2-CG2 3.74Å; V816-I827 HydrophobicContact CG1-CD1 4.25Å; I827-V829 HydrophobicContact CG2-CG2 4.03Å
828	I	97.7	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.5	170.7	-64	174.1	0	0	0	108.4	I703 T705 F716 V719 C725 V727 I728 V729	I703-I828 HydrophobicContact CB-CG1 4.31Å; I703-I828 WeakPolarHBondContact O-CA 3.37Å; T705-I828 HydrophobicContact CG2-CG2 3.71Å; F716-I828 HydrophobicContact CE2-CG2 3.93Å; F716-I828 HydrophobicContact CZ-CG2 4.18Å; V719-I828 HydrophobicContact CG1-CD1 4.24Å; C725-I828 HydrophobicContact CB-CD1 3.79Å; C725-I828 HydrophobicContact CB-CG1 3.91Å; C725-I828 VanDerWaalsContact SG-CG1 3.58Å; V727-I828 PolarHBondContact O-N 3.26Å; I728-I828 CarbonylContact C-O 3.52Å; I728-I828 WeakPolarHBondContact CA-O 3.26Å; I728-I828 HydrophobicContact CG1-CB 4.25Å; I728-I828 HydrophobicContact CG1-CD1 4.32Å; I728-I828 HydrophobicContact CG2-CB 4.48Å; I728-I828 HydrophobicContact CG2-CG2 4.33Å; V729-I828 PolarHBondContact N-O 2.81Å
829	V	98.3	Very high	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123	176.8	-171.6	0	0	0	0	109.6	Y702 I703 T705 V729 I827 T838 Y841 I842	Y702-V829 HydrophobicContact CD1-CG2 4.18Å; I703-V829 PolarHBondContact O-N 2.88Å; T705-V829 PolarHBondContact N-O 3.47Å; T705-V829 VanDerWaalsContact N-O 3.08Å; V729-V829 HydrophobicContact CB-CB 4.48Å; V729-V829 HydrophobicContact CB-CG1 4.29Å; V729-V829 HydrophobicContact CB-CG2 4.23Å; V729-V829 HydrophobicContact CG1-CG1 4.08Å; V729-V829 WeakPolarHBondContact O-CA 3.25Å; I827-V829 HydrophobicContact CG2-CG2 4.03Å; V829-T838 HydrophobicContact CB-CG2 4.11Å; V829-T838 HydrophobicContact CG1-CG2 3.91Å; V829-T838 WeakPolarHBondContact O-CG2 3.41Å; V829-Y841 HydrophobicContact CG1-CD1 3.8Å; V829-Y841 HydrophobicContact CG1-CG 4.44Å; V829-Y841 HydrophobicContact CG2-CD1 4.18Å; V829-Y841 HydrophobicContact CG2-CE1 4.28Å; V829-I842 HydrophobicContact CB-CD1 4.02Å; V829-I842 HydrophobicContact CB-CG1 4.27Å; V829-I842 HydrophobicContact CG1-CD1 4.39Å; V829-I842 HydrophobicContact CG1-CG1 4.31Å; V829-I842 HydrophobicContact CG2-CD1 4.11Å; V829-I842 HydrophobicContact CG2-CG1 4.03Å
830	H	98.1	Very high	89.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.5	-179.2	86.4	90.9	0	0	0	113.9	T705 V729 M730 M731 Y745 T838	T705-H830 HydrophobicContact CG2-CB 3.65Å; T705-H830 WeakPolarHBondContact O-CA 3.39Å; T705-H830 WeakPolarHBondContact O-CB 3.31Å; V729-H830 PolarHBondContact O-N 3.41Å; M730-H830 WeakPolarHBondContact CB-NE2 3.06Å; M730-H830 VanDerWaalsContact CG-CE1 3.4Å; M730-H830 WeakPolarHBondContact CG-CE1 3.31Å; M730-H830 WeakPolarHBondContact CG-NE2 3.02Å; M730-H830 VanDerWaalsContact SD-CE1 3.58Å; M731-H830 PolarHBondContact N-O 3.48Å; Y745-H830 AromaticContact CE1-CE1 3.69Å; Y745-H830 AromaticContact CE1-NE2 3.4Å; Y745-H830 WeakPolarHBondContact CE1-NE2 3.46Å; Y745-H830 AromaticContact CZ-NE2 3.5Å; Y745-H830 PolarHBondContact OH-NE2 3.39Å; H830-T838 VanDerWaalsContact C-OG1 3.26Å; H830-T838 VanDerWaalsContact CA-OG1 3.29Å; H830-T838 WeakPolarHBondContact CA-OG1 3.5Å
831	C	95.6	Very high	90.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.135	C	C	.	.			trans	-130.8	-126.8	165.6	51.3	0	0	0	0	108.5	G707 M731 D833 G834 R837 T838	G707-C831 WeakPolarHBondContact CA-O 3.38Å; G707-C831 PolarHBondContact N-O 2.67Å; M731-C831 HydrophobicContact CB-CB 4.16Å; C831-D833 PolarHBondContact SG-OD1 2.04Å; C831-G834 PolarHBondContact SG-N 3.05Å; C831-R837 HydrophobicContact CB-CB 3.91Å; C831-R837 HydrophobicContact CB-CG 4.39Å; C831-T838 PolarHBondContact N-OG1 2.93Å; C831-T838 PolarHBondContact SG-OG1 2.96Å; C831-T838 VanDerWaalsContact SG-OG1 3.36Å
832	S	95.2	Very high	91.6	Very high	22 Å²	22	21.1 Å²	21.1	15%	0.154	11%	0.107	C	C	.	.	S	Bend	trans	-88	-70.1	171.3	-174	0	0	0	0	110.5	R661 Q706 G707 Q741 G834	R661-S832 WeakPolarHBondContact CD-O 3.28Å; Q706-S832 WeakPolarHBondContact CA-O 3.29Å; Q706-S832 WeakPolarHBondContact CB-O 3.22Å; G707-S832 PolarHBondContact N-O 3.38Å; Q741-S832 PolarHBondContact O-OG 2.97Å; Q741-S832 PolarHBondContact OE1-OG 3.17Å; S832-G834 VanDerWaalsContact C-N 3.34Å; S832-G834 PolarHBondContact O-N 3.07Å
833	D	94	Very high	93.2	Very high	21 Å²	21	20.4 Å²	20.4	11%	0.112	10%	0.099	C	C	.	.	S	Bend	trans	-73	-20.3	176.2	53.2	22.8	0	0	0	114.8	C662 C831 T835 G836 R871 R876	C662-D833 HydrophobicContact CB-CB 4.5Å; C831-D833 PolarHBondContact SG-OD1 2.04Å; D833-T835 VanDerWaalsContact C-N 3.26Å; D833-T835 PolarHBondContact O-N 3.22Å; D833-T835 PolarHBondContact OD1-N 3.13Å; D833-T835 PolarHBondContact OD1-OG1 2.04Å; D833-T835 PolarHBondContact OD2-OG1 3.29Å; D833-G836 PolarHBondContact OD1-N 2.84Å; D833-G836 VanDerWaalsContact OD1-N 3.07Å; D833-R871 PolarHBondContact O-NH2 3.29Å; D833-R876 WeakPolarHBondContact OD2-CD 3.22Å; D833-R876 IonicContact OD2-CZ 2.74Å; D833-R876 IonicContact OD2-NE 3.9Å; D833-R876 IonicContact OD2-NH1 3.94Å; D833-R876 PolarHBondContact OD2-NH1 2.69Å
834	G	95.3	Very high	94.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	70.6	20.3	-173.3	0	0	0	0	0	113.8	T705 C831 S832 T838 R871	T705-G834 WeakPolarHBondContact O-CA 3.28Å; C831-G834 PolarHBondContact SG-N 3.05Å; S832-G834 VanDerWaalsContact C-N 3.34Å; S832-G834 PolarHBondContact O-N 3.07Å; G834-T838 WeakPolarHBondContact O-CG2 3.23Å; G834-R871 PolarHBondContact O-NE 3.47Å
835	T	95.4	Very high	95.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-129.7	-46.5	-176.3	52.8	0	0	0	0	112.5	S665 D833 G839 R871 P872 M874 V875	S665-T835 PolarHBondContact OG-OG1 3.47Å; D833-T835 VanDerWaalsContact C-N 3.26Å; D833-T835 PolarHBondContact O-N 3.22Å; D833-T835 PolarHBondContact OD1-N 3.13Å; D833-T835 PolarHBondContact OD1-OG1 2.04Å; D833-T835 PolarHBondContact OD2-OG1 3.29Å; T835-G839 WeakPolarHBondContact O-CA 3.07Å; T835-G839 PolarHBondContact O-N 2.92Å; T835-R871 HydrophobicContact CG2-CG 4.24Å; T835-P872 VanDerWaalsContact CG2-O 3.31Å; T835-P872 WeakPolarHBondContact CG2-O 3.26Å; T835-M874 WeakPolarHBondContact O-CA 3.2Å; T835-V875 PolarHBondContact O-N 2.93Å
836	G	94.4	Very high	96.3	Very high	2 Å²	2	4.6 Å²	4.6	2%	0.021	3%	0.025	C	C	.	.	H	α-helix	trans	-67.3	-79.5	-178.1	0	0	0	0	0	113.1	D833 G839 T840	D833-G836 PolarHBondContact OD1-N 2.84Å; D833-G836 VanDerWaalsContact OD1-N 3.07Å; G836-G839 PolarHBondContact O-N 3.35Å; G836-T840 PolarHBondContact O-N 3.19Å; G836-T840 PolarHBondContact O-OG1 3.04Å
837	R	96.7	Very high	96.3	Very high	21 Å²	21	4.2 Å²	4.2	8%	0.079	2%	0.023	C	C	.	.	H	α-helix	trans	-68.7	-37.1	-177.3	-50.1	177.7	-170.2	161.6	11	111.8	M731 T732 E736 W797 P798 A799 C831 T840 Y841	M731-R837 HydrophobicContact CB-CB 4Å; M731-R837 WeakPolarHBondContact O-CD 3.07Å; M731-R837 PolarHBondContact O-NH1 3.06Å; T732-R837 PolarHBondContact OG1-NH1 3.07Å; E736-R837 VanDerWaalsContact CD-NH1 3.35Å; E736-R837 IonicContact OE1-CZ 2.74Å; E736-R837 IonicContact OE1-NH1 2.71Å; E736-R837 PolarHBondContact OE1-NH1 3.46Å; E736-R837 IonicContact OE1-NH2 3.03Å; E736-R837 IonicContact OE2-CZ 3.79Å; E736-R837 VanDerWaalsContact OE2-CZ 3.3Å; E736-R837 IonicContact OE2-NH1 3.55Å; E736-R837 PolarHBondContact OE2-NH1 2.83Å; E736-R837 IonicContact OE2-NH2 2.98Å; E736-R837 PolarHBondContact OE2-NH2 2.92Å; W797-R837 HydrophobicContact CD2-CB 4.23Å; W797-R837 HydrophobicContact CD2-CG 3.95Å; W797-R837 HydrophobicContact CE3-CB 4.39Å; W797-R837 HydrophobicContact CG-CG 4.14Å; W797-R837 HydrophobicContact CH2-CB 4.49Å; W797-R837 HydrophobicContact CZ2-CB 4.33Å; W797-R837 HydrophobicContact CZ2-CG 4.18Å; P798-R837 PolarHBondContact O-NH2 2.95Å; P798-R837 VanDerWaalsContact O-NH2 3.08Å; A799-R837 PolarHBondContact O-NH2 3.05Å; C831-R837 HydrophobicContact CB-CB 3.91Å; C831-R837 HydrophobicContact CB-CG 4.39Å; R837-T840 PolarHBondContact O-N 3.36Å; R837-Y841 WeakPolarHBondContact O-CB 3.47Å; R837-Y841 PolarHBondContact O-N 2.95Å
838	T	97.8	Very high	96.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-56	-51.4	171.4	-70.2	0	0	0	0	111.9	A704 V829 H830 C831 G834 T840 Y841 I842 M874	A704-T838 HydrophobicContact CB-CG2 3.69Å; V829-T838 HydrophobicContact CB-CG2 4.11Å; V829-T838 HydrophobicContact CG1-CG2 3.91Å; V829-T838 WeakPolarHBondContact O-CG2 3.41Å; H830-T838 VanDerWaalsContact C-OG1 3.26Å; H830-T838 VanDerWaalsContact CA-OG1 3.29Å; H830-T838 WeakPolarHBondContact CA-OG1 3.5Å; C831-T838 PolarHBondContact N-OG1 2.93Å; C831-T838 PolarHBondContact SG-OG1 2.96Å; C831-T838 VanDerWaalsContact SG-OG1 3.36Å; G834-T838 WeakPolarHBondContact O-CG2 3.23Å; T838-T840 VanDerWaalsContact C-N 3.33Å; T838-T840 PolarHBondContact O-N 3.02Å; T838-Y841 PolarHBondContact O-N 2.92Å; T838-I842 HydrophobicContact CG2-CD1 3.87Å; T838-I842 WeakPolarHBondContact O-CB 3.38Å; T838-I842 WeakPolarHBondContact O-CG1 3.28Å; T838-I842 PolarHBondContact O-N 3.13Å; T838-M874 HydrophobicContact CG2-CE 4.37Å; T838-M874 HydrophobicContact CG2-SD 4.49Å
839	G	97.3	Very high	95.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178	0	0	0	0	0	112.4	T835 G836 I842 L843	T835-G839 WeakPolarHBondContact O-CA 3.07Å; T835-G839 PolarHBondContact O-N 2.92Å; G836-G839 PolarHBondContact O-N 3.35Å; G839-I842 PolarHBondContact O-N 3.2Å; G839-L843 VanDerWaalsContact O-CB 3.25Å; G839-L843 WeakPolarHBondContact O-CB 3.44Å; G839-L843 PolarHBondContact O-N 2.74Å
840	T	97.7	Very high	95.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.3	-44.7	177.8	-46.3	0	0	0	0	111.7	W797 G836 R837 T838 L843 I844 Q880 F883 A884	W797-T840 HydrophobicContact CH2-CG2 3.72Å; W797-T840 HydrophobicContact CZ2-CG2 4.23Å; G836-T840 PolarHBondContact O-N 3.19Å; G836-T840 PolarHBondContact O-OG1 3.04Å; R837-T840 PolarHBondContact O-N 3.36Å; T838-T840 VanDerWaalsContact C-N 3.33Å; T838-T840 PolarHBondContact O-N 3.02Å; T840-L843 PolarHBondContact O-N 3.39Å; T840-I844 HydrophobicContact CG2-CD1 4.15Å; T840-I844 WeakPolarHBondContact O-CD1 3.32Å; T840-I844 VanDerWaalsContact O-CG1 3.27Å; T840-I844 WeakPolarHBondContact O-CG1 3.39Å; T840-I844 PolarHBondContact O-N 3.41Å; T840-I844 VanDerWaalsContact O-N 3.12Å; T840-Q880 HydrophobicContact CG2-CB 4.31Å; T840-Q880 WeakPolarHBondContact CG2-O 3.43Å; T840-F883 HydrophobicContact CG2-CD1 4.16Å; T840-A884 HydrophobicContact CG2-CB 4.22Å
841	Y	97.8	Very high	94.6	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-63	-46.9	174.8	178.1	-92.6	0	0	0	112	V729 M731 L809 F812 R813 V816 V829 R837 T838 L843 I844 D845	V729-Y841 HydrophobicContact CG1-CD1 4.18Å; V729-Y841 HydrophobicContact CG1-CE1 4Å; V729-Y841 HydrophobicContact CG1-CE2 4.38Å; V729-Y841 HydrophobicContact CG1-CG 4.47Å; V729-Y841 HydrophobicContact CG2-CE1 4.34Å; M731-Y841 HydrophobicContact CE-CD2 4.32Å; M731-Y841 HydrophobicContact SD-CD2 4.2Å; M731-Y841 HydrophobicContact SD-CG 4.43Å; L809-Y841 HydrophobicContact CD1-CD2 4.07Å; F812-Y841 HydrophobicContact CD1-CE2 4.01Å; F812-Y841 HydrophobicContact CE1-CD2 4.48Å; F812-Y841 AromaticContact CE1-CE2 3.93Å; F812-Y841 HydrophobicContact CE1-CE2 3.93Å; R813-Y841 HydrophobicContact CB-CE2 4.29Å; V816-Y841 WeakPolarHBondContact CG1-OH 3.39Å; V829-Y841 HydrophobicContact CG1-CD1 3.8Å; V829-Y841 HydrophobicContact CG1-CG 4.44Å; V829-Y841 HydrophobicContact CG2-CD1 4.18Å; V829-Y841 HydrophobicContact CG2-CE1 4.28Å; R837-Y841 WeakPolarHBondContact O-CB 3.47Å; R837-Y841 PolarHBondContact O-N 2.95Å; T838-Y841 PolarHBondContact O-N 2.92Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; Y841-L843 PolarHBondContact O-N 3.09Å; Y841-I844 PolarHBondContact O-N 3.2Å; Y841-D845 HydrophobicContact CE1-CB 4.48Å; Y841-D845 WeakPolarHBondContact O-CB 3.34Å; Y841-D845 PolarHBondContact O-N 3.28Å
842	I	97.9	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-39.3	179.2	-73	172	0	0	0	111.3	I692 Y702 A704 V829 T838 G839 D845 M846 V867 M874	I692-I842 HydrophobicContact CG1-CD1 4.36Å; I692-I842 HydrophobicContact CG2-CG2 4.27Å; Y702-I842 HydrophobicContact CD1-CG1 4.17Å; Y702-I842 HydrophobicContact CD2-CG1 4.43Å; Y702-I842 HydrophobicContact CD2-CG2 3.97Å; Y702-I842 HydrophobicContact CE2-CG2 4.08Å; Y702-I842 HydrophobicContact CG-CD1 4.16Å; Y702-I842 HydrophobicContact CG-CG1 4.07Å; Y702-I842 HydrophobicContact CG-CG2 4.45Å; A704-I842 HydrophobicContact CB-CD1 4.05Å; V829-I842 HydrophobicContact CB-CD1 4.02Å; V829-I842 HydrophobicContact CB-CG1 4.27Å; V829-I842 HydrophobicContact CG1-CD1 4.39Å; V829-I842 HydrophobicContact CG1-CG1 4.31Å; V829-I842 HydrophobicContact CG2-CD1 4.11Å; V829-I842 HydrophobicContact CG2-CG1 4.03Å; T838-I842 HydrophobicContact CG2-CD1 3.87Å; T838-I842 WeakPolarHBondContact O-CB 3.38Å; T838-I842 WeakPolarHBondContact O-CG1 3.28Å; T838-I842 PolarHBondContact O-N 3.13Å; G839-I842 PolarHBondContact O-N 3.2Å; I842-D845 PolarHBondContact O-N 3.15Å; I842-M846 HydrophobicContact CG2-CE 4.11Å; I842-M846 WeakPolarHBondContact O-CB 3.32Å; I842-M846 PolarHBondContact O-N 3Å; I842-V867 HydrophobicContact CG2-CG2 4.34Å; I842-M874 HydrophobicContact CD1-CE 4.03Å
843	L	97.4	Very high	93.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-50.6	176.3	-179.1	61.4	0	0	0	111.3	G839 T840 Y841 D845 V847 I860 T863 L864 V875 F881 A884	G839-L843 VanDerWaalsContact O-CB 3.25Å; G839-L843 WeakPolarHBondContact O-CB 3.44Å; G839-L843 PolarHBondContact O-N 2.74Å; T840-L843 PolarHBondContact O-N 3.39Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; Y841-L843 PolarHBondContact O-N 3.09Å; L843-D845 PolarHBondContact O-N 2.86Å; L843-V847 HydrophobicContact CD1-CG2 4.16Å; L843-V847 WeakPolarHBondContact O-CB 3.33Å; L843-V847 VanDerWaalsContact O-CG2 3.27Å; L843-V847 WeakPolarHBondContact O-CG2 3.45Å; L843-V847 PolarHBondContact O-N 3.35Å; L843-I860 HydrophobicContact CD1-CG1 3.98Å; L843-I860 HydrophobicContact CD2-CD1 4.39Å; L843-I860 HydrophobicContact CD2-CG1 4.04Å; L843-I860 HydrophobicContact CG-CD1 4.39Å; L843-I860 HydrophobicContact CG-CG1 4.1Å; L843-T863 HydrophobicContact CD1-CG2 3.78Å; L843-L864 HydrophobicContact CD1-CB 4.1Å; L843-L864 HydrophobicContact CD2-CB 4.23Å; L843-L864 HydrophobicContact CD2-CD1 4.34Å; L843-L864 HydrophobicContact CD2-CD2 4.36Å; L843-V875 HydrophobicContact CD2-CG2 4.09Å; L843-F881 HydrophobicContact CD2-CD2 4.11Å; L843-F881 HydrophobicContact CD2-CE2 4.32Å; L843-A884 HydrophobicContact CD2-CB 3.91Å; L843-A884 HydrophobicContact CG-CB 4.45Å
844	I	96.6	Very high	92.9	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-58.4	-48.8	177.5	-67.1	163.6	0	0	0	110.5	L809 L810 T840 Y841 L848 F883 A884 A887 V888	L809-I844 HydrophobicContact CD2-CD1 3.87Å; L810-I844 HydrophobicContact CD2-CG2 4.43Å; T840-I844 HydrophobicContact CG2-CD1 4.15Å; T840-I844 WeakPolarHBondContact O-CD1 3.32Å; T840-I844 VanDerWaalsContact O-CG1 3.27Å; T840-I844 WeakPolarHBondContact O-CG1 3.39Å; T840-I844 PolarHBondContact O-N 3.41Å; T840-I844 VanDerWaalsContact O-N 3.12Å; Y841-I844 PolarHBondContact O-N 3.2Å; I844-L848 HydrophobicContact CG2-CD1 3.67Å; I844-L848 WeakPolarHBondContact O-CB 3.48Å; I844-L848 WeakPolarHBondContact O-CD1 3.26Å; I844-L848 VanDerWaalsContact O-CG 3.3Å; I844-L848 WeakPolarHBondContact O-CG 3.39Å; I844-L848 PolarHBondContact O-N 3Å; I844-L848 VanDerWaalsContact O-N 3.1Å; I844-F883 HydrophobicContact CD1-CD1 4.48Å; I844-F883 HydrophobicContact CD1-CE1 4.36Å; I844-A884 HydrophobicContact CD1-CB 4.26Å; I844-A884 HydrophobicContact CG1-CB 3.79Å; I844-A887 HydrophobicContact CD1-CB 3.79Å; I844-A887 HydrophobicContact CG1-CB 4.18Å; I844-A887 HydrophobicContact CG2-CB 4.33Å; I844-V888 HydrophobicContact CG2-CG2 4.39Å
845	D	95.7	Very high	92.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-68.8	-42.7	-177.6	-169.6	43.9	0	0	0	112.8	Y702 R813 N817 Y841 I842 L843 L848 N849	Y702-D845 WeakPolarHBondContact CE1-OD2 3.27Å; Y702-D845 PolarHBondContact OH-OD2 3.04Å; Y702-D845 VanDerWaalsContact OH-OD2 3.04Å; R813-D845 IonicContact CZ-OD1 3.07Å; R813-D845 IonicContact NE-OD1 3.78Å; R813-D845 PolarHBondContact NE-OD1 3.34Å; R813-D845 IonicContact NH2-OD1 2.71Å; R813-D845 PolarHBondContact NH2-OD1 2.94Å; N817-D845 PolarHBondContact ND2-OD1 2.58Å; Y841-D845 HydrophobicContact CE1-CB 4.48Å; Y841-D845 WeakPolarHBondContact O-CB 3.34Å; Y841-D845 PolarHBondContact O-N 3.28Å; I842-D845 PolarHBondContact O-N 3.15Å; L843-D845 PolarHBondContact O-N 2.86Å; D845-L848 PolarHBondContact O-N 3.02Å; D845-N849 WeakPolarHBondContact O-CB 3.37Å; D845-N849 PolarHBondContact O-N 2.95Å; D845-N849 PolarHBondContact O-ND2 3.11Å; D845-N849 VanDerWaalsContact O-ND2 3.15Å; D845-N849 PolarHBondContact OD1-ND2 3.39Å; D845-N849 VanDerWaalsContact OD1-ND2 3.14Å; D845-N849 PolarHBondContact OD1-OD1 3.19Å; D845-N849 PolarHBondContact OD2-ND2 3.47Å
846	M	93.9	Very high	91.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-44.4	178.1	-170.8	-178.7	-64.2	0	0	111.8	I692 E694 Y702 I842 N849 R850 T863 V867	I692-M846 HydrophobicContact CG2-CE 3.89Å; E694-M846 HydrophobicContact CB-CE 4.4Å; E694-M846 HydrophobicContact CB-CG 4.46Å; E694-M846 HydrophobicContact CG-CG 3.92Å; Y702-M846 HydrophobicContact CD2-CE 4.48Å; Y702-M846 HydrophobicContact CE2-CE 3.99Å; I842-M846 HydrophobicContact CG2-CE 4.11Å; I842-M846 WeakPolarHBondContact O-CB 3.32Å; I842-M846 PolarHBondContact O-N 3Å; M846-N849 PolarHBondContact O-N 3.05Å; M846-R850 WeakPolarHBondContact O-CB 3.27Å; M846-R850 VanDerWaalsContact O-CG 3.29Å; M846-R850 WeakPolarHBondContact O-CG 3.28Å; M846-R850 PolarHBondContact O-N 2.85Å; M846-T863 HydrophobicContact CG-CG2 4.3Å; M846-T863 HydrophobicContact SD-CG2 3.85Å; M846-V867 HydrophobicContact CE-CG2 3.7Å; M846-V867 HydrophobicContact SD-CG2 4.04Å
847	V	93.5	Very high	90.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-48.3	177.1	168.8	0	0	0	0	110.9	L843 N849 R850 M851 I858 I860 T863 V888	L843-V847 HydrophobicContact CD1-CG2 4.16Å; L843-V847 WeakPolarHBondContact O-CB 3.33Å; L843-V847 VanDerWaalsContact O-CG2 3.27Å; L843-V847 WeakPolarHBondContact O-CG2 3.45Å; L843-V847 PolarHBondContact O-N 3.35Å; V847-N849 VanDerWaalsContact C-N 3.34Å; V847-N849 PolarHBondContact O-N 3.45Å; V847-R850 PolarHBondContact O-N 3.39Å; V847-M851 HydrophobicContact CG1-CE 3.71Å; V847-M851 HydrophobicContact CG1-SD 4.47Å; V847-M851 WeakPolarHBondContact O-CG 3.47Å; V847-M851 PolarHBondContact O-N 3.24Å; V847-I858 HydrophobicContact CG1-CG2 3.74Å; V847-I860 HydrophobicContact CG2-CD1 4.37Å; V847-I860 HydrophobicContact CG2-CG1 4.19Å; V847-T863 HydrophobicContact CG2-CG2 3.88Å; V847-V888 HydrophobicContact CB-CG2 4.24Å; V847-V888 HydrophobicContact CG1-CB 4.48Å; V847-V888 HydrophobicContact CG1-CG1 3.67Å; V847-V888 HydrophobicContact CG1-CG2 3.95Å
848	L	91.7	Very high	89.4	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-29.7	-179.9	-69.7	166	0	0	0	113.1	L810 R813 I844 D845 M851 A852 V888 E891 V892	L810-L848 HydrophobicContact CD2-CD1 4.34Å; R813-L848 VanDerWaalsContact CZ-CB 3.43Å; R813-L848 VanDerWaalsContact NH2-CB 3.33Å; I844-L848 HydrophobicContact CG2-CD1 3.67Å; I844-L848 WeakPolarHBondContact O-CB 3.48Å; I844-L848 WeakPolarHBondContact O-CD1 3.26Å; I844-L848 VanDerWaalsContact O-CG 3.3Å; I844-L848 WeakPolarHBondContact O-CG 3.39Å; I844-L848 PolarHBondContact O-N 3Å; I844-L848 VanDerWaalsContact O-N 3.1Å; D845-L848 PolarHBondContact O-N 3.02Å; L848-M851 HydrophobicContact CD2-SD 3.81Å; L848-A852 WeakPolarHBondContact O-CB 3.38Å; L848-A852 PolarHBondContact O-N 3.22Å; L848-V888 HydrophobicContact CD1-CG2 4.45Å; L848-V888 HydrophobicContact CD2-CB 4.46Å; L848-V888 HydrophobicContact CD2-CG1 3.9Å; L848-V888 HydrophobicContact CG-CG1 4.29Å; L848-V888 HydrophobicContact CG-CG2 4.2Å; L848-E891 HydrophobicContact CD1-CB 3.97Å; L848-E891 HydrophobicContact CD1-CG 3.93Å; L848-E891 HydrophobicContact CD2-CB 3.78Å; L848-E891 HydrophobicContact CD2-CG 3.81Å; L848-E891 HydrophobicContact CG-CG 4.5Å; L848-V892 HydrophobicContact CD2-CG2 4.43Å
849	N	89.7	Confident	89	Confident	35 Å²	35	36.1 Å²	36.1	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-72.5	-33.2	172.7	-70.9	-22.7	0	0	0	111.8	Y702 R813 D845 M846 V847 K853	Y702-N849 PolarHBondContact OH-ND2 2.98Å; R813-N849 PolarHBondContact NH2-OD1 3.01Å; D845-N849 WeakPolarHBondContact O-CB 3.37Å; D845-N849 PolarHBondContact O-N 2.95Å; D845-N849 PolarHBondContact O-ND2 3.11Å; D845-N849 VanDerWaalsContact O-ND2 3.15Å; D845-N849 PolarHBondContact OD1-ND2 3.39Å; D845-N849 VanDerWaalsContact OD1-ND2 3.14Å; D845-N849 PolarHBondContact OD1-OD1 3.19Å; D845-N849 PolarHBondContact OD2-ND2 3.47Å; M846-N849 PolarHBondContact O-N 3.05Å; V847-N849 VanDerWaalsContact C-N 3.34Å; V847-N849 PolarHBondContact O-N 3.45Å; N849-K853 VanDerWaalsContact O-CD 3.23Å; N849-K853 WeakPolarHBondContact O-CD 3.46Å; N849-K853 WeakPolarHBondContact O-CE 3.41Å; N849-K853 WeakPolarHBondContact O-CG 3.42Å; N849-K853 PolarHBondContact O-N 3.41Å
850	R	88.1	Confident	88.7	Confident	52 Å²	52	36.2 Å²	36.2	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-66.8	-43.9	170.3	-73.3	170.7	175.4	-175	-4.9	111.2	E694 M846 V847 A852 K853 V855 T863	E694-R850 PolarHBondContact O-NH2 3.4Å; M846-R850 WeakPolarHBondContact O-CB 3.27Å; M846-R850 VanDerWaalsContact O-CG 3.29Å; M846-R850 WeakPolarHBondContact O-CG 3.28Å; M846-R850 PolarHBondContact O-N 2.85Å; V847-R850 PolarHBondContact O-N 3.39Å; R850-A852 PolarHBondContact O-N 2.99Å; R850-K853 PolarHBondContact O-N 3.16Å; R850-V855 HydrophobicContact CB-CB 4.23Å; R850-V855 HydrophobicContact CB-CG2 4.12Å; R850-V855 WeakPolarHBondContact O-CB 3.28Å; R850-V855 WeakPolarHBondContact O-CG2 3.33Å; R850-V855 PolarHBondContact O-N 2.8Å; R850-T863 PolarHBondContact NH1-OG1 3.32Å; R850-T863 VanDerWaalsContact NH1-OG1 3.08Å
851	M	85.3	Confident	88.5	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-55.4	-50.8	172.4	-69.8	176	178.8	0	0	112.4	I617 V847 L848 K853 G854 I858 V888 V892	I617-M851 HydrophobicContact CD1-CE 4.31Å; I617-M851 HydrophobicContact CD1-CG 4.26Å; I617-M851 HydrophobicContact CG2-CE 3.39Å; I617-M851 HydrophobicContact CG2-SD 4.26Å; V847-M851 HydrophobicContact CG1-CE 3.71Å; V847-M851 HydrophobicContact CG1-SD 4.47Å; V847-M851 WeakPolarHBondContact O-CG 3.47Å; V847-M851 PolarHBondContact O-N 3.24Å; L848-M851 HydrophobicContact CD2-SD 3.81Å; M851-K853 PolarHBondContact O-N 3.27Å; M851-K853 VanDerWaalsContact O-N 3.12Å; M851-G854 PolarHBondContact O-N 3.21Å; M851-I858 HydrophobicContact CB-CD1 4.27Å; M851-I858 HydrophobicContact CE-CD1 3.59Å; M851-I858 HydrophobicContact CE-CG2 4.19Å; M851-I858 HydrophobicContact CG-CD1 3.15Å; M851-I858 HydrophobicContact SD-CD1 4.24Å; M851-V888 HydrophobicContact CE-CG1 3.38Å; M851-V888 HydrophobicContact SD-CG1 3.93Å; M851-V892 HydrophobicContact CE-CG2 4.02Å; M851-V892 HydrophobicContact SD-CG2 3.39Å; M851-V892 WeakPolarHBondContact SD-CG2 3.4Å
852	A	84.5	Confident	88.4	Confident	46 Å²	46	38.7 Å²	38.7	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-19	-178.5	0	0	0	0	0	114	L848 R850	L848-A852 WeakPolarHBondContact O-CB 3.38Å; L848-A852 PolarHBondContact O-N 3.22Å; R850-A852 PolarHBondContact O-N 2.99Å
853	K	84.3	Confident	88.2	Confident	119 Å²	119	39.1 Å²	39.1	52%	0.517	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.6	174.3	-67.3	163.7	-167.3	172.7	0	113.6	E694 N849 R850 M851	E694-K853 IonicContact OE1-NZ 2.64Å; E694-K853 PolarHBondContact OE1-NZ 2.93Å; E694-K853 IonicContact OE2-NZ 3.6Å; E694-K853 PolarHBondContact OE2-NZ 2.64Å; N849-K853 VanDerWaalsContact O-CD 3.23Å; N849-K853 WeakPolarHBondContact O-CD 3.46Å; N849-K853 WeakPolarHBondContact O-CE 3.41Å; N849-K853 WeakPolarHBondContact O-CG 3.42Å; N849-K853 PolarHBondContact O-N 3.41Å; R850-K853 PolarHBondContact O-N 3.16Å; M851-K853 PolarHBondContact O-N 3.27Å; M851-K853 VanDerWaalsContact O-N 3.12Å
854	G	79.9	Confident	88.2	Confident	34 Å²	34	39.1 Å²	39.1	35%	0.351	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	17.6	179.4	0	0	0	0	0	115	M851 K856	M851-G854 PolarHBondContact O-N 3.21Å; G854-K856 PolarHBondContact O-N 2.79Å
855	V	83.1	Confident	88.2	Confident	63 Å²	63	41.7 Å²	41.7	38%	0.382	22%	0.224	S	C	.	.			trans	-69.8	118.2	171.3	-178.8	0	0	0	0	108.8	R850 E857 I858	R850-V855 HydrophobicContact CB-CB 4.23Å; R850-V855 HydrophobicContact CB-CG2 4.12Å; R850-V855 WeakPolarHBondContact O-CB 3.28Å; R850-V855 WeakPolarHBondContact O-CG2 3.33Å; R850-V855 PolarHBondContact O-N 2.8Å; V855-E857 WeakPolarHBondContact CG1-O 3.48Å; V855-I858 HydrophobicContact CG1-CG1 4.23Å
856	K	70.9	Confident	88.2	Confident	119 Å²	119	44.5 Å²	44.5	52%	0.517	24%	0.237	S	C	.	.			trans	-88.6	-30.2	-172.3	-59.5	-165.3	174.6	-163	0	114.6	T613 M616 G854	T613-K856 HydrophobicContact CG2-CB 4.24Å; T613-K856 HydrophobicContact CG2-CG 4.12Å; M616-K856 WeakPolarHBondContact CE-O 3.3Å; G854-K856 PolarHBondContact O-N 2.79Å
857	E	71.9	Confident	88.3	Confident	175 Å²	175	44.5 Å²	44.5	82%	0.818	24%	0.237	S	C	*	.			trans	-108.1	123.2	-178.2	-70.7	172	-164.2	0	0	109	V855	V855-E857 WeakPolarHBondContact CG1-O 3.48Å
858	I	82.3	Confident	88.5	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.128	24%	0.242	C	C	.	.			trans	-138.7	100.2	-167.7	-64.7	-176.6	0	0	0	109.5	I617 Y620 V847 M851 V855	I617-I858 HydrophobicContact CD1-CD1 4.13Å; Y620-I858 WeakPolarHBondContact CE1-O 3.42Å; V847-I858 HydrophobicContact CG1-CG2 3.74Å; M851-I858 HydrophobicContact CB-CD1 4.27Å; M851-I858 HydrophobicContact CE-CD1 3.59Å; M851-I858 HydrophobicContact CE-CG2 4.19Å; M851-I858 HydrophobicContact CG-CD1 3.15Å; M851-I858 HydrophobicContact SD-CD1 4.24Å; V855-I858 HydrophobicContact CG1-CG1 4.23Å
859	D	89.3	Confident	88.8	Confident	72 Å²	72	47.7 Å²	47.7	39%	0.385	25%	0.253	S	S	.	.			trans	-92.1	117.9	165.4	-167.6	-40.3	0	0	0	109.6	A861 A862 T863	D859-A861 WeakPolarHBondContact OD1-CA 3.45Å; D859-A861 WeakPolarHBondContact OD1-CB 3.37Å; D859-A861 PolarHBondContact OD1-N 3.14Å; D859-A862 HydrophobicContact CB-CB 3.89Å; D859-A862 PolarHBondContact OD1-N 2.66Å; D859-T863 VanDerWaalsContact O-CB 3.31Å; D859-T863 WeakPolarHBondContact O-CB 3.48Å; D859-T863 PolarHBondContact O-N 2.67Å; D859-T863 VanDerWaalsContact O-N 3.09Å; D859-T863 PolarHBondContact O-OG1 3.1Å
860	I	91.9	Very high	89.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-83.2	-22.8	178.9	-169.2	160.1	0	0	0	112.8	M621 L843 V847 L864 F881 A884 L885 V888	M621-I860 HydrophobicContact CE-CD1 4.01Å; L843-I860 HydrophobicContact CD1-CG1 3.98Å; L843-I860 HydrophobicContact CD2-CD1 4.39Å; L843-I860 HydrophobicContact CD2-CG1 4.04Å; L843-I860 HydrophobicContact CG-CD1 4.39Å; L843-I860 HydrophobicContact CG-CG1 4.1Å; V847-I860 HydrophobicContact CG2-CD1 4.37Å; V847-I860 HydrophobicContact CG2-CG1 4.19Å; I860-L864 WeakPolarHBondContact O-CB 3.37Å; I860-L864 PolarHBondContact O-N 3.06Å; I860-L864 VanDerWaalsContact O-N 3.13Å; I860-F881 HydrophobicContact CG1-CE2 4.27Å; I860-F881 HydrophobicContact CG2-CE2 4.35Å; I860-F881 HydrophobicContact CG2-CZ 4.14Å; I860-A884 HydrophobicContact CD1-CB 4.49Å; I860-L885 HydrophobicContact CD1-CD1 3.92Å; I860-L885 HydrophobicContact CD1-CG 4.09Å; I860-L885 HydrophobicContact CG1-CD1 4.35Å; I860-L885 HydrophobicContact CG2-CD1 3.8Å; I860-L885 HydrophobicContact CG2-CD2 4.34Å; I860-L885 HydrophobicContact CG2-CG 3.96Å; I860-V888 HydrophobicContact CD1-CG2 4.42Å
861	A	93.6	Very high	89.5	Confident	11 Å²	11	44.5 Å²	44.5	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-72.7	-51.8	170.6	0	0	0	0	0	109.8	L638 D859 T863 L864 E865 F881	L638-A861 HydrophobicContact CD1-CB 4.25Å; D859-A861 WeakPolarHBondContact OD1-CA 3.45Å; D859-A861 WeakPolarHBondContact OD1-CB 3.37Å; D859-A861 PolarHBondContact OD1-N 3.14Å; A861-T863 VanDerWaalsContact C-N 3.28Å; A861-T863 PolarHBondContact O-N 2.99Å; A861-L864 CarbonylContact O-C 3.54Å; A861-L864 WeakPolarHBondContact O-CA 3.41Å; A861-L864 WeakPolarHBondContact O-CB 3.34Å; A861-L864 PolarHBondContact O-N 3.14Å; A861-E865 WeakPolarHBondContact O-CG 3.47Å; A861-E865 PolarHBondContact O-N 3.26Å; A861-F881 HydrophobicContact CB-CZ 4.15Å
862	A	94.1	Very high	90.1	Very high	44 Å²	44	45.5 Å²	45.5	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-33.4	175.8	0	0	0	0	0	112.5	D859 L864 E865 H866	D859-A862 HydrophobicContact CB-CB 3.89Å; D859-A862 PolarHBondContact OD1-N 2.66Å; A862-L864 VanDerWaalsContact C-N 3.31Å; A862-L864 PolarHBondContact O-N 3.04Å; A862-E865 PolarHBondContact O-N 3.29Å; A862-H866 WeakPolarHBondContact O-CB 3.33Å; A862-H866 PolarHBondContact O-N 3.26Å
863	T	95.1	Very high	90.5	Very high	9 Å²	9	45 Å²	45	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-32.5	170.9	-61	0	0	0	0	112.2	L843 M846 V847 R850 D859 A861 V867	L843-T863 HydrophobicContact CD1-CG2 3.78Å; M846-T863 HydrophobicContact CG-CG2 4.3Å; M846-T863 HydrophobicContact SD-CG2 3.85Å; V847-T863 HydrophobicContact CG2-CG2 3.88Å; R850-T863 PolarHBondContact NH1-OG1 3.32Å; R850-T863 VanDerWaalsContact NH1-OG1 3.08Å; D859-T863 VanDerWaalsContact O-CB 3.31Å; D859-T863 WeakPolarHBondContact O-CB 3.48Å; D859-T863 PolarHBondContact O-N 2.67Å; D859-T863 VanDerWaalsContact O-N 3.09Å; D859-T863 PolarHBondContact O-OG1 3.1Å; A861-T863 VanDerWaalsContact C-N 3.28Å; A861-T863 PolarHBondContact O-N 2.99Å; T863-V867 VanDerWaalsContact O-CG2 3.32Å; T863-V867 WeakPolarHBondContact O-CG2 3.26Å; T863-V867 PolarHBondContact O-N 2.91Å
864	L	96.9	Very high	91.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.3	-35.8	173.7	-179.9	55.3	0	0	0	112.3	L638 L843 I860 A861 A862 V867 R868 M874 V875 F881	L638-L864 HydrophobicContact CD1-CD2 4.01Å; L638-L864 HydrophobicContact CD2-CB 4.31Å; L638-L864 HydrophobicContact CD2-CD2 4.12Å; L638-L864 HydrophobicContact CD2-CG 4.16Å; L843-L864 HydrophobicContact CD1-CB 4.1Å; L843-L864 HydrophobicContact CD2-CB 4.23Å; L843-L864 HydrophobicContact CD2-CD1 4.34Å; L843-L864 HydrophobicContact CD2-CD2 4.36Å; I860-L864 WeakPolarHBondContact O-CB 3.37Å; I860-L864 PolarHBondContact O-N 3.06Å; I860-L864 VanDerWaalsContact O-N 3.13Å; A861-L864 CarbonylContact O-C 3.54Å; A861-L864 WeakPolarHBondContact O-CA 3.41Å; A861-L864 WeakPolarHBondContact O-CB 3.34Å; A861-L864 PolarHBondContact O-N 3.14Å; A862-L864 VanDerWaalsContact C-N 3.31Å; A862-L864 PolarHBondContact O-N 3.04Å; L864-V867 PolarHBondContact O-N 3.21Å; L864-R868 HydrophobicContact CD1-CG 4.28Å; L864-R868 WeakPolarHBondContact O-CB 3.37Å; L864-R868 VanDerWaalsContact O-CG 3.31Å; L864-R868 WeakPolarHBondContact O-CG 3.28Å; L864-R868 PolarHBondContact O-N 3Å; L864-M874 HydrophobicContact CD1-CB 4.48Å; L864-V875 HydrophobicContact CD1-CB 3.86Å; L864-V875 HydrophobicContact CD1-CG2 3.55Å; L864-V875 HydrophobicContact CD2-CB 3.9Å; L864-V875 HydrophobicContact CD2-CG1 4.25Å; L864-V875 HydrophobicContact CD2-CG2 4.17Å; L864-F881 HydrophobicContact CB-CE2 4.5Å; L864-F881 HydrophobicContact CD2-CD2 3.69Å; L864-F881 HydrophobicContact CD2-CE2 3.88Å
865	E	96.5	Very high	91.9	Very high	57 Å²	57	37.8 Å²	37.8	27%	0.266	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-51.6	171.8	-68.3	-179.9	165.6	0	0	110.9	L638 Y641 A861 A862 V867 R868 D869	L638-E865 HydrophobicContact CD2-CG 3.65Å; Y641-E865 HydrophobicContact CD2-CB 4.17Å; Y641-E865 VanDerWaalsContact CD2-CD 3.41Å; Y641-E865 HydrophobicContact CD2-CG 3.53Å; Y641-E865 VanDerWaalsContact CD2-OE1 3.31Å; Y641-E865 WeakPolarHBondContact CD2-OE1 3.34Å; Y641-E865 HydrophobicContact CE1-CB 4.26Å; Y641-E865 HydrophobicContact CE1-CG 4.49Å; Y641-E865 HydrophobicContact CE2-CB 3.65Å; Y641-E865 VanDerWaalsContact CE2-CD 3.4Å; Y641-E865 HydrophobicContact CE2-CG 3.51Å; Y641-E865 HydrophobicContact CG-CG 4.05Å; A861-E865 WeakPolarHBondContact O-CG 3.47Å; A861-E865 PolarHBondContact O-N 3.26Å; A862-E865 PolarHBondContact O-N 3.29Å; E865-V867 PolarHBondContact O-N 2.99Å; E865-V867 VanDerWaalsContact O-N 3.1Å; E865-R868 CarbonylContact O-C 3.56Å; E865-R868 WeakPolarHBondContact O-CA 3.32Å; E865-R868 WeakPolarHBondContact O-CB 3.44Å; E865-R868 PolarHBondContact O-N 2.83Å; E865-D869 PolarHBondContact O-N 2.67Å
866	H	95.3	Very high	92.4	Very high	60 Å²	60	41 Å²	41	28%	0.278	21%	0.21	S	C	.	.	H	α-helix	trans	-56.1	-28.2	173.2	171.3	84.7	0	0	0	114.1	I693 A862 Q870	I693-H866 PolarHBondContact O-NE2 3.33Å; A862-H866 WeakPolarHBondContact O-CB 3.33Å; A862-H866 PolarHBondContact O-N 3.26Å; H866-Q870 PolarHBondContact NE2-NE2 3.46Å; H866-Q870 PolarHBondContact O-NE2 3.01Å
867	V	97	Very high	93.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-81.2	-33.3	173	169.2	0	0	0	0	111.4	I692 I842 M846 T863 L864 E865 Q870 R871 M874	I692-V867 HydrophobicContact CG2-CG2 4.46Å; I842-V867 HydrophobicContact CG2-CG2 4.34Å; M846-V867 HydrophobicContact CE-CG2 3.7Å; M846-V867 HydrophobicContact SD-CG2 4.04Å; T863-V867 VanDerWaalsContact O-CG2 3.32Å; T863-V867 WeakPolarHBondContact O-CG2 3.26Å; T863-V867 PolarHBondContact O-N 2.91Å; L864-V867 PolarHBondContact O-N 3.21Å; E865-V867 PolarHBondContact O-N 2.99Å; E865-V867 VanDerWaalsContact O-N 3.1Å; V867-Q870 PolarHBondContact O-N 2.9Å; V867-R871 PolarHBondContact O-N 2.74Å; V867-R871 VanDerWaalsContact O-N 3.13Å; V867-M874 HydrophobicContact CG1-CB 3.8Å; V867-M874 HydrophobicContact CG1-CE 3.47Å; V867-M874 VanDerWaalsContact CG1-CE 3.47Å; V867-M874 HydrophobicContact CG1-CG 3.9Å
868	R	97.4	Very high	94.7	Very high	24 Å²	24	31.3 Å²	31.3	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-73.6	-25	175.9	-76	174.2	171.5	-162.6	1	113.6	L638 Y641 Y668 L864 E865 Q870 R871 M874 V875	L638-R868 PolarHBondContact O-NH1 3.21Å; Y641-R868 HydrophobicContact CD1-CB 4.34Å; Y641-R868 HydrophobicContact CE1-CB 4.39Å; Y668-R868 WeakPolarHBondContact CE2-O 3.45Å; Y668-R868 PolarHBondContact OH-O 3.16Å; Y668-R868 VanDerWaalsContact OH-O 3.13Å; L864-R868 HydrophobicContact CD1-CG 4.28Å; L864-R868 WeakPolarHBondContact O-CB 3.37Å; L864-R868 VanDerWaalsContact O-CG 3.31Å; L864-R868 WeakPolarHBondContact O-CG 3.28Å; L864-R868 PolarHBondContact O-N 3Å; E865-R868 CarbonylContact O-C 3.56Å; E865-R868 WeakPolarHBondContact O-CA 3.32Å; E865-R868 WeakPolarHBondContact O-CB 3.44Å; E865-R868 PolarHBondContact O-N 2.83Å; R868-Q870 PolarHBondContact O-N 3.44Å; R868-R871 WeakPolarHBondContact CA-O 3.14Å; R868-R871 CarbonylContact O-C 3.55Å; R868-M874 HydrophobicContact CG-CB 4.1Å; R868-M874 PolarHBondContact NE-O 3.26Å; R868-M874 PolarHBondContact NH2-O 2.99Å; R868-V875 PolarHBondContact NH2-O 3.31Å
869	D	96.8	Very high	95.3	Very high	49 Å²	49	34 Å²	34	26%	0.262	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.7	167.3	-73.9	-40.5	0	0	0	114	Y641 A643 Y668 H670 E865	Y641-D869 PolarHBondContact OH-OD1 3.18Å; Y641-D869 VanDerWaalsContact OH-OD1 3.06Å; Y641-D869 PolarHBondContact OH-OD2 3.1Å; A643-D869 HydrophobicContact CB-CB 4.48Å; A643-D869 VanDerWaalsContact CB-OD1 3.26Å; A643-D869 WeakPolarHBondContact CB-OD1 3.31Å; Y668-D869 WeakPolarHBondContact CE2-O 3.5Å; H670-D869 PolarHBondContact NE2-O 3.39Å; E865-D869 PolarHBondContact O-N 2.67Å
870	Q	97.1	Very high	95.6	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.093	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-24.7	-172.2	-59.5	-177.6	77.4	0	0	112.1	S671 S690 I692 I693 H866 V867 R868	S671-Q870 VanDerWaalsContact CB-O 3.28Å; S671-Q870 WeakPolarHBondContact CB-O 3.49Å; S671-Q870 PolarHBondContact OG-O 3.04Å; S690-Q870 WeakPolarHBondContact CB-O 3.16Å; S690-Q870 PolarHBondContact OG-O 3.09Å; I692-Q870 HydrophobicContact CD1-CB 3.67Å; I693-Q870 PolarHBondContact O-NE2 2.74Å; H866-Q870 PolarHBondContact NE2-NE2 3.46Å; H866-Q870 PolarHBondContact O-NE2 3.01Å; V867-Q870 PolarHBondContact O-N 2.9Å; R868-Q870 PolarHBondContact O-N 3.44Å
871	R	97.4	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-150.9	128.5	167.1	-173.9	170.7	174.9	79.3	2.3	110.2	N688 S690 I692 D833 G834 T835 V867 R868 M874	N688-R871 PolarHBondContact OD1-NH1 2.99Å; N688-R871 PolarHBondContact OD1-NH2 3.44Å; S690-R871 WeakPolarHBondContact OG-CG 3.26Å; S690-R871 PolarHBondContact OG-NH1 3.31Å; I692-R871 HydrophobicContact CD1-CB 4.09Å; D833-R871 PolarHBondContact O-NH2 3.29Å; G834-R871 PolarHBondContact O-NE 3.47Å; T835-R871 HydrophobicContact CG2-CG 4.24Å; V867-R871 PolarHBondContact O-N 2.74Å; V867-R871 VanDerWaalsContact O-N 3.13Å; R868-R871 WeakPolarHBondContact CA-O 3.14Å; R868-R871 CarbonylContact O-C 3.55Å; R871-M874 HydrophobicContact CB-CG 3.79Å; R871-M874 HydrophobicContact CB-SD 4.11Å; R871-M874 HydrophobicContact CG-CG 4.19Å; R871-M874 HydrophobicContact CG-SD 4.16Å; R871-M874 WeakPolarHBondContact O-CG 3.42Å
872	P	96.3	Very high	95.8	Very high	27 Å²	27	33.4 Å²	33.4	18%	0.175	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	151.4	-178.7	26.2	-33.2	0	0	0	111.8	V666 Y668 T835 M874	V666-P872 VanDerWaalsContact O-CD 3.25Å; V666-P872 WeakPolarHBondContact O-CD 3.47Å; V666-P872 WeakPolarHBondContact O-CG 3.15Å; Y668-P872 HydrophobicContact CD1-CG 4.33Å; Y668-P872 HydrophobicContact CE1-CB 3.85Å; Y668-P872 HydrophobicContact CE1-CG 3.89Å; Y668-P872 HydrophobicContact CE2-CB 4.47Å; Y668-P872 WeakPolarHBondContact OH-CB 3.28Å; T835-P872 VanDerWaalsContact CG2-O 3.31Å; T835-P872 WeakPolarHBondContact CG2-O 3.26Å; P872-M874 PolarHBondContact O-N 3.04Å
873	G	93.5	Very high	95.9	Very high	37 Å²	37	31.7 Å²	31.7	38%	0.381	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	11.3	171.3	0	0	0	0	0	116	V875 R876	G873-V875 PolarHBondContact O-N 2.99Å; G873-R876 VanDerWaalsContact O-CG 3.26Å; G873-R876 WeakPolarHBondContact O-CG 3.17Å
874	M	97	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-58.4	132.8	175.6	-68.5	-77.5	-94.1	0	0	110.7	I692 A704 T835 T838 I842 L864 V867 R868 R871 P872	I692-M874 HydrophobicContact CD1-CE 4.2Å; I692-M874 HydrophobicContact CG1-CE 4.4Å; A704-M874 HydrophobicContact CB-CE 3.92Å; A704-M874 HydrophobicContact CB-SD 4.5Å; T835-M874 WeakPolarHBondContact O-CA 3.2Å; T838-M874 HydrophobicContact CG2-CE 4.37Å; T838-M874 HydrophobicContact CG2-SD 4.49Å; I842-M874 HydrophobicContact CD1-CE 4.03Å; L864-M874 HydrophobicContact CD1-CB 4.48Å; V867-M874 HydrophobicContact CG1-CB 3.8Å; V867-M874 HydrophobicContact CG1-CE 3.47Å; V867-M874 VanDerWaalsContact CG1-CE 3.47Å; V867-M874 HydrophobicContact CG1-CG 3.9Å; R868-M874 HydrophobicContact CG-CB 4.1Å; R868-M874 PolarHBondContact NE-O 3.26Å; R868-M874 PolarHBondContact NH2-O 2.99Å; R871-M874 HydrophobicContact CB-CG 3.79Å; R871-M874 HydrophobicContact CB-SD 4.11Å; R871-M874 HydrophobicContact CG-CG 4.19Å; R871-M874 HydrophobicContact CG-SD 4.16Å; R871-M874 WeakPolarHBondContact O-CG 3.42Å; P872-M874 PolarHBondContact O-N 3.04Å
875	V	96.8	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	56.6	102.5	-165.1	-175.7	0	0	0	0	110.9	W635 T835 L843 L864 R868 G873 Q880 F881	W635-V875 HydrophobicContact CH2-CG1 4.5Å; W635-V875 HydrophobicContact CZ3-CG1 4.15Å; T835-V875 PolarHBondContact O-N 2.93Å; L843-V875 HydrophobicContact CD2-CG2 4.09Å; L864-V875 HydrophobicContact CD1-CB 3.86Å; L864-V875 HydrophobicContact CD1-CG2 3.55Å; L864-V875 HydrophobicContact CD2-CB 3.9Å; L864-V875 HydrophobicContact CD2-CG1 4.25Å; L864-V875 HydrophobicContact CD2-CG2 4.17Å; R868-V875 PolarHBondContact NH2-O 3.31Å; G873-V875 PolarHBondContact O-N 2.99Å; V875-Q880 HydrophobicContact CG1-CB 3.78Å; V875-F881 HydrophobicContact CG1-CB 4.04Å
876	R	93.8	Very high	95.6	Very high	131 Å²	131	30.8 Å²	30.8	49%	0.494	16%	0.159	S	C	.	.			trans	-92.8	-20	-166.5	-74.2	-173.9	68.2	-171.8	1.6	115.2	D833 G873	D833-R876 WeakPolarHBondContact OD2-CD 3.22Å; D833-R876 IonicContact OD2-CZ 2.74Å; D833-R876 IonicContact OD2-NE 3.9Å; D833-R876 IonicContact OD2-NH1 3.94Å; D833-R876 PolarHBondContact OD2-NH1 2.69Å; G873-R876 VanDerWaalsContact O-CG 3.26Å; G873-R876 WeakPolarHBondContact O-CG 3.17Å
877	T	95.2	Very high	95.6	Very high	50 Å²	50	27.9 Å²	27.9	31%	0.307	15%	0.146	S	C	.	.	S	Bend	trans	-132.9	154.9	-178.4	69.1	0	0	0	0	112.1	W635 D879 Q880 F881	W635-T877 VanDerWaalsContact CZ2-C 3.42Å; T877-D879 PolarHBondContact O-N 3.15Å; T877-Q880 WeakPolarHBondContact O-CB 3.44Å; T877-Q880 PolarHBondContact O-N 2.67Å; T877-Q880 VanDerWaalsContact O-N 3.1Å; T877-Q880 WeakPolarHBondContact OG1-CG 3.47Å; T877-Q880 PolarHBondContact OG1-N 3.25Å; T877-F881 PolarHBondContact O-N 2.67Å
878	K	94.4	Very high	95.5	Very high	40 Å²	40	27.9 Å²	27.9	17%	0.174	15%	0.146	C	C	.	.	H	α-helix	trans	-55	-41	172.9	-177.1	176.8	176.1	-71.8	0	111.3	L632 W635 Q880 F881 E882	L632-K878 HydrophobicContact CD2-CD 3.88Å; W635-K878 HydrophobicContact CB-CG 4.33Å; W635-K878 HydrophobicContact CD2-CB 3.92Å; W635-K878 HydrophobicContact CD2-CG 4.4Å; W635-K878 HydrophobicContact CG-CB 3.87Å; W635-K878 HydrophobicContact CG-CD 4.4Å; W635-K878 HydrophobicContact CG-CG 4.02Å; K878-Q880 VanDerWaalsContact C-N 3.28Å; K878-Q880 PolarHBondContact O-N 3.31Å; K878-F881 WeakPolarHBondContact O-CA 3.27Å; K878-F881 WeakPolarHBondContact O-CB 3.34Å; K878-F881 PolarHBondContact O-N 3.44Å; K878-E882 IonicContact NZ-OE2 3.22Å; K878-E882 PolarHBondContact NZ-OE2 2.77Å; K878-E882 WeakPolarHBondContact O-CB 3.17Å; K878-E882 PolarHBondContact O-N 2.84Å
879	D	94.9	Very high	95.2	Very high	82 Å²	82	27.2 Å²	27.2	44%	0.439	15%	0.145	S	C	.	.	H	α-helix	trans	-60.3	-38	179.5	-45	-21.1	0	0	0	111.7	I802 T877 F883	I802-D879 HydrophobicContact CD1-CB 4.34Å; I802-D879 HydrophobicContact CG2-CB 4.13Å; T877-D879 PolarHBondContact O-N 3.15Å; D879-F883 WeakPolarHBondContact O-CB 2.93Å; D879-F883 PolarHBondContact O-N 3.02Å
880	Q	95.9	Very high	95.1	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-36.6	174.6	-73.8	170.8	4.9	0	0	112.1	I802 T840 V875 T877 K878 A884	I802-Q880 HydrophobicContact CG2-CG 3.98Å; T840-Q880 HydrophobicContact CG2-CB 4.31Å; T840-Q880 WeakPolarHBondContact CG2-O 3.43Å; V875-Q880 HydrophobicContact CG1-CB 3.78Å; T877-Q880 WeakPolarHBondContact O-CB 3.44Å; T877-Q880 PolarHBondContact O-N 2.67Å; T877-Q880 VanDerWaalsContact O-N 3.1Å; T877-Q880 WeakPolarHBondContact OG1-CG 3.47Å; T877-Q880 PolarHBondContact OG1-N 3.25Å; K878-Q880 VanDerWaalsContact C-N 3.28Å; K878-Q880 PolarHBondContact O-N 3.31Å; Q880-A884 WeakPolarHBondContact O-CB 3.39Å; Q880-A884 PolarHBondContact O-N 3.34Å
881	F	95.3	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.8	-48.6	174.4	-172.2	-121.1	0	0	0	111.6	L631 W635 L638 L843 I860 A861 L864 V875 T877 K878 F883 A884 L885	L631-F881 HydrophobicContact CD1-CD1 3.74Å; L631-F881 HydrophobicContact CD1-CE1 3.76Å; W635-F881 HydrophobicContact CE3-CB 3.84Å; W635-F881 HydrophobicContact CE3-CD1 4.17Å; W635-F881 HydrophobicContact CE3-CG 4.1Å; W635-F881 HydrophobicContact CZ3-CB 3.91Å; W635-F881 HydrophobicContact CZ3-CG 4.41Å; L638-F881 HydrophobicContact CD1-CD1 4.47Å; L638-F881 HydrophobicContact CD1-CD2 4.5Å; L638-F881 HydrophobicContact CD1-CE1 4.01Å; L638-F881 HydrophobicContact CD1-CE2 4.03Å; L638-F881 HydrophobicContact CD1-CZ 3.77Å; L843-F881 HydrophobicContact CD2-CD2 4.11Å; L843-F881 HydrophobicContact CD2-CE2 4.32Å; I860-F881 HydrophobicContact CG1-CE2 4.27Å; I860-F881 HydrophobicContact CG2-CE2 4.35Å; I860-F881 HydrophobicContact CG2-CZ 4.14Å; A861-F881 HydrophobicContact CB-CZ 4.15Å; L864-F881 HydrophobicContact CB-CE2 4.5Å; L864-F881 HydrophobicContact CD2-CD2 3.69Å; L864-F881 HydrophobicContact CD2-CE2 3.88Å; V875-F881 HydrophobicContact CG1-CB 4.04Å; T877-F881 PolarHBondContact O-N 2.67Å; K878-F881 WeakPolarHBondContact O-CA 3.27Å; K878-F881 WeakPolarHBondContact O-CB 3.34Å; K878-F881 PolarHBondContact O-N 3.44Å; F881-F883 VanDerWaalsContact C-N 3.3Å; F881-F883 PolarHBondContact O-N 3.2Å; F881-A884 WeakPolarHBondContact O-CA 3.09Å; F881-A884 WeakPolarHBondContact O-CB 3.15Å; F881-A884 PolarHBondContact O-N 3.06Å; F881-L885 HydrophobicContact CD1-CD1 4.04Å; F881-L885 HydrophobicContact CD2-CD1 4.09Å; F881-L885 HydrophobicContact CE1-CD1 3.93Å; F881-L885 HydrophobicContact CE2-CD1 3.98Å; F881-L885 HydrophobicContact CG-CD1 4.11Å; F881-L885 HydrophobicContact CZ-CD1 3.9Å; F881-L885 WeakPolarHBondContact O-CD1 3.48Å; F881-L885 PolarHBondContact O-N 3.32Å
882	E	94.6	Very high	94.4	Very high	53 Å²	53	27 Å²	27	25%	0.248	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-38.4	176.1	-168.9	165.8	153.7	0	0	112	L625 L631 K878 L885 T886	L625-E882 HydrophobicContact CD2-CG 4.17Å; L631-E882 HydrophobicContact CD2-CB 4.08Å; L631-E882 HydrophobicContact CD2-CG 3.74Å; L631-E882 WeakPolarHBondContact CD2-OE2 3.48Å; K878-E882 IonicContact NZ-OE2 3.22Å; K878-E882 PolarHBondContact NZ-OE2 2.77Å; K878-E882 WeakPolarHBondContact O-CB 3.17Å; K878-E882 PolarHBondContact O-N 2.84Å; E882-L885 PolarHBondContact O-N 2.81Å; E882-T886 WeakPolarHBondContact O-CB 3.23Å; E882-T886 PolarHBondContact O-N 2.79Å; E882-T886 PolarHBondContact O-OG1 2.8Å
883	F	95.6	Very high	94.1	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.035	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-37.5	171.6	178.7	-98	0	0	0	112.8	W797 I802 P803 T806 L809 T840 I844 D879 F881 T886 A887	W797-F883 HydrophobicContact CH2-CD1 4.21Å; W797-F883 AromaticContact CH2-CE1 3.85Å; W797-F883 HydrophobicContact CH2-CE1 3.85Å; W797-F883 HydrophobicContact CZ2-CD1 4.49Å; W797-F883 HydrophobicContact CZ2-CE1 4.37Å; W797-F883 HydrophobicContact CZ3-CE1 4.3Å; I802-F883 HydrophobicContact CB-CB 4.26Å; I802-F883 HydrophobicContact CB-CD2 4.13Å; I802-F883 HydrophobicContact CB-CG 4.16Å; I802-F883 HydrophobicContact CD1-CB 3.89Å; I802-F883 HydrophobicContact CD1-CD2 4.09Å; I802-F883 HydrophobicContact CD1-CG 4.34Å; I802-F883 HydrophobicContact CG2-CB 3.93Å; I802-F883 HydrophobicContact CG2-CG 4.2Å; P803-F883 HydrophobicContact CB-CE2 3.98Å; P803-F883 HydrophobicContact CB-CZ 3.93Å; P803-F883 HydrophobicContact CG-CE1 4.31Å; P803-F883 HydrophobicContact CG-CE2 4.14Å; P803-F883 HydrophobicContact CG-CZ 3.7Å; P803-F883 WeakPolarHBondContact O-CE2 3.28Å; T806-F883 HydrophobicContact CG2-CD2 4.25Å; T806-F883 HydrophobicContact CG2-CE2 3.88Å; T806-F883 HydrophobicContact CG2-CZ 4.39Å; L809-F883 HydrophobicContact CD2-CE1 3.57Å; L809-F883 HydrophobicContact CD2-CZ 3.97Å; T840-F883 HydrophobicContact CG2-CD1 4.16Å; I844-F883 HydrophobicContact CD1-CD1 4.48Å; I844-F883 HydrophobicContact CD1-CE1 4.36Å; D879-F883 WeakPolarHBondContact O-CB 2.93Å; D879-F883 PolarHBondContact O-N 3.02Å; F881-F883 VanDerWaalsContact C-N 3.3Å; F881-F883 PolarHBondContact O-N 3.2Å; F883-T886 PolarHBondContact O-N 2.82Å; F883-A887 WeakPolarHBondContact O-CB 3.24Å; F883-A887 PolarHBondContact O-N 2.82Å
884	A	95.7	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-45.8	174.3	0	0	0	0	0	111.8	T840 L843 I844 I860 Q880 F881 T886 A887 V888	T840-A884 HydrophobicContact CG2-CB 4.22Å; L843-A884 HydrophobicContact CD2-CB 3.91Å; L843-A884 HydrophobicContact CG-CB 4.45Å; I844-A884 HydrophobicContact CD1-CB 4.26Å; I844-A884 HydrophobicContact CG1-CB 3.79Å; I860-A884 HydrophobicContact CD1-CB 4.49Å; Q880-A884 WeakPolarHBondContact O-CB 3.39Å; Q880-A884 PolarHBondContact O-N 3.34Å; F881-A884 WeakPolarHBondContact O-CA 3.09Å; F881-A884 WeakPolarHBondContact O-CB 3.15Å; F881-A884 PolarHBondContact O-N 3.06Å; A884-T886 VanDerWaalsContact C-N 3.32Å; A884-T886 PolarHBondContact O-N 2.85Å; A884-A887 PolarHBondContact O-N 2.9Å; A884-V888 WeakPolarHBondContact O-CG2 3.31Å; A884-V888 PolarHBondContact O-N 3.29Å
885	L	93.6	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-46.2	172.7	-83.7	81.4	0	0	0	111.4	M621 H624 L625 L631 I860 F881 E882 A887 V888 A889	M621-L885 HydrophobicContact CE-CB 4.04Å; M621-L885 HydrophobicContact CE-CG 3.89Å; H624-L885 HydrophobicContact CB-CD2 3.79Å; L625-L885 HydrophobicContact CD2-CB 3.83Å; L625-L885 HydrophobicContact CG-CB 4.3Å; L631-L885 HydrophobicContact CD1-CD1 4.5Å; L631-L885 HydrophobicContact CD1-CD2 4.21Å; I860-L885 HydrophobicContact CD1-CD1 3.92Å; I860-L885 HydrophobicContact CD1-CG 4.09Å; I860-L885 HydrophobicContact CG1-CD1 4.35Å; I860-L885 HydrophobicContact CG2-CD1 3.8Å; I860-L885 HydrophobicContact CG2-CD2 4.34Å; I860-L885 HydrophobicContact CG2-CG 3.96Å; F881-L885 HydrophobicContact CD1-CD1 4.04Å; F881-L885 HydrophobicContact CD2-CD1 4.09Å; F881-L885 HydrophobicContact CE1-CD1 3.93Å; F881-L885 HydrophobicContact CE2-CD1 3.98Å; F881-L885 HydrophobicContact CG-CD1 4.11Å; F881-L885 HydrophobicContact CZ-CD1 3.9Å; F881-L885 WeakPolarHBondContact O-CD1 3.48Å; F881-L885 PolarHBondContact O-N 3.32Å; E882-L885 PolarHBondContact O-N 2.81Å; L885-A887 PolarHBondContact O-N 3.5Å; L885-V888 PolarHBondContact O-N 3.4Å; L885-A889 WeakPolarHBondContact O-CB 3.33Å; L885-A889 PolarHBondContact O-N 3.15Å
886	T	94.3	Very high	92.9	Very high	47 Å²	47	30.8 Å²	30.8	29%	0.288	16%	0.158	S	C	.	.	H	α-helix	trans	-62.1	-42.6	179.5	-53.3	0	0	0	0	112.1	T806 E882 F883 A884 A889 E890	T806-T886 HydrophobicContact CG2-CG2 3.9Å; E882-T886 WeakPolarHBondContact O-CB 3.23Å; E882-T886 PolarHBondContact O-N 2.79Å; E882-T886 PolarHBondContact O-OG1 2.8Å; F883-T886 PolarHBondContact O-N 2.82Å; A884-T886 VanDerWaalsContact C-N 3.32Å; A884-T886 PolarHBondContact O-N 2.85Å; T886-A889 PolarHBondContact O-N 3.31Å; T886-E890 PolarHBondContact O-N 3.46Å
887	A	95.6	Very high	92.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-40.1	179.9	0	0	0	0	0	112.6	T806 L810 I844 F883 A884 L885 E891	T806-A887 HydrophobicContact CG2-CB 3.85Å; L810-A887 HydrophobicContact CD2-CB 4.34Å; I844-A887 HydrophobicContact CD1-CB 3.79Å; I844-A887 HydrophobicContact CG1-CB 4.18Å; I844-A887 HydrophobicContact CG2-CB 4.33Å; F883-A887 WeakPolarHBondContact O-CB 3.24Å; F883-A887 PolarHBondContact O-N 2.82Å; A884-A887 PolarHBondContact O-N 2.9Å; L885-A887 PolarHBondContact O-N 3.5Å; A887-E891 PolarHBondContact O-N 3.02Å; A887-E891 VanDerWaalsContact O-N 3.07Å
888	V	93.8	Very high	92	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-44	174.7	177.4	0	0	0	0	110.3	M621 I844 V847 L848 M851 I860 A884 L885 E891 V892	M621-V888 HydrophobicContact CE-CB 3.96Å; M621-V888 HydrophobicContact CE-CG1 4.02Å; M621-V888 HydrophobicContact SD-CB 3.78Å; M621-V888 HydrophobicContact SD-CG1 3.41Å; M621-V888 WeakPolarHBondContact SD-CG1 3.37Å; I844-V888 HydrophobicContact CG2-CG2 4.39Å; V847-V888 HydrophobicContact CB-CG2 4.24Å; V847-V888 HydrophobicContact CG1-CB 4.48Å; V847-V888 HydrophobicContact CG1-CG1 3.67Å; V847-V888 HydrophobicContact CG1-CG2 3.95Å; L848-V888 HydrophobicContact CD1-CG2 4.45Å; L848-V888 HydrophobicContact CD2-CB 4.46Å; L848-V888 HydrophobicContact CD2-CG1 3.9Å; L848-V888 HydrophobicContact CG-CG1 4.29Å; L848-V888 HydrophobicContact CG-CG2 4.2Å; M851-V888 HydrophobicContact CE-CG1 3.38Å; M851-V888 HydrophobicContact SD-CG1 3.93Å; I860-V888 HydrophobicContact CD1-CG2 4.42Å; A884-V888 WeakPolarHBondContact O-CG2 3.31Å; A884-V888 PolarHBondContact O-N 3.29Å; L885-V888 PolarHBondContact O-N 3.4Å; V888-E891 PolarHBondContact O-N 3.33Å; V888-V892 HydrophobicContact CG1-CG2 4.45Å; V888-V892 WeakPolarHBondContact O-CG2 3.18Å; V888-V892 PolarHBondContact O-N 3.11Å
889	A	92.2	Very high	91.1	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176.7	0	0	0	0	0	113.1	L618 M621 L625 L885 T886 N893	L618-A889 HydrophobicContact CD1-CB 4.36Å; L618-A889 WeakPolarHBondContact CD1-O 3.44Å; M621-A889 HydrophobicContact CB-CB 3.97Å; M621-A889 HydrophobicContact SD-CB 4.4Å; L625-A889 HydrophobicContact CD1-CB 4.38Å; L885-A889 WeakPolarHBondContact O-CB 3.33Å; L885-A889 PolarHBondContact O-N 3.15Å; T886-A889 PolarHBondContact O-N 3.31Å; A889-N893 WeakPolarHBondContact O-CB 3.44Å; A889-N893 PolarHBondContact O-N 2.7Å
890	E	93.1	Very high	89.8	Confident	57 Å²	57	35.1 Å²	35.1	27%	0.266	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-37.7	174.3	-87.9	-165.3	-89.7	0	0	112.4	T806 R807 L810 T886 A894	T806-E890 WeakPolarHBondContact CG2-OE1 3.48Å; T806-E890 PolarHBondContact OG1-OE1 3.22Å; R807-E890 IonicContact CZ-OE2 2.93Å; R807-E890 IonicContact NE-OE2 2.61Å; R807-E890 PolarHBondContact NE-OE2 3.34Å; R807-E890 IonicContact NH2-OE2 2.78Å; L810-E890 HydrophobicContact CD1-CB 4.03Å; T886-E890 PolarHBondContact O-N 3.46Å; E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 3.35Å
891	E	91.8	Very high	87.5	Confident	8 Å²	8	46 Å²	46	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-43.6	177.5	-169.2	78.2	153	0	0	112.3	L810 R813 R814 L848 A887 V888 N893 A894 I895	L810-E891 HydrophobicContact CD1-CB 4.11Å; L810-E891 HydrophobicContact CD2-CB 3.99Å; L810-E891 HydrophobicContact CD2-CG 4.43Å; R813-E891 IonicContact NH1-OE1 3.72Å; R814-E891 IonicContact CZ-OE1 2.65Å; R814-E891 IonicContact CZ-OE2 2.67Å; R814-E891 VanDerWaalsContact CZ-OE2 3.22Å; R814-E891 IonicContact NE-OE1 3.67Å; R814-E891 PolarHBondContact NE-OE1 2.97Å; R814-E891 VanDerWaalsContact NE-OE1 3.1Å; R814-E891 IonicContact NE-OE2 3.62Å; R814-E891 PolarHBondContact NE-OE2 3.1Å; R814-E891 VanDerWaalsContact NE-OE2 3.11Å; R814-E891 IonicContact NH2-OE1 3.31Å; R814-E891 IonicContact NH2-OE2 3.77Å; R814-E891 PolarHBondContact NH2-OE2 3.18Å; L848-E891 HydrophobicContact CD1-CB 3.97Å; L848-E891 HydrophobicContact CD1-CG 3.93Å; L848-E891 HydrophobicContact CD2-CB 3.78Å; L848-E891 HydrophobicContact CD2-CG 3.81Å; L848-E891 HydrophobicContact CG-CG 4.5Å; A887-E891 PolarHBondContact O-N 3.02Å; A887-E891 VanDerWaalsContact O-N 3.07Å; V888-E891 PolarHBondContact O-N 3.33Å; E891-N893 VanDerWaalsContact C-N 3.3Å; E891-N893 PolarHBondContact O-N 2.82Å; E891-A894 WeakPolarHBondContact O-CB 3.26Å; E891-A894 PolarHBondContact O-N 3.34Å; E891-A894 VanDerWaalsContact O-N 3.13Å; E891-I895 HydrophobicContact CG-CD1 4.12Å; E891-I895 WeakPolarHBondContact O-CG1 2.9Å; E891-I895 PolarHBondContact O-N 3.3Å
892	V	89.8	Confident	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.3	171.4	0	0	0	0	110.8	M609 G614 I617 L618 L848 M851 V888 A894 I895 L896	M609-V892 HydrophobicContact CE-CG1 4.32Å; G614-V892 WeakPolarHBondContact O-CG1 3.27Å; I617-V892 HydrophobicContact CG2-CG1 4.21Å; I617-V892 HydrophobicContact CG2-CG2 3.97Å; L618-V892 HydrophobicContact CB-CG1 4.19Å; L848-V892 HydrophobicContact CD2-CG2 4.43Å; M851-V892 HydrophobicContact CE-CG2 4.02Å; M851-V892 HydrophobicContact SD-CG2 3.39Å; M851-V892 WeakPolarHBondContact SD-CG2 3.4Å; V888-V892 HydrophobicContact CG1-CG2 4.45Å; V888-V892 WeakPolarHBondContact O-CG2 3.18Å; V888-V892 PolarHBondContact O-N 3.11Å; V892-A894 VanDerWaalsContact C-N 3.33Å; V892-A894 PolarHBondContact O-N 2.8Å; V892-I895 PolarHBondContact O-N 2.98Å; V892-L896 HydrophobicContact CG1-CD1 4.11Å; V892-L896 WeakPolarHBondContact O-CG 3.26Å; V892-L896 PolarHBondContact O-N 2.71Å
893	N	90.1	Very high	86.7	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-37.8	175.4	-165.3	-21.9	0	0	0	112	L618 A889 E891 K897	L618-N893 HydrophobicContact CD1-CB 3.96Å; L618-N893 HydrophobicContact CD2-CB 4.36Å; A889-N893 WeakPolarHBondContact O-CB 3.44Å; A889-N893 PolarHBondContact O-N 2.7Å; E891-N893 VanDerWaalsContact C-N 3.3Å; E891-N893 PolarHBondContact O-N 2.82Å; N893-K897 WeakPolarHBondContact O-CB 3.25Å; N893-K897 WeakPolarHBondContact O-CD 3.36Å; N893-K897 WeakPolarHBondContact O-CG 3.18Å; N893-K897 PolarHBondContact O-N 2.8Å; N893-K897 WeakPolarHBondContact OD1-CE 3.38Å; N893-K897 PolarHBondContact OD1-NZ 3.26Å
894	A	89.3	Confident	86.2	Confident	37 Å²	37	50.3 Å²	50.3	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-68.9	-39.5	174.7	0	0	0	0	0	112.8	E890 E891 V892 K897 A898	E890-A894 WeakPolarHBondContact O-CB 3.5Å; E890-A894 PolarHBondContact O-N 3.35Å; E891-A894 WeakPolarHBondContact O-CB 3.26Å; E891-A894 PolarHBondContact O-N 3.34Å; E891-A894 VanDerWaalsContact O-N 3.13Å; V892-A894 VanDerWaalsContact C-N 3.33Å; V892-A894 PolarHBondContact O-N 2.8Å; A894-K897 PolarHBondContact O-N 2.85Å; A894-A898 PolarHBondContact O-N 2.78Å
895	I	86.3	Confident	85.7	Confident	44 Å²	44	53.2 Å²	53.2	23%	0.226	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-49	175.7	-67.3	163.5	0	0	0	110.3	A607 M609 E891 V892 K897 A898 L899	A607-I895 HydrophobicContact CB-CG2 4.08Å; M609-I895 HydrophobicContact CE-CB 4.26Å; M609-I895 HydrophobicContact CE-CG2 3.74Å; E891-I895 HydrophobicContact CG-CD1 4.12Å; E891-I895 WeakPolarHBondContact O-CG1 2.9Å; E891-I895 PolarHBondContact O-N 3.3Å; V892-I895 PolarHBondContact O-N 2.98Å; I895-K897 PolarHBondContact O-N 2.97Å; I895-A898 PolarHBondContact O-N 2.97Å; I895-L899 PolarHBondContact O-N 2.98Å; I895-L899 VanDerWaalsContact O-N 3.16Å
896	L	85.4	Confident	85.2	Confident	18 Å²	18	56.6 Å²	56.6	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-57.2	-36.6	177.6	-74.9	169.5	0	0	0	112.9	M609 I611 L618 V892 A898	M609-L896 HydrophobicContact CE-CG 4.5Å; I611-L896 HydrophobicContact CG2-CD2 4.31Å; L618-L896 HydrophobicContact CD2-CD1 4.19Å; V892-L896 HydrophobicContact CG1-CD1 4.11Å; V892-L896 WeakPolarHBondContact O-CG 3.26Å; V892-L896 PolarHBondContact O-N 2.71Å; L896-A898 VanDerWaalsContact C-N 3.3Å; L896-A898 PolarHBondContact O-N 2.69Å
897	K	86.7	Confident	84.6	Confident	149 Å²	149	57.2 Å²	57.2	65%	0.648	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14	175.9	-77.1	168.4	174.9	153	0	114.6	N893 A894 I895	N893-K897 WeakPolarHBondContact O-CB 3.25Å; N893-K897 WeakPolarHBondContact O-CD 3.36Å; N893-K897 WeakPolarHBondContact O-CG 3.18Å; N893-K897 PolarHBondContact O-N 2.8Å; N893-K897 WeakPolarHBondContact OD1-CE 3.38Å; N893-K897 PolarHBondContact OD1-NZ 3.26Å; A894-K897 PolarHBondContact O-N 2.85Å; I895-K897 PolarHBondContact O-N 2.97Å
898	A	83.8	Confident	83.8	Confident	83 Å²	83	61.3 Å²	61.3	69%	0.686	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-11.7	178.7	0	0	0	0	0	113.1	A894 I895 L896	A894-A898 PolarHBondContact O-N 2.78Å; I895-A898 PolarHBondContact O-N 2.97Å; L896-A898 VanDerWaalsContact C-N 3.3Å; L896-A898 PolarHBondContact O-N 2.69Å
899	L	75.7	Confident	83	Confident	49 Å²	49	66 Å²	66	26%	0.257	36%	0.363	S	S	.	.	S	Bend	trans	-73.7	144	169.8	-67.6	173.5	0	0	0	110.1	I611 I895	I611-L899 HydrophobicContact CG1-CD1 3.69Å; I895-L899 PolarHBondContact O-N 2.98Å; I895-L899 VanDerWaalsContact O-N 3.16Å
900	P	67.4	Low	82.3	Confident	113 Å²	113	70.8 Å²	70.8	73%	0.734	39%	0.387	S	S	*	.			trans	-63.1	139	170.5	28.2	-33.8	0	0	0	110
901	Q	48	Very low	81.3	Confident	246 Å²	246	72 Å²	72	100%	1.15	40%	0.398	S	S	*	.			trans	-91.2	0	179.9	-63.2	-175.3	-13.5	0	0	111.3

Retrieved 901 of 901 residues in 175.5 ms (Link to these results)

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