A0A087Y8S2_POEFO Loading...

Zinc finger and BTB domain containing 21

AlphaFold DB , UniProt , Accession A0A087Y8S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,016 aa.

						>A0A087Y8S2_POEFO|A0A087Y8S2
MAMESLVHYSNPSHALSVLGLLNEQRLRGQMCDVVLIVSDQRYQAHKSVLAASSEYFQSLFTRMDGDSLRVVNLDFCEPDAFEIVLNYIYSSSLFVDKGSLAAIQELGYSLGIPFLTNIVSTRPHASYCVSRKRLSYSEGDENDAQTRSVIVCRVQNNTAHPSHSNYQGKTSERSPSPYSPRGAAQLLSEHNSHESVKNSETSGKSSEQSKPPERKSRYPYSTILKENLSHIKSVRPQLTSSVSFSDADVQHISLQSGSDQETKEEIEELDYRYRNNVPFQGQARERSQATDRSGPLIKSLLRRSLSMDSPVPVFSPTLELKDLQNREQSVVKIASKASGTETFAHNGNSTRASPLVLRSKYLNRYDKETQVEGHVSVKAEPSSPLADPMDIVRITVGDALPVNLKDLQTNYSQGSRTDFNLPGKRKERPDNRRYPFKKSKVFKEHVASQETEPQHANSDPGENNAEPPPNKIFKCWNCLKVFRSSAGLHRHVNMYHNPEKPYACDICHKRFHTNFKVWTHCQTQHGVVQNPASSSSSSVLDEKFQKKLIDIVREREIKKALLWKLKRNKQGLQSPSLAKKRSRSSFVCPYCGKVFVFQSQYRQHLRTHPAEKPDQDTGSESVLCTEQDEILQQDNTDTGVYSCRLCNVKLSSLVEQGDHERGCRHATVCPYCGLRFSSPVVKKDHEAHCRYKKLTCLECMRTFKSSFSIWRHQVEVHNQNMMTGKNQIHLKQPENNEEAPDALGEEPYSDEPSVPGNFPENISYSDSPGPPMYDSEDSSSYVPEDLSMGHHGKLVVKEEPLEEAVSERDGSEAGKAGLEEHGVRPCEKCGNLFSSRKDLERHQELLCHIKPFICHICNKAFRTNFRLWSHFQSHMSTASKVGAKEMSMHAPPLSPSPPLTPQNSERRSPQASVLRSPQAPAAATIPEESSSPEPCGSSAGKASRPGSEPSGHGGSLSRSNSLENPGSPHEPDTLFYHAPSLSALTFKRQYMCKLCHRTFKTAFSLWSHEQSHSHM
					

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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	41.1	Very low	60.6	Low	251 Å²	251	145.8 Å²	145.8	100%	1.236	77%	0.77	S	S	*	*				0	145.1	0	-68.3	171.9	173.1	0	0	108.5
2	A	45.7	Very low	62	Low	77 Å²	77	142.1 Å²	142.1	64%	0.636	76%	0.76	S	S	*	*			trans	-92.1	141.5	-175.5	0	0	0	0	0	111.7
3	M	50.3	Low	63.3	Low	167 Å²	167	136.4 Å²	136.4	82%	0.823	74%	0.738	S	S	*	*			trans	-99.6	16.3	169.9	-65.8	-176	178.3	0	0	112.2	S5	M3-S5 PolarHBondContact O-N 3.31Å; M3-S5 VanDerWaalsContact O-N 3.1Å
4	E	52.9	Low	64.7	Low	190 Å²	190	135.3 Å²	135.3	89%	0.888	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	12.2	-171.6	-62.9	-174.6	129.3	0	0	114.2
5	S	55.5	Low	65.8	Low	103 Å²	103	129.8 Å²	129.8	72%	0.72	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	0.3	178.8	57.1	0	0	0	0	114.7	M3 V7	M3-S5 PolarHBondContact O-N 3.31Å; M3-S5 VanDerWaalsContact O-N 3.1Å; S5-V7 PolarHBondContact O-N 3.03Å
6	L	59.3	Low	67	Low	156 Å²	156	127.7 Å²	127.7	82%	0.817	69%	0.694	S	S	*	*			trans	-85.6	104.5	-172	-141.3	77.2	0	0	0	112.6
7	V	63.2	Low	68.1	Low	100 Å²	100	125.2 Å²	125.2	61%	0.606	69%	0.688	S	S	*	*			trans	-86.7	118.9	174.5	-174.1	0	0	0	0	110.1	S5 Y9	S5-V7 PolarHBondContact O-N 3.03Å; V7-Y9 HydrophobicContact CB-CE2 3.84Å; V7-Y9 HydrophobicContact CG1-CD2 4.14Å; V7-Y9 HydrophobicContact CG1-CE1 4.25Å; V7-Y9 HydrophobicContact CG1-CE2 3.51Å
8	H	69.1	Low	69.3	Low	165 Å²	165	121.8 Å²	121.8	76%	0.764	67%	0.671	S	S	*	*			trans	-90.4	104.9	-178.6	177.1	-78.8	0	0	0	111.9
9	Y	76.2	Confident	70.3	Confident	200 Å²	200	117.2 Å²	117.2	78%	0.784	65%	0.645	S	S	*	*			trans	-93.9	135.5	170.8	-60.9	-85.7	0	0	0	110.5	V7	V7-Y9 HydrophobicContact CB-CE2 3.84Å; V7-Y9 HydrophobicContact CG1-CD2 4.14Å; V7-Y9 HydrophobicContact CG1-CE1 4.25Å; V7-Y9 HydrophobicContact CG1-CE2 3.51Å
10	S	74.3	Confident	71.1	Confident	90 Å²	90	112.9 Å²	112.9	63%	0.629	63%	0.629	S	S	*	*			trans	-132.2	118.8	177.8	55.8	0	0	0	0	111.2	P12	S10-P12 WeakPolarHBondContact O-CD 3.46Å
11	N	79.8	Confident	72	Confident	105 Å²	105	112.3 Å²	112.3	56%	0.561	63%	0.625	S	S	*	*			trans	-100.1	103	173.5	-178.7	-0.3	0	0	0	110	S13 H14	N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.33Å; N11-S13 WeakPolarHBondContact OD1-CB 3.04Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 VanDerWaalsContact OD1-N 3.09Å; N11-H14 HydrophobicContact CB-CB 4.3Å; N11-H14 WeakPolarHBondContact O-CB 3.04Å; N11-H14 PolarHBondContact O-N 3.37Å
12	P	76.6	Confident	74.3	Confident	101 Å²	101	102.2 Å²	102.2	66%	0.656	58%	0.575	S	S	*	*	H	α-helix	trans	-66.8	-29.1	-180	28	-34.5	0	0	0	112.6	S10 H14 A15	S10-P12 WeakPolarHBondContact O-CD 3.46Å; P12-H14 PolarHBondContact O-N 3.08Å; P12-A15 PolarHBondContact O-N 3.22Å
13	S	79.3	Confident	76.4	Confident	68 Å²	68	100.2 Å²	100.2	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-28	179.1	-48.7	0	0	0	0	112.5	N11 A15 L16 S17	N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.33Å; N11-S13 WeakPolarHBondContact OD1-CB 3.04Å; N11-S13 PolarHBondContact OD1-N 3.29Å; N11-S13 VanDerWaalsContact OD1-N 3.09Å; S13-A15 VanDerWaalsContact C-N 3.32Å; S13-A15 PolarHBondContact O-N 2.99Å; S13-L16 PolarHBondContact O-N 3.28Å; S13-S17 PolarHBondContact O-N 2.86Å; S13-S17 PolarHBondContact O-OG 3.19Å
14	H	83.3	Confident	78.2	Confident	121 Å²	121	97.1 Å²	97.1	56%	0.56	54%	0.538	S	S	*	.	H	α-helix	trans	-59	-42	177.5	-178.1	-90.1	0	0	0	112.2	N11 P12 S17 V18	N11-H14 HydrophobicContact CB-CB 4.3Å; N11-H14 WeakPolarHBondContact O-CB 3.04Å; N11-H14 PolarHBondContact O-N 3.37Å; P12-H14 PolarHBondContact O-N 3.08Å; H14-S17 PolarHBondContact O-N 3.31Å; H14-V18 WeakPolarHBondContact O-CG2 3.5Å; H14-V18 PolarHBondContact O-N 3.01Å
15	A	80.6	Confident	80	Confident	53 Å²	53	90.6 Å²	90.6	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-41.5	177.8	0	0	0	0	0	111.8	P12 S13 V18 L19	P12-A15 PolarHBondContact O-N 3.22Å; S13-A15 VanDerWaalsContact C-N 3.32Å; S13-A15 PolarHBondContact O-N 2.99Å; A15-V18 PolarHBondContact O-N 2.61Å; A15-L19 WeakPolarHBondContact O-CB 3.24Å; A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.21Å
16	L	84.8	Confident	81.8	Confident	96 Å²	96	86.6 Å²	86.6	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-39.2	177	-62	175.9	0	0	0	112.1	S13 G20	S13-L16 PolarHBondContact O-N 3.28Å; L16-G20 PolarHBondContact O-N 3.48Å
17	S	86	Confident	83.1	Confident	85 Å²	85	84.7 Å²	84.7	59%	0.594	47%	0.466	S	S	*	.	H	α-helix	trans	-65	-41.4	174.7	-62.2	0	0	0	0	112.6	S13 H14 L21	S13-S17 PolarHBondContact O-N 2.86Å; S13-S17 PolarHBondContact O-OG 3.19Å; H14-S17 PolarHBondContact O-N 3.31Å; S17-L21 PolarHBondContact O-N 2.83Å
18	V	89.2	Confident	84.3	Confident	65 Å²	65	87.7 Å²	87.7	39%	0.394	47%	0.467	S	S	.	.	H	α-helix	trans	-67.3	-46.7	177.7	169.9	0	0	0	0	111.3	H14 A15 G20 L21 L22	H14-V18 WeakPolarHBondContact O-CG2 3.5Å; H14-V18 PolarHBondContact O-N 3.01Å; A15-V18 PolarHBondContact O-N 2.61Å; V18-G20 PolarHBondContact O-N 3.37Å; V18-L21 PolarHBondContact O-N 2.79Å; V18-L22 HydrophobicContact CG1-CD1 3.9Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 2.89Å
19	L	88.8	Confident	85	Confident	33 Å²	33	81.3 Å²	81.3	17%	0.173	45%	0.445	C	S	.	.	H	α-helix	trans	-63.9	-40	176.6	-71.5	176.5	0	0	0	112.1	A15 L21 L22 N23 Y90 S92	A15-L19 WeakPolarHBondContact O-CB 3.24Å; A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.21Å; L19-L21 PolarHBondContact O-N 3.14Å; L19-L22 HydrophobicContact CD2-CD1 4.44Å; L19-L22 PolarHBondContact O-N 3.34Å; L19-N23 WeakPolarHBondContact O-CB 3.38Å; L19-N23 PolarHBondContact O-N 2.87Å; L19-Y90 CarbonylContact C-O 3.59Å; L19-S92 WeakPolarHBondContact CD1-OG 3.36Å
20	G	86.6	Confident	85.3	Confident	32 Å²	32	76.5 Å²	76.5	33%	0.33	43%	0.43	S	S	.	.	H	α-helix	trans	-58.7	-44.5	174.2	0	0	0	0	0	112.9	L16 V18 N23 E24	L16-G20 PolarHBondContact O-N 3.48Å; V18-G20 PolarHBondContact O-N 3.37Å; G20-N23 WeakPolarHBondContact O-CB 3.41Å; G20-N23 PolarHBondContact O-N 3.37Å; G20-E24 PolarHBondContact O-N 3.47Å
21	L	89.1	Confident	85.7	Confident	101 Å²	101	78.4 Å²	78.4	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.3	-175.7	64.8	0	0	0	112.2	S17 V18 L19 N23 E24 Q25	S17-L21 PolarHBondContact O-N 2.83Å; V18-L21 PolarHBondContact O-N 2.79Å; L19-L21 PolarHBondContact O-N 3.14Å; L21-N23 VanDerWaalsContact C-N 3.25Å; L21-N23 PolarHBondContact O-N 2.91Å; L21-E24 PolarHBondContact O-N 2.98Å; L21-Q25 WeakPolarHBondContact O-CG 3.03Å; L21-Q25 PolarHBondContact O-N 3.47Å
22	L	90.1	Very high	86	Confident	39 Å²	39	74.8 Å²	74.8	20%	0.204	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-31.8	174.2	-71.1	164.6	0	0	0	111.9	V18 L19 R26 H46 V49 Y90	V18-L22 HydrophobicContact CG1-CD1 3.9Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 2.89Å; L19-L22 HydrophobicContact CD2-CD1 4.44Å; L19-L22 PolarHBondContact O-N 3.34Å; L22-R26 WeakPolarHBondContact O-CB 3.4Å; L22-R26 PolarHBondContact O-N 2.92Å; L22-H46 PolarHBondContact O-CE1 2.85Å; L22-V49 HydrophobicContact CD1-CG2 4.03Å; L22-V49 HydrophobicContact CD2-CG2 4.29Å; L22-Y90 HydrophobicContact CB-CD1 4.1Å; L22-Y90 HydrophobicContact CB-CE1 4.12Å
23	N	89.9	Confident	86.6	Confident	35 Å²	35	74 Å²	74	19%	0.187	40%	0.404	C	S	.	.	H	α-helix	trans	-71.4	-40.7	174	-160.1	34	0	0	0	111.9	L19 G20 L21 Q25 R26 L27 Y90	L19-N23 WeakPolarHBondContact O-CB 3.38Å; L19-N23 PolarHBondContact O-N 2.87Å; G20-N23 WeakPolarHBondContact O-CB 3.41Å; G20-N23 PolarHBondContact O-N 3.37Å; L21-N23 VanDerWaalsContact C-N 3.25Å; L21-N23 PolarHBondContact O-N 2.91Å; N23-Q25 VanDerWaalsContact C-N 3.33Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 2.76Å; N23-R26 PolarHBondContact OD1-NE 2.95Å; N23-R26 PolarHBondContact OD1-NH2 2.92Å; N23-L27 WeakPolarHBondContact O-CB 3.31Å; N23-L27 VanDerWaalsContact O-CG 3.3Å; N23-L27 WeakPolarHBondContact O-CG 3.39Å; N23-L27 PolarHBondContact O-N 2.96Å; N23-Y90 HydrophobicContact CB-CD1 4.27Å; N23-Y90 HydrophobicContact CB-CG 4.49Å; N23-Y90 WeakPolarHBondContact OD1-CB 3.31Å
24	E	88.9	Confident	87.1	Confident	102 Å²	102	70.9 Å²	70.9	48%	0.477	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-38.7	172.8	-73.8	-161	-166.7	0	0	112.1	G20 L21 R28	G20-E24 PolarHBondContact O-N 3.47Å; L21-E24 PolarHBondContact O-N 2.98Å; E24-R28 WeakPolarHBondContact O-CB 3.29Å; E24-R28 WeakPolarHBondContact O-CD 3.47Å; E24-R28 WeakPolarHBondContact O-CG 3.38Å; E24-R28 PolarHBondContact O-N 3.44Å; E24-R28 IonicContact OE2-CZ 3.81Å; E24-R28 IonicContact OE2-NH2 2.98Å; E24-R28 PolarHBondContact OE2-NH2 3.5Å
25	Q	89.9	Confident	87.4	Confident	52 Å²	52	67 Å²	67	24%	0.243	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-46.4	173.5	-73.4	172.1	-19.1	0	0	111	L21 N23 L27 R28 G29 Q30	L21-Q25 WeakPolarHBondContact O-CG 3.03Å; L21-Q25 PolarHBondContact O-N 3.47Å; N23-Q25 VanDerWaalsContact C-N 3.33Å; Q25-L27 PolarHBondContact O-N 2.84Å; Q25-R28 CarbonylContact O-C 3.42Å; Q25-R28 PolarHBondContact O-N 3.19Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; Q25-G29 PolarHBondContact O-N 2.75Å; Q25-G29 VanDerWaalsContact O-N 3.14Å; Q25-Q30 HydrophobicContact CB-CB 4.24Å; Q25-Q30 HydrophobicContact CG-CB 4.48Å; Q25-Q30 PolarHBondContact O-N 3.39Å
26	R	92.3	Very high	87.9	Confident	19 Å²	19	64.5 Å²	64.5	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-50.5	175.4	-175.9	-174.1	65.8	107	-9.5	112.3	L22 N23 R28 G29 Q44 N87 Y90	L22-R26 WeakPolarHBondContact O-CB 3.4Å; L22-R26 PolarHBondContact O-N 2.92Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 2.76Å; N23-R26 PolarHBondContact OD1-NE 2.95Å; N23-R26 PolarHBondContact OD1-NH2 2.92Å; R26-R28 PolarHBondContact O-N 3.39Å; R26-G29 PolarHBondContact O-N 2.71Å; R26-Q44 WeakPolarHBondContact CD-O 3.45Å; R26-Q44 WeakPolarHBondContact CG-O 3.14Å; R26-N87 PolarHBondContact NH2-OD1 2.87Å; R26-Y90 HydrophobicContact CB-CD1 4.48Å; R26-Y90 HydrophobicContact CB-CE1 4.17Å
27	L	87.6	Confident	88.1	Confident	117 Å²	117	61.3 Å²	61.3	61%	0.613	33%	0.329	S	S	*	.	H	α-helix	trans	-68.7	-14.5	-178.8	-67.8	171.2	0	0	0	113.4	N23 Q25	N23-L27 WeakPolarHBondContact O-CB 3.31Å; N23-L27 VanDerWaalsContact O-CG 3.3Å; N23-L27 WeakPolarHBondContact O-CG 3.39Å; N23-L27 PolarHBondContact O-N 2.96Å; Q25-L27 PolarHBondContact O-N 2.84Å
28	R	87.5	Confident	88.3	Confident	162 Å²	162	57.2 Å²	57.2	61%	0.611	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	3.4	172.6	-64	173.3	-162.2	-148.7	13	113.2	E24 Q25 R26 Q30	E24-R28 WeakPolarHBondContact O-CB 3.29Å; E24-R28 WeakPolarHBondContact O-CD 3.47Å; E24-R28 WeakPolarHBondContact O-CG 3.38Å; E24-R28 PolarHBondContact O-N 3.44Å; E24-R28 IonicContact OE2-CZ 3.81Å; E24-R28 IonicContact OE2-NH2 2.98Å; E24-R28 PolarHBondContact OE2-NH2 3.5Å; Q25-R28 CarbonylContact O-C 3.42Å; Q25-R28 PolarHBondContact O-N 3.19Å; Q25-R28 VanDerWaalsContact O-N 3.11Å; R26-R28 PolarHBondContact O-N 3.39Å; R28-Q30 HydrophobicContact CB-CG 3.91Å; R28-Q30 PolarHBondContact O-N 2.98Å
29	G	84.2	Confident	88	Confident	31 Å²	31	57.6 Å²	57.6	32%	0.32	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	13.8	-173.9	0	0	0	0	0	114.9	Q25 R26	Q25-G29 PolarHBondContact O-N 2.75Å; Q25-G29 VanDerWaalsContact O-N 3.14Å; R26-G29 PolarHBondContact O-N 2.71Å
30	Q	83.1	Confident	87.7	Confident	99 Å²	99	63.3 Å²	63.3	46%	0.463	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	138.7	-179.3	-65.2	-179.4	-20.3	0	0	109.7	Q25 R28 C32 H46	Q25-Q30 HydrophobicContact CB-CB 4.24Å; Q25-Q30 HydrophobicContact CG-CB 4.48Å; Q25-Q30 PolarHBondContact O-N 3.39Å; R28-Q30 HydrophobicContact CB-CG 3.91Å; R28-Q30 PolarHBondContact O-N 2.98Å; Q30-C32 PolarHBondContact O-N 2.88Å; Q30-C32 PolarHBondContact O-SG 3.31Å; Q30-H46 PolarHBondContact O-NE2 3.39Å
31	M	81.9	Confident	87.7	Confident	131 Å²	131	65.9 Å²	65.9	65%	0.645	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	18.4	178.9	-53.4	-60.4	-61.8	0	0	115.3	D33 H46	M31-D33 PolarHBondContact O-N 2.84Å; M31-H46 PolarHBondContact O-CD2 3.49Å
32	C	86.7	Confident	87.8	Confident	28 Å²	28	70.4 Å²	70.4	19%	0.189	35%	0.35	C	S	.	.			trans	-86.7	88.6	-175.5	-71.9	0	0	0	0	112.2	Q30 V34 Q44 A45	Q30-C32 PolarHBondContact O-N 2.88Å; Q30-C32 PolarHBondContact O-SG 3.31Å; C32-V34 PolarHBondContact O-N 3.1Å; C32-Q44 HydrophobicContact CB-CB 4.04Å; C32-A45 CarbonylContact C-O 3.26Å; C32-A45 WeakPolarHBondContact CA-O 3.38Å
33	D	88.2	Confident	87.8	Confident	86 Å²	86	69.5 Å²	69.5	46%	0.46	34%	0.344	S	S	.	.			trans	-70.9	-6.5	-176.9	-44.6	-57.6	0	0	0	115.1	M31 A45 K47	M31-D33 PolarHBondContact O-N 2.84Å; D33-A45 PolarHBondContact N-O 3.42Å; D33-K47 HydrophobicContact CB-CD 3.93Å; D33-K47 HydrophobicContact CB-CG 4Å; D33-K47 VanDerWaalsContact O-CE 3.24Å; D33-K47 WeakPolarHBondContact O-CE 3.43Å
34	V	89.9	Confident	87.9	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.6	-179.2	63	0	0	0	0	112.8	C32 L36 A45 K47 L50 F61 V72	C32-V34 PolarHBondContact O-N 3.1Å; V34-L36 HydrophobicContact CG2-CD2 3.97Å; V34-A45 HydrophobicContact CG1-CB 4.26Å; V34-A45 WeakPolarHBondContact CG1-O 3.25Å; V34-A45 PolarHBondContact N-O 3.41Å; V34-A45 PolarHBondContact O-N 3.17Å; V34-A45 VanDerWaalsContact O-O 3.12Å; V34-K47 HydrophobicContact CB-CD 4.5Å; V34-K47 HydrophobicContact CB-CG 3.78Å; V34-K47 HydrophobicContact CG1-CG 3.7Å; V34-L50 HydrophobicContact CG1-CD1 3.94Å; V34-F61 HydrophobicContact CB-CZ 4.4Å; V34-F61 HydrophobicContact CG1-CZ 4.06Å; V34-F61 HydrophobicContact CG2-CE1 4.11Å; V34-F61 HydrophobicContact CG2-CZ 4.11Å; V34-V72 HydrophobicContact CG2-CG2 3.84Å
35	V	90.2	Very high	88	Confident	40 Å²	40	67.6 Å²	67.6	24%	0.242	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.3	165.4	-174.5	0	0	0	0	108.5	R42 Q44 R70 V71 V72	V35-R42 HydrophobicContact CG1-CB 4.07Å; V35-Q44 HydrophobicContact CG2-CG 4.34Å; V35-R70 PolarHBondContact N-O 3.14Å; V35-V71 CarbonylContact O-C 3.35Å; V35-V71 VanDerWaalsContact O-CA 3.3Å; V35-V71 WeakPolarHBondContact O-CA 3.29Å; V35-V72 PolarHBondContact O-N 3.27Å
36	L	90.6	Very high	88.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.7	169.9	-53.4	-179.6	0	0	0	108.8	V34 R42 Y43 L50 F57 V72 L74 F82	V34-L36 HydrophobicContact CG2-CD2 3.97Å; L36-R42 CarbonylContact O-C 3.55Å; L36-R42 WeakPolarHBondContact O-CA 3.4Å; L36-Y43 PolarHBondContact N-O 3.2Å; L36-Y43 PolarHBondContact O-N 2.89Å; L36-L50 HydrophobicContact CD1-CD1 3.87Å; L36-L50 HydrophobicContact CD1-CD2 4.4Å; L36-L50 HydrophobicContact CD2-CD1 4.31Å; L36-L50 HydrophobicContact CG-CD1 4.38Å; L36-F57 HydrophobicContact CD1-CE1 4.19Å; L36-F57 HydrophobicContact CD1-CZ 3.81Å; L36-F57 HydrophobicContact CD2-CE1 3.92Å; L36-F57 HydrophobicContact CD2-CZ 4.37Å; L36-V72 CarbonylContact C-O 3.56Å; L36-V72 WeakPolarHBondContact CA-O 3.08Å; L36-V72 HydrophobicContact CD2-CB 3.85Å; L36-V72 HydrophobicContact CD2-CG1 4.45Å; L36-V72 HydrophobicContact CD2-CG2 4.35Å; L36-L74 HydrophobicContact CB-CD1 4.14Å; L36-L74 HydrophobicContact CD1-CD1 4.17Å; L36-L74 HydrophobicContact CD2-CD1 4.46Å; L36-F82 HydrophobicContact CD1-CE1 3.89Å; L36-F82 HydrophobicContact CD1-CE2 4.49Å; L36-F82 HydrophobicContact CD1-CZ 3.43Å; L36-F82 VanDerWaalsContact CD1-CZ 3.43Å
37	I	89.4	Confident	88	Confident	29 Å²	29	66.3 Å²	66.3	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	174.2	-53.9	-171.7	0	0	0	108.1	S39 Q41 R42 V71 V72 N73 L74	I37-S39 VanDerWaalsContact CG2-O 3.3Å; I37-S39 WeakPolarHBondContact CG2-O 3.34Å; I37-Q41 WeakPolarHBondContact CA-O 3.43Å; I37-R42 HydrophobicContact CG1-CG 4.29Å; I37-V71 HydrophobicContact CD1-CG1 3.51Å; I37-V71 HydrophobicContact CG1-CG1 3.86Å; I37-V72 PolarHBondContact N-O 3.13Å; I37-N73 CarbonylContact O-C 3.57Å; I37-N73 WeakPolarHBondContact O-CA 3.5Å; I37-L74 PolarHBondContact O-N 3.02Å
38	V	89.7	Confident	88	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.1	177	-176.7	0	0	0	0	107.2	D40 Q41 Y43 L74 C77 P79 F82	V38-D40 PolarHBondContact O-N 3.23Å; V38-Q41 PolarHBondContact N-O 3.21Å; V38-Q41 PolarHBondContact O-N 3.49Å; V38-Y43 HydrophobicContact CB-CE2 3.94Å; V38-Y43 HydrophobicContact CG2-CD2 3.98Å; V38-Y43 HydrophobicContact CG2-CE2 3.76Å; V38-L74 HydrophobicContact CG2-CB 4.13Å; V38-L74 HydrophobicContact CG2-CD1 4.13Å; V38-C77 WeakPolarHBondContact CG1-O 3.29Å; V38-C77 VanDerWaalsContact CG1-SG 3.55Å; V38-P79 HydrophobicContact CG1-CB 4.2Å; V38-F82 HydrophobicContact CG1-CB 4.39Å; V38-F82 HydrophobicContact CG2-CB 4.15Å; V38-F82 HydrophobicContact CG2-CD1 3.67Å; V38-F82 HydrophobicContact CG2-CD2 4.4Å; V38-F82 HydrophobicContact CG2-CE1 4.23Å; V38-F82 HydrophobicContact CG2-CG 3.78Å
39	S	83.4	Confident	88.2	Confident	72 Å²	72	57.3 Å²	57.3	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-108.8	-163	-48.7	0	0	0	0	109.8	I37	I37-S39 VanDerWaalsContact CG2-O 3.3Å; I37-S39 WeakPolarHBondContact CG2-O 3.34Å
40	D	82.8	Confident	88.5	Confident	154 Å²	154	55.9 Å²	55.9	82%	0.824	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-9.3	176.1	-62.6	-67.8	0	0	0	114.4	V38	V38-D40 PolarHBondContact O-N 3.23Å
41	Q	87.3	Confident	88.9	Confident	85 Å²	85	52.2 Å²	52.2	40%	0.397	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.6	-176.3	-63.2	-161.1	33.3	0	0	112.1	I37 V38 Y43 P79	I37-Q41 WeakPolarHBondContact CA-O 3.43Å; V38-Q41 PolarHBondContact N-O 3.21Å; V38-Q41 PolarHBondContact O-N 3.49Å; Q41-Y43 HydrophobicContact CB-CE2 3.87Å; Q41-Y43 PolarHBondContact OE1-OH 2.85Å; Q41-P79 HydrophobicContact CB-CB 4.22Å; Q41-P79 HydrophobicContact CG-CB 3.98Å
42	R	90.1	Very high	89.2	Confident	196 Å²	196	50.2 Å²	50.2	74%	0.74	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.3	-176.1	-59.1	-173.5	-178.8	-177.1	0.1	111.5	V35 L36 I37	V35-R42 HydrophobicContact CG1-CB 4.07Å; L36-R42 CarbonylContact O-C 3.55Å; L36-R42 WeakPolarHBondContact O-CA 3.4Å; I37-R42 HydrophobicContact CG1-CG 4.29Å
43	Y	90.7	Very high	89.4	Confident	20 Å²	20	50.8 Å²	50.8	8%	0.078	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.3	179.1	-53.3	-79.9	0	0	0	111.2	L36 V38 Q41 P79 F82 E83 L86	L36-Y43 PolarHBondContact N-O 3.2Å; L36-Y43 PolarHBondContact O-N 2.89Å; V38-Y43 HydrophobicContact CB-CE2 3.94Å; V38-Y43 HydrophobicContact CG2-CD2 3.98Å; V38-Y43 HydrophobicContact CG2-CE2 3.76Å; Q41-Y43 HydrophobicContact CB-CE2 3.87Å; Q41-Y43 PolarHBondContact OE1-OH 2.85Å; Y43-P79 WeakPolarHBondContact OH-CB 3.34Å; Y43-P79 PolarHBondContact OH-O 3.4Å; Y43-F82 AromaticContact CD2-CD1 3.7Å; Y43-F82 HydrophobicContact CD2-CD1 3.7Å; Y43-F82 AromaticContact CD2-CE1 3.87Å; Y43-F82 HydrophobicContact CD2-CE1 3.87Å; Y43-F82 AromaticContact CE2-CD1 3.72Å; Y43-F82 HydrophobicContact CE2-CD1 3.72Å; Y43-F82 HydrophobicContact CE2-CE1 4.37Å; Y43-F82 HydrophobicContact CG-CD1 4.3Å; Y43-F82 HydrophobicContact CG-CE1 4.23Å; Y43-E83 HydrophobicContact CE1-CB 4.18Å; Y43-E83 HydrophobicContact CE1-CG 3.95Å; Y43-L86 HydrophobicContact CD1-CD2 4.02Å; Y43-L86 HydrophobicContact CG-CD2 4.02Å
44	Q	90.8	Very high	89.5	Confident	97 Å²	97	46.8 Å²	46.8	45%	0.453	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.8	169.8	-69.9	178.5	-10.7	0	0	110.5	R26 C32 V35	R26-Q44 WeakPolarHBondContact CD-O 3.45Å; R26-Q44 WeakPolarHBondContact CG-O 3.14Å; C32-Q44 HydrophobicContact CB-CB 4.04Å; V35-Q44 HydrophobicContact CG2-CG 4.34Å
45	A	92.6	Very high	89.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.5	-179.6	0	0	0	0	0	112.8	C32 D33 V34 L50	C32-A45 CarbonylContact C-O 3.26Å; C32-A45 WeakPolarHBondContact CA-O 3.38Å; D33-A45 PolarHBondContact N-O 3.42Å; V34-A45 HydrophobicContact CG1-CB 4.26Å; V34-A45 WeakPolarHBondContact CG1-O 3.25Å; V34-A45 PolarHBondContact N-O 3.41Å; V34-A45 PolarHBondContact O-N 3.17Å; V34-A45 VanDerWaalsContact O-O 3.12Å; A45-L50 HydrophobicContact CB-CD1 3.75Å; A45-L50 HydrophobicContact CB-CD2 4.49Å; A45-L50 HydrophobicContact CB-CG 4.19Å
46	H	91.3	Very high	89.5	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.028	29%	0.289	C	S	.	.			trans	-91.7	126	172.7	-50.9	80.9	0	0	0	110	L22 Q30 M31 S48 V49 L50 Y90	L22-H46 PolarHBondContact O-CE1 2.85Å; Q30-H46 PolarHBondContact O-NE2 3.39Å; M31-H46 PolarHBondContact O-CD2 3.49Å; H46-S48 VanDerWaalsContact C-N 3.25Å; H46-S48 PolarHBondContact O-N 3.36Å; H46-V49 HydrophobicContact CB-CB 4.19Å; H46-V49 HydrophobicContact CB-CG2 3.84Å; H46-V49 PolarHBondContact O-N 3.19Å; H46-L50 PolarHBondContact O-N 3.4Å; H46-Y90 PolarHBondContact N-OH 3.28Å; H46-Y90 AromaticContact ND1-CE1 3.54Å; H46-Y90 AromaticContact ND1-CZ 3.69Å; H46-Y90 PolarHBondContact ND1-OH 3.21Å
47	K	89.6	Confident	89.5	Confident	39 Å²	39	54.4 Å²	54.4	17%	0.17	29%	0.289	C	S	.	.	H	α-helix	trans	-55.5	-41.6	178.1	-73.9	176.9	175.7	170.7	0	112.1	D33 V34 L50 A51 F61 G66 L69	D33-K47 HydrophobicContact CB-CD 3.93Å; D33-K47 HydrophobicContact CB-CG 4Å; D33-K47 VanDerWaalsContact O-CE 3.24Å; D33-K47 WeakPolarHBondContact O-CE 3.43Å; V34-K47 HydrophobicContact CB-CD 4.5Å; V34-K47 HydrophobicContact CB-CG 3.78Å; V34-K47 HydrophobicContact CG1-CG 3.7Å; K47-L50 PolarHBondContact O-N 3.25Å; K47-A51 VanDerWaalsContact O-CB 3.31Å; K47-A51 WeakPolarHBondContact O-CB 3.34Å; K47-A51 PolarHBondContact O-N 3.24Å; K47-F61 HydrophobicContact CB-CD2 4.2Å; K47-F61 HydrophobicContact CB-CE2 4.23Å; K47-F61 HydrophobicContact CB-CG 4.43Å; K47-F61 HydrophobicContact CB-CZ 4.49Å; K47-F61 HydrophobicContact CD-CD1 4.17Å; K47-F61 HydrophobicContact CD-CE1 4.29Å; K47-F61 HydrophobicContact CG-CD1 4.07Å; K47-F61 HydrophobicContact CG-CD2 4.39Å; K47-F61 HydrophobicContact CG-CE1 3.88Å; K47-F61 HydrophobicContact CG-CE2 4.2Å; K47-F61 HydrophobicContact CG-CG 4.36Å; K47-F61 HydrophobicContact CG-CZ 3.96Å; K47-G66 PolarHBondContact NZ-O 2.83Å; K47-L69 WeakPolarHBondContact CE-O 3.23Å; K47-L69 PolarHBondContact NZ-O 3.39Å
48	S	89	Confident	89.4	Confident	77 Å²	77	57.4 Å²	57.4	54%	0.538	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-43.5	-179.5	53.8	0	0	0	0	113.6	H46 A52	H46-S48 VanDerWaalsContact C-N 3.25Å; H46-S48 PolarHBondContact O-N 3.36Å; S48-A52 VanDerWaalsContact O-CB 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.44Å; S48-A52 PolarHBondContact O-N 3.49Å
49	V	91	Very high	89.3	Confident	13 Å²	13	59.8 Å²	59.8	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-71.3	-38.8	-179.3	-178.1	0	0	0	0	110.9	L22 H46 S53 I89 Y90	L22-V49 HydrophobicContact CD1-CG2 4.03Å; L22-V49 HydrophobicContact CD2-CG2 4.29Å; H46-V49 HydrophobicContact CB-CB 4.19Å; H46-V49 HydrophobicContact CB-CG2 3.84Å; H46-V49 PolarHBondContact O-N 3.19Å; V49-S53 WeakPolarHBondContact O-CB 3.37Å; V49-S53 PolarHBondContact O-N 3.1Å; V49-S53 PolarHBondContact O-OG 3.35Å; V49-I89 HydrophobicContact CG1-CG2 3.8Å; V49-Y90 HydrophobicContact CB-CE1 4.25Å; V49-Y90 HydrophobicContact CG1-CD1 4.38Å; V49-Y90 HydrophobicContact CG1-CE1 3.88Å; V49-Y90 HydrophobicContact CG1-CE2 4.12Å; V49-Y90 HydrophobicContact CG2-CE1 4.28Å
50	L	90.9	Very high	89.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-51.5	173.7	-67.4	173.6	0	0	0	111.3	V34 L36 A45 H46 K47 A52 S53 S54 F57 F61 L86 I89	V34-L50 HydrophobicContact CG1-CD1 3.94Å; L36-L50 HydrophobicContact CD1-CD1 3.87Å; L36-L50 HydrophobicContact CD1-CD2 4.4Å; L36-L50 HydrophobicContact CD2-CD1 4.31Å; L36-L50 HydrophobicContact CG-CD1 4.38Å; A45-L50 HydrophobicContact CB-CD1 3.75Å; A45-L50 HydrophobicContact CB-CD2 4.49Å; A45-L50 HydrophobicContact CB-CG 4.19Å; H46-L50 PolarHBondContact O-N 3.4Å; K47-L50 PolarHBondContact O-N 3.25Å; L50-A52 VanDerWaalsContact C-N 3.26Å; L50-A52 PolarHBondContact O-N 2.98Å; L50-S53 PolarHBondContact O-N 2.84Å; L50-S54 PolarHBondContact O-N 2.95Å; L50-F57 HydrophobicContact CB-CB 3.95Å; L50-F57 HydrophobicContact CB-CD2 3.94Å; L50-F57 HydrophobicContact CB-CG 3.96Å; L50-F57 HydrophobicContact CD2-CD2 4.06Å; L50-F57 HydrophobicContact CD2-CE2 4.03Å; L50-F57 HydrophobicContact CG-CD2 4.42Å; L50-F61 HydrophobicContact CB-CE2 4.04Å; L50-F61 HydrophobicContact CD1-CE2 4.08Å; L50-F61 HydrophobicContact CD1-CZ 4.22Å; L50-L86 HydrophobicContact CD2-CD1 4.13Å; L50-I89 HydrophobicContact CD2-CD1 4.18Å
51	A	89.9	Confident	89.6	Confident	23 Å²	23	52.1 Å²	52.1	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-29.2	178.6	0	0	0	0	0	113.6	K47 S53 Q58 F61	K47-A51 VanDerWaalsContact O-CB 3.31Å; K47-A51 WeakPolarHBondContact O-CB 3.34Å; K47-A51 PolarHBondContact O-N 3.24Å; A51-S53 VanDerWaalsContact C-N 3.29Å; A51-Q58 HydrophobicContact CB-CB 4.31Å; A51-Q58 HydrophobicContact CB-CG 4.46Å; A51-F61 HydrophobicContact CB-CD2 4.34Å
52	A	90	Very high	89.3	Confident	89 Å²	89	53.2 Å²	53.2	74%	0.736	28%	0.283	S	S	*	.	H	α-helix	trans	-76.3	-14.5	174.3	0	0	0	0	0	113.8	S48 L50	S48-A52 VanDerWaalsContact O-CB 3.28Å; S48-A52 WeakPolarHBondContact O-CB 3.44Å; S48-A52 PolarHBondContact O-N 3.49Å; L50-A52 VanDerWaalsContact C-N 3.26Å; L50-A52 PolarHBondContact O-N 2.98Å
53	S	89.1	Confident	88.4	Confident	39 Å²	39	53.2 Å²	53.2	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-115.3	-14.1	-171.5	-52.3	0	0	0	0	114.2	V49 L50 A51	V49-S53 WeakPolarHBondContact O-CB 3.37Å; V49-S53 PolarHBondContact O-N 3.1Å; V49-S53 PolarHBondContact O-OG 3.35Å; L50-S53 PolarHBondContact O-N 2.84Å; A51-S53 VanDerWaalsContact C-N 3.29Å
54	S	91.9	Very high	87	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.021	30%	0.302	C	S	.	.			trans	-146.6	123.4	-169.9	159.7	0	0	0	0	110.6	L50 Y56 F57 Q58 L111	L50-S54 PolarHBondContact O-N 2.95Å; S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 2.87Å; S54-Y56 PolarHBondContact OG-N 3.05Å; S54-F57 PolarHBondContact O-N 3.06Å; S54-F57 VanDerWaalsContact OG-CD2 3.32Å; S54-F57 WeakPolarHBondContact OG-CD2 3.31Å; S54-F57 PolarHBondContact OG-N 3.37Å; S54-F57 VanDerWaalsContact OG-N 3.13Å; S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 PolarHBondContact O-N 3.34Å; S54-L111 WeakPolarHBondContact CB-O 3.19Å; S54-L111 PolarHBondContact OG-O 2.85Å
55	E	89.8	Confident	85.4	Confident	127 Å²	127	59 Å²	59	59%	0.593	32%	0.316	S	S	*	.	H	α-helix	trans	-65.7	-31.8	177.1	-65.3	175.1	-169.3	0	0	111.6	Q58 S59 G112	E55-Q58 PolarHBondContact O-N 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.43Å; E55-S59 PolarHBondContact O-N 3.42Å; E55-G112 PolarHBondContact N-O 3.27Å; E55-G112 VanDerWaalsContact N-O 3.11Å
56	Y	90.3	Very high	83.7	Confident	74 Å²	74	61.5 Å²	61.5	29%	0.29	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-55.3	173.4	174.1	-93.4	0	0	0	111.6	S54 Q58 S59 L60 L74 F76 L111	S54-Y56 VanDerWaalsContact C-N 3.27Å; S54-Y56 PolarHBondContact O-N 2.87Å; S54-Y56 PolarHBondContact OG-N 3.05Å; Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.78Å; Y56-S59 PolarHBondContact O-N 3.24Å; Y56-L60 HydrophobicContact CE1-CD1 3.89Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.19Å; Y56-L74 HydrophobicContact CE1-CD2 3.83Å; Y56-F76 HydrophobicContact CE1-CZ 4.35Å; Y56-F76 HydrophobicContact CE2-CE1 4.43Å; Y56-F76 HydrophobicContact CE2-CZ 4.49Å; Y56-L111 WeakPolarHBondContact CB-O 3.34Å; Y56-L111 HydrophobicContact CD1-CD2 3.86Å; Y56-L111 HydrophobicContact CE1-CD2 4.39Å; Y56-L111 HydrophobicContact CG-CD2 4.37Å; Y56-L111 PolarHBondContact N-O 3.17Å
57	F	89.8	Confident	82.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-33.1	179	-72.6	-56.3	0	0	0	112	L36 L50 S54 L60 F61 L74 F82 L111	L36-F57 HydrophobicContact CD1-CE1 4.19Å; L36-F57 HydrophobicContact CD1-CZ 3.81Å; L36-F57 HydrophobicContact CD2-CE1 3.92Å; L36-F57 HydrophobicContact CD2-CZ 4.37Å; L50-F57 HydrophobicContact CB-CB 3.95Å; L50-F57 HydrophobicContact CB-CD2 3.94Å; L50-F57 HydrophobicContact CB-CG 3.96Å; L50-F57 HydrophobicContact CD2-CD2 4.06Å; L50-F57 HydrophobicContact CD2-CE2 4.03Å; L50-F57 HydrophobicContact CG-CD2 4.42Å; S54-F57 PolarHBondContact O-N 3.06Å; S54-F57 VanDerWaalsContact OG-CD2 3.32Å; S54-F57 WeakPolarHBondContact OG-CD2 3.31Å; S54-F57 PolarHBondContact OG-N 3.37Å; S54-F57 VanDerWaalsContact OG-N 3.13Å; F57-L60 PolarHBondContact O-N 3.48Å; F57-F61 HydrophobicContact CB-CD2 4.13Å; F57-F61 HydrophobicContact CB-CE2 3.85Å; F57-F61 HydrophobicContact CD1-CE2 4.01Å; F57-F61 HydrophobicContact CD1-CZ 4.18Å; F57-F61 HydrophobicContact CG-CE2 4.22Å; F57-F61 WeakPolarHBondContact O-CB 3.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.19Å; F57-F61 WeakPolarHBondContact O-CG 3.15Å; F57-F61 PolarHBondContact O-N 3.26Å; F57-L74 HydrophobicContact CE1-CD1 4.25Å; F57-L74 HydrophobicContact CE1-CD2 4.18Å; F57-L74 HydrophobicContact CZ-CD1 3.87Å; F57-L74 HydrophobicContact CZ-CD2 4.36Å; F57-F82 HydrophobicContact CE2-CE2 4.49Å; F57-F82 HydrophobicContact CZ-CE2 4.3Å; F57-F82 HydrophobicContact CZ-CZ 4.38Å; F57-L111 HydrophobicContact CE2-CD2 3.79Å; F57-L111 HydrophobicContact CZ-CD2 3.95Å
58	Q	88.1	Confident	80.7	Confident	92 Å²	92	69.3 Å²	69.3	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-46.7	172.9	-165	-179.8	14.5	0	0	111.6	A51 S54 E55 Y56 T62	A51-Q58 HydrophobicContact CB-CB 4.31Å; A51-Q58 HydrophobicContact CB-CG 4.46Å; S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 PolarHBondContact O-N 3.34Å; E55-Q58 PolarHBondContact O-N 3.27Å; Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.78Å; Q58-T62 WeakPolarHBondContact O-CB 3.33Å; Q58-T62 VanDerWaalsContact O-CG2 3.28Å; Q58-T62 WeakPolarHBondContact O-CG2 3.38Å; Q58-T62 PolarHBondContact O-N 3.19Å; Q58-T62 PolarHBondContact O-OG1 2.91Å
59	S	87.7	Confident	79.5	Confident	50 Å²	50	66.4 Å²	66.4	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-42.3	176.6	-167.7	0	0	0	0	111.9	E55 Y56 T62 R63	E55-S59 WeakPolarHBondContact O-CB 3.43Å; E55-S59 PolarHBondContact O-N 3.42Å; Y56-S59 PolarHBondContact O-N 3.24Å; S59-T62 PolarHBondContact O-N 3.19Å; S59-T62 PolarHBondContact O-OG1 3.45Å; S59-R63 WeakPolarHBondContact O-CB 3.44Å; S59-R63 WeakPolarHBondContact O-CD 3.33Å; S59-R63 VanDerWaalsContact O-CG 3.27Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.83Å; S59-R63 WeakPolarHBondContact OG-CD 3.45Å
60	L	85.8	Confident	78.7	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.147	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-47.9	-178.9	-174.8	144	0	0	0	111.9	Y56 F57 T62 L69 V72	Y56-L60 HydrophobicContact CE1-CD1 3.89Å; Y56-L60 WeakPolarHBondContact O-CB 3.46Å; Y56-L60 PolarHBondContact O-N 3.19Å; F57-L60 PolarHBondContact O-N 3.48Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 2.73Å; L60-L69 HydrophobicContact CD2-CD1 3.73Å; L60-L69 HydrophobicContact CD2-CD2 4.32Å; L60-L69 HydrophobicContact CG-CD1 4.42Å; L60-L69 WeakPolarHBondContact O-CD1 3.39Å; L60-V72 HydrophobicContact CD1-CG1 3.85Å; L60-V72 HydrophobicContact CD2-CG1 4.15Å; L60-V72 HydrophobicContact CD2-CG2 3.97Å
61	F	86.6	Confident	78.4	Confident	36 Å²	36	77 Å²	77	16%	0.158	42%	0.418	C	S	.	.	H	α-helix	trans	-78.8	-5.2	179.6	-60.4	-49.4	0	0	0	114.8	V34 K47 L50 A51 F57 L69 V72	V34-F61 HydrophobicContact CB-CZ 4.4Å; V34-F61 HydrophobicContact CG1-CZ 4.06Å; V34-F61 HydrophobicContact CG2-CE1 4.11Å; V34-F61 HydrophobicContact CG2-CZ 4.11Å; K47-F61 HydrophobicContact CB-CD2 4.2Å; K47-F61 HydrophobicContact CB-CE2 4.23Å; K47-F61 HydrophobicContact CB-CG 4.43Å; K47-F61 HydrophobicContact CB-CZ 4.49Å; K47-F61 HydrophobicContact CD-CD1 4.17Å; K47-F61 HydrophobicContact CD-CE1 4.29Å; K47-F61 HydrophobicContact CG-CD1 4.07Å; K47-F61 HydrophobicContact CG-CD2 4.39Å; K47-F61 HydrophobicContact CG-CE1 3.88Å; K47-F61 HydrophobicContact CG-CE2 4.2Å; K47-F61 HydrophobicContact CG-CG 4.36Å; K47-F61 HydrophobicContact CG-CZ 3.96Å; L50-F61 HydrophobicContact CB-CE2 4.04Å; L50-F61 HydrophobicContact CD1-CE2 4.08Å; L50-F61 HydrophobicContact CD1-CZ 4.22Å; A51-F61 HydrophobicContact CB-CD2 4.34Å; F57-F61 HydrophobicContact CB-CD2 4.13Å; F57-F61 HydrophobicContact CB-CE2 3.85Å; F57-F61 HydrophobicContact CD1-CE2 4.01Å; F57-F61 HydrophobicContact CD1-CZ 4.18Å; F57-F61 HydrophobicContact CG-CE2 4.22Å; F57-F61 WeakPolarHBondContact O-CB 3.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.19Å; F57-F61 WeakPolarHBondContact O-CG 3.15Å; F57-F61 PolarHBondContact O-N 3.26Å; F61-L69 HydrophobicContact CD1-CB 4.38Å; F61-L69 HydrophobicContact CD1-CD1 3.97Å; F61-L69 HydrophobicContact CE1-CB 4.45Å; F61-V72 HydrophobicContact CE1-CG2 4.14Å
62	T	80.9	Confident	78.2	Confident	108 Å²	108	76.4 Å²	76.4	66%	0.663	41%	0.412	S	S	*	.	H	α-helix	trans	-106.5	-12.1	176.3	52.9	0	0	0	0	114.3	Q58 S59 L60	Q58-T62 WeakPolarHBondContact O-CB 3.33Å; Q58-T62 VanDerWaalsContact O-CG2 3.28Å; Q58-T62 WeakPolarHBondContact O-CG2 3.38Å; Q58-T62 PolarHBondContact O-N 3.19Å; Q58-T62 PolarHBondContact O-OG1 2.91Å; S59-T62 PolarHBondContact O-N 3.19Å; S59-T62 PolarHBondContact O-OG1 3.45Å; L60-T62 VanDerWaalsContact C-N 3.31Å; L60-T62 PolarHBondContact O-N 2.73Å
63	R	70.8	Confident	78	Confident	196 Å²	196	76.4 Å²	76.4	74%	0.74	40%	0.4	S	S	*	.	S	Bend	trans	-98.3	-5.5	-178.5	-77.5	171	54.3	-158.9	-7.2	115.1	S59	S59-R63 WeakPolarHBondContact O-CB 3.44Å; S59-R63 WeakPolarHBondContact O-CD 3.33Å; S59-R63 VanDerWaalsContact O-CG 3.27Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.83Å; S59-R63 WeakPolarHBondContact OG-CD 3.45Å
64	M	62.1	Low	77.8	Confident	97 Å²	97	74.6 Å²	74.6	48%	0.478	39%	0.387	S	S	.	.	S	Bend	trans	-140.9	139.4	-173.3	-64.6	176.1	64.2	0	0	110.3	L69	M64-L69 HydrophobicContact CB-CD1 3.73Å; M64-L69 HydrophobicContact CB-CG 4.18Å; M64-L69 HydrophobicContact CE-CD2 3.78Å; M64-L69 HydrophobicContact CE-CG 4.23Å; M64-L69 HydrophobicContact CG-CD1 4.43Å; M64-L69 HydrophobicContact SD-CD1 4.15Å; M64-L69 HydrophobicContact SD-CD2 3.99Å; M64-L69 HydrophobicContact SD-CG 4.36Å
65	D	56	Low	77.4	Confident	142 Å²	142	81 Å²	81	76%	0.759	42%	0.421	S	S	*	.			trans	-65	143	-174.4	-56.6	-73.8	0	0	0	112.9	D67 S68	D65-D67 VanDerWaalsContact C-N 3.32Å; D65-D67 PolarHBondContact O-N 2.72Å; D65-S68 PolarHBondContact O-N 3Å
66	G	57.2	Low	77.1	Confident	53 Å²	53	79.3 Å²	79.3	55%	0.546	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27	-150.7	0	0	0	0	0	117.3	K47	K47-G66 PolarHBondContact NZ-O 2.83Å
67	D	58.4	Low	76.9	Confident	119 Å²	119	76.6 Å²	76.6	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.3	-177.9	-80.9	-59.4	0	0	0	113.9	D65 L69 R70	D65-D67 VanDerWaalsContact C-N 3.32Å; D65-D67 PolarHBondContact O-N 2.72Å; D67-L69 PolarHBondContact O-N 3.37Å; D67-R70 IonicContact OD1-CZ 3.71Å; D67-R70 IonicContact OD1-NE 3.53Å; D67-R70 IonicContact OD1-NH2 3.78Å; D67-R70 PolarHBondContact OD1-NH2 2.9Å
68	S	58.6	Low	76.7	Confident	90 Å²	90	83 Å²	83	63%	0.629	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.2	-177.5	-59.7	0	0	0	0	113.4	D65	D65-S68 PolarHBondContact O-N 3Å
69	L	65.2	Low	76.6	Confident	15 Å²	15	79.5 Å²	79.5	8%	0.079	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	46.4	-175.2	-65.9	179.9	0	0	0	113	K47 L60 F61 M64 D67 V72	K47-L69 WeakPolarHBondContact CE-O 3.23Å; K47-L69 PolarHBondContact NZ-O 3.39Å; L60-L69 HydrophobicContact CD2-CD1 3.73Å; L60-L69 HydrophobicContact CD2-CD2 4.32Å; L60-L69 HydrophobicContact CG-CD1 4.42Å; L60-L69 WeakPolarHBondContact O-CD1 3.39Å; F61-L69 HydrophobicContact CD1-CB 4.38Å; F61-L69 HydrophobicContact CD1-CD1 3.97Å; F61-L69 HydrophobicContact CE1-CB 4.45Å; M64-L69 HydrophobicContact CB-CD1 3.73Å; M64-L69 HydrophobicContact CB-CG 4.18Å; M64-L69 HydrophobicContact CE-CD2 3.78Å; M64-L69 HydrophobicContact CE-CG 4.23Å; M64-L69 HydrophobicContact CG-CD1 4.43Å; M64-L69 HydrophobicContact SD-CD1 4.15Å; M64-L69 HydrophobicContact SD-CD2 3.99Å; M64-L69 HydrophobicContact SD-CG 4.36Å; D67-L69 PolarHBondContact O-N 3.37Å; L69-V72 HydrophobicContact CD2-CG2 4.21Å
70	R	74.4	Confident	76.5	Confident	161 Å²	161	82.6 Å²	82.6	61%	0.608	43%	0.431	S	S	*	.	S	Bend	trans	-78.6	-22.7	166	-68.3	-175.8	-171.7	-134.3	0.5	112.6	V35 D67	V35-R70 PolarHBondContact N-O 3.14Å; D67-R70 IonicContact OD1-CZ 3.71Å; D67-R70 IonicContact OD1-NE 3.53Å; D67-R70 IonicContact OD1-NH2 3.78Å; D67-R70 PolarHBondContact OD1-NH2 2.9Å
71	V	83	Confident	76.7	Confident	75 Å²	75	81.7 Å²	81.7	46%	0.455	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.3	174	-175.2	0	0	0	0	108.3	V35 I37	V35-V71 CarbonylContact O-C 3.35Å; V35-V71 VanDerWaalsContact O-CA 3.3Å; V35-V71 WeakPolarHBondContact O-CA 3.29Å; I37-V71 HydrophobicContact CD1-CG1 3.51Å; I37-V71 HydrophobicContact CG1-CG1 3.86Å
72	V	85.8	Confident	76.9	Confident	10 Å²	10	80 Å²	80	6%	0.061	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.6	176.8	-177	0	0	0	0	109.1	V34 V35 L36 I37 L60 F61 L69 L74	V34-V72 HydrophobicContact CG2-CG2 3.84Å; V35-V72 PolarHBondContact O-N 3.27Å; L36-V72 CarbonylContact C-O 3.56Å; L36-V72 WeakPolarHBondContact CA-O 3.08Å; L36-V72 HydrophobicContact CD2-CB 3.85Å; L36-V72 HydrophobicContact CD2-CG1 4.45Å; L36-V72 HydrophobicContact CD2-CG2 4.35Å; I37-V72 PolarHBondContact N-O 3.13Å; L60-V72 HydrophobicContact CD1-CG1 3.85Å; L60-V72 HydrophobicContact CD2-CG1 4.15Å; L60-V72 HydrophobicContact CD2-CG2 3.97Å; F61-V72 HydrophobicContact CE1-CG2 4.14Å; L69-V72 HydrophobicContact CD2-CG2 4.21Å; V72-L74 HydrophobicContact CG1-CD2 4.29Å
73	N	85.8	Confident	77.3	Confident	90 Å²	90	78.2 Å²	78.2	48%	0.481	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	145.2	174.4	-67.6	19.8	0	0	0	110.6	I37	I37-N73 CarbonylContact O-C 3.57Å; I37-N73 WeakPolarHBondContact O-CA 3.5Å
74	L	86.1	Confident	78.2	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	38%	0.382	C	S	.	.			trans	-133.6	76.5	-176.9	-62.4	173.4	0	0	0	109	L36 I37 V38 Y56 F57 V72 F76 C77 F82	L36-L74 HydrophobicContact CB-CD1 4.14Å; L36-L74 HydrophobicContact CD1-CD1 4.17Å; L36-L74 HydrophobicContact CD2-CD1 4.46Å; I37-L74 PolarHBondContact O-N 3.02Å; V38-L74 HydrophobicContact CG2-CB 4.13Å; V38-L74 HydrophobicContact CG2-CD1 4.13Å; Y56-L74 HydrophobicContact CE1-CD2 3.83Å; F57-L74 HydrophobicContact CE1-CD1 4.25Å; F57-L74 HydrophobicContact CE1-CD2 4.18Å; F57-L74 HydrophobicContact CZ-CD1 3.87Å; F57-L74 HydrophobicContact CZ-CD2 4.36Å; V72-L74 HydrophobicContact CG1-CD2 4.29Å; L74-F76 HydrophobicContact CB-CE1 4.38Å; L74-F76 HydrophobicContact CD2-CE1 3.79Å; L74-F76 HydrophobicContact CD2-CZ 4.02Å; L74-F76 PolarHBondContact O-N 3.49Å; L74-F76 VanDerWaalsContact O-N 3.15Å; L74-C77 PolarHBondContact O-SG 2.9Å; L74-F82 HydrophobicContact CD1-CD2 4.43Å; L74-F82 HydrophobicContact CD1-CE2 3.9Å; L74-F82 HydrophobicContact CD1-CZ 4.05Å
75	D	82.8	Confident	79.6	Confident	136 Å²	136	66.7 Å²	66.7	73%	0.727	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	5.1	-170.2	-43.6	-44.6	0	0	0	113.8
76	F	84.2	Confident	81.2	Confident	93 Å²	93	59.9 Å²	59.9	41%	0.408	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	9.6	-173.4	63.8	-95.5	0	0	0	114.1	Y56 L74 L107 L111	Y56-F76 HydrophobicContact CE1-CZ 4.35Å; Y56-F76 HydrophobicContact CE2-CE1 4.43Å; Y56-F76 HydrophobicContact CE2-CZ 4.49Å; L74-F76 HydrophobicContact CB-CE1 4.38Å; L74-F76 HydrophobicContact CD2-CE1 3.79Å; L74-F76 HydrophobicContact CD2-CZ 4.02Å; L74-F76 PolarHBondContact O-N 3.49Å; L74-F76 VanDerWaalsContact O-N 3.15Å; F76-L107 HydrophobicContact CE2-CD1 4.09Å; F76-L111 HydrophobicContact CE2-CD2 4.16Å; F76-L111 HydrophobicContact CE2-CG 4.47Å; F76-L111 HydrophobicContact CZ-CD2 3.89Å
77	C	85	Confident	82.8	Confident	16 Å²	16	59.7 Å²	59.7	11%	0.108	31%	0.309	C	S	.	.	S	Bend	trans	-141.4	147	-175.5	58.3	0	0	0	0	113.9	V38 L74 L107	V38-C77 WeakPolarHBondContact CG1-O 3.29Å; V38-C77 VanDerWaalsContact CG1-SG 3.55Å; L74-C77 PolarHBondContact O-SG 2.9Å; C77-L107 HydrophobicContact CB-CD1 3.45Å; C77-L107 VanDerWaalsContact CB-CD1 3.45Å; C77-L107 HydrophobicContact CB-CD2 4.25Å; C77-L107 HydrophobicContact CB-CG 4.46Å
78	E	85.8	Confident	84.3	Confident	135 Å²	135	55.9 Å²	55.9	63%	0.631	29%	0.286	S	S	*	.			trans	-72.8	138.5	171.2	-66.2	-61.9	152.6	0	0	110.4	D80 A81 F82	E78-D80 PolarHBondContact O-N 3.1Å; E78-A81 HydrophobicContact CB-CB 4.14Å; E78-A81 PolarHBondContact O-N 2.9Å; E78-F82 PolarHBondContact O-N 2.82Å
79	P	86.5	Confident	85.9	Confident	18 Å²	18	52 Å²	52	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-42.8	-177.6	23.9	-33.1	0	0	0	112.5	V38 Q41 Y43 A81 F82 E83	V38-P79 HydrophobicContact CG1-CB 4.2Å; Q41-P79 HydrophobicContact CB-CB 4.22Å; Q41-P79 HydrophobicContact CG-CB 3.98Å; Y43-P79 WeakPolarHBondContact OH-CB 3.34Å; Y43-P79 PolarHBondContact OH-O 3.4Å; P79-A81 VanDerWaalsContact C-N 3.32Å; P79-A81 PolarHBondContact O-N 2.83Å; P79-F82 CarbonylContact O-C 3.57Å; P79-F82 PolarHBondContact O-N 3.4Å; P79-F82 VanDerWaalsContact O-N 3.12Å; P79-E83 PolarHBondContact O-N 3.44Å
80	D	86	Confident	87.1	Confident	115 Å²	115	51.3 Å²	51.3	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-59.8	-41.4	177.8	-70.6	11.1	0	0	0	112	E78 I84	E78-D80 PolarHBondContact O-N 3.1Å; D80-I84 WeakPolarHBondContact O-CD1 3.45Å; D80-I84 VanDerWaalsContact O-CG1 3.31Å; D80-I84 WeakPolarHBondContact O-CG1 3.29Å; D80-I84 PolarHBondContact O-N 2.86Å
81	A	88.8	Confident	87.6	Confident	10 Å²	10	45.5 Å²	45.5	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-38.5	176.4	0	0	0	0	0	111.3	E78 P79 V85 I104 L107	E78-A81 HydrophobicContact CB-CB 4.14Å; E78-A81 PolarHBondContact O-N 2.9Å; P79-A81 VanDerWaalsContact C-N 3.32Å; P79-A81 PolarHBondContact O-N 2.83Å; A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 2.73Å; A81-I104 HydrophobicContact CB-CG1 4.16Å; A81-L107 HydrophobicContact CB-CD2 4.04Å
82	F	91.3	Very high	87.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-40.7	176.9	-172.4	-96.9	0	0	0	112.8	L36 V38 Y43 F57 L74 E78 P79 I84 V85 L86 L107 L111	L36-F82 HydrophobicContact CD1-CE1 3.89Å; L36-F82 HydrophobicContact CD1-CE2 4.49Å; L36-F82 HydrophobicContact CD1-CZ 3.43Å; L36-F82 VanDerWaalsContact CD1-CZ 3.43Å; V38-F82 HydrophobicContact CG1-CB 4.39Å; V38-F82 HydrophobicContact CG2-CB 4.15Å; V38-F82 HydrophobicContact CG2-CD1 3.67Å; V38-F82 HydrophobicContact CG2-CD2 4.4Å; V38-F82 HydrophobicContact CG2-CE1 4.23Å; V38-F82 HydrophobicContact CG2-CG 3.78Å; Y43-F82 AromaticContact CD2-CD1 3.7Å; Y43-F82 HydrophobicContact CD2-CD1 3.7Å; Y43-F82 AromaticContact CD2-CE1 3.87Å; Y43-F82 HydrophobicContact CD2-CE1 3.87Å; Y43-F82 AromaticContact CE2-CD1 3.72Å; Y43-F82 HydrophobicContact CE2-CD1 3.72Å; Y43-F82 HydrophobicContact CE2-CE1 4.37Å; Y43-F82 HydrophobicContact CG-CD1 4.3Å; Y43-F82 HydrophobicContact CG-CE1 4.23Å; F57-F82 HydrophobicContact CE2-CE2 4.49Å; F57-F82 HydrophobicContact CZ-CE2 4.3Å; F57-F82 HydrophobicContact CZ-CZ 4.38Å; L74-F82 HydrophobicContact CD1-CD2 4.43Å; L74-F82 HydrophobicContact CD1-CE2 3.9Å; L74-F82 HydrophobicContact CD1-CZ 4.05Å; E78-F82 PolarHBondContact O-N 2.82Å; P79-F82 CarbonylContact O-C 3.57Å; P79-F82 PolarHBondContact O-N 3.4Å; P79-F82 VanDerWaalsContact O-N 3.12Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 PolarHBondContact O-N 3.45Å; F82-V85 PolarHBondContact O-N 3.43Å; F82-L86 HydrophobicContact CE1-CB 4.12Å; F82-L86 HydrophobicContact CE1-CD2 4.1Å; F82-L86 HydrophobicContact CE1-CG 4.49Å; F82-L86 HydrophobicContact CZ-CB 4.5Å; F82-L86 WeakPolarHBondContact O-CB 3.17Å; F82-L86 PolarHBondContact O-N 3.01Å; F82-L107 HydrophobicContact CB-CD2 4.31Å; F82-L107 HydrophobicContact CD2-CD2 4.41Å; F82-L111 HydrophobicContact CD2-CD1 4.27Å; F82-L111 HydrophobicContact CE2-CD1 4.02Å
83	E	89.9	Confident	87.6	Confident	70 Å²	70	47.2 Å²	47.2	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-40.3	177.6	-155.9	-148.4	136.9	0	0	111.2	Y43 P79 V85 L86 N87	Y43-E83 HydrophobicContact CE1-CB 4.18Å; Y43-E83 HydrophobicContact CE1-CG 3.95Å; P79-E83 PolarHBondContact O-N 3.44Å; E83-V85 VanDerWaalsContact C-N 3.35Å; E83-V85 PolarHBondContact O-N 3.41Å; E83-L86 PolarHBondContact O-N 3.12Å; E83-N87 VanDerWaalsContact O-CB 3.27Å; E83-N87 WeakPolarHBondContact O-CB 3.36Å; E83-N87 VanDerWaalsContact O-CG 3.25Å; E83-N87 PolarHBondContact O-N 3.42Å; E83-N87 PolarHBondContact O-ND2 2.92Å; E83-N87 VanDerWaalsContact O-ND2 3.16Å; E83-N87 PolarHBondContact OE1-ND2 3.44Å
84	I	89.4	Confident	87.6	Confident	51 Å²	51	44.7 Å²	44.7	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-42.2	175.7	-66	165.8	0	0	0	111.1	D80 F82 Y88 L94 V96 I104	D80-I84 WeakPolarHBondContact O-CD1 3.45Å; D80-I84 VanDerWaalsContact O-CG1 3.31Å; D80-I84 WeakPolarHBondContact O-CG1 3.29Å; D80-I84 PolarHBondContact O-N 2.86Å; F82-I84 VanDerWaalsContact C-N 3.31Å; F82-I84 PolarHBondContact O-N 3.45Å; I84-Y88 PolarHBondContact O-N 2.95Å; I84-L94 HydrophobicContact CG2-CD1 3.69Å; I84-L94 HydrophobicContact CG2-CG 4.25Å; I84-V96 HydrophobicContact CG2-CG2 4.25Å; I84-I104 HydrophobicContact CB-CD1 4.14Å; I84-I104 HydrophobicContact CD1-CD1 3.96Å; I84-I104 HydrophobicContact CG2-CD1 3.75Å
85	V	90.9	Very high	87.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-41.7	176.5	171.1	0	0	0	0	112	A81 F82 E83 Y88 I89 I104 L107 L111 I113 L116	A81-V85 WeakPolarHBondContact O-CG2 3.43Å; A81-V85 PolarHBondContact O-N 2.73Å; F82-V85 PolarHBondContact O-N 3.43Å; E83-V85 VanDerWaalsContact C-N 3.35Å; E83-V85 PolarHBondContact O-N 3.41Å; V85-Y88 WeakPolarHBondContact O-CB 3.32Å; V85-Y88 PolarHBondContact O-N 3.26Å; V85-I89 HydrophobicContact CG1-CD1 4.34Å; V85-I89 WeakPolarHBondContact O-CG1 3.32Å; V85-I89 PolarHBondContact O-N 3.26Å; V85-I104 HydrophobicContact CG2-CG2 4.14Å; V85-L107 HydrophobicContact CB-CD2 4.37Å; V85-L107 HydrophobicContact CG2-CD2 3.87Å; V85-L107 HydrophobicContact CG2-CG 4.3Å; V85-L111 HydrophobicContact CG1-CD1 4.01Å; V85-I113 HydrophobicContact CG1-CD1 3.67Å; V85-L116 HydrophobicContact CB-CD1 4.35Å; V85-L116 HydrophobicContact CG1-CD1 3.79Å; V85-L116 HydrophobicContact CG2-CD1 3.76Å
86	L	90.9	Very high	87.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-44.4	176.4	-175.8	65	0	0	0	111.2	Y43 L50 F82 E83 Y88 I89 Y90	Y43-L86 HydrophobicContact CD1-CD2 4.02Å; Y43-L86 HydrophobicContact CG-CD2 4.02Å; L50-L86 HydrophobicContact CD2-CD1 4.13Å; F82-L86 HydrophobicContact CE1-CB 4.12Å; F82-L86 HydrophobicContact CE1-CD2 4.1Å; F82-L86 HydrophobicContact CE1-CG 4.49Å; F82-L86 HydrophobicContact CZ-CB 4.5Å; F82-L86 WeakPolarHBondContact O-CB 3.17Å; F82-L86 PolarHBondContact O-N 3.01Å; E83-L86 PolarHBondContact O-N 3.12Å; L86-Y88 VanDerWaalsContact C-N 3.27Å; L86-Y88 PolarHBondContact O-N 3.21Å; L86-I89 WeakPolarHBondContact O-CB 3.24Å; L86-I89 PolarHBondContact O-N 3.36Å; L86-Y90 HydrophobicContact CD1-CD2 4.06Å; L86-Y90 HydrophobicContact CD1-CE2 3.81Å; L86-Y90 HydrophobicContact CG-CD2 4.5Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å; L86-Y90 PolarHBondContact O-N 3.4Å
87	N	90.1	Very high	87.6	Confident	49 Å²	49	50.5 Å²	50.5	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-31.3	175.4	-73.3	-33.2	0	0	0	111.9	R26 E83 S91	R26-N87 PolarHBondContact NH2-OD1 2.87Å; E83-N87 VanDerWaalsContact O-CB 3.27Å; E83-N87 WeakPolarHBondContact O-CB 3.36Å; E83-N87 VanDerWaalsContact O-CG 3.25Å; E83-N87 PolarHBondContact O-N 3.42Å; E83-N87 PolarHBondContact O-ND2 2.92Å; E83-N87 VanDerWaalsContact O-ND2 3.16Å; E83-N87 PolarHBondContact OE1-ND2 3.44Å; N87-S91 VanDerWaalsContact O-CB 3.25Å; N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.2Å; N87-S91 PolarHBondContact O-OG 2.86Å
88	Y	90.8	Very high	87.3	Confident	39 Å²	39	59.3 Å²	59.3	15%	0.153	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-45.8	170.3	161.1	-101.9	0	0	0	113	I84 V85 L86 Y90 S91 S92 S93 L94 I113 F115 L116	I84-Y88 PolarHBondContact O-N 2.95Å; V85-Y88 WeakPolarHBondContact O-CB 3.32Å; V85-Y88 PolarHBondContact O-N 3.26Å; L86-Y88 VanDerWaalsContact C-N 3.27Å; L86-Y88 PolarHBondContact O-N 3.21Å; Y88-Y90 PolarHBondContact O-N 3.29Å; Y88-S91 PolarHBondContact O-N 2.88Å; Y88-S92 WeakPolarHBondContact O-CA 3.46Å; Y88-S92 PolarHBondContact O-N 2.99Å; Y88-S93 WeakPolarHBondContact CA-O 3.47Å; Y88-L94 HydrophobicContact CD2-CB 3.84Å; Y88-L94 HydrophobicContact CD2-CD1 4.37Å; Y88-L94 HydrophobicContact CG-CB 4.21Å; Y88-L94 HydrophobicContact CG-CD1 3.86Å; Y88-I113 HydrophobicContact CE1-CG2 4.15Å; Y88-F115 HydrophobicContact CE1-CD1 4.21Å; Y88-F115 AromaticContact CE2-CD1 3.79Å; Y88-F115 HydrophobicContact CE2-CD1 3.79Å; Y88-F115 AromaticContact CE2-CE1 3.95Å; Y88-F115 HydrophobicContact CE2-CE1 3.95Å; Y88-F115 AromaticContact CZ-CD1 3.48Å; Y88-F115 VanDerWaalsContact CZ-CD1 3.48Å; Y88-F115 WeakPolarHBondContact OH-CB 3.4Å; Y88-F115 WeakPolarHBondContact OH-CD1 3.42Å; Y88-F115 WeakPolarHBondContact OH-CG 3.49Å; Y88-L116 HydrophobicContact CD1-CD1 4.27Å; Y88-L116 HydrophobicContact CD1-CD2 4.33Å; Y88-L116 HydrophobicContact CD1-CG 4.44Å; Y88-L116 HydrophobicContact CE1-CD1 4.45Å; Y88-L116 HydrophobicContact CE1-CD2 4.36Å; Y88-L116 HydrophobicContact CE1-CG 4.27Å
89	I	90.6	Very high	86.9	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-52.4	-40.9	176.2	-72.5	168.9	0	0	0	110.8	V49 L50 V85 L86 I113	V49-I89 HydrophobicContact CG1-CG2 3.8Å; L50-I89 HydrophobicContact CD2-CD1 4.18Å; V85-I89 HydrophobicContact CG1-CD1 4.34Å; V85-I89 WeakPolarHBondContact O-CG1 3.32Å; V85-I89 PolarHBondContact O-N 3.26Å; L86-I89 WeakPolarHBondContact O-CB 3.24Å; L86-I89 PolarHBondContact O-N 3.36Å; I89-I113 HydrophobicContact CD1-CD1 4.2Å
90	Y	90.8	Very high	86.7	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5	-178.4	-75.9	-91.6	0	0	0	115.4	L19 L22 N23 R26 H46 V49 L86 Y88	L19-Y90 CarbonylContact C-O 3.59Å; L22-Y90 HydrophobicContact CB-CD1 4.1Å; L22-Y90 HydrophobicContact CB-CE1 4.12Å; N23-Y90 HydrophobicContact CB-CD1 4.27Å; N23-Y90 HydrophobicContact CB-CG 4.49Å; N23-Y90 WeakPolarHBondContact OD1-CB 3.31Å; R26-Y90 HydrophobicContact CB-CD1 4.48Å; R26-Y90 HydrophobicContact CB-CE1 4.17Å; H46-Y90 PolarHBondContact N-OH 3.28Å; H46-Y90 AromaticContact ND1-CE1 3.54Å; H46-Y90 AromaticContact ND1-CZ 3.69Å; H46-Y90 PolarHBondContact ND1-OH 3.21Å; V49-Y90 HydrophobicContact CB-CE1 4.25Å; V49-Y90 HydrophobicContact CG1-CD1 4.38Å; V49-Y90 HydrophobicContact CG1-CE1 3.88Å; V49-Y90 HydrophobicContact CG1-CE2 4.12Å; V49-Y90 HydrophobicContact CG2-CE1 4.28Å; L86-Y90 HydrophobicContact CD1-CD2 4.06Å; L86-Y90 HydrophobicContact CD1-CE2 3.81Å; L86-Y90 HydrophobicContact CG-CD2 4.5Å; L86-Y90 WeakPolarHBondContact O-CD2 3.45Å; L86-Y90 PolarHBondContact O-N 3.4Å; Y88-Y90 PolarHBondContact O-N 3.29Å
91	S	86.2	Confident	86.7	Confident	38 Å²	38	54.6 Å²	54.6	27%	0.266	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	-6.7	-179.7	71	0	0	0	0	115.9	N87 Y88 S93	N87-S91 VanDerWaalsContact O-CB 3.25Å; N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.2Å; N87-S91 PolarHBondContact O-OG 2.86Å; Y88-S91 PolarHBondContact O-N 2.88Å; S91-S93 PolarHBondContact O-N 3.2Å; S91-S93 PolarHBondContact O-OG 3.13Å; S91-S93 PolarHBondContact OG-N 2.83Å; S91-S93 VanDerWaalsContact OG-N 3.16Å; S91-S93 PolarHBondContact OG-O 2.97Å; S91-S93 VanDerWaalsContact OG-O 3.06Å
92	S	84.1	Confident	86.6	Confident	67 Å²	67	56.9 Å²	56.9	47%	0.469	32%	0.323	S	S	.	.	S	Bend	trans	53	12.8	-166.6	-62.7	0	0	0	0	114.8	L19 Y88	L19-S92 WeakPolarHBondContact CD1-OG 3.36Å; Y88-S92 WeakPolarHBondContact O-CA 3.46Å; Y88-S92 PolarHBondContact O-N 2.99Å
93	S	83.7	Confident	86.3	Confident	55 Å²	55	58.9 Å²	58.9	39%	0.385	34%	0.339	S	S	.	.			trans	-126	127.9	-171.2	-56.5	0	0	0	0	109.4	Y88 S91	Y88-S93 WeakPolarHBondContact CA-O 3.47Å; S91-S93 PolarHBondContact O-N 3.2Å; S91-S93 PolarHBondContact O-OG 3.13Å; S91-S93 PolarHBondContact OG-N 2.83Å; S91-S93 VanDerWaalsContact OG-N 3.16Å; S91-S93 PolarHBondContact OG-O 2.97Å; S91-S93 VanDerWaalsContact OG-O 3.06Å
94	L	86.3	Confident	86.2	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.188	32%	0.324	C	S	.	.			trans	-126	124.1	-176.1	-168.8	93.1	0	0	0	109.1	I84 Y88 V96 I104 L116 I119	I84-L94 HydrophobicContact CG2-CD1 3.69Å; I84-L94 HydrophobicContact CG2-CG 4.25Å; Y88-L94 HydrophobicContact CD2-CB 3.84Å; Y88-L94 HydrophobicContact CD2-CD1 4.37Å; Y88-L94 HydrophobicContact CG-CB 4.21Å; Y88-L94 HydrophobicContact CG-CD1 3.86Å; L94-V96 HydrophobicContact CD1-CG2 4.38Å; L94-V96 HydrophobicContact CD2-CG2 3.38Å; L94-V96 HydrophobicContact CG-CG2 3.55Å; L94-I104 HydrophobicContact CD2-CG2 4.31Å; L94-L116 HydrophobicContact CD1-CD2 4.05Å; L94-L116 HydrophobicContact CD2-CD2 3.64Å; L94-L116 HydrophobicContact CG-CD2 4.46Å; L94-I119 HydrophobicContact CD2-CD1 3.17Å
95	F	83.3	Confident	86.1	Confident	179 Å²	179	55.2 Å²	55.2	79%	0.785	32%	0.321	S	S	*	.			trans	-113.4	122.8	175.4	-62	-84.7	0	0	0	107.7
96	V	85.4	Confident	86	Confident	41 Å²	41	61.5 Å²	61.5	25%	0.248	35%	0.35	C	S	.	.			trans	-141	127.7	-170	-177.6	0	0	0	0	110.2	I84 L94 L101 I104	I84-V96 HydrophobicContact CG2-CG2 4.25Å; L94-V96 HydrophobicContact CD1-CG2 4.38Å; L94-V96 HydrophobicContact CD2-CG2 3.38Å; L94-V96 HydrophobicContact CG-CG2 3.55Å; V96-L101 HydrophobicContact CB-CD1 4.29Å; V96-L101 HydrophobicContact CG1-CB 3.92Å; V96-L101 HydrophobicContact CG1-CD1 3.76Å; V96-L101 HydrophobicContact CG1-CG 4.47Å; V96-I104 HydrophobicContact CB-CD1 4.41Å; V96-I104 HydrophobicContact CG1-CD1 3.77Å; V96-I104 HydrophobicContact CG2-CD1 3.84Å
97	D	83.3	Confident	85.9	Confident	133 Å²	133	61.9 Å²	61.9	71%	0.711	35%	0.352	S	S	*	.			trans	-75.3	148.1	168.5	-77.7	-57.4	0	0	0	111.6	G99 S100 L101	D97-G99 PolarHBondContact O-N 2.92Å; D97-S100 PolarHBondContact O-N 3.14Å; D97-S100 VanDerWaalsContact O-N 3.12Å; D97-L101 PolarHBondContact O-N 2.84Å
98	K	78.7	Confident	85.8	Confident	201 Å²	201	59.6 Å²	59.6	87%	0.874	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.4	-169.8	-65.6	178.7	-177.5	173	0	114.6
99	G	78.1	Confident	85.7	Confident	67 Å²	67	64.2 Å²	64.2	69%	0.691	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-52.6	173.2	0	0	0	0	0	112.1	D97 L101	D97-G99 PolarHBondContact O-N 2.92Å; G99-L101 PolarHBondContact O-N 2.85Å; G99-L101 VanDerWaalsContact O-N 3.13Å
100	S	83.1	Confident	85.6	Confident	54 Å²	54	66.9 Å²	66.9	38%	0.378	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.8	-176.7	-38.4	0	0	0	0	114.2	D97 A102 A103 I104	D97-S100 PolarHBondContact O-N 3.14Å; D97-S100 VanDerWaalsContact O-N 3.12Å; S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 2.92Å; S100-A103 PolarHBondContact O-N 3.2Å; S100-I104 WeakPolarHBondContact O-CG1 3.21Å; S100-I104 PolarHBondContact O-N 3.06Å
101	L	86	Confident	85.4	Confident	48 Å²	48	66.9 Å²	66.9	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-60.3	-33	-178.8	-170.1	66.3	0	0	0	113.6	V96 D97 G99 Q105 I119 V120	V96-L101 HydrophobicContact CB-CD1 4.29Å; V96-L101 HydrophobicContact CG1-CB 3.92Å; V96-L101 HydrophobicContact CG1-CD1 3.76Å; V96-L101 HydrophobicContact CG1-CG 4.47Å; D97-L101 PolarHBondContact O-N 2.84Å; G99-L101 PolarHBondContact O-N 2.85Å; G99-L101 VanDerWaalsContact O-N 3.13Å; L101-Q105 WeakPolarHBondContact O-CB 3.28Å; L101-Q105 PolarHBondContact O-N 2.88Å; L101-Q105 VanDerWaalsContact O-N 3.11Å; L101-I119 HydrophobicContact CD1-CD1 4Å; L101-I119 HydrophobicContact CD1-CG1 4.18Å; L101-I119 HydrophobicContact CD1-CG2 3.92Å; L101-V120 HydrophobicContact CD2-CG2 3.91Å; L101-V120 HydrophobicContact CG-CG2 3.93Å
102	A	84.9	Confident	85.5	Confident	58 Å²	58	65.9 Å²	65.9	48%	0.479	37%	0.373	S	S	.	.	H	α-helix	trans	-68.7	-53.5	176	0	0	0	0	0	111.3	S100 I104 Q105 E106	S100-A102 VanDerWaalsContact C-N 3.28Å; S100-A102 PolarHBondContact O-N 2.92Å; A102-I104 VanDerWaalsContact C-N 3.27Å; A102-I104 PolarHBondContact O-N 2.85Å; A102-Q105 WeakPolarHBondContact O-CA 3.35Å; A102-Q105 WeakPolarHBondContact O-CB 3.45Å; A102-Q105 PolarHBondContact O-N 3.3Å; A102-E106 PolarHBondContact O-N 2.56Å
103	A	85.6	Confident	85.7	Confident	42 Å²	42	62.9 Å²	62.9	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-38.3	177.9	0	0	0	0	0	112.5	S100 E106 L107	S100-A103 PolarHBondContact O-N 3.2Å; A103-E106 PolarHBondContact O-N 3.04Å; A103-L107 WeakPolarHBondContact O-CB 3.32Å; A103-L107 PolarHBondContact O-N 3.23Å
104	I	88.3	Confident	85.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-71.9	-29.2	176.2	-70.9	166.5	0	0	0	112.3	A81 I84 V85 L94 V96 S100 A102 G108 L116	A81-I104 HydrophobicContact CB-CG1 4.16Å; I84-I104 HydrophobicContact CB-CD1 4.14Å; I84-I104 HydrophobicContact CD1-CD1 3.96Å; I84-I104 HydrophobicContact CG2-CD1 3.75Å; V85-I104 HydrophobicContact CG2-CG2 4.14Å; L94-I104 HydrophobicContact CD2-CG2 4.31Å; V96-I104 HydrophobicContact CB-CD1 4.41Å; V96-I104 HydrophobicContact CG1-CD1 3.77Å; V96-I104 HydrophobicContact CG2-CD1 3.84Å; S100-I104 WeakPolarHBondContact O-CG1 3.21Å; S100-I104 PolarHBondContact O-N 3.06Å; A102-I104 VanDerWaalsContact C-N 3.27Å; A102-I104 PolarHBondContact O-N 2.85Å; I104-G108 PolarHBondContact O-N 3.38Å; I104-L116 HydrophobicContact CG2-CD2 4.35Å
105	Q	87.7	Confident	85.6	Confident	43 Å²	43	67 Å²	67	20%	0.201	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-45.8	171.6	-171.3	-177.7	0.3	0	0	111.1	L101 A102 G108 Y109 T117 I119	L101-Q105 WeakPolarHBondContact O-CB 3.28Å; L101-Q105 PolarHBondContact O-N 2.88Å; L101-Q105 VanDerWaalsContact O-N 3.11Å; A102-Q105 WeakPolarHBondContact O-CA 3.35Å; A102-Q105 WeakPolarHBondContact O-CB 3.45Å; A102-Q105 PolarHBondContact O-N 3.3Å; Q105-G108 CarbonylContact O-C 3.47Å; Q105-G108 WeakPolarHBondContact O-CA 3.45Å; Q105-G108 PolarHBondContact O-N 3.49Å; Q105-G108 VanDerWaalsContact O-N 3.15Å; Q105-Y109 HydrophobicContact CG-CD2 4.18Å; Q105-Y109 HydrophobicContact CG-CE2 3.82Å; Q105-Y109 VanDerWaalsContact O-CD2 3.22Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.27Å; Q105-Y109 PolarHBondContact O-N 3.12Å; Q105-T117 PolarHBondContact NE2-O 3.13Å; Q105-I119 HydrophobicContact CB-CG2 4.01Å; Q105-I119 HydrophobicContact CG-CG2 4.27Å
106	E	87.6	Confident	85.6	Confident	132 Å²	132	58.4 Å²	58.4	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-62.1	-46.3	176.8	-69.5	-179.6	144.9	0	0	111.4	A102 A103 G108 Y109 S110	A102-E106 PolarHBondContact O-N 2.56Å; A103-E106 PolarHBondContact O-N 3.04Å; E106-G108 VanDerWaalsContact C-N 3.25Å; E106-G108 PolarHBondContact O-N 3.07Å; E106-Y109 WeakPolarHBondContact O-CA 3.16Å; E106-Y109 WeakPolarHBondContact O-CB 3.4Å; E106-Y109 PolarHBondContact O-N 3.08Å; E106-S110 PolarHBondContact O-N 2.88Å; E106-S110 PolarHBondContact O-OG 2.88Å
107	L	89.1	Confident	85.4	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-37.5	172	-176.1	54.4	0	0	0	112.2	F76 C77 A81 F82 V85 A103 Y109 S110 L111	F76-L107 HydrophobicContact CE2-CD1 4.09Å; C77-L107 HydrophobicContact CB-CD1 3.45Å; C77-L107 VanDerWaalsContact CB-CD1 3.45Å; C77-L107 HydrophobicContact CB-CD2 4.25Å; C77-L107 HydrophobicContact CB-CG 4.46Å; A81-L107 HydrophobicContact CB-CD2 4.04Å; F82-L107 HydrophobicContact CB-CD2 4.31Å; F82-L107 HydrophobicContact CD2-CD2 4.41Å; V85-L107 HydrophobicContact CB-CD2 4.37Å; V85-L107 HydrophobicContact CG2-CD2 3.87Å; V85-L107 HydrophobicContact CG2-CG 4.3Å; A103-L107 WeakPolarHBondContact O-CB 3.32Å; A103-L107 PolarHBondContact O-N 3.23Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; L107-Y109 PolarHBondContact O-N 3.46Å; L107-S110 PolarHBondContact O-N 3.09Å; L107-L111 HydrophobicContact CD1-CD1 3.69Å; L107-L111 HydrophobicContact CD1-CG 3.89Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.44Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 3.43Å
108	G	88.5	Confident	85.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-31.9	172.8	0	0	0	0	0	114.3	I104 Q105 E106 G112 I113 T117	I104-G108 PolarHBondContact O-N 3.38Å; Q105-G108 CarbonylContact O-C 3.47Å; Q105-G108 WeakPolarHBondContact O-CA 3.45Å; Q105-G108 PolarHBondContact O-N 3.49Å; Q105-G108 VanDerWaalsContact O-N 3.15Å; E106-G108 VanDerWaalsContact C-N 3.25Å; E106-G108 PolarHBondContact O-N 3.07Å; G108-G112 PolarHBondContact O-N 3.03Å; G108-I113 PolarHBondContact O-N 3.27Å; G108-T117 VanDerWaalsContact O-CG2 3.3Å; G108-T117 WeakPolarHBondContact O-CG2 3.4Å
109	Y	88.8	Confident	85.2	Confident	137 Å²	137	46.3 Å²	46.3	54%	0.537	28%	0.276	S	S	.	.	H	α-helix	trans	-73.4	-50.8	170.3	-77.5	-71.9	0	0	0	111.5	Q105 E106 L107 L111 G112 T117	Q105-Y109 HydrophobicContact CG-CD2 4.18Å; Q105-Y109 HydrophobicContact CG-CE2 3.82Å; Q105-Y109 VanDerWaalsContact O-CD2 3.22Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.27Å; Q105-Y109 PolarHBondContact O-N 3.12Å; E106-Y109 WeakPolarHBondContact O-CA 3.16Å; E106-Y109 WeakPolarHBondContact O-CB 3.4Å; E106-Y109 PolarHBondContact O-N 3.08Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; L107-Y109 PolarHBondContact O-N 3.46Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 3.23Å; Y109-G112 PolarHBondContact O-N 3.02Å; Y109-T117 HydrophobicContact CD1-CG2 3.46Å; Y109-T117 VanDerWaalsContact CD1-CG2 3.46Å; Y109-T117 HydrophobicContact CE1-CG2 3.81Å; Y109-T117 WeakPolarHBondContact CE2-O 3.45Å; Y109-T117 HydrophobicContact CG-CG2 3.87Å; Y109-T117 VanDerWaalsContact CZ-O 3.27Å; Y109-T117 PolarHBondContact OH-O 3.28Å; Y109-T117 VanDerWaalsContact OH-O 3.1Å
110	S	87.8	Confident	84.9	Confident	64 Å²	64	47.2 Å²	47.2	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-35.9	-178.4	-59.1	0	0	0	0	113.1	E106 L107	E106-S110 PolarHBondContact O-N 2.88Å; E106-S110 PolarHBondContact O-OG 2.88Å; L107-S110 PolarHBondContact O-N 3.09Å
111	L	87.9	Confident	84.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5	175.2	-64.9	175.1	0	0	0	113.9	S54 Y56 F57 F76 F82 V85 L107 Y109 I113	S54-L111 WeakPolarHBondContact CB-O 3.19Å; S54-L111 PolarHBondContact OG-O 2.85Å; Y56-L111 WeakPolarHBondContact CB-O 3.34Å; Y56-L111 HydrophobicContact CD1-CD2 3.86Å; Y56-L111 HydrophobicContact CE1-CD2 4.39Å; Y56-L111 HydrophobicContact CG-CD2 4.37Å; Y56-L111 PolarHBondContact N-O 3.17Å; F57-L111 HydrophobicContact CE2-CD2 3.79Å; F57-L111 HydrophobicContact CZ-CD2 3.95Å; F76-L111 HydrophobicContact CE2-CD2 4.16Å; F76-L111 HydrophobicContact CE2-CG 4.47Å; F76-L111 HydrophobicContact CZ-CD2 3.89Å; F82-L111 HydrophobicContact CD2-CD1 4.27Å; F82-L111 HydrophobicContact CE2-CD1 4.02Å; V85-L111 HydrophobicContact CG1-CD1 4.01Å; L107-L111 HydrophobicContact CD1-CD1 3.69Å; L107-L111 HydrophobicContact CD1-CG 3.89Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.44Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 3.43Å; Y109-L111 VanDerWaalsContact C-N 3.29Å; Y109-L111 PolarHBondContact O-N 3.23Å; L111-I113 HydrophobicContact CB-CD1 3.78Å; L111-I113 HydrophobicContact CB-CG1 3.84Å; L111-I113 HydrophobicContact CD1-CD1 4.02Å
112	G	87.3	Confident	83.2	Confident	17 Å²	17	50 Å²	50	18%	0.175	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	54.3	-177.1	0	0	0	0	0	112.8	E55 G108 Y109 P114	E55-G112 PolarHBondContact N-O 3.27Å; E55-G112 VanDerWaalsContact N-O 3.11Å; G108-G112 PolarHBondContact O-N 3.03Å; Y109-G112 PolarHBondContact O-N 3.02Å; G112-P114 WeakPolarHBondContact O-CD 3.48Å
113	I	88.1	Confident	81.5	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.303	C	S	.	.			trans	-108.9	99.6	-179.7	-58.1	178.5	0	0	0	108.8	V85 Y88 I89 G108 L111 F115 L116 T117	V85-I113 HydrophobicContact CG1-CD1 3.67Å; Y88-I113 HydrophobicContact CE1-CG2 4.15Å; I89-I113 HydrophobicContact CD1-CD1 4.2Å; G108-I113 PolarHBondContact O-N 3.27Å; L111-I113 HydrophobicContact CB-CD1 3.78Å; L111-I113 HydrophobicContact CB-CG1 3.84Å; L111-I113 HydrophobicContact CD1-CD1 4.02Å; I113-F115 PolarHBondContact O-N 3.47Å; I113-L116 HydrophobicContact CB-CB 4.38Å; I113-L116 HydrophobicContact CB-CD1 4.08Å; I113-L116 HydrophobicContact CB-CG 4.33Å; I113-L116 HydrophobicContact CD1-CD1 4.02Å; I113-L116 HydrophobicContact CG2-CB 4.33Å; I113-L116 HydrophobicContact CG2-CD1 3.82Å; I113-L116 HydrophobicContact CG2-CG 3.85Å; I113-L116 PolarHBondContact O-N 3.23Å; I113-T117 PolarHBondContact O-N 3.48Å
114	P	82.8	Confident	80.3	Confident	86 Å²	86	60.4 Å²	60.4	56%	0.558	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.7	-163.6	-28.4	36.5	0	0	0	117	G112 T117	G112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-T117 PolarHBondContact O-OG1 3.38Å; P114-T117 VanDerWaalsContact O-OG1 3.09Å
115	F	85.2	Confident	78.3	Confident	91 Å²	91	68.9 Å²	68.9	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-41.9	173.2	175.8	-104.9	0	0	0	112.4	Y88 I113 T122	Y88-F115 HydrophobicContact CE1-CD1 4.21Å; Y88-F115 AromaticContact CE2-CD1 3.79Å; Y88-F115 HydrophobicContact CE2-CD1 3.79Å; Y88-F115 AromaticContact CE2-CE1 3.95Å; Y88-F115 HydrophobicContact CE2-CE1 3.95Å; Y88-F115 AromaticContact CZ-CD1 3.48Å; Y88-F115 VanDerWaalsContact CZ-CD1 3.48Å; Y88-F115 WeakPolarHBondContact OH-CB 3.4Å; Y88-F115 WeakPolarHBondContact OH-CD1 3.42Å; Y88-F115 WeakPolarHBondContact OH-CG 3.49Å; I113-F115 PolarHBondContact O-N 3.47Å; F115-T122 HydrophobicContact CE2-CG2 4.36Å
116	L	84.1	Confident	75.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-74.8	-37	-173.6	-63	179.1	0	0	0	111.9	V85 Y88 L94 I104 I113 N118 I119	V85-L116 HydrophobicContact CB-CD1 4.35Å; V85-L116 HydrophobicContact CG1-CD1 3.79Å; V85-L116 HydrophobicContact CG2-CD1 3.76Å; Y88-L116 HydrophobicContact CD1-CD1 4.27Å; Y88-L116 HydrophobicContact CD1-CD2 4.33Å; Y88-L116 HydrophobicContact CD1-CG 4.44Å; Y88-L116 HydrophobicContact CE1-CD1 4.45Å; Y88-L116 HydrophobicContact CE1-CD2 4.36Å; Y88-L116 HydrophobicContact CE1-CG 4.27Å; L94-L116 HydrophobicContact CD1-CD2 4.05Å; L94-L116 HydrophobicContact CD2-CD2 3.64Å; L94-L116 HydrophobicContact CG-CD2 4.46Å; I104-L116 HydrophobicContact CG2-CD2 4.35Å; I113-L116 HydrophobicContact CB-CB 4.38Å; I113-L116 HydrophobicContact CB-CD1 4.08Å; I113-L116 HydrophobicContact CB-CG 4.33Å; I113-L116 HydrophobicContact CD1-CD1 4.02Å; I113-L116 HydrophobicContact CG2-CB 4.33Å; I113-L116 HydrophobicContact CG2-CD1 3.82Å; I113-L116 HydrophobicContact CG2-CG 3.85Å; I113-L116 PolarHBondContact O-N 3.23Å; L116-N118 PolarHBondContact O-N 3.46Å; L116-I119 HydrophobicContact CD2-CD1 4.32Å; L116-I119 WeakPolarHBondContact O-CB 3.33Å; L116-I119 VanDerWaalsContact O-CG2 3.24Å; L116-I119 WeakPolarHBondContact O-CG2 3.44Å; L116-I119 PolarHBondContact O-N 3.08Å
117	T	81.4	Confident	73.3	Confident	17 Å²	17	69.1 Å²	69.1	10%	0.104	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-51.8	-31.9	175.3	55.5	0	0	0	0	113.8	Q105 G108 Y109 I113 P114	Q105-T117 PolarHBondContact NE2-O 3.13Å; G108-T117 VanDerWaalsContact O-CG2 3.3Å; G108-T117 WeakPolarHBondContact O-CG2 3.4Å; Y109-T117 HydrophobicContact CD1-CG2 3.46Å; Y109-T117 VanDerWaalsContact CD1-CG2 3.46Å; Y109-T117 HydrophobicContact CE1-CG2 3.81Å; Y109-T117 WeakPolarHBondContact CE2-O 3.45Å; Y109-T117 HydrophobicContact CG-CG2 3.87Å; Y109-T117 VanDerWaalsContact CZ-O 3.27Å; Y109-T117 PolarHBondContact OH-O 3.28Å; Y109-T117 VanDerWaalsContact OH-O 3.1Å; I113-T117 PolarHBondContact O-N 3.48Å; P114-T117 PolarHBondContact O-OG1 3.38Å; P114-T117 VanDerWaalsContact O-OG1 3.09Å
118	N	78.8	Confident	70.6	Confident	88 Å²	88	79.1 Å²	79.1	47%	0.471	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-107.3	9.8	-176.9	-74.7	-94.7	0	0	0	113.2	L116 V120 S121 T122	L116-N118 PolarHBondContact O-N 3.46Å; N118-V120 VanDerWaalsContact C-N 3.34Å; N118-V120 PolarHBondContact O-N 2.8Å; N118-S121 WeakPolarHBondContact O-CA 3.43Å; N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 3.03Å; N118-T122 PolarHBondContact O-N 3.16Å
119	I	79.4	Confident	67.6	Low	16 Å²	16	84.1 Å²	84.1	8%	0.082	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-58.2	-40.5	-165.4	-167.3	168.8	0	0	0	114	L94 L101 Q105 L116 S121 T122	L94-I119 HydrophobicContact CD2-CD1 3.17Å; L101-I119 HydrophobicContact CD1-CD1 4Å; L101-I119 HydrophobicContact CD1-CG1 4.18Å; L101-I119 HydrophobicContact CD1-CG2 3.92Å; Q105-I119 HydrophobicContact CB-CG2 4.01Å; Q105-I119 HydrophobicContact CG-CG2 4.27Å; L116-I119 HydrophobicContact CD2-CD1 4.32Å; L116-I119 WeakPolarHBondContact O-CB 3.33Å; L116-I119 VanDerWaalsContact O-CG2 3.24Å; L116-I119 WeakPolarHBondContact O-CG2 3.44Å; L116-I119 PolarHBondContact O-N 3.08Å; I119-S121 PolarHBondContact O-N 2.88Å; I119-T122 WeakPolarHBondContact O-CB 3.49Å; I119-T122 PolarHBondContact O-N 3.27Å; I119-T122 PolarHBondContact O-OG1 2.85Å
120	V	70.7	Confident	64.8	Low	85 Å²	85	84 Å²	84	52%	0.515	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.8	177.2	177.1	0	0	0	0	112.5	L101 N118	L101-V120 HydrophobicContact CD2-CG2 3.91Å; L101-V120 HydrophobicContact CG-CG2 3.93Å; N118-V120 VanDerWaalsContact C-N 3.34Å; N118-V120 PolarHBondContact O-N 2.8Å
121	S	65.4	Low	62	Low	107 Å²	107	86.3 Å²	86.3	75%	0.748	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-86.1	-14.6	172.2	-70.6	0	0	0	0	113.7	N118 I119	N118-S121 WeakPolarHBondContact O-CA 3.43Å; N118-S121 WeakPolarHBondContact O-CB 3.47Å; N118-S121 PolarHBondContact O-N 3.03Å; I119-S121 PolarHBondContact O-N 2.88Å
122	T	67.6	Low	59.3	Low	53 Å²	53	96.9 Å²	96.9	33%	0.325	53%	0.529	S	S	.	.	S	Bend	trans	-76.9	143	173.2	73.5	0	0	0	0	110.3	F115 N118 I119	F115-T122 HydrophobicContact CE2-CG2 4.36Å; N118-T122 PolarHBondContact O-N 3.16Å; I119-T122 WeakPolarHBondContact O-CB 3.49Å; I119-T122 PolarHBondContact O-N 3.27Å; I119-T122 PolarHBondContact O-OG1 2.85Å
123	R	50.7	Low	56.5	Low	202 Å²	202	105.4 Å²	105.4	76%	0.762	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-80	122.8	168.5	-74.8	179.8	171.2	173.2	-5.3	108	H125 H490	R123-H125 PolarHBondContact O-N 3.19Å; R123-H490 PolarHBondContact NH2-NE2 3.44Å
124	P	59.3	Low	53.7	Low	118 Å²	118	116.5 Å²	116.5	77%	0.766	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-57.4	136.6	171.2	24.7	-33.2	0	0	0	108.9	A126	P124-A126 PolarHBondContact O-N 3.27Å
125	H	46.6	Very low	51	Low	177 Å²	177	120.4 Å²	120.4	82%	0.819	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.7	173.2	-155.6	89.6	0	0	0	108.4	R123 S127	R123-H125 PolarHBondContact O-N 3.19Å; H125-S127 PolarHBondContact O-N 2.81Å; H125-S127 VanDerWaalsContact O-N 3.08Å
126	A	34.8	Very low	48.1	Very low	84 Å²	84	120.7 Å²	120.7	69%	0.694	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-59.6	119.5	-176.4	0	0	0	0	0	109.6	P124 Y128	P124-A126 PolarHBondContact O-N 3.27Å; A126-Y128 PolarHBondContact O-N 3.46Å
127	S	35.3	Very low	45.3	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-63.3	129.4	-175.2	49.5	0	0	0	0	110.7	H125 C129	H125-S127 PolarHBondContact O-N 2.81Å; H125-S127 VanDerWaalsContact O-N 3.08Å; S127-C129 PolarHBondContact O-N 3.45Å
128	Y	31.7	Very low	42.9	Very low	220 Å²	220	135.7 Å²	135.7	86%	0.863	70%	0.704	S	S	*	*			trans	-63.9	103.3	161.4	-82.4	-90.5	0	0	0	107.9	A126 V130	A126-Y128 PolarHBondContact O-N 3.46Å; Y128-V130 PolarHBondContact O-N 3.49Å
129	C	25.8	Very low	40.8	Very low	105 Å²	105	141.1 Å²	141.1	71%	0.709	73%	0.726	S	S	*	*			trans	-70.5	95.8	-177.4	-65.2	0	0	0	0	111	S127 S131	S127-C129 PolarHBondContact O-N 3.45Å; C129-S131 PolarHBondContact O-N 2.71Å
130	V	30.3	Very low	38.3	Very low	135 Å²	135	144 Å²	144	82%	0.818	76%	0.76	S	S	*	*			trans	-80.3	104.2	160.4	-179.3	0	0	0	0	107.7	Y128 R132	Y128-V130 PolarHBondContact O-N 3.49Å; V130-R132 PolarHBondContact O-N 2.67Å
131	S	29.5	Very low	36.4	Very low	111 Å²	111	147.3 Å²	147.3	78%	0.776	78%	0.775	S	S	*	*			trans	-68.7	96.1	-173.8	-58.9	0	0	0	0	112.9	C129 K133	C129-S131 PolarHBondContact O-N 2.71Å; S131-K133 PolarHBondContact O-N 2.86Å
132	R	30.6	Very low	34.9	Very low	222 Å²	222	149.1 Å²	149.1	84%	0.838	77%	0.771	S	S	*	*			trans	-73.5	112.8	157.7	-77.8	-170.9	175.4	-176.8	-0.6	109	V130	V130-R132 PolarHBondContact O-N 2.67Å
133	K	28.4	Very low	33.2	Very low	197 Å²	197	153 Å²	153	86%	0.857	79%	0.79	S	S	*	*			trans	-60.7	137	164	-85.7	-174.7	172.5	-177.2	0	108.8	S131	S131-K133 PolarHBondContact O-N 2.86Å
134	R	29	Very low	32.1	Very low	236 Å²	236	151 Å²	151	89%	0.891	79%	0.794	S	S	*	*			trans	-77.5	122.1	164.4	-175.5	-176.9	-68.9	-173.6	-3.8	107.8
135	L	27.8	Very low	31.3	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	79%	0.792	S	S	*	*			trans	-108.6	150.4	160.1	-79.5	167.4	0	0	0	107.6
136	S	24.2	Very low	30.5	Very low	96 Å²	96	148.8 Å²	148.8	67%	0.671	79%	0.789	S	S	*	*			trans	-150.4	104.6	-170.8	52.2	0	0	0	0	111
137	Y	25.2	Very low	30.4	Very low	231 Å²	231	150.6 Å²	150.6	91%	0.906	79%	0.792	S	S	*	*			trans	-178	141.1	169.4	-104.9	-83	0	0	0	104.3
138	S	29.8	Very low	30.1	Very low	102 Å²	102	157.9 Å²	157.9	71%	0.713	81%	0.805	S	S	*	*			cis	-156.8	177.6	-23.6	45.2	0	0	0	0	106.9
139	E	34.8	Very low	29.9	Very low	201 Å²	201	152.8 Å²	152.8	94%	0.939	80%	0.802	S	S	*	*			trans	-65.1	149.4	-179.5	-69.3	161.7	137.6	0	0	112.9
140	G	27.3	Very low	30.1	Very low	77 Å²	77	153.5 Å²	153.5	79%	0.794	80%	0.802	S	S	*	*			trans	-175.2	144.6	-177.4	0	0	0	0	0	108.7
141	D	30.5	Very low	30.1	Very low	154 Å²	154	153.3 Å²	153.3	82%	0.824	80%	0.795	S	S	*	*			trans	-96.3	171.5	-148.8	-136.7	-20.6	0	0	0	116.3
142	E	34.1	Very low	30.1	Very low	145 Å²	145	153.6 Å²	153.6	68%	0.678	79%	0.792	S	S	*	*			trans	66.3	122.6	156.6	-73.1	-74.4	106.7	0	0	121.6
143	N	31.2	Very low	30	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	79%	0.789	S	S	*	*			trans	19.5	113.5	141	-60.6	-56	0	0	0	121.3
144	D	27.2	Very low	30	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	79%	0.787	S	S	*	*				-161	161.8	115.5	-148.6	-13.8	0	0	0	112.2
145	A	42.9	Very low	30	Very low	87 Å²	87	144.2 Å²	144.2	72%	0.719	78%	0.782	S	S	*	*			trans	-110.5	87.1	-170.5	0	0	0	0	0	113.6
146	Q	30.7	Very low	30	Very low	162 Å²	162	142.1 Å²	142.1	76%	0.757	77%	0.767	S	S	*	*			trans	-130.7	121.8	177.1	-149.6	76.8	57.9	0	0	114.7
147	T	32.3	Very low	30.2	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	77%	0.773	S	S	*	*			trans	-9	117.6	165.4	56.2	0	0	0	0	118.5	S149	T147-S149 PolarHBondContact O-N 2.97Å
148	R	27.8	Very low	30.2	Very low	249 Å²	249	139.3 Å²	139.3	94%	0.94	76%	0.761	S	S	*	*			trans	-81.2	112.2	165.7	-83.1	-175	166.7	-174	-0.6	111.9
149	S	28.9	Very low	30.2	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	77%	0.768	S	S	*	*			trans	-81.9	131.3	169.5	51.2	0	0	0	0	111.7	T147	T147-S149 PolarHBondContact O-N 2.97Å
150	V	29.2	Very low	29.9	Very low	119 Å²	119	135.8 Å²	135.8	72%	0.721	76%	0.757	S	S	*	*			trans	-81	133.3	-179.1	177.7	0	0	0	0	110.9	V152	V150-V152 PolarHBondContact O-N 3.2Å; V150-V152 VanDerWaalsContact O-N 3.14Å
151	I	30	Very low	29.9	Very low	131 Å²	131	140.7 Å²	140.7	67%	0.672	76%	0.759	S	S	*	*			trans	-72	106.2	-179.4	-58.8	173.4	0	0	0	110.2	C153	I151-C153 PolarHBondContact O-N 2.95Å
152	V	30.3	Very low	29.9	Very low	117 Å²	117	139.5 Å²	139.5	71%	0.709	76%	0.76	S	S	*	*			trans	-74.5	118.8	170.5	178.3	0	0	0	0	110	V150 R154	V150-V152 PolarHBondContact O-N 3.2Å; V150-V152 VanDerWaalsContact O-N 3.14Å; V152-R154 VanDerWaalsContact C-N 3.31Å; V152-R154 PolarHBondContact O-N 3.23Å
153	C	27.5	Very low	29.4	Very low	115 Å²	115	137.6 Å²	137.6	78%	0.777	76%	0.762	S	S	*	*			trans	-69.5	84.5	170.4	-77.7	0	0	0	0	111.1	I151 V155	I151-C153 PolarHBondContact O-N 2.95Å; C153-V155 PolarHBondContact O-N 3.22Å
154	R	28.8	Very low	29.3	Very low	215 Å²	215	139.9 Å²	139.9	81%	0.811	77%	0.769	S	S	*	*			trans	-66.2	95.4	177.1	-169.8	-179.9	-167.6	173.8	4.2	111.1	V152 Q156	V152-R154 VanDerWaalsContact C-N 3.31Å; V152-R154 PolarHBondContact O-N 3.23Å; R154-Q156 PolarHBondContact O-N 3.06Å
155	V	30.4	Very low	29.2	Very low	129 Å²	129	137.1 Å²	137.1	78%	0.782	76%	0.761	S	S	*	*			trans	-69.5	97.6	170.6	179.1	0	0	0	0	108.8	C153 N157	C153-V155 PolarHBondContact O-N 3.22Å; V155-N157 PolarHBondContact O-N 2.77Å; V155-N157 VanDerWaalsContact O-N 3.16Å
156	Q	27.4	Very low	28.4	Very low	124 Å²	124	139.2 Å²	139.2	58%	0.579	76%	0.761	S	S	*	*			trans	-83	92.2	-173.6	-174.9	169.2	-3.6	0	0	111.8	R154 N158	R154-Q156 PolarHBondContact O-N 3.06Å; Q156-N158 VanDerWaalsContact C-N 3.32Å; Q156-N158 VanDerWaalsContact CG-OD1 3.25Å; Q156-N158 WeakPolarHBondContact CG-OD1 3.42Å; Q156-N158 PolarHBondContact NE2-ND2 2.84Å; Q156-N158 VanDerWaalsContact NE2-ND2 3.15Å; Q156-N158 PolarHBondContact NE2-OD1 3.44Å; Q156-N158 PolarHBondContact O-N 3.29Å
157	N	27.3	Very low	28.2	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	76%	0.758	S	S	*	*			trans	-69.6	85.1	165.8	-82.3	-12.1	0	0	0	110.5	V155 T159	V155-N157 PolarHBondContact O-N 2.77Å; V155-N157 VanDerWaalsContact O-N 3.16Å; N157-T159 PolarHBondContact O-N 3.35Å; N157-T159 VanDerWaalsContact O-N 3.12Å
158	N	26.5	Very low	28.1	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	76%	0.764	S	S	*	*			trans	-78.7	88	173	-82.9	-18.2	0	0	0	111.6	Q156	Q156-N158 VanDerWaalsContact C-N 3.32Å; Q156-N158 VanDerWaalsContact CG-OD1 3.25Å; Q156-N158 WeakPolarHBondContact CG-OD1 3.42Å; Q156-N158 PolarHBondContact NE2-ND2 2.84Å; Q156-N158 VanDerWaalsContact NE2-ND2 3.15Å; Q156-N158 PolarHBondContact NE2-OD1 3.44Å; Q156-N158 PolarHBondContact O-N 3.29Å
159	T	30.1	Very low	28	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	75%	0.754	S	S	*	*			trans	-95.9	94.8	152.2	39.3	0	0	0	0	109.3	N157	N157-T159 PolarHBondContact O-N 3.35Å; N157-T159 VanDerWaalsContact O-N 3.12Å
160	A	27.1	Very low	28	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	76%	0.758	S	S	*	*			trans	-137	136.5	168.3	0	0	0	0	0	108.7
161	H	28.7	Very low	27.8	Very low	179 Å²	179	139.3 Å²	139.3	83%	0.829	76%	0.761	S	S	*	*			trans	-75.7	143.7	-179.1	-70	-104.2	0	0	0	111.1
162	P	29	Very low	27.6	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	76%	0.76	S	S	*	*			trans	-75.9	131.1	171.3	30.9	-33	0	0	0	110.9
163	S	24.6	Very low	27.3	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	76%	0.762	S	S	*	*			trans	-130.3	93.2	179.2	-67.1	0	0	0	0	111.8
164	H	28.8	Very low	27.2	Very low	184 Å²	184	145.4 Å²	145.4	85%	0.852	77%	0.768	S	S	*	*			trans	-138.4	108.6	159.5	-75.9	-93.9	0	0	0	106.2
165	S	24.2	Very low	26.9	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	76%	0.764	S	S	*	*				74.1	102.8	68.8	-174.6	0	0	0	0	113.1
166	N	27.6	Very low	27.4	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	77%	0.765	S	S	*	*				-171.4	168.7	106.1	-119.8	-51.1	0	0	0	115.5
167	Y	26.8	Very low	27.1	Very low	180 Å²	180	139 Å²	139	71%	0.706	77%	0.772	S	S	*	*			trans	80.1	102.8	161.9	-64	-63	0	0	0	123.5
168	Q	29.4	Very low	28.1	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	77%	0.772	S	S	*	*				72.6	146.3	125.1	-72.9	171.9	-4.4	0	0	123.8
169	G	26.5	Very low	28	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	78%	0.782	S	S	*	*			trans	100.5	124.8	176.8	0	0	0	0	0	112.5
170	K	27.4	Very low	27.7	Very low	203 Å²	203	140.7 Å²	140.7	88%	0.883	78%	0.776	S	S	*	*			cis	54.2	120.8	39.8	-63.7	-171.1	177.6	-175.9	0	111.7
171	T	26.3	Very low	28.7	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	78%	0.779	S	S	*	*			cis	-159.2	179.9	14	6.2	0	0	0	0	111.7
172	S	24.2	Very low	28.7	Very low	92 Å²	92	145.8 Å²	145.8	64%	0.643	79%	0.785	S	S	*	*			trans	-1.8	151.1	153.5	-74.1	0	0	0	0	120.8
173	E	25.6	Very low	28.6	Very low	164 Å²	164	143.3 Å²	143.3	77%	0.766	78%	0.783	S	S	*	*			cis	-173.5	177.6	-6.1	-119.6	170.3	106.1	0	0	110.8
174	R	24	Very low	28.9	Very low	235 Å²	235	143.5 Å²	143.5	89%	0.887	79%	0.791	S	S	*	*			trans	72.3	121.2	153	-124.6	172.4	-174.4	148.5	2.8	120.4
175	S	24.2	Very low	28.7	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	79%	0.789	S	S	*	*			trans	-80.7	169.6	161.1	58.5	0	0	0	0	111.2
176	P	39.5	Very low	29.3	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	80%	0.796	S	S	*	*				-150.1	-162.4	74.5	41.4	-20	0	0	0	116.1
177	S	22.2	Very low	29.3	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	80%	0.799	S	S	*	*			trans	-94.2	-156.8	179.4	59.8	0	0	0	0	111.5
178	P	47.3	Very low	29.2	Very low	120 Å²	120	142 Å²	142	78%	0.779	80%	0.8	S	S	*	*			cis	-133.5	-138.7	-4.2	39.8	-16.8	0	0	0	115.2
179	Y	25.3	Very low	29.1	Very low	218 Å²	218	137.8 Å²	137.8	86%	0.855	79%	0.791	S	S	*	*			trans	-99	161.7	-157.4	-79.2	-101.6	0	0	0	117.6
180	S	23.1	Very low	29.2	Very low	109 Å²	109	142 Å²	142	76%	0.762	79%	0.792	S	S	*	*			trans	74.7	167.1	149.4	-74.7	0	0	0	0	119.6
181	P	48.9	Very low	29.2	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	78%	0.783	S	S	*	*			cis	-138.8	170.8	-38.2	38.2	-21.4	0	0	0	116.1
182	R	27.1	Very low	29.2	Very low	253 Å²	253	140.2 Å²	140.2	96%	0.955	78%	0.783	S	S	*	*			trans	21.6	123.3	152.4	-176.3	-176.6	-84.5	-140.1	-1.6	120.9
183	G	26.8	Very low	29.4	Very low	77 Å²	77	140.6 Å²	140.6	79%	0.794	79%	0.785	S	S	*	*			trans	-156.3	169.4	161.6	0	0	0	0	0	112.1
184	A	30.9	Very low	29.6	Very low	109 Å²	109	140.3 Å²	140.3	90%	0.901	78%	0.783	S	S	*	*			trans	-150.3	155.6	-170.5	0	0	0	0	0	115.5
185	A	26.4	Very low	29.8	Very low	99 Å²	99	136.2 Å²	136.2	82%	0.818	77%	0.774	S	S	*	*			trans	-169.8	157.7	153.4	0	0	0	0	0	111.8
186	Q	35.6	Very low	30	Very low	179 Å²	179	136 Å²	136	84%	0.836	77%	0.773	S	S	*	*			trans	-97.3	171.4	172	-65	144	-81.3	0	0	109.7
187	L	27	Very low	29.5	Very low	145 Å²	145	136.5 Å²	136.5	76%	0.759	77%	0.774	S	S	*	*			cis	-152.6	172.3	37.6	-71.8	163.1	0	0	0	107.8
188	L	25.6	Very low	29.8	Very low	142 Å²	142	140.7 Å²	140.7	74%	0.743	78%	0.778	S	S	*	*			cis	-162.2	164.5	-6	-109	161.7	0	0	0	104.7
189	S	27.9	Very low	28.7	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	78%	0.779	S	S	*	*			cis	-137.2	-126.7	2.9	-161.4	0	0	0	0	109.4
190	E	27.6	Very low	28.8	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.743	77%	0.773	S	S	*	*			cis	-156.1	-177.9	1	-131.4	-108.4	67.2	0	0	109.8
191	H	28.3	Very low	29	Very low	147 Å²	147	139.5 Å²	139.5	68%	0.681	77%	0.774	S	S	*	*			trans	-66.5	158.5	-179.1	-72.4	-80.9	0	0	0	114.3
192	N	24.7	Very low	27.9	Very low	147 Å²	147	140.1 Å²	140.1	79%	0.786	78%	0.776	S	S	*	*			cis	-148.4	171.1	6.5	-117.1	-20.5	0	0	0	112.9
193	S	29.6	Very low	27.9	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	77%	0.769	S	S	*	*			trans	-121.3	-179.6	-162.7	61.7	0	0	0	0	113
194	H	29.3	Very low	27.8	Very low	157 Å²	157	133 Å²	133	73%	0.727	76%	0.763	S	S	*	*			cis	-156.6	175.5	-12.5	-136.3	-124	0	0	0	111.8
195	E	27.8	Very low	27.6	Very low	149 Å²	149	137.8 Å²	137.8	70%	0.696	76%	0.764	S	S	*	*			trans	6	129.8	156.4	-79.9	179.8	120.1	0	0	125.7
196	S	28.6	Very low	27.6	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	76%	0.761	S	S	*	*				47.7	127.2	101.8	-49.6	0	0	0	0	124.5
197	V	28.8	Very low	27.1	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	76%	0.763	S	S	*	*			trans	86.6	148.2	135.4	166.1	0	0	0	0	121.1
198	K	28.8	Very low	27.2	Very low	194 Å²	194	137.2 Å²	137.2	84%	0.843	77%	0.766	S	S	*	*			trans	93.3	171.3	166.5	-90.8	166.7	-176.1	176.3	0	119.3
199	N	24.9	Very low	27.3	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	77%	0.773	S	S	*	*			trans	-115.6	-178.8	-150.3	-64.2	-17.5	0	0	0	113.9
200	S	26.9	Very low	27	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	77%	0.774	S	S	*	*			trans	79.7	112.5	151.1	33.3	0	0	0	0	120.9
201	E	27.6	Very low	27	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	78%	0.779	S	S	*	*				81.9	127.6	125.5	-65.8	-170.1	140.2	0	0	124.3
202	T	26.8	Very low	28.2	Very low	132 Å²	132	139.9 Å²	139.9	81%	0.81	78%	0.783	S	S	*	*			trans	78.1	130.3	142	54.2	0	0	0	0	124.1
203	S	25.6	Very low	29.6	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.777	S	S	*	*			trans	64.8	94	134.8	-173.3	0	0	0	0	122.5
204	G	26.1	Very low	29.5	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	77%	0.773	S	S	*	*				80	150.3	100.6	0	0	0	0	0	121.4
205	K	26.6	Very low	29.6	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	77%	0.774	S	S	*	*			trans	70.8	154.4	178	-60.1	179.9	-178.5	178.2	0	116.1
206	S	26.1	Very low	29.6	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	78%	0.781	S	S	*	*			cis	175.7	123.7	-47.8	47.9	0	0	0	0	109.4
207	S	25.5	Very low	29.5	Very low	128 Å²	128	143.8 Å²	143.8	90%	0.895	78%	0.783	S	S	*	*			trans	-168.5	164.3	157	-157.6	0	0	0	0	111.9
208	E	28.2	Very low	29.3	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	78%	0.783	S	S	*	*			trans	-125.6	146.2	-174.6	-59.6	173.2	80.4	0	0	112.5
209	Q	27	Very low	29.1	Very low	188 Å²	188	148.7 Å²	148.7	88%	0.879	78%	0.783	S	S	*	*			trans	-159.8	148.9	150.4	-137.6	89.3	63.4	0	0	114.1
210	S	23.5	Very low	30.6	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	78%	0.778	S	S	*	*			trans	-39.1	142.3	177.7	46.8	0	0	0	0	119.6
211	K	27.1	Very low	30.5	Very low	198 Å²	198	152 Å²	152	86%	0.861	78%	0.784	S	S	*	*				56.8	155.7	70.5	-91.3	-176.3	-177.5	173.7	0	115.6
212	P	52.3	Low	30.4	Very low	115 Å²	115	148.1 Å²	148.1	75%	0.747	78%	0.776	S	S	*	*			cis	-133.2	-143.8	-11.7	43.5	-23.6	0	0	0	110.8
213	P	54.5	Low	30.5	Very low	102 Å²	102	147.6 Å²	147.6	66%	0.662	77%	0.772	S	S	*	*			cis	-120.2	169.7	-22.6	32.2	-10.7	0	0	0	114
214	E	28.1	Very low	30.6	Very low	135 Å²	135	149.2 Å²	149.2	63%	0.631	77%	0.77	S	S	*	*				-173.2	-167.6	73.5	-81.7	-79	107	0	0	110
215	R	32	Very low	30.7	Very low	196 Å²	196	153.3 Å²	153.3	74%	0.74	78%	0.776	S	S	*	*				-173.1	162.5	-63.7	-158.5	165.1	-173	167.4	-5	110.5
216	K	26.1	Very low	30.7	Very low	196 Å²	196	151 Å²	151	85%	0.852	77%	0.766	S	S	*	*			trans	72	141.9	177.4	-50.7	174.7	-176.9	174.7	0	115
217	S	27	Very low	30.5	Very low	104 Å²	104	152.2 Å²	152.2	73%	0.727	76%	0.76	S	S	*	*			cis	177.3	148.5	-9.3	164.8	0	0	0	0	106.7
218	R	24.2	Very low	30.5	Very low	220 Å²	220	152.2 Å²	152.2	83%	0.83	75%	0.75	S	S	*	*			cis	-154	146.2	-3.2	-107.6	173.4	167.4	-179.8	-3.1	105.2
219	Y	25.8	Very low	30.4	Very low	214 Å²	214	151.4 Å²	151.4	84%	0.839	75%	0.75	S	S	*	*				60	148	75	-75.4	-58.1	0	0	0	117.5
220	P	56.2	Low	30.5	Very low	106 Å²	106	146.5 Å²	146.5	69%	0.688	74%	0.737	S	S	*	*			cis	-141.5	173.9	-16.1	39.5	-21.4	0	0	0	117.3
221	Y	23.7	Very low	31	Very low	215 Å²	215	150 Å²	150	84%	0.843	74%	0.741	S	S	*	*				139.3	167.2	128.9	-124.8	-97	0	0	0	117
222	S	26.5	Very low	31.1	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	73%	0.733	S	S	*	*			trans	-131.9	-168.5	-172.3	58.8	0	0	0	0	111.1
223	T	27.9	Very low	29.9	Very low	121 Å²	121	149.7 Å²	149.7	74%	0.742	73%	0.733	S	S	*	*			cis	-159.9	-176.2	24.3	-25.2	0	0	0	0	111.5
224	I	28.6	Very low	28.6	Very low	148 Å²	148	150 Å²	150	76%	0.759	74%	0.738	S	S	*	*			trans	-72.6	141.6	177.7	-59.2	158.2	0	0	0	112.2
225	L	28.7	Very low	28.6	Very low	152 Å²	152	150.1 Å²	150.1	80%	0.796	75%	0.748	S	S	*	*			trans	170.5	150.9	130.5	-92	169.1	0	0	0	115.1
226	K	26.2	Very low	28.2	Very low	161 Å²	161	149.8 Å²	149.8	70%	0.7	75%	0.746	S	S	*	*			trans	49.9	121.6	148.6	-81.4	-178.9	170	-103.3	0	124.6
227	E	22.7	Very low	29.1	Very low	133 Å²	133	145.8 Å²	145.8	62%	0.621	74%	0.74	S	S	*	*				57.5	121	118.7	-66.1	-175.8	96.9	0	0	124.7
228	N	25.5	Very low	29.3	Very low	127 Å²	127	147 Å²	147	68%	0.679	74%	0.735	S	S	*	*				86.7	128.9	128	-71	-27.4	0	0	0	124.5
229	L	24.1	Very low	29.6	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	73%	0.726	S	S	*	*			trans	69.3	146.1	150	-94.1	71.8	0	0	0	119.5
230	S	29.1	Very low	29.7	Very low	85 Å²	85	138.2 Å²	138.2	59%	0.594	72%	0.722	S	S	*	*			cis	-157.8	156	1.3	60.6	0	0	0	0	114.3
231	H	34.5	Very low	28.3	Very low	173 Å²	173	137.8 Å²	137.8	80%	0.801	72%	0.722	S	S	*	*			trans	56.1	149.5	150.9	-66.1	-47.3	0	0	0	120.4
232	I	29.3	Very low	28.5	Very low	132 Å²	132	132 Å²	132	68%	0.677	71%	0.713	S	S	*	*			cis	-159.3	165.2	2.2	-126.5	176.1	0	0	0	107.5
233	K	27.6	Very low	28.6	Very low	176 Å²	176	134.1 Å²	134.1	77%	0.765	72%	0.722	S	S	*	*			cis	-137.7	156.7	5.2	-111.8	163.5	-172.8	173.3	0	107.2
234	S	27.2	Very low	28.7	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	72%	0.718	S	S	*	*				54.6	133.2	89.6	-137	0	0	0	0	115.9
235	V	27	Very low	28.6	Very low	139 Å²	139	135.5 Å²	135.5	84%	0.842	72%	0.724	S	S	*	*			cis	-130	158	21	176.3	0	0	0	0	112.1
236	R	25	Very low	28.8	Very low	189 Å²	189	132.7 Å²	132.7	71%	0.713	72%	0.718	S	S	*	*			trans	-128.6	172.1	-176.3	-153.9	-158.4	161.4	131.9	-8	111.6
237	P	43.6	Very low	28.9	Very low	112 Å²	112	132.9 Å²	132.9	73%	0.727	73%	0.726	S	S	*	*				-143	-135.4	120	40	-24.8	0	0	0	114.9
238	Q	31.3	Very low	29.3	Very low	130 Å²	130	130.5 Å²	130.5	61%	0.607	73%	0.729	S	S	*	*			trans	-152	165	-158.4	-59.9	-71.8	52.3	0	0	109
239	L	31.3	Very low	29.5	Very low	124 Å²	124	131.5 Å²	131.5	65%	0.649	73%	0.734	S	S	*	*			cis	-159.6	-155.9	-17.8	-108.3	170.3	0	0	0	106
240	T	26.8	Very low	29.7	Very low	124 Å²	124	129.1 Å²	129.1	76%	0.761	73%	0.726	S	S	*	*			cis	-155.3	160.9	9.5	-26.4	0	0	0	0	111
241	S	28.5	Very low	29.9	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	73%	0.733	S	S	*	*			trans	-102.8	-166.4	159.2	54.5	0	0	0	0	109.4
242	S	28.1	Very low	29.7	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	73%	0.726	S	S	*	*			cis	-166.9	145.7	19.4	-12.6	0	0	0	0	113.7
243	V	27.6	Very low	29.7	Very low	132 Å²	132	131.8 Å²	131.8	80%	0.8	73%	0.73	S	S	*	*			trans	39.3	106	132.3	-167.5	0	0	0	0	121.9
244	S	30.9	Very low	29.6	Very low	94 Å²	94	128 Å²	128	66%	0.657	73%	0.726	S	S	*	*				40.6	132.5	124.3	-162.7	0	0	0	0	123.9
245	F	25.3	Very low	29.6	Very low	205 Å²	205	130.4 Å²	130.4	90%	0.899	73%	0.729	S	S	*	*				-165.5	-173.9	127	-102.1	-63.6	0	0	0	111.6
246	S	33.5	Very low	29.7	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	73%	0.728	S	S	*	*			trans	-123.9	175.6	-150.1	-49.7	0	0	0	0	117.7
247	D	28.4	Very low	29.8	Very low	164 Å²	164	128.8 Å²	128.8	88%	0.877	73%	0.734	S	S	*	*			trans	81.1	174.6	160.2	-60.1	-53.8	0	0	0	119.5
248	A	30.7	Very low	28.9	Very low	83 Å²	83	126.9 Å²	126.9	69%	0.686	73%	0.734	S	S	*	*				-136.6	172.2	-124.9	0	0	0	0	0	118.8
249	D	29.4	Very low	28.7	Very low	148 Å²	148	125.2 Å²	125.2	79%	0.791	74%	0.737	S	S	*	*			trans	74.5	115.9	150.2	-72.3	-13.6	0	0	0	124.6
250	V	29.6	Very low	28.5	Very low	109 Å²	109	125.8 Å²	125.8	66%	0.661	74%	0.74	S	S	*	*				90	120	123.2	172.9	0	0	0	0	122.6
251	Q	33.3	Very low	28.6	Very low	157 Å²	157	128.2 Å²	128.2	73%	0.734	74%	0.743	S	S	*	*			trans	68.9	152.9	155.4	-71.2	164.2	23.7	0	0	119.1
252	H	28.9	Very low	28.6	Very low	144 Å²	144	131 Å²	131	67%	0.667	75%	0.745	S	S	*	*			cis	-161.6	153.4	37.6	-100.3	-63.8	0	0	0	115.2
253	I	29.4	Very low	28.6	Very low	146 Å²	146	132.7 Å²	132.7	75%	0.749	75%	0.752	S	S	*	*			trans	70	145.1	137.2	-70.1	169.3	0	0	0	118.3
254	S	25.3	Very low	28.6	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	75%	0.746	S	S	*	*			cis	-159.9	174.9	34.5	-149.4	0	0	0	0	118
255	L	27.1	Very low	28.4	Very low	157 Å²	157	136 Å²	136	82%	0.822	75%	0.746	S	S	*	*			trans	94	135.3	151.9	-70.5	166.9	0	0	0	123
256	Q	29.5	Very low	28.7	Very low	176 Å²	176	134.3 Å²	134.3	82%	0.822	74%	0.741	S	S	*	*			trans	-77.5	175.4	170.8	-83.8	93.9	-10.6	0	0	112.9
257	S	26.4	Very low	28.4	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	74%	0.743	S	S	*	*			cis	-150.4	-174.5	27.7	58.4	0	0	0	0	115
258	G	26.2	Very low	28.4	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	74%	0.74	S	S	*	*			trans	-76.4	-167.8	176.5	0	0	0	0	0	115.2
259	S	27.3	Very low	28.2	Very low	95 Å²	95	141 Å²	141	66%	0.664	75%	0.746	S	S	*	*			cis	-153.6	177.3	15.2	55.1	0	0	0	0	113.8
260	D	26.5	Very low	28.1	Very low	136 Å²	136	140 Å²	140	73%	0.727	74%	0.739	S	S	*	*			trans	66.4	135.2	160.9	-41.3	-48.1	0	0	0	118.3
261	Q	29.5	Very low	28	Very low	175 Å²	175	141 Å²	141	82%	0.818	74%	0.741	S	S	*	*			cis	84.6	125.5	29.1	-158.7	144.4	-15.4	0	0	111.3
262	E	28.2	Very low	27.5	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.724	73%	0.733	S	S	*	*			cis	-147.3	-177.9	25.9	-63.8	-178.2	126.6	0	0	115.4
263	T	26.8	Very low	27.5	Very low	132 Å²	132	142.1 Å²	142.1	81%	0.81	73%	0.733	S	S	*	*			trans	69.6	163	156.8	65.5	0	0	0	0	121.9
264	K	29	Very low	27.4	Very low	153 Å²	153	144.1 Å²	144.1	67%	0.665	73%	0.733	S	S	*	*			cis	-169.5	147.3	-39.6	-168.8	173.7	-176	-106.6	0	109.2
265	E	26.9	Very low	27.3	Very low	141 Å²	141	148.9 Å²	148.9	66%	0.659	74%	0.736	S	S	*	*			trans	56.6	116.3	160.1	-81.8	150	-167.5	0	0	123.8
266	E	30.9	Very low	27.1	Very low	170 Å²	170	149 Å²	149	79%	0.794	74%	0.737	S	S	*	*				57.5	137.3	127.3	-63.7	-162.5	155.3	0	0	126.7
267	I	27.8	Very low	26.9	Very low	137 Å²	137	146.3 Å²	146.3	70%	0.703	73%	0.729	S	S	*	*			trans	88.7	121	145.5	-72.1	160.3	0	0	0	122.3
268	E	26.9	Very low	27.1	Very low	175 Å²	175	147 Å²	147	82%	0.818	73%	0.728	S	S	*	*			trans	52.5	132.2	149.6	-68.6	-177.4	146.4	0	0	127.5
269	E	27.7	Very low	27.6	Very low	170 Å²	170	148.6 Å²	148.6	79%	0.794	73%	0.725	S	S	*	*			trans	78.8	157.4	138.7	-75.6	-110.7	109.9	0	0	124.5
270	L	27.2	Very low	27.5	Very low	126 Å²	126	153.2 Å²	153.2	66%	0.66	73%	0.734	S	S	*	*			trans	62.7	103.4	173.1	-97.5	57.2	0	0	0	118.3
271	D	27	Very low	27.5	Very low	129 Å²	129	155.3 Å²	155.3	69%	0.69	74%	0.739	S	S	*	*				92.2	161.2	53.8	-171.6	42.4	0	0	0	114.1
272	Y	23.8	Very low	27.3	Very low	148 Å²	148	150 Å²	150	58%	0.58	73%	0.732	S	S	*	*			trans	96	142.6	171.7	-60.5	-44.8	0	0	0	117.2
273	R	28.3	Very low	27	Very low	177 Å²	177	152.3 Å²	152.3	67%	0.668	74%	0.742	S	S	*	*			cis	-157.1	137.3	4.2	-129.8	155.9	-140	-155.3	4	115
274	Y	26.8	Very low	26.9	Very low	189 Å²	189	150.9 Å²	150.9	74%	0.741	74%	0.744	S	S	*	*			trans	65.2	167.1	138.8	-95.4	-123.2	0	0	0	118.8
275	R	24.2	Very low	26.7	Very low	197 Å²	197	153.8 Å²	153.8	74%	0.743	75%	0.751	S	S	*	*			cis	-139.2	134.9	14.4	175.9	177.3	-82.1	169.6	-3.8	112.8	N277	R275-N277 WeakPolarHBondContact CD-OD1 3.38Å; R275-N277 WeakPolarHBondContact CG-OD1 3.44Å
276	N	22.9	Very low	26.7	Very low	158 Å²	158	153.4 Å²	153.4	85%	0.845	75%	0.749	S	S	*	*			trans	-122.3	144.6	148.5	-107.1	-20.7	0	0	0	107.3
277	N	24.3	Very low	26.6	Very low	120 Å²	120	155.9 Å²	155.9	64%	0.642	75%	0.751	S	S	*	*			trans	-120.9	133.4	178.5	-81.5	9.2	0	0	0	111.1	R275	R275-N277 WeakPolarHBondContact CD-OD1 3.38Å; R275-N277 WeakPolarHBondContact CG-OD1 3.44Å
278	V	32	Very low	26.7	Very low	134 Å²	134	154 Å²	154	81%	0.812	75%	0.75	S	S	*	*			trans	-98.2	171.3	162.2	-157.7	0	0	0	0	108
279	P	35.8	Very low	27.1	Very low	104 Å²	104	154.8 Å²	154.8	68%	0.675	75%	0.754	S	S	*	*				-151	140.7	118.1	35.3	-18.2	0	0	0	117.2
280	F	24.9	Very low	27.2	Very low	191 Å²	191	150.8 Å²	150.8	84%	0.838	75%	0.75	S	S	*	*			trans	63	160.5	139.5	-77.7	-113.2	0	0	0	119
281	Q	26	Very low	27.1	Very low	180 Å²	180	151.2 Å²	151.2	84%	0.841	76%	0.758	S	S	*	*			cis	-140.9	176.9	-2.6	-159.2	153.8	-18.3	0	0	109.7
282	G	25.1	Very low	27.1	Very low	64 Å²	64	150.8 Å²	150.8	66%	0.66	76%	0.756	S	S	*	*			trans	-121.4	173	-172.8	0	0	0	0	0	117.6
283	Q	23.9	Very low	27.5	Very low	203 Å²	203	153.5 Å²	153.5	95%	0.949	77%	0.765	S	S	*	*			trans	52.5	105.2	162.2	-68.5	-174.1	-18	0	0	120.6
284	A	23.5	Very low	27.4	Very low	102 Å²	102	150.8 Å²	150.8	84%	0.843	77%	0.773	S	S	*	*			trans	-158.4	109.1	137.7	0	0	0	0	0	113.1
285	R	24.1	Very low	27.4	Very low	215 Å²	215	145.4 Å²	145.4	81%	0.811	78%	0.775	S	S	*	*			trans	41.6	129	141.3	-144.4	172.5	179.6	154	5.6	122.9
286	E	27.8	Very low	28.9	Very low	133 Å²	133	142 Å²	142	62%	0.621	78%	0.778	S	S	*	*			trans	48.7	124.6	152.5	-69.6	162.5	-139.1	0	0	118.2
287	R	28.4	Very low	29.1	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	78%	0.781	S	S	*	*			cis	-165.9	171.6	31.8	-132.6	169.9	172	160.1	-3.7	108.2
288	S	29.4	Very low	29.3	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	78%	0.782	S	S	*	*			cis	-140.3	-103.6	13.5	-63.1	0	0	0	0	113.5
289	Q	36.3	Very low	29.1	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	78%	0.781	S	S	*	*			trans	-157.4	156.2	-161.5	-75.4	163.6	-18.5	0	0	107.1
290	A	28.5	Very low	28.6	Very low	86 Å²	86	145.7 Å²	145.7	71%	0.711	79%	0.786	S	S	*	*			cis	-165.9	-170.9	-12	0	0	0	0	0	106.3
291	T	26.6	Very low	28.7	Very low	136 Å²	136	145.3 Å²	145.3	83%	0.834	79%	0.791	S	S	*	*			cis	-141.5	-105.7	9.5	-35.9	0	0	0	0	111.8
292	D	25.9	Very low	28.9	Very low	120 Å²	120	144.1 Å²	144.1	64%	0.642	79%	0.79	S	S	*	*			trans	-148.5	172.9	-159.4	-126.8	-51.9	0	0	0	117.4
293	R	31.8	Very low	29.1	Very low	204 Å²	204	150.1 Å²	150.1	77%	0.77	79%	0.793	S	S	*	*			trans	-61.4	165.6	-173.3	-57.1	152.1	175	103.9	-11.8	118.7
294	S	26.4	Very low	29.5	Very low	120 Å²	120	149.2 Å²	149.2	84%	0.839	78%	0.78	S	S	*	*			trans	57.1	130.2	135.1	63.8	0	0	0	0	122.7
295	G	26.6	Very low	29.8	Very low	76 Å²	76	149 Å²	149	78%	0.784	77%	0.773	S	S	*	*			trans	163.8	136.2	158.8	0	0	0	0	0	114
296	P	57.6	Low	29.9	Very low	125 Å²	125	146.4 Å²	146.4	81%	0.812	77%	0.774	S	S	*	*			trans	-113.9	162	178.4	40	-31.8	0	0	0	114
297	L	26.3	Very low	29.8	Very low	173 Å²	173	146 Å²	146	91%	0.906	79%	0.786	S	S	*	*			trans	-163	-178.8	147.2	-113.8	168.6	0	0	0	112.8
298	I	29	Very low	29.8	Very low	131 Å²	131	143 Å²	143	67%	0.672	78%	0.783	S	S	*	*			trans	-131.8	134.4	-152.6	-86.1	177.8	0	0	0	113.2
299	K	27.4	Very low	29.7	Very low	182 Å²	182	146.3 Å²	146.3	79%	0.791	79%	0.793	S	S	*	*			trans	41	125.7	157.9	-56.4	162.2	-168.4	166.9	0	118.8
300	S	25.9	Very low	29.2	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	78%	0.775	S	S	*	*				165.4	127.9	94.5	-71.4	0	0	0	0	112.9
301	L	26	Very low	29.8	Very low	183 Å²	183	142.7 Å²	142.7	96%	0.958	78%	0.781	S	S	*	*			trans	-138.8	144.4	138.6	-88.9	-177.6	0	0	0	109.1
302	L	30.6	Very low	29.9	Very low	154 Å²	154	141.2 Å²	141.2	81%	0.806	77%	0.771	S	S	*	*			trans	-159.1	158.3	-172.2	-169.6	143.6	0	0	0	108
303	R	29.6	Very low	30.1	Very low	191 Å²	191	141.8 Å²	141.8	72%	0.721	78%	0.782	S	S	*	*			trans	88.7	147.4	-170.9	-58.8	177.6	168.6	172	-2.4	112.1
304	R	31.4	Very low	30	Very low	184 Å²	184	137.3 Å²	137.3	69%	0.694	78%	0.777	S	S	*	*			cis	-160.3	174.8	-5	-116.2	167	-175.2	165.2	-6.4	106.3
305	S	29.2	Very low	29.9	Very low	98 Å²	98	141 Å²	141	69%	0.685	78%	0.778	S	S	*	*			cis	-144.8	142.6	9.4	-32.1	0	0	0	0	108.2
306	L	27.4	Very low	30.4	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	78%	0.777	S	S	*	*				54.8	112	95.1	-56.7	174.6	0	0	0	117
307	S	25.6	Very low	29.6	Very low	123 Å²	123	141.6 Å²	141.6	86%	0.86	77%	0.77	S	S	*	*			trans	-145.5	158.7	132.3	60.9	0	0	0	0	108.9
308	M	29	Very low	29.6	Very low	160 Å²	160	139 Å²	139	79%	0.788	76%	0.762	S	S	*	*			trans	-131.1	157.3	172.2	-99.7	-156.6	68.1	0	0	107.7
309	D	25.9	Very low	29.8	Very low	166 Å²	166	140.2 Å²	140.2	89%	0.888	77%	0.769	S	S	*	*			trans	-156.1	138.9	138.8	-111.3	-37.8	0	0	0	112.6
310	S	27.4	Very low	29.8	Very low	74 Å²	74	139.2 Å²	139.2	52%	0.517	77%	0.767	S	S	.	*			trans	-160.8	110.4	170.6	172.7	0	0	0	0	106.7	V312	S310-V312 PolarHBondContact O-N 3.31Å
311	P	40.6	Very low	29.8	Very low	128 Å²	128	140.7 Å²	140.7	83%	0.831	77%	0.766	S	S	*	*			trans	-68.3	109.3	-175.1	26.5	-33.6	0	0	0	110.9
312	V	28.6	Very low	29.9	Very low	105 Å²	105	141.6 Å²	141.6	64%	0.636	76%	0.762	S	S	*	*			trans	-105.3	124	170.9	170.3	0	0	0	0	108.3	S310 V314	S310-V312 PolarHBondContact O-N 3.31Å; V312-V314 HydrophobicContact CG1-CB 4.13Å; V312-V314 HydrophobicContact CG1-CG2 3.57Å
313	P	29.2	Very low	29.6	Very low	132 Å²	132	141.3 Å²	141.3	86%	0.857	76%	0.762	S	S	*	*			trans	-89.6	106.9	156.2	-3.1	22.7	0	0	0	108.6
314	V	30.4	Very low	29.5	Very low	109 Å²	109	140.4 Å²	140.4	66%	0.661	77%	0.77	S	S	*	*			trans	-119.3	122.9	161.9	159.6	0	0	0	0	106.8	V312	V312-V314 HydrophobicContact CG1-CB 4.13Å; V312-V314 HydrophobicContact CG1-CG2 3.57Å
315	F	24.2	Very low	29.3	Very low	198 Å²	198	139.6 Å²	139.6	87%	0.868	77%	0.774	S	S	*	*			trans	-151.1	118.2	145.2	-102.1	-66.5	0	0	0	110.4
316	S	38.2	Very low	29.2	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	78%	0.777	S	S	*	*			trans	-129.1	130.8	150.1	-57.8	0	0	0	0	106
317	P	39.3	Very low	29.4	Very low	104 Å²	104	143.3 Å²	143.3	68%	0.675	77%	0.773	S	S	*	*			trans	-122.6	128.4	133	0.9	20.3	0	0	0	109.1
318	T	26.5	Very low	29.5	Very low	120 Å²	120	144.3 Å²	144.3	74%	0.736	76%	0.764	S	S	*	*				82.1	113.8	69.2	-59.2	0	0	0	0	111.8
319	L	34.1	Very low	29.7	Very low	155 Å²	155	143 Å²	143	81%	0.812	76%	0.755	S	S	*	*			trans	23.4	136	148.6	-46.4	174.4	0	0	0	118.2
320	E	26.3	Very low	29.7	Very low	161 Å²	161	139.6 Å²	139.6	75%	0.752	75%	0.745	S	S	*	*				-167.5	169.4	62.2	-87.1	-164.6	145.1	0	0	114.8
321	L	27.4	Very low	29.7	Very low	141 Å²	141	142.1 Å²	142.1	74%	0.738	76%	0.757	S	S	*	*			trans	33	109.2	143.5	-63.1	167.5	0	0	0	120.4
322	K	26.3	Very low	29	Very low	201 Å²	201	141.8 Å²	141.8	87%	0.874	75%	0.752	S	S	*	*				-177	158.9	100	-106.1	169.2	-178.7	167.9	0	114.4
323	D	25.9	Very low	29	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	76%	0.757	S	S	*	*			trans	-59.5	139.5	161.7	-57.8	-90.1	0	0	0	111.9
324	L	26.2	Very low	28.9	Very low	172 Å²	172	145.8 Å²	145.8	90%	0.901	75%	0.753	S	S	*	*				-163.6	121.9	114.6	-105.5	167.1	0	0	0	109.8
325	Q	28.4	Very low	28.7	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	75%	0.754	S	S	*	*			trans	-78.9	159.8	165.8	-76.3	-170.9	-13	0	0	111.1
326	N	27.3	Very low	29.1	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	75%	0.75	S	S	*	*			trans	97.3	153.4	134.6	-115.1	-50.5	0	0	0	119.3
327	R	31.4	Very low	28.7	Very low	196 Å²	196	144.9 Å²	144.9	74%	0.74	76%	0.756	S	S	*	*			trans	71.4	142.7	167.3	-115	173.3	166.7	96.5	-1.2	114.4
328	E	27.8	Very low	28.3	Very low	144 Å²	144	144.2 Å²	144.2	67%	0.673	76%	0.759	S	S	*	*			cis	-133.8	157.7	18	-57.2	-120.7	97.1	0	0	110.5
329	Q	31.8	Very low	28.4	Very low	131 Å²	131	144.5 Å²	144.5	61%	0.612	77%	0.766	S	S	*	*			cis	-157.2	160.8	-12.8	-106.7	177.4	33.1	0	0	105.1
330	S	27.4	Very low	28	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	76%	0.759	S	S	*	*				178.3	135.9	70	-165.8	0	0	0	0	111.9
331	V	25.7	Very low	28.1	Very low	126 Å²	126	138.8 Å²	138.8	76%	0.764	76%	0.761	S	S	*	*			trans	52.6	133.2	137.7	170.9	0	0	0	0	120.2
332	V	27.1	Very low	28	Very low	121 Å²	121	140 Å²	140	73%	0.733	76%	0.763	S	S	*	*			cis	-174.4	176.3	-11.3	80.4	0	0	0	0	106
333	K	27.7	Very low	28.2	Very low	171 Å²	171	135.6 Å²	135.6	74%	0.743	75%	0.753	S	S	*	*			cis	-154.3	137.9	19.6	-129.5	-176.6	-176.8	176.6	0	112.5
334	I	27.7	Very low	28.1	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	75%	0.754	S	S	*	*				34.6	133.8	129.1	-56.4	178.1	0	0	0	121.2
335	A	26.9	Very low	28.2	Very low	82 Å²	82	133.1 Å²	133.1	68%	0.678	75%	0.745	S	S	*	*			trans	-89	168.3	177.1	0	0	0	0	0	115.8
336	S	31.5	Very low	28.2	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	74%	0.744	S	S	*	*				164.7	137.8	128.2	-77.5	0	0	0	0	116.7
337	K	30.8	Very low	28.2	Very low	203 Å²	203	133.7 Å²	133.7	88%	0.883	75%	0.747	S	S	*	*			trans	46.4	115.9	138.6	-71.1	-174.9	175.7	-178.7	0	123.2
338	A	29.7	Very low	28	Very low	90 Å²	90	127.4 Å²	127.4	74%	0.744	74%	0.743	S	S	*	*				118.3	136.4	103.6	0	0	0	0	0	123.1
339	S	28.8	Very low	27.9	Very low	126 Å²	126	128.6 Å²	128.6	88%	0.881	75%	0.754	S	S	*	*			trans	86.7	153.8	146.5	71	0	0	0	0	122
340	G	25.4	Very low	27.7	Very low	64 Å²	64	126.9 Å²	126.9	66%	0.66	76%	0.757	S	S	*	*			trans	97.5	102.9	-156.1	0	0	0	0	0	109.3
341	T	29.7	Very low	27.6	Very low	132 Å²	132	127.9 Å²	127.9	81%	0.81	76%	0.759	S	S	*	*			cis	64.6	127.2	28.5	8.1	0	0	0	0	112.9
342	E	25.2	Very low	27.7	Very low	165 Å²	165	133 Å²	133	77%	0.771	77%	0.765	S	S	*	*			cis	-143.4	155.6	19.7	-44.9	-174.6	118.2	0	0	114.7
343	T	30.4	Very low	27.7	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	77%	0.767	S	S	*	*			trans	39.6	161.3	138	59	0	0	0	0	124.1
344	F	23.8	Very low	27.6	Very low	184 Å²	184	128.9 Å²	128.9	81%	0.807	77%	0.769	S	S	*	*			cis	-161.1	155.6	1.9	-121.7	-51.6	0	0	0	110.6
345	A	27.5	Very low	28.6	Very low	86 Å²	86	126.7 Å²	126.7	71%	0.711	76%	0.764	S	S	*	*			trans	61.7	157.8	146.5	0	0	0	0	0	121.3
346	H	29	Very low	28.7	Very low	167 Å²	167	130.5 Å²	130.5	77%	0.773	77%	0.772	S	S	*	*			cis	-164.9	159.1	-38.8	-137.5	-87.8	0	0	0	109.9
347	N	27.5	Very low	28.5	Very low	151 Å²	151	131.3 Å²	131.3	81%	0.807	77%	0.772	S	S	*	*			trans	67.6	154.2	170.1	-53.2	-20.4	0	0	0	117.3
348	G	27	Very low	28.2	Very low	64 Å²	64	129.3 Å²	129.3	66%	0.66	77%	0.771	S	S	*	*			cis	151.7	139.6	-11.2	0	0	0	0	0	113.9
349	N	25.9	Very low	28	Very low	169 Å²	169	136.9 Å²	136.9	90%	0.904	78%	0.78	S	S	*	*			trans	67.6	162	173.6	-61.8	-20.3	0	0	0	117.8
350	S	26.5	Very low	27.8	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	77%	0.765	S	S	*	*			cis	-172.2	168.1	-37.3	-164.5	0	0	0	0	110.2
351	T	26.6	Very low	27.8	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	78%	0.776	S	S	*	*			trans	67.5	143	154.2	44.3	0	0	0	0	123.4
352	R	27.5	Very low	27.6	Very low	232 Å²	232	144 Å²	144	88%	0.875	77%	0.772	S	S	*	*			trans	96.8	117.7	133.9	-89.8	171.3	-176.7	-179.7	2.1	122.4
353	A	27.6	Very low	27.7	Very low	94 Å²	94	144.2 Å²	144.2	78%	0.777	78%	0.777	S	S	*	*				81.1	115.8	117.9	0	0	0	0	0	121.8
354	S	25.6	Very low	27.4	Very low	112 Å²	112	144 Å²	144	78%	0.783	77%	0.772	S	S	*	*			trans	-65.1	175.9	146.3	-40.2	0	0	0	0	112
355	P	47.1	Very low	27.7	Very low	106 Å²	106	143.3 Å²	143.3	69%	0.688	76%	0.764	S	S	*	*				-140	-176.6	-50.9	40.1	-23.4	0	0	0	113.5
356	L	29.5	Very low	27.6	Very low	161 Å²	161	150 Å²	150	84%	0.843	77%	0.773	S	S	*	*			trans	65.6	136.6	161.1	-57.4	176.4	0	0	0	119.9
357	V	26.8	Very low	27.7	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	76%	0.763	S	S	*	*				157.9	132.5	120.7	161.4	0	0	0	0	112.3
358	L	26.1	Very low	27.9	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	76%	0.761	S	S	*	*			trans	14.2	134.1	158	-58.5	167	0	0	0	121.1
359	R	24.2	Very low	28.1	Very low	249 Å²	249	152.3 Å²	152.3	94%	0.94	76%	0.763	S	S	*	*				173.1	158.7	90.5	-166.8	163.2	-175.6	169.2	1.8	113.5
360	S	25	Very low	28.2	Very low	80 Å²	80	150.4 Å²	150.4	56%	0.559	76%	0.757	S	S	*	*			trans	-85.4	150.7	-177.3	165.4	0	0	0	0	115.7
361	K	26.2	Very low	28.3	Very low	205 Å²	205	154.4 Å²	154.4	89%	0.891	77%	0.765	S	S	*	*			trans	-151.8	129.4	142.4	-89.3	165.5	-176.2	177.4	0	106.8
362	Y	24.7	Very low	28.3	Very low	185 Å²	185	154.3 Å²	154.3	73%	0.725	76%	0.764	S	S	*	*			cis	85.9	101.4	41.3	-90	-71.5	0	0	0	116.9
363	L	26.8	Very low	28.3	Very low	170 Å²	170	152.5 Å²	152.5	89%	0.89	77%	0.766	S	S	*	*			trans	-166.4	121.3	134.6	-122.9	67.9	0	0	0	105.7
364	N	24.7	Very low	28.3	Very low	104 Å²	104	151.8 Å²	151.8	56%	0.556	77%	0.767	S	S	*	*			cis	72.7	132.9	25.6	-133.2	31.2	0	0	0	111.7
365	R	29.1	Very low	28.3	Very low	171 Å²	171	155 Å²	155	65%	0.645	77%	0.77	S	S	*	*			cis	-165.1	163.5	5.2	-157.9	-178.2	-166.8	146.6	12.5	110.1	D367	R365-D367 IonicContact CZ-OD2 3.31Å; R365-D367 IonicContact NE-OD2 2.75Å; R365-D367 PolarHBondContact NE-OD2 3.4Å; R365-D367 IonicContact NH2-OD2 3.77Å
366	Y	27	Very low	27.3	Very low	226 Å²	226	156 Å²	156	89%	0.886	77%	0.774	S	S	*	*				-172.8	143.1	117.7	-110.2	-75.7	0	0	0	111.7
367	D	31	Very low	27.1	Very low	109 Å²	109	153 Å²	153	58%	0.583	77%	0.766	S	S	*	*			trans	-128	148.1	-172.6	-55.1	-76.3	0	0	0	111	R365	R365-D367 IonicContact CZ-OD2 3.31Å; R365-D367 IonicContact NE-OD2 2.75Å; R365-D367 PolarHBondContact NE-OD2 3.4Å; R365-D367 IonicContact NH2-OD2 3.77Å
368	K	31.4	Very low	27	Very low	173 Å²	173	152.7 Å²	152.7	75%	0.752	76%	0.764	S	S	*	*				161.7	119.5	121.6	-89.9	179.5	165.4	-76	0	116.8
369	E	30.7	Very low	27	Very low	149 Å²	149	154.6 Å²	154.6	70%	0.696	77%	0.765	S	S	*	*				47.8	153.4	121	-61.4	174.9	126.3	0	0	125
370	T	28.3	Very low	27.3	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	76%	0.763	S	S	*	*			trans	77.3	95	156.8	34.1	0	0	0	0	122.7
371	Q	27.8	Very low	27.6	Very low	180 Å²	180	153 Å²	153	84%	0.841	78%	0.778	S	S	*	*				53.8	149.6	111.1	-148.8	178.8	38.5	0	0	122.7
372	V	27.4	Very low	28.5	Very low	114 Å²	114	147.9 Å²	147.9	69%	0.691	77%	0.766	S	S	*	*			trans	106.1	143.9	159.4	-173.7	0	0	0	0	117.7
373	E	27.4	Very low	28.6	Very low	194 Å²	194	144.5 Å²	144.5	91%	0.907	77%	0.769	S	S	*	*			trans	-12.8	160.6	177.7	-63	170.5	115.9	0	0	123.6
374	G	27.6	Very low	28.9	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	77%	0.768	S	S	*	*			trans	160	130.5	158.3	0	0	0	0	0	114.6
375	H	26.3	Very low	30.1	Very low	181 Å²	181	142.7 Å²	142.7	84%	0.838	78%	0.776	S	S	*	*			trans	-143.3	162	178.3	-167.8	-102.1	0	0	0	110.6
376	V	25.2	Very low	30.1	Very low	127 Å²	127	142.7 Å²	142.7	77%	0.77	79%	0.788	S	S	*	*			trans	73.7	156.5	176.3	-166.4	0	0	0	0	115.3
377	S	24.6	Very low	30.2	Very low	96 Å²	96	136.3 Å²	136.3	67%	0.671	78%	0.782	S	S	*	*			cis	-177.5	152.9	-49.8	-162	0	0	0	0	110.1
378	V	25.6	Very low	30.1	Very low	123 Å²	123	138.2 Å²	138.2	75%	0.745	79%	0.792	S	S	*	*			trans	37.3	115.9	145.4	168.9	0	0	0	0	120.2
379	K	26.2	Very low	30.8	Very low	202 Å²	202	134.3 Å²	134.3	88%	0.878	79%	0.785	S	S	*	*				-175.7	122.1	116.5	-114.7	165.3	-177.1	174.8	0	114.9
380	A	29.5	Very low	30.6	Very low	107 Å²	107	135.5 Å²	135.5	88%	0.884	79%	0.792	S	S	*	*			trans	-171.7	99.1	145.9	0	0	0	0	0	110.1
381	E	31.6	Very low	30.7	Very low	188 Å²	188	136.4 Å²	136.4	88%	0.879	79%	0.792	S	S	*	*			trans	-107.2	177.8	162.3	-111.8	-166.3	-156.7	0	0	107.8
382	P	45.5	Very low	30.7	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	79%	0.787	S	S	*	*			cis	-129.1	-177.6	0.6	40.1	-24.6	0	0	0	113.8
383	S	27.1	Very low	30.8	Very low	114 Å²	114	135 Å²	135	80%	0.797	79%	0.789	S	S	*	*				172.2	111.3	123.6	-76.5	0	0	0	0	113.8
384	S	33.2	Very low	30.8	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	79%	0.786	S	S	*	*			trans	-139.3	140.5	159.3	-66.3	0	0	0	0	108.3
385	P	50.1	Low	30.8	Very low	114 Å²	114	140.1 Å²	140.1	74%	0.74	79%	0.786	S	S	*	*			trans	-152.1	137.7	137.7	32.3	-13.1	0	0	0	117
386	L	29.5	Very low	30.9	Very low	171 Å²	171	136.6 Å²	136.6	90%	0.895	78%	0.777	S	S	*	*			trans	63.5	157.2	140.7	-83.2	71.3	0	0	0	119.5
387	A	27.4	Very low	30.9	Very low	91 Å²	91	137 Å²	137	75%	0.752	78%	0.78	S	S	*	*			cis	-158.3	169.4	-10.3	0	0	0	0	0	112.2
388	D	30.8	Very low	30.9	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	78%	0.783	S	S	*	*			trans	-78.9	-175.5	165.6	-147.8	35.4	0	0	0	110
389	P	45.7	Very low	30.8	Very low	91 Å²	91	137.1 Å²	137.1	59%	0.591	79%	0.786	S	S	*	*			cis	-146.7	-174.6	8.3	47.2	-27.8	0	0	0	118.5
390	M	26.9	Very low	31	Very low	174 Å²	174	132.3 Å²	132.3	86%	0.857	78%	0.784	S	S	*	*			trans	66.2	146.5	157.8	-73	-173.7	-175.8	0	0	117.8
391	D	29.2	Very low	31	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	78%	0.784	S	S	*	*				-159.8	178.6	56.4	-149.6	-13.8	0	0	0	115.2
392	I	28.3	Very low	31.5	Very low	140 Å²	140	131.6 Å²	131.6	72%	0.718	78%	0.776	S	S	*	*			trans	-98.9	128.3	-179	-62.1	167.3	0	0	0	110.8
393	V	29	Very low	30.7	Very low	124 Å²	124	133.2 Å²	133.2	75%	0.752	78%	0.784	S	S	*	*			trans	-124.6	103.9	161.5	-176.8	0	0	0	0	110.9	I395	V393-I395 HydrophobicContact CG1-CD1 4Å; V393-I395 HydrophobicContact CG1-CG1 3.82Å
394	R	27	Very low	30.6	Very low	221 Å²	221	132.7 Å²	132.7	83%	0.834	77%	0.772	S	S	*	*			trans	-95.1	125.1	151.5	-69.2	-178.1	175.8	-162.5	-0.5	107.3
395	I	28.6	Very low	30.5	Very low	159 Å²	159	134.2 Å²	134.2	82%	0.815	77%	0.77	S	S	*	*			trans	-115	133.1	159.2	-68.8	173.5	0	0	0	107.3	V393	V393-I395 HydrophobicContact CG1-CD1 4Å; V393-I395 HydrophobicContact CG1-CG1 3.82Å
396	T	27.4	Very low	29.7	Very low	107 Å²	107	135 Å²	135	66%	0.656	76%	0.762	S	S	*	*			trans	-134.8	144.6	-170.5	47.3	0	0	0	0	110.4
397	V	26	Very low	29.8	Very low	136 Å²	136	131.8 Å²	131.8	82%	0.824	75%	0.746	S	S	*	*			trans	70.7	146.9	165.3	178.3	0	0	0	0	115.1
398	G	24.1	Very low	29.9	Very low	72 Å²	72	134.1 Å²	134.1	74%	0.742	75%	0.745	S	S	*	*			trans	165.6	37.3	179.4	0	0	0	0	0	117
399	D	24.4	Very low	30.1	Very low	150 Å²	150	134 Å²	134	80%	0.802	74%	0.739	S	S	*	*			trans	1.3	123.2	163.4	-49.1	-39.1	0	0	0	120.8
400	A	30.1	Very low	29.4	Very low	100 Å²	100	135.5 Å²	135.5	83%	0.826	75%	0.747	S	S	*	*			trans	-162.9	110.8	133.6	0	0	0	0	0	112.7
401	L	28.5	Very low	29.5	Very low	169 Å²	169	134.6 Å²	134.6	89%	0.885	75%	0.746	S	S	*	*			trans	-90.3	-171.4	151.2	-59	172.9	0	0	0	107.5
402	P	42.9	Very low	29.3	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	75%	0.748	S	S	*	*			cis	-136.8	-153.5	-4	23.2	5.2	0	0	0	112.6
403	V	28.1	Very low	29.3	Very low	134 Å²	134	136 Å²	136	81%	0.812	75%	0.748	S	S	*	*			trans	86.3	142.1	152.8	178.2	0	0	0	0	117.7
404	N	24.8	Very low	29.3	Very low	102 Å²	102	139.6 Å²	139.6	55%	0.545	76%	0.756	S	S	.	*			cis	-177	132.7	-30.1	-177.2	16.2	0	0	0	108.9	K406	N404-K406 WeakPolarHBondContact OD1-CD 3.3Å
405	L	31.8	Very low	29.1	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	75%	0.752	S	S	*	*			trans	178.1	132.6	131	-115.6	60.9	0	0	0	108.3
406	K	34.3	Very low	29	Very low	130 Å²	130	130.9 Å²	130.9	57%	0.565	76%	0.755	S	S	*	*			cis	73.5	148.6	26.8	-73.6	-178.9	145.6	-79.6	0	115.7	N404	N404-K406 WeakPolarHBondContact OD1-CD 3.3Å
407	D	31.1	Very low	29	Very low	104 Å²	104	136.3 Å²	136.3	56%	0.556	76%	0.763	S	S	*	*			cis	-122.5	-150	-9.4	-107.8	-43.9	0	0	0	108.1
408	L	30	Very low	28.9	Very low	140 Å²	140	134.9 Å²	134.9	73%	0.733	76%	0.755	S	S	*	*			cis	-156.8	120.2	6.1	-160	154.3	0	0	0	105.4	T410	L408-T410 HydrophobicContact CD2-CG2 4.49Å
409	Q	35	Very low	29	Very low	146 Å²	146	137 Å²	137	68%	0.682	75%	0.75	S	S	*	*				91.7	162.1	54.5	-160.8	179.4	28.1	0	0	113.7
410	T	29.9	Very low	28.9	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	75%	0.748	S	S	*	*			trans	83.5	152.3	-172.1	77.7	0	0	0	0	113.8	L408	L408-T410 HydrophobicContact CD2-CG2 4.49Å
411	N	28.1	Very low	28.6	Very low	156 Å²	156	140.6 Å²	140.6	83%	0.834	75%	0.747	S	S	*	*			cis	-137	179.9	1.3	-151	-12.1	0	0	0	112.1
412	Y	25.9	Very low	28.5	Very low	216 Å²	216	140.1 Å²	140.1	85%	0.847	75%	0.745	S	S	*	*			trans	-141.7	134.3	-165.8	-168.5	-89.1	0	0	0	112.4
413	S	29.1	Very low	28.2	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	75%	0.749	S	S	*	*			trans	175.5	124.7	144.7	52.1	0	0	0	0	115.7
414	Q	27.9	Very low	28.1	Very low	200 Å²	200	137.5 Å²	137.5	94%	0.935	74%	0.742	S	S	*	*			trans	57.5	159.4	135.2	-123.5	158.9	4.5	0	0	122.5
415	G	24	Very low	28.2	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	75%	0.753	S	S	*	*			trans	-179.2	178.9	178	0	0	0	0	0	113.6
416	S	25.2	Very low	28	Very low	126 Å²	126	144.1 Å²	144.1	88%	0.881	75%	0.753	S	S	*	*			trans	-159.8	-178.9	177.2	59.4	0	0	0	0	113.3
417	R	27.1	Very low	27.6	Very low	220 Å²	220	146.5 Å²	146.5	83%	0.83	76%	0.764	S	S	*	*			trans	-101.5	176.9	-170.3	-61.2	160.2	74.4	174.5	3.5	110
418	T	24.4	Very low	27.3	Very low	107 Å²	107	149.8 Å²	149.8	66%	0.656	78%	0.776	S	S	*	*			cis	-169.3	150.2	45.7	39.8	0	0	0	0	113.2
419	D	25.8	Very low	27.2	Very low	116 Å²	116	154.3 Å²	154.3	62%	0.62	78%	0.783	S	S	*	*			trans	50	144.4	139.6	-44.1	-30.6	0	0	0	121.1
420	F	23.3	Very low	27.3	Very low	175 Å²	175	152.7 Å²	152.7	77%	0.768	79%	0.785	S	S	*	*			cis	-162.3	150.4	46.8	-86.2	-80.7	0	0	0	116
421	N	23.1	Very low	27	Very low	150 Å²	150	153.8 Å²	153.8	80%	0.802	79%	0.787	S	S	*	*			trans	62.5	144.3	141.3	-73.8	-32.8	0	0	0	126.6
422	L	27.3	Very low	27	Very low	160 Å²	160	153 Å²	153	84%	0.838	78%	0.783	S	S	*	*			trans	-71.2	174.3	164	-99.8	81.4	0	0	0	112.4
423	P	36.5	Very low	27.1	Very low	124 Å²	124	153.6 Å²	153.6	81%	0.805	78%	0.783	S	S	*	*			cis	-156.8	171.5	38.2	43.6	-21.6	0	0	0	121.4
424	G	24.7	Very low	27	Very low	65 Å²	65	159.5 Å²	159.5	67%	0.67	79%	0.79	S	S	*	*				113.2	119.8	113.9	0	0	0	0	0	124.2
425	K	28.2	Very low	27	Very low	179 Å²	179	160.5 Å²	160.5	78%	0.778	79%	0.787	S	S	*	*			trans	80.3	129.4	133.9	-67	174.3	-179.2	166.2	0	123.5
426	R	26.3	Very low	27.9	Very low	218 Å²	218	162.1 Å²	162.1	82%	0.823	78%	0.784	S	S	*	*			trans	69.8	124.4	140.7	-68.2	171.5	-176.9	177.6	-1.3	117.6
427	K	27.5	Very low	27.8	Very low	179 Å²	179	165.2 Å²	165.2	78%	0.778	78%	0.782	S	S	*	*				88.8	97.7	55.8	-177.2	-141.7	174.1	-169.3	0	112.7
428	E	23.5	Very low	28.3	Very low	174 Å²	174	163.4 Å²	163.4	81%	0.813	78%	0.78	S	S	*	*			trans	-171	173.6	134.3	-114.7	169.5	-145.4	0	0	115.7
429	R	28.9	Very low	28.3	Very low	234 Å²	234	168.5 Å²	168.5	88%	0.883	79%	0.793	S	S	*	*			trans	-137.4	144.7	168.6	-121.6	-178.5	177	147.3	-1.8	104.1
430	P	36.2	Very low	28.7	Very low	112 Å²	112	168 Å²	168	73%	0.727	80%	0.799	S	S	*	*				-157	-174.3	60.8	42	-20.4	0	0	0	117.7
431	D	24.1	Very low	28.8	Very low	146 Å²	146	169.1 Å²	169.1	78%	0.781	80%	0.803	S	S	*	*			trans	74.2	169.5	145.7	-120.8	-56.5	0	0	0	123.1
432	N	28.6	Very low	28.9	Very low	140 Å²	140	167.4 Å²	167.4	75%	0.749	80%	0.798	S	S	*	*			trans	-91	138.5	-157.9	-70.8	-95.5	0	0	0	114.7
433	R	27.4	Very low	28.7	Very low	228 Å²	228	169.2 Å²	169.2	86%	0.86	80%	0.799	S	S	*	*			trans	-175.9	157.7	131.7	-109.6	162.4	179.3	-172	0.1	116
434	R	26.7	Very low	28.1	Very low	225 Å²	225	170.3 Å²	170.3	85%	0.849	79%	0.792	S	S	*	*			trans	72.4	114.3	153.8	-73.9	173.3	-177.6	176.1	0.7	120.1
435	Y	28.9	Very low	28	Very low	221 Å²	221	172.9 Å²	172.9	87%	0.867	79%	0.786	S	S	*	*			trans	-51	158.8	136.8	-104	-115.3	0	0	0	110.7
436	P	42.3	Very low	27.9	Very low	106 Å²	106	171.2 Å²	171.2	69%	0.688	78%	0.781	S	S	*	*			cis	-153.2	-170.9	41.3	44.3	-23.7	0	0	0	118.7
437	F	23.9	Very low	27.7	Very low	190 Å²	190	167.1 Å²	167.1	83%	0.833	78%	0.78	S	S	*	*			trans	86.6	151.5	151.2	-99.8	-83.6	0	0	0	121.9
438	K	36.5	Very low	27.5	Very low	182 Å²	182	162.9 Å²	162.9	79%	0.791	78%	0.778	S	S	*	*			trans	-86.5	158.8	-175.4	-50.6	171	-178.1	175.3	0	111.5
439	K	25.2	Very low	27.6	Very low	215 Å²	215	160.4 Å²	160.4	94%	0.935	78%	0.78	S	S	*	*			trans	-135.4	151.5	145.1	-79.8	-167.9	176.3	-179.7	0	110.7
440	S	33.3	Very low	27.4	Very low	106 Å²	106	157.3 Å²	157.3	74%	0.741	78%	0.776	S	S	*	*			trans	-143.9	130.2	179.8	48.4	0	0	0	0	109.9
441	K	26.6	Very low	26.8	Very low	198 Å²	198	159.1 Å²	159.1	86%	0.861	77%	0.774	S	S	*	*			trans	-145.3	132.5	156.8	-89.3	-168	168.7	-171.2	0	106
442	V	25.3	Very low	26.7	Very low	114 Å²	114	159.2 Å²	159.2	69%	0.691	78%	0.78	S	S	*	*			cis	84.1	104	31.2	-176.5	0	0	0	0	113.7
443	F	21.5	Very low	26.5	Very low	197 Å²	197	160.9 Å²	160.9	86%	0.864	78%	0.784	S	S	*	*			trans	-161.8	131.6	150.1	-99.7	-77.8	0	0	0	103.8
444	K	23.8	Very low	26.8	Very low	148 Å²	148	154.4 Å²	154.4	64%	0.643	77%	0.771	S	S	*	*			cis	60.4	135.4	35.9	-80.4	-169.6	148.5	-129.7	0	112.1
445	E	23.3	Very low	26.9	Very low	118 Å²	118	152 Å²	152	55%	0.551	77%	0.769	S	S	*	*			cis	-161.1	-175.3	-1.5	-123.8	159.7	175.6	0	0	108.5
446	H	25.6	Very low	26.8	Very low	144 Å²	144	150.1 Å²	150.1	67%	0.667	77%	0.768	S	S	*	*			cis	-161.8	167.9	8.9	-132.2	-28.3	0	0	0	109.4
447	V	23.4	Very low	26.2	Very low	132 Å²	132	148.5 Å²	148.5	80%	0.8	76%	0.764	S	S	*	*			trans	69.8	149.8	148.7	163.7	0	0	0	0	116.6
448	A	23	Very low	26.3	Very low	90 Å²	90	146.7 Å²	146.7	74%	0.744	76%	0.763	S	S	*	*			cis	-132.3	175.3	21.9	0	0	0	0	0	116.2
449	S	26.2	Very low	25.7	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	76%	0.761	S	S	*	*			trans	-138.1	156	-178.6	-53.8	0	0	0	0	112
450	Q	23.4	Very low	25.9	Very low	170 Å²	170	140.5 Å²	140.5	79%	0.794	76%	0.757	S	S	*	*			trans	-137.1	144.7	149.1	-74.9	-178	-76.8	0	0	106.1
451	E	23	Very low	26.4	Very low	150 Å²	150	141 Å²	141	70%	0.701	76%	0.758	S	S	*	*			cis	-158.6	133.2	-8.2	-122.3	167.4	-131.6	0	0	108.3
452	T	22.3	Very low	26.5	Very low	147 Å²	147	135.3 Å²	135.3	90%	0.902	76%	0.755	S	S	*	*			trans	167.8	146.3	142.4	29.6	0	0	0	0	111.2
453	E	24.5	Very low	26.8	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	76%	0.761	S	S	*	*			trans	-119.7	179	-165.1	-78.3	-81.7	103.1	0	0	110.7
454	P	34.9	Very low	27.3	Very low	91 Å²	91	135.3 Å²	135.3	59%	0.591	75%	0.754	S	S	*	*			cis	-133	177.6	-35.6	27.1	-6.3	0	0	0	113.3
455	Q	27.8	Very low	27.8	Very low	174 Å²	174	136.3 Å²	136.3	81%	0.813	77%	0.767	S	S	*	*				154.1	136.4	120.9	-78.2	-173.3	9	0	0	115.8
456	H	27.8	Very low	28.1	Very low	183 Å²	183	135.6 Å²	135.6	85%	0.847	78%	0.781	S	S	*	*			trans	-17.8	159.6	163.2	-64.3	-93.2	0	0	0	121.4
457	A	28.1	Very low	28.4	Very low	72 Å²	72	137.4 Å²	137.4	60%	0.595	79%	0.79	S	S	*	*			cis	-176.2	174.7	-18.2	0	0	0	0	0	111.4
458	N	26.1	Very low	29	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	79%	0.786	S	S	*	*			trans	82	110.3	153.2	-62.7	-18.1	0	0	0	122.3
459	S	25.3	Very low	29.8	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	79%	0.788	S	S	*	*				81.5	89.7	119.2	-53.1	0	0	0	0	123.5
460	D	28.4	Very low	30.8	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	78%	0.784	S	S	*	*				65.1	166.4	122.5	-109.4	1.1	0	0	0	120.7
461	P	45.2	Very low	31.9	Very low	117 Å²	117	137 Å²	137	76%	0.76	79%	0.786	S	S	*	*				-129.7	160.7	-120.2	38.1	-19.4	0	0	0	117.3
462	G	27.8	Very low	33.5	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	79%	0.79	S	S	*	*			trans	-141.1	116.5	176.4	0	0	0	0	0	114.4
463	E	31.6	Very low	35.8	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	77%	0.774	S	S	*	*			trans	8.9	121.7	163.1	-51.1	-158.9	104.2	0	0	123.2
464	N	31.3	Very low	38.1	Very low	134 Å²	134	132 Å²	132	72%	0.717	75%	0.751	S	S	*	*			trans	37.7	118.1	132.6	-56.6	-59.1	0	0	0	121.4
465	N	34.3	Very low	40.1	Very low	169 Å²	169	134.8 Å²	134.8	90%	0.904	75%	0.753	S	S	*	*				174.7	124.8	117.6	-97.4	-61.7	0	0	0	112.6
466	A	31	Very low	42.7	Very low	103 Å²	103	126.5 Å²	126.5	85%	0.851	72%	0.715	S	S	*	*			trans	-167	144.4	158.8	0	0	0	0	0	115.4
467	E	32.3	Very low	44.6	Very low	182 Å²	182	129 Å²	129	85%	0.85	72%	0.717	S	S	*	*			trans	-20.9	161.3	172.7	-57.2	-163.8	110.5	0	0	124.7
468	P	35.7	Very low	46.3	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-83.7	145.8	161.1	35.6	-33.2	0	0	0	113.4
469	P	40	Very low	48.4	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76.4	159	-168	29.5	-36.7	0	0	0	116.1
470	P	45.8	Very low	50.8	Low	119 Å²	119	126.2 Å²	126.2	77%	0.773	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-77.9	153	-165.3	29.7	-37	0	0	0	116.1	K472	P470-K472 PolarHBondContact O-N 2.95Å
471	N	46.9	Very low	52.8	Low	154 Å²	154	124.8 Å²	124.8	82%	0.824	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-69.3	119.3	174.8	-74.4	-85.2	0	0	0	111.5	I473	N471-I473 PolarHBondContact O-N 3.23Å
472	K	56.3	Low	54.3	Low	182 Å²	182	123.6 Å²	123.6	79%	0.791	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-68.7	130.4	174.9	-69.1	-172.5	176.8	-175.9	0	111.6	P470 F474	P470-K472 PolarHBondContact O-N 2.95Å; K472-F474 WeakPolarHBondContact O-CE2 3.29Å
473	I	70.6	Confident	56.9	Low	109 Å²	109	122.1 Å²	122.1	56%	0.559	64%	0.635	S	S	*	*			trans	-108.3	137	-174.4	-69.8	172	0	0	0	109.8	N471 V482	N471-I473 PolarHBondContact O-N 3.23Å; I473-V482 HydrophobicContact CG2-CG1 3.19Å
474	F	73.7	Confident	59.1	Low	78 Å²	78	125.4 Å²	125.4	34%	0.342	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	117.7	-175	-59.6	-92.2	0	0	0	110.6	K472 F483 L489	K472-F474 WeakPolarHBondContact O-CE2 3.29Å; F474-F483 PolarHBondContact N-O 2.94Å; F474-F483 PolarHBondContact O-N 2.71Å; F474-L489 HydrophobicContact CB-CB 4.42Å; F474-L489 HydrophobicContact CB-CD2 4.01Å
475	K	76.3	Confident	61.5	Low	148 Å²	148	121.8 Å²	121.8	64%	0.643	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.6	144.5	178.8	-56.5	-175.2	-176.6	178.3	0	110.9	V482 L489	K475-V482 HydrophobicContact CG-CG2 4.41Å; K475-L489 WeakPolarHBondContact O-CD2 3.23Å
476	C	81.8	Confident	63.4	Low	1 Å²	1	116.2 Å²	116.2	1%	0.007	60%	0.599	C	S	.	*			trans	-79.4	127.6	170.4	-176.3	0	0	0	0	110.5	N478 L480 K481 F483 L489 H492	C476-N478 PolarHBondContact O-N 3.04Å; C476-L480 WeakPolarHBondContact O-CA 3.38Å; C476-L480 PolarHBondContact O-N 3.22Å; C476-K481 PolarHBondContact N-O 3.21Å; C476-F483 HydrophobicContact CB-CE2 4.29Å; C476-L489 HydrophobicContact CB-CD1 3.49Å; C476-L489 VanDerWaalsContact CB-CD1 3.49Å; C476-H492 PolarHBondContact SG-NE2 3.47Å
477	W	68.1	Low	65.8	Low	236 Å²	236	114.9 Å²	114.9	89%	0.894	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-41.4	177.6	-162	-94.4	0	0	0	111.6	C479	W477-C479 PolarHBondContact O-N 2.81Å
478	N	63.2	Low	68.1	Low	102 Å²	102	106.8 Å²	106.8	55%	0.545	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-8.9	-171.7	-51.8	75.8	0	0	0	115.8	C476 H497	C476-N478 PolarHBondContact O-N 3.04Å; N478-H497 HydrophobicContact CB-CB 4.08Å; N478-H497 VanDerWaalsContact CB-CG 3.48Å; N478-H497 WeakPolarHBondContact CB-ND1 3.42Å; N478-H497 PolarHBondContact O-CE1 3.34Å
479	C	71.8	Confident	70.5	Confident	48 Å²	48	102.8 Å²	102.8	32%	0.324	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	17.4	169.3	71.8	0	0	0	0	115.1	W477 K481 H492 H497	W477-C479 PolarHBondContact O-N 2.81Å; C479-K481 PolarHBondContact O-N 2.88Å; C479-H492 PolarHBondContact SG-CE1 2.99Å; C479-H492 PolarHBondContact SG-NE2 3.42Å; C479-H497 PolarHBondContact SG-NE2 3.12Å
480	L	74.4	Confident	72	Confident	122 Å²	122	102 Å²	102	64%	0.639	51%	0.511	S	S	*	.			trans	58	1.4	176.9	-54	-179.9	0	0	0	116.8	C476 V482	C476-L480 WeakPolarHBondContact O-CA 3.38Å; C476-L480 PolarHBondContact O-N 3.22Å; L480-V482 WeakPolarHBondContact O-CG2 3.25Å
481	K	69.9	Low	73.4	Confident	129 Å²	129	105 Å²	105	56%	0.561	51%	0.507	S	S	*	.			trans	-58	138.3	178.7	-77.5	-178.7	-179.8	171.7	0	112.4	C476 C479 F483	C476-K481 PolarHBondContact N-O 3.21Å; C479-K481 PolarHBondContact O-N 2.88Å; K481-F483 HydrophobicContact CB-CE2 3.81Å; K481-F483 HydrophobicContact CB-CZ 4.09Å; K481-F483 VanDerWaalsContact O-CD2 3.29Å; K481-F483 WeakPolarHBondContact O-CD2 3.46Å; K481-F483 VanDerWaalsContact O-CE2 3.29Å; K481-F483 WeakPolarHBondContact O-CE2 3.38Å
482	V	77.2	Confident	74.9	Confident	93 Å²	93	98.4 Å²	98.4	56%	0.564	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.4	-163.1	-173.7	0	0	0	0	110.7	I473 K475 L480	I473-V482 HydrophobicContact CG2-CG1 3.19Å; K475-V482 HydrophobicContact CG-CG2 4.41Å; L480-V482 WeakPolarHBondContact O-CG2 3.25Å
483	F	83.3	Confident	75.8	Confident	46 Å²	46	91.9 Å²	91.9	20%	0.202	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.9	-175.2	-61.8	-85.9	0	0	0	111.7	F474 C476 K481 S485 L489 H492	F474-F483 PolarHBondContact N-O 2.94Å; F474-F483 PolarHBondContact O-N 2.71Å; C476-F483 HydrophobicContact CB-CE2 4.29Å; K481-F483 HydrophobicContact CB-CE2 3.81Å; K481-F483 HydrophobicContact CB-CZ 4.09Å; K481-F483 VanDerWaalsContact O-CD2 3.29Å; K481-F483 WeakPolarHBondContact O-CD2 3.46Å; K481-F483 VanDerWaalsContact O-CE2 3.29Å; K481-F483 WeakPolarHBondContact O-CE2 3.38Å; F483-S485 PolarHBondContact O-N 2.91Å; F483-L489 HydrophobicContact CB-CB 4.18Å; F483-L489 HydrophobicContact CD2-CB 3.87Å; F483-L489 HydrophobicContact CD2-CD1 3.98Å; F483-L489 HydrophobicContact CE2-CD1 4.15Å; F483-L489 HydrophobicContact CG-CB 4.1Å; F483-H492 HydrophobicContact CE1-CB 3.94Å; F483-H492 HydrophobicContact CE2-CB 4.1Å; F483-H492 AromaticContact CE2-CD2 3.38Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.47Å; F483-H492 AromaticContact CE2-CG 3.84Å; F483-H492 HydrophobicContact CZ-CB 3.45Å; F483-H492 VanDerWaalsContact CZ-CB 3.45Å; F483-H492 AromaticContact CZ-CD2 3.43Å; F483-H492 VanDerWaalsContact CZ-CD2 3.43Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.13Å; F483-H492 AromaticContact CZ-CG 3.38Å
484	R	77.3	Confident	75.7	Confident	246 Å²	246	90.7 Å²	90.7	93%	0.928	44%	0.441	S	S	*	.	S	Bend	trans	-76.8	4.1	174.2	-66	-178.3	171.2	94.5	-1	113.6
485	S	81.5	Confident	75.1	Confident	57 Å²	57	91.7 Å²	91.7	40%	0.399	45%	0.448	S	S	.	.	S	Bend	trans	-159.8	146.9	173.5	67.1	0	0	0	0	112.3	F483 A487 G488 L489	F483-S485 PolarHBondContact O-N 2.91Å; S485-A487 VanDerWaalsContact C-N 3.27Å; S485-A487 PolarHBondContact O-N 2.82Å; S485-G488 PolarHBondContact O-N 3.29Å; S485-G488 PolarHBondContact OG-N 3.38Å; S485-L489 PolarHBondContact O-N 2.8Å
486	S	74.7	Confident	74.3	Confident	52 Å²	52	92.3 Å²	92.3	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-57.3	-36.9	174.5	169.6	0	0	0	0	112.8	G488 L489 H490	S486-G488 VanDerWaalsContact C-N 3.32Å; S486-G488 PolarHBondContact O-N 3.08Å; S486-L489 WeakPolarHBondContact O-CB 3.19Å; S486-L489 PolarHBondContact O-N 3.19Å; S486-H490 PolarHBondContact O-N 3.48Å
487	A	80.2	Confident	73.4	Confident	76 Å²	76	95.2 Å²	95.2	63%	0.628	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-34.1	175.2	0	0	0	0	0	113.1	S485 R491	S485-A487 VanDerWaalsContact C-N 3.27Å; S485-A487 PolarHBondContact O-N 2.82Å; A487-R491 PolarHBondContact O-N 2.87Å
488	G	81.4	Confident	73	Confident	11 Å²	11	86.4 Å²	86.4	11%	0.113	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-43.5	172.8	0	0	0	0	0	112.1	S485 S486 H492	S485-G488 PolarHBondContact O-N 3.29Å; S485-G488 PolarHBondContact OG-N 3.38Å; S486-G488 VanDerWaalsContact C-N 3.32Å; S486-G488 PolarHBondContact O-N 3.08Å; G488-H492 PolarHBondContact O-N 2.98Å
489	L	85.8	Confident	72.5	Confident	29 Å²	29	86.5 Å²	86.5	15%	0.152	44%	0.437	C	S	.	.	H	α-helix	trans	-62.1	-54.4	175.5	168.5	58.1	0	0	0	112.1	F474 K475 C476 F483 S485 S486 R491 H492 V493	F474-L489 HydrophobicContact CB-CB 4.42Å; F474-L489 HydrophobicContact CB-CD2 4.01Å; K475-L489 WeakPolarHBondContact O-CD2 3.23Å; C476-L489 HydrophobicContact CB-CD1 3.49Å; C476-L489 VanDerWaalsContact CB-CD1 3.49Å; F483-L489 HydrophobicContact CB-CB 4.18Å; F483-L489 HydrophobicContact CD2-CB 3.87Å; F483-L489 HydrophobicContact CD2-CD1 3.98Å; F483-L489 HydrophobicContact CE2-CD1 4.15Å; F483-L489 HydrophobicContact CG-CB 4.1Å; S485-L489 PolarHBondContact O-N 2.8Å; S486-L489 WeakPolarHBondContact O-CB 3.19Å; S486-L489 PolarHBondContact O-N 3.19Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.14Å; L489-H492 WeakPolarHBondContact O-CA 3.47Å; L489-H492 WeakPolarHBondContact O-CB 3.07Å; L489-H492 PolarHBondContact O-N 3Å; L489-V493 HydrophobicContact CD1-CG2 3.72Å; L489-V493 HydrophobicContact CG-CG2 4.4Å; L489-V493 PolarHBondContact O-N 3.33Å
490	H	72.7	Confident	71.6	Confident	104 Å²	104	90.4 Å²	90.4	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-54.5	-43.6	-179.5	-104.6	-68.3	0	0	0	112.6	R123 S486 H492 V493 N494	R123-H490 PolarHBondContact NH2-NE2 3.44Å; S486-H490 PolarHBondContact O-N 3.48Å; H490-H492 VanDerWaalsContact C-N 3.29Å; H490-H492 PolarHBondContact O-N 2.81Å; H490-V493 PolarHBondContact O-N 3.1Å; H490-N494 WeakPolarHBondContact O-CB 3.2Å; H490-N494 PolarHBondContact O-N 2.85Å
491	R	75.4	Confident	71.3	Confident	182 Å²	182	88 Å²	88	69%	0.687	44%	0.436	S	S	*	.	H	α-helix	trans	-63.9	-33.9	177	-176.7	-179.6	64.3	172.9	-0.4	112.4	A487 L489 M495	A487-R491 PolarHBondContact O-N 2.87Å; L489-R491 VanDerWaalsContact C-N 3.29Å; L489-R491 PolarHBondContact O-N 3.14Å; R491-M495 WeakPolarHBondContact O-CB 3.41Å; R491-M495 PolarHBondContact O-N 3.46Å
492	H	78.4	Confident	71	Confident	15 Å²	15	86.4 Å²	86.4	7%	0.069	44%	0.438	C	S	.	.	H	α-helix	trans	-73.9	-46.4	176.7	155	66	0	0	0	111.6	C476 C479 F483 G488 L489 H490 N494 M495 Y496 H497	C476-H492 PolarHBondContact SG-NE2 3.47Å; C479-H492 PolarHBondContact SG-CE1 2.99Å; C479-H492 PolarHBondContact SG-NE2 3.42Å; F483-H492 HydrophobicContact CE1-CB 3.94Å; F483-H492 HydrophobicContact CE2-CB 4.1Å; F483-H492 AromaticContact CE2-CD2 3.38Å; F483-H492 WeakPolarHBondContact CE2-CD2 3.47Å; F483-H492 AromaticContact CE2-CG 3.84Å; F483-H492 HydrophobicContact CZ-CB 3.45Å; F483-H492 VanDerWaalsContact CZ-CB 3.45Å; F483-H492 AromaticContact CZ-CD2 3.43Å; F483-H492 VanDerWaalsContact CZ-CD2 3.43Å; F483-H492 WeakPolarHBondContact CZ-CD2 3.13Å; F483-H492 AromaticContact CZ-CG 3.38Å; G488-H492 PolarHBondContact O-N 2.98Å; L489-H492 WeakPolarHBondContact O-CA 3.47Å; L489-H492 WeakPolarHBondContact O-CB 3.07Å; L489-H492 PolarHBondContact O-N 3Å; H490-H492 VanDerWaalsContact C-N 3.29Å; H490-H492 PolarHBondContact O-N 2.81Å; H492-N494 PolarHBondContact O-N 3.15Å; H492-M495 PolarHBondContact O-N 2.95Å; H492-M495 VanDerWaalsContact O-N 3.12Å; H492-Y496 AromaticContact ND1-CD2 3.33Å; H492-Y496 VanDerWaalsContact ND1-CD2 3.33Å; H492-Y496 WeakPolarHBondContact ND1-CD2 3.47Å; H492-Y496 AromaticContact ND1-CG 4Å; H492-Y496 WeakPolarHBondContact O-CD2 3.39Å; H492-Y496 PolarHBondContact O-N 3.43Å; H492-H497 AromaticContact CE1-CD2 3.74Å; H492-H497 AromaticContact CE1-NE2 3.43Å; H492-H497 PolarHBondContact CE1-NE2 3.34Å; H492-H497 AromaticContact NE2-CD2 3.64Å; H492-H497 AromaticContact NE2-NE2 3.45Å; H492-H497 PolarHBondContact NE2-NE2 3.38Å
493	V	73.5	Confident	70.5	Confident	45 Å²	45	87 Å²	87	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-55.1	-51.4	175.4	175.5	0	0	0	0	110.4	L489 H490 M495 Y496 H497 N498	L489-V493 HydrophobicContact CD1-CG2 3.72Å; L489-V493 HydrophobicContact CG-CG2 4.4Å; L489-V493 PolarHBondContact O-N 3.33Å; H490-V493 PolarHBondContact O-N 3.1Å; V493-M495 PolarHBondContact O-N 2.94Å; V493-M495 VanDerWaalsContact O-N 3.09Å; V493-Y496 PolarHBondContact O-N 2.86Å; V493-H497 HydrophobicContact CG1-CB 4.36Å; V493-H497 CarbonylContact O-C 3.53Å; V493-H497 WeakPolarHBondContact O-CA 3.22Å; V493-H497 PolarHBondContact O-N 3.46Å; V493-N498 PolarHBondContact O-N 3.05Å
494	N	70.3	Confident	69.9	Low	85 Å²	85	86.5 Å²	86.5	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-72.1	-2.7	-177.8	-159.4	51.6	0	0	0	115.1	H490 H492 N498	H490-N494 WeakPolarHBondContact O-CB 3.2Å; H490-N494 PolarHBondContact O-N 2.85Å; H492-N494 PolarHBondContact O-N 3.15Å; N494-N498 PolarHBondContact OD1-ND2 3.21Å; N494-N498 VanDerWaalsContact OD1-ND2 3.08Å
495	M	61.1	Low	70	Confident	98 Å²	98	74.8 Å²	74.8	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-117.5	-14.8	-178.9	-168.1	165.5	72.5	0	0	113.6	R491 H492 V493	R491-M495 WeakPolarHBondContact O-CB 3.41Å; R491-M495 PolarHBondContact O-N 3.46Å; H492-M495 PolarHBondContact O-N 2.95Å; H492-M495 VanDerWaalsContact O-N 3.12Å; V493-M495 PolarHBondContact O-N 2.94Å; V493-M495 VanDerWaalsContact O-N 3.09Å
496	Y	59.5	Low	69.3	Low	162 Å²	162	76.9 Å²	76.9	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-131.7	-18.7	-178.5	-65.7	-79.5	0	0	0	114.7	H492 V493	H492-Y496 AromaticContact ND1-CD2 3.33Å; H492-Y496 VanDerWaalsContact ND1-CD2 3.33Å; H492-Y496 WeakPolarHBondContact ND1-CD2 3.47Å; H492-Y496 AromaticContact ND1-CG 4Å; H492-Y496 WeakPolarHBondContact O-CD2 3.39Å; H492-Y496 PolarHBondContact O-N 3.43Å; V493-Y496 PolarHBondContact O-N 2.86Å
497	H	62.9	Low	69.1	Low	62 Å²	62	78.5 Å²	78.5	29%	0.287	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-15.8	-176.1	-62.6	-63.5	0	0	0	113.9	N478 C479 H492 V493 P499	N478-H497 HydrophobicContact CB-CB 4.08Å; N478-H497 VanDerWaalsContact CB-CG 3.48Å; N478-H497 WeakPolarHBondContact CB-ND1 3.42Å; N478-H497 PolarHBondContact O-CE1 3.34Å; C479-H497 PolarHBondContact SG-NE2 3.12Å; H492-H497 AromaticContact CE1-CD2 3.74Å; H492-H497 AromaticContact CE1-NE2 3.43Å; H492-H497 PolarHBondContact CE1-NE2 3.34Å; H492-H497 AromaticContact NE2-CD2 3.64Å; H492-H497 AromaticContact NE2-NE2 3.45Å; H492-H497 PolarHBondContact NE2-NE2 3.38Å; V493-H497 HydrophobicContact CG1-CB 4.36Å; V493-H497 CarbonylContact O-C 3.53Å; V493-H497 WeakPolarHBondContact O-CA 3.22Å; V493-H497 PolarHBondContact O-N 3.46Å; H497-P499 WeakPolarHBondContact O-CD 3.48Å
498	N	57.8	Low	68.6	Low	51 Å²	51	76.8 Å²	76.8	27%	0.273	38%	0.384	S	S	.	.			trans	-96.6	110.4	167.8	-170	3.4	0	0	0	110.7	V493 N494 E500	V493-N498 PolarHBondContact O-N 3.05Å; N494-N498 PolarHBondContact OD1-ND2 3.21Å; N494-N498 VanDerWaalsContact OD1-ND2 3.08Å; N498-E500 PolarHBondContact O-N 2.86Å; N498-E500 VanDerWaalsContact OD1-CB 3.27Å; N498-E500 WeakPolarHBondContact OD1-CB 3.41Å; N498-E500 WeakPolarHBondContact OD1-CG 3.44Å; N498-E500 PolarHBondContact OD1-N 2.78Å
499	P	53.5	Low	67.6	Low	103 Å²	103	83 Å²	83	67%	0.669	41%	0.41	S	S	*	.			trans	-75.4	-12.7	174.3	32.3	-34.9	0	0	0	112.8	H497 K501	H497-P499 WeakPolarHBondContact O-CD 3.48Å; P499-K501 PolarHBondContact O-N 3.2Å
500	E	52.9	Low	66.6	Low	130 Å²	130	87.2 Å²	87.2	61%	0.607	43%	0.427	S	S	*	.			trans	-68.8	118.1	-178.1	-60.2	-161	135.5	0	0	112.1	N498 H513	N498-E500 PolarHBondContact O-N 2.86Å; N498-E500 VanDerWaalsContact OD1-CB 3.27Å; N498-E500 WeakPolarHBondContact OD1-CB 3.41Å; N498-E500 WeakPolarHBondContact OD1-CG 3.44Å; N498-E500 PolarHBondContact OD1-N 2.78Å; E500-H513 PolarHBondContact O-ND1 2.99Å
501	K	67.8	Low	66.4	Low	73 Å²	73	88.7 Å²	88.7	32%	0.317	43%	0.429	S	S	.	.			trans	-126.3	90.7	180	-75.1	170.6	-169.5	166.8	0	105.8	P499 Y503 R511 F512 H513	P499-K501 PolarHBondContact O-N 3.2Å; K501-Y503 PolarHBondContact O-N 3.1Å; K501-R511 HydrophobicContact CB-CB 3.51Å; K501-R511 HydrophobicContact CD-CB 4.16Å; K501-R511 WeakPolarHBondContact CD-O 3.44Å; K501-R511 HydrophobicContact CG-CB 4.48Å; K501-R511 PolarHBondContact O-NE 3.46Å; K501-R511 PolarHBondContact O-NH2 2.94Å; K501-F512 CarbonylContact C-O 3.5Å; K501-H513 WeakPolarHBondContact CE-NE2 3.24Å; K501-H513 VanDerWaalsContact CG-CE1 3.46Å; K501-H513 WeakPolarHBondContact CG-CE1 3.31Å; K501-H513 WeakPolarHBondContact CG-ND1 3.44Å
502	P	64.5	Low	66.6	Low	94 Å²	94	82.3 Å²	82.3	61%	0.61	41%	0.406	S	S	*	.			trans	-67.3	-19.1	-167.1	22.7	-32.2	0	0	0	113.5
503	Y	65.6	Low	66	Low	105 Å²	105	84.1 Å²	84.1	41%	0.412	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-101.2	104.8	-179.3	-48.8	-76	0	0	0	110.5	K501 R511 F512 T514 N515 V518	K501-Y503 PolarHBondContact O-N 3.1Å; Y503-R511 CarbonylContact O-C 3.59Å; Y503-R511 WeakPolarHBondContact O-CA 3.48Å; Y503-F512 PolarHBondContact N-O 3.15Å; Y503-F512 PolarHBondContact O-N 2.99Å; Y503-T514 VanDerWaalsContact CD2-CA 3.45Å; Y503-N515 HydrophobicContact CD1-CB 3.85Å; Y503-N515 VanDerWaalsContact CD2-N 3.27Å; Y503-N515 HydrophobicContact CE1-CB 3.95Å; Y503-N515 HydrophobicContact CG-CB 4.14Å; Y503-V518 VanDerWaalsContact CB-CG2 3.45Å; Y503-V518 WeakPolarHBondContact O-CG2 3.36Å
504	A	71.4	Confident	66.1	Low	37 Å²	37	85.1 Å²	85.1	31%	0.306	42%	0.421	S	S	.	.			trans	-81	166.7	167.7	0	0	0	0	0	111.2	K510 R511 V518	A504-K510 CarbonylContact C-O 3.52Å; A504-R511 HydrophobicContact CB-CG 4.39Å; A504-V518 WeakPolarHBondContact O-CG1 3.39Å; A504-V518 WeakPolarHBondContact O-CG2 2.77Å
505	C	79.7	Confident	66.2	Low	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.414	C	S	.	.			trans	-102.3	125	162.4	170.8	0	0	0	0	108.6	I507 C508 H509 K510 V518 C522	C505-I507 PolarHBondContact O-N 3.42Å; C505-C508 PolarHBondContact O-N 2.8Å; C505-H509 WeakPolarHBondContact O-CA 3.27Å; C505-H509 PolarHBondContact O-N 2.97Å; C505-K510 PolarHBondContact N-O 2.86Å; C505-V518 HydrophobicContact CB-CG1 4.17Å; C505-C522 PolarHBondContact SG-SG 3.03Å
506	D	65.9	Low	67.2	Low	100 Å²	100	85.6 Å²	85.6	54%	0.535	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.6	-170.3	-43.2	-71.5	0	0	0	112.7	H509 P532	D506-H509 PolarHBondContact O-CE1 3.27Å; D506-H509 VanDerWaalsContact O-CE1 3.27Å; D506-P532 VanDerWaalsContact OD2-CB 3.25Å; D506-P532 WeakPolarHBondContact OD2-CB 2.93Å
507	I	70.8	Confident	68	Low	87 Å²	87	83 Å²	83	45%	0.446	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-22	-177.1	-50.1	169.8	0	0	0	112.3	C505 H526 V528	C505-I507 PolarHBondContact O-N 3.42Å; I507-H526 HydrophobicContact CD1-CB 3.76Å; I507-H526 HydrophobicContact CG2-CB 4.31Å; I507-V528 HydrophobicContact CD1-CG2 3.74Å
508	C	70.1	Confident	68.9	Low	39 Å²	39	80.2 Å²	80.2	26%	0.264	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.5	15.7	175.5	76.2	0	0	0	0	115.9	C505 K510 H521 H526	C505-C508 PolarHBondContact O-N 2.8Å; C508-K510 PolarHBondContact O-N 3.01Å; C508-H521 PolarHBondContact SG-NE2 2.93Å; C508-H526 PolarHBondContact SG-NE2 3.25Å
509	H	61.1	Low	69.9	Low	141 Å²	141	81.9 Å²	81.9	65%	0.653	40%	0.401	S	S	*	.			trans	52.3	16.5	174.2	-47.9	-52.6	0	0	0	116.7	C505 D506 R511	C505-H509 WeakPolarHBondContact O-CA 3.27Å; C505-H509 PolarHBondContact O-N 2.97Å; D506-H509 PolarHBondContact O-CE1 3.27Å; D506-H509 VanDerWaalsContact O-CE1 3.27Å; H509-R511 PolarHBondContact O-N 3.11Å
510	K	64.1	Low	71	Confident	118 Å²	118	79.1 Å²	79.1	51%	0.513	38%	0.382	S	S	.	.			trans	-67.8	123.3	172.7	-64.5	-175.1	-159.5	-43.9	0	109.3	A504 C505 C508 F512	A504-K510 CarbonylContact C-O 3.52Å; C505-K510 PolarHBondContact N-O 2.86Å; C508-K510 PolarHBondContact O-N 3.01Å; K510-F512 HydrophobicContact CB-CE2 3.66Å; K510-F512 HydrophobicContact CB-CZ 4.04Å; K510-F512 WeakPolarHBondContact O-CD2 3.21Å; K510-F512 WeakPolarHBondContact O-CE2 3.38Å
511	R	68.8	Low	72.2	Confident	136 Å²	136	73.9 Å²	73.9	51%	0.513	36%	0.358	S	S	.	.			trans	-90.1	141.6	179.9	-55.5	179.2	66	-176.5	7.3	111.8	K501 Y503 A504 H509	K501-R511 HydrophobicContact CB-CB 3.51Å; K501-R511 HydrophobicContact CD-CB 4.16Å; K501-R511 WeakPolarHBondContact CD-O 3.44Å; K501-R511 HydrophobicContact CG-CB 4.48Å; K501-R511 PolarHBondContact O-NE 3.46Å; K501-R511 PolarHBondContact O-NH2 2.94Å; Y503-R511 CarbonylContact O-C 3.59Å; Y503-R511 WeakPolarHBondContact O-CA 3.48Å; A504-R511 HydrophobicContact CB-CG 4.39Å; H509-R511 PolarHBondContact O-N 3.11Å
512	F	78.5	Confident	72.5	Confident	47 Å²	47	70.4 Å²	70.4	21%	0.206	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-134.9	151	-179	-59.2	-97.1	0	0	0	111.5	K501 Y503 K510 T514 K517 V518 H521	K501-F512 CarbonylContact C-O 3.5Å; Y503-F512 PolarHBondContact N-O 3.15Å; Y503-F512 PolarHBondContact O-N 2.99Å; K510-F512 HydrophobicContact CB-CE2 3.66Å; K510-F512 HydrophobicContact CB-CZ 4.04Å; K510-F512 WeakPolarHBondContact O-CD2 3.21Å; K510-F512 WeakPolarHBondContact O-CE2 3.38Å; F512-T514 VanDerWaalsContact C-N 3.3Å; F512-T514 PolarHBondContact O-N 3.1Å; F512-K517 HydrophobicContact CB-CB 3.94Å; F512-K517 HydrophobicContact CD1-CB 3.81Å; F512-K517 HydrophobicContact CG-CB 4.11Å; F512-V518 HydrophobicContact CB-CG2 4.01Å; F512-V518 HydrophobicContact CD2-CG2 3.78Å; F512-V518 HydrophobicContact CG-CG2 4.22Å; F512-H521 HydrophobicContact CE1-CB 4.26Å; F512-H521 HydrophobicContact CE2-CB 4.1Å; F512-H521 AromaticContact CE2-CD2 3.4Å; F512-H521 VanDerWaalsContact CE2-CD2 3.4Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.35Å; F512-H521 AromaticContact CE2-CG 3.75Å; F512-H521 AromaticContact CE2-NE2 3.95Å; F512-H521 HydrophobicContact CZ-CB 3.68Å; F512-H521 AromaticContact CZ-CD2 3.55Å; F512-H521 AromaticContact CZ-CG 3.4Å; F512-H521 VanDerWaalsContact CZ-CG 3.4Å; F512-H521 AromaticContact CZ-ND1 3.85Å
513	H	66.4	Low	73.2	Confident	54 Å²	54	68.6 Å²	68.6	25%	0.25	33%	0.326	C	S	.	.	S	Bend	trans	-77.4	-6.6	179.9	-58.8	-84.5	0	0	0	114.5	E500 K501	E500-H513 PolarHBondContact O-ND1 2.99Å; K501-H513 WeakPolarHBondContact CE-NE2 3.24Å; K501-H513 VanDerWaalsContact CG-CE1 3.46Å; K501-H513 WeakPolarHBondContact CG-CE1 3.31Å; K501-H513 WeakPolarHBondContact CG-ND1 3.44Å
514	T	74.8	Confident	73.3	Confident	65 Å²	65	66.4 Å²	66.4	40%	0.399	32%	0.324	S	S	.	.	S	Bend	trans	-146.3	140.6	177.7	56.9	0	0	0	0	111.8	Y503 F512 F516 K517 V518	Y503-T514 VanDerWaalsContact CD2-CA 3.45Å; F512-T514 VanDerWaalsContact C-N 3.3Å; F512-T514 PolarHBondContact O-N 3.1Å; T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.37Å; T514-K517 WeakPolarHBondContact O-CB 3.35Å; T514-K517 PolarHBondContact O-N 2.84Å; T514-K517 WeakPolarHBondContact OG1-CG 3.17Å; T514-V518 PolarHBondContact O-N 2.81Å
515	N	73.7	Confident	73	Confident	58 Å²	58	70.5 Å²	70.5	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-54.5	-42.2	178	175.1	-70.8	0	0	0	112.4	Y503 K517 V518 W519	Y503-N515 HydrophobicContact CD1-CB 3.85Å; Y503-N515 VanDerWaalsContact CD2-N 3.27Å; Y503-N515 HydrophobicContact CE1-CB 3.95Å; Y503-N515 HydrophobicContact CG-CB 4.14Å; N515-K517 PolarHBondContact O-N 3.39Å; N515-K517 VanDerWaalsContact O-N 3.1Å; N515-V518 CarbonylContact O-C 3.55Å; N515-V518 WeakPolarHBondContact O-CA 3.18Å; N515-V518 WeakPolarHBondContact O-CB 3.2Å; N515-V518 PolarHBondContact O-N 3.28Å; N515-W519 PolarHBondContact O-N 3.19Å
516	F	81.2	Confident	72.7	Confident	135 Å²	135	73.4 Å²	73.4	59%	0.592	35%	0.35	S	S	*	.	H	α-helix	trans	-56	-30.2	175.3	-178.9	-97.9	0	0	0	114	T514 W519 T520	T514-F516 VanDerWaalsContact C-N 3.3Å; T514-F516 PolarHBondContact O-N 3.37Å; F516-W519 HydrophobicContact CD2-CE3 4.12Å; F516-W519 AromaticContact CE2-CE3 3.94Å; F516-W519 HydrophobicContact CE2-CE3 3.94Å; F516-W519 AromaticContact CE2-CZ3 3.95Å; F516-W519 HydrophobicContact CE2-CZ3 3.95Å; F516-T520 HydrophobicContact CD1-CG2 4.21Å; F516-T520 HydrophobicContact CD2-CG2 4.49Å; F516-T520 HydrophobicContact CE1-CG2 3.7Å; F516-T520 HydrophobicContact CE2-CG2 4Å; F516-T520 HydrophobicContact CZ-CG2 3.58Å; F516-T520 WeakPolarHBondContact O-CB 3.32Å; F516-T520 WeakPolarHBondContact O-CG2 3.08Å; F516-T520 PolarHBondContact O-N 3.21Å; F516-T520 PolarHBondContact O-OG1 2.96Å
517	K	76.6	Confident	72.3	Confident	108 Å²	108	71.1 Å²	71.1	47%	0.47	35%	0.35	S	S	.	.	H	α-helix	trans	-75.3	-31.2	173.6	-75.2	178.3	178.7	179.5	0	112.5	F512 T514 N515 T520 H521	F512-K517 HydrophobicContact CB-CB 3.94Å; F512-K517 HydrophobicContact CD1-CB 3.81Å; F512-K517 HydrophobicContact CG-CB 4.11Å; T514-K517 WeakPolarHBondContact O-CB 3.35Å; T514-K517 PolarHBondContact O-N 2.84Å; T514-K517 WeakPolarHBondContact OG1-CG 3.17Å; N515-K517 PolarHBondContact O-N 3.39Å; N515-K517 VanDerWaalsContact O-N 3.1Å; K517-T520 WeakPolarHBondContact CA-OG1 3.41Å; K517-T520 PolarHBondContact O-OG1 2.85Å; K517-H521 WeakPolarHBondContact O-CB 3.28Å; K517-H521 PolarHBondContact O-N 3.34Å; K517-H521 VanDerWaalsContact O-N 3.1Å
518	V	81	Confident	71.9	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-51.2	167.8	-177.4	0	0	0	0	110.3	Y503 A504 C505 F512 T514 N515 T520 H521 C522 P532	Y503-V518 VanDerWaalsContact CB-CG2 3.45Å; Y503-V518 WeakPolarHBondContact O-CG2 3.36Å; A504-V518 WeakPolarHBondContact O-CG1 3.39Å; A504-V518 WeakPolarHBondContact O-CG2 2.77Å; C505-V518 HydrophobicContact CB-CG1 4.17Å; F512-V518 HydrophobicContact CB-CG2 4.01Å; F512-V518 HydrophobicContact CD2-CG2 3.78Å; F512-V518 HydrophobicContact CG-CG2 4.22Å; T514-V518 PolarHBondContact O-N 2.81Å; N515-V518 CarbonylContact O-C 3.55Å; N515-V518 WeakPolarHBondContact O-CA 3.18Å; N515-V518 WeakPolarHBondContact O-CB 3.2Å; N515-V518 PolarHBondContact O-N 3.28Å; V518-T520 PolarHBondContact O-N 3.12Å; V518-H521 CarbonylContact O-C 3.57Å; V518-H521 WeakPolarHBondContact O-CA 3.43Å; V518-H521 WeakPolarHBondContact O-CB 3.29Å; V518-H521 PolarHBondContact O-N 3.37Å; V518-C522 PolarHBondContact O-N 2.77Å; V518-C522 PolarHBondContact O-SG 2.82Å; V518-C522 VanDerWaalsContact O-SG 3.39Å; V518-P532 HydrophobicContact CG1-CG 4.25Å
519	W	78.9	Confident	71	Confident	85 Å²	85	73 Å²	73	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-49.9	-179.1	175.7	74.3	0	0	0	112	N515 F516 H521 C522 Q523	N515-W519 PolarHBondContact O-N 3.19Å; F516-W519 HydrophobicContact CD2-CE3 4.12Å; F516-W519 AromaticContact CE2-CE3 3.94Å; F516-W519 HydrophobicContact CE2-CE3 3.94Å; F516-W519 AromaticContact CE2-CZ3 3.95Å; F516-W519 HydrophobicContact CE2-CZ3 3.95Å; W519-H521 PolarHBondContact O-N 2.97Å; W519-C522 PolarHBondContact O-N 3.46Å; W519-Q523 HydrophobicContact CZ2-CG 4.23Å; W519-Q523 WeakPolarHBondContact O-CB 3.44Å; W519-Q523 PolarHBondContact O-N 3.02Å
520	T	77.3	Confident	70.5	Confident	46 Å²	46	73.7 Å²	73.7	28%	0.282	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-27.5	174.8	48.4	0	0	0	0	113.3	F516 K517 V518 T524	F516-T520 HydrophobicContact CD1-CG2 4.21Å; F516-T520 HydrophobicContact CD2-CG2 4.49Å; F516-T520 HydrophobicContact CE1-CG2 3.7Å; F516-T520 HydrophobicContact CE2-CG2 4Å; F516-T520 HydrophobicContact CZ-CG2 3.58Å; F516-T520 WeakPolarHBondContact O-CB 3.32Å; F516-T520 WeakPolarHBondContact O-CG2 3.08Å; F516-T520 PolarHBondContact O-N 3.21Å; F516-T520 PolarHBondContact O-OG1 2.96Å; K517-T520 WeakPolarHBondContact CA-OG1 3.41Å; K517-T520 PolarHBondContact O-OG1 2.85Å; V518-T520 PolarHBondContact O-N 3.12Å; T520-T524 WeakPolarHBondContact O-CB 3.4Å; T520-T524 WeakPolarHBondContact O-CG2 3.24Å; T520-T524 PolarHBondContact O-N 3.35Å; T520-T524 PolarHBondContact O-OG1 3.06Å
521	H	78.5	Confident	69.6	Low	19 Å²	19	71.4 Å²	71.4	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-73.3	-49.8	173.4	165.4	63.8	0	0	0	112	C508 F512 K517 V518 W519 Q523 T524 Q525 H526	C508-H521 PolarHBondContact SG-NE2 2.93Å; F512-H521 HydrophobicContact CE1-CB 4.26Å; F512-H521 HydrophobicContact CE2-CB 4.1Å; F512-H521 AromaticContact CE2-CD2 3.4Å; F512-H521 VanDerWaalsContact CE2-CD2 3.4Å; F512-H521 WeakPolarHBondContact CE2-CD2 3.35Å; F512-H521 AromaticContact CE2-CG 3.75Å; F512-H521 AromaticContact CE2-NE2 3.95Å; F512-H521 HydrophobicContact CZ-CB 3.68Å; F512-H521 AromaticContact CZ-CD2 3.55Å; F512-H521 AromaticContact CZ-CG 3.4Å; F512-H521 VanDerWaalsContact CZ-CG 3.4Å; F512-H521 AromaticContact CZ-ND1 3.85Å; K517-H521 WeakPolarHBondContact O-CB 3.28Å; K517-H521 PolarHBondContact O-N 3.34Å; K517-H521 VanDerWaalsContact O-N 3.1Å; V518-H521 CarbonylContact O-C 3.57Å; V518-H521 WeakPolarHBondContact O-CA 3.43Å; V518-H521 WeakPolarHBondContact O-CB 3.29Å; V518-H521 PolarHBondContact O-N 3.37Å; W519-H521 PolarHBondContact O-N 2.97Å; H521-Q523 VanDerWaalsContact C-N 3.33Å; H521-Q523 PolarHBondContact O-N 3.05Å; H521-T524 PolarHBondContact O-N 3.23Å; H521-T524 VanDerWaalsContact O-N 3.16Å; H521-T524 PolarHBondContact O-OG1 3.49Å; H521-Q525 WeakPolarHBondContact ND1-CG 3.24Å; H521-Q525 WeakPolarHBondContact O-CB 3.09Å; H521-Q525 WeakPolarHBondContact O-CG 3.43Å; H521-Q525 PolarHBondContact O-N 3.16Å; H521-H526 AromaticContact NE2-NE2 3.86Å
522	C	73.8	Confident	68.3	Low	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-47.4	173.7	-62.5	0	0	0	0	111.2	C505 V518 W519 T524 H526 G527 P532	C505-C522 PolarHBondContact SG-SG 3.03Å; V518-C522 PolarHBondContact O-N 2.77Å; V518-C522 PolarHBondContact O-SG 2.82Å; V518-C522 VanDerWaalsContact O-SG 3.39Å; W519-C522 PolarHBondContact O-N 3.46Å; C522-T524 PolarHBondContact O-N 3.16Å; C522-H526 CarbonylContact O-C 3.55Å; C522-H526 WeakPolarHBondContact O-CA 3.38Å; C522-H526 WeakPolarHBondContact O-CB 3.4Å; C522-H526 PolarHBondContact O-N 3Å; C522-G527 PolarHBondContact O-N 3.16Å; C522-G527 VanDerWaalsContact O-N 3.12Å; C522-P532 HydrophobicContact CB-CG 4.34Å
523	Q	78.6	Confident	66.5	Low	56 Å²	56	67.2 Å²	67.2	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-27.9	178.3	-175.3	65.4	96.3	0	0	113.7	W519 H521 V528	W519-Q523 HydrophobicContact CZ2-CG 4.23Å; W519-Q523 WeakPolarHBondContact O-CB 3.44Å; W519-Q523 PolarHBondContact O-N 3.02Å; H521-Q523 VanDerWaalsContact C-N 3.33Å; H521-Q523 PolarHBondContact O-N 3.05Å; Q523-V528 WeakPolarHBondContact CA-O 3.47Å
524	T	69.1	Low	65.3	Low	60 Å²	60	68.9 Å²	68.9	37%	0.368	38%	0.38	S	S	.	.	H	α-helix	trans	-107.5	-24.5	-176.1	59.4	0	0	0	0	115.3	T520 H521 C522 R702	T520-T524 WeakPolarHBondContact O-CB 3.4Å; T520-T524 WeakPolarHBondContact O-CG2 3.24Å; T520-T524 PolarHBondContact O-N 3.35Å; T520-T524 PolarHBondContact O-OG1 3.06Å; H521-T524 PolarHBondContact O-N 3.23Å; H521-T524 VanDerWaalsContact O-N 3.16Å; H521-T524 PolarHBondContact O-OG1 3.49Å; C522-T524 PolarHBondContact O-N 3.16Å; T524-R702 PolarHBondContact O-NH1 2.65Å
525	Q	65.2	Low	63.6	Low	123 Å²	123	71.4 Å²	71.4	58%	0.575	40%	0.4	S	S	*	.	H	α-helix	trans	-109.2	-19	-177.8	-52.2	-53.5	-76.7	0	0	113.6	H521	H521-Q525 WeakPolarHBondContact ND1-CG 3.24Å; H521-Q525 WeakPolarHBondContact O-CB 3.09Å; H521-Q525 WeakPolarHBondContact O-CG 3.43Å; H521-Q525 PolarHBondContact O-N 3.16Å
526	H	71.9	Confident	61.6	Low	61 Å²	61	73.7 Å²	73.7	28%	0.282	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-0.4	-177.3	-58.8	-54.1	0	0	0	113.3	I507 C508 H521 C522 V528	I507-H526 HydrophobicContact CD1-CB 3.76Å; I507-H526 HydrophobicContact CG2-CB 4.31Å; C508-H526 PolarHBondContact SG-NE2 3.25Å; H521-H526 AromaticContact NE2-NE2 3.86Å; C522-H526 CarbonylContact O-C 3.55Å; C522-H526 WeakPolarHBondContact O-CA 3.38Å; C522-H526 WeakPolarHBondContact O-CB 3.4Å; C522-H526 PolarHBondContact O-N 3Å; H526-V528 HydrophobicContact CB-CG2 4.31Å; H526-V528 PolarHBondContact O-N 3.02Å
527	G	58.1	Low	59.5	Low	52 Å²	52	73.4 Å²	73.4	54%	0.536	44%	0.435	S	S	.	.			trans	70.4	-17.1	179.8	0	0	0	0	0	115.4	C522 V529	C522-G527 PolarHBondContact O-N 3.16Å; C522-G527 VanDerWaalsContact O-N 3.12Å; G527-V529 PolarHBondContact O-N 3.12Å
528	V	62.1	Low	57.2	Low	56 Å²	56	73.3 Å²	73.3	34%	0.339	45%	0.448	S	S	.	.			trans	-58.3	116.7	-177.5	-179.7	0	0	0	0	111.2	I507 Q523 H526 Q530	I507-V528 HydrophobicContact CD1-CG2 3.74Å; Q523-V528 WeakPolarHBondContact CA-O 3.47Å; H526-V528 HydrophobicContact CB-CG2 4.31Å; H526-V528 PolarHBondContact O-N 3.02Å; V528-Q530 HydrophobicContact CG1-CB 4.16Å
529	V	51.7	Low	55.4	Low	109 Å²	109	79 Å²	79	66%	0.661	49%	0.488	S	S	*	.			trans	-83.5	-17.6	178.8	-167.1	0	0	0	0	111.8	G527	G527-V529 PolarHBondContact O-N 3.12Å
530	Q	50.1	Low	53.7	Low	155 Å²	155	80.7 Å²	80.7	72%	0.724	51%	0.508	S	S	*	.	S	Bend	trans	-82.2	158.5	-179	-61.2	-171.9	6	0	0	112.6	V528	V528-Q530 HydrophobicContact CG1-CB 4.16Å
531	N	46.4	Very low	52.2	Low	70 Å²	70	85.5 Å²	85.5	37%	0.374	53%	0.531	S	S	.	.			trans	-80	124.5	176.8	-176	16.5	0	0	0	109.7	A533 S534	N531-A533 PolarHBondContact O-N 3.37Å; N531-A533 VanDerWaalsContact O-N 3.12Å; N531-S534 PolarHBondContact O-N 3.32Å
532	P	41.3	Very low	50.7	Low	28 Å²	28	87.9 Å²	87.9	18%	0.182	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20.5	-178	-23.3	33.8	0	0	0	114.6	D506 V518 C522 S534	D506-P532 VanDerWaalsContact OD2-CB 3.25Å; D506-P532 WeakPolarHBondContact OD2-CB 2.93Å; V518-P532 HydrophobicContact CG1-CG 4.25Å; C522-P532 HydrophobicContact CB-CG 4.34Å; P532-S534 PolarHBondContact O-N 2.72Å
533	A	40.4	Very low	49.3	Very low	68 Å²	68	95.8 Å²	95.8	56%	0.562	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-73.3	21.1	179.8	0	0	0	0	0	115.1	N531	N531-A533 PolarHBondContact O-N 3.37Å; N531-A533 VanDerWaalsContact O-N 3.12Å
534	S	41	Very low	47.7	Very low	89 Å²	89	102.3 Å²	102.3	62%	0.622	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-113.6	6.4	-177.8	-63.3	0	0	0	0	113.9	N531 P532	N531-S534 PolarHBondContact O-N 3.32Å; P532-S534 PolarHBondContact O-N 2.72Å
535	S	38.4	Very low	46.4	Very low	118 Å²	118	105.1 Å²	105.1	83%	0.825	62%	0.616	S	S	*	*			trans	-100.8	43.7	-176.5	-61.9	0	0	0	0	114.1
536	S	31.9	Very low	45.5	Very low	105 Å²	105	104.3 Å²	104.3	73%	0.734	61%	0.612	S	S	*	*	S	Bend	trans	-144.7	136.8	162	53.8	0	0	0	0	109.9	S538	S536-S538 PolarHBondContact O-N 2.92Å
537	S	36.7	Very low	44.6	Very low	130 Å²	130	107.9 Å²	107.9	91%	0.909	63%	0.627	S	S	*	*	S	Bend	trans	-63.8	106.6	-160.4	50.4	0	0	0	0	116.1
538	S	29.5	Very low	44.3	Very low	105 Å²	105	112 Å²	112	73%	0.734	63%	0.63	S	S	*	*			trans	-160.5	122.4	153.7	-179.2	0	0	0	0	109.8	S536	S536-S538 PolarHBondContact O-N 2.92Å
539	S	41.8	Very low	43.7	Very low	123 Å²	123	113.4 Å²	113.4	86%	0.86	64%	0.635	S	S	*	*			trans	-118.8	13.4	-165.7	54.5	0	0	0	0	115.5
540	V	44.9	Very low	44	Very low	122 Å²	122	112.7 Å²	112.7	74%	0.739	63%	0.627	S	S	*	*	S	Bend	trans	-113.9	-20	-168	-177.8	0	0	0	0	114.6
541	L	45.4	Very low	44.2	Very low	146 Å²	146	108.6 Å²	108.6	76%	0.764	61%	0.61	S	S	*	*	S	Bend	trans	-128.4	65.9	-168.9	-66.9	179.4	0	0	0	115.2
542	D	46.1	Very low	45.2	Very low	70 Å²	70	109.9 Å²	109.9	37%	0.374	62%	0.616	S	S	.	*			trans	-139.1	-7.9	169.5	-155.3	49.2	0	0	0	116.9	K544 F545 Q546	D542-K544 PolarHBondContact O-N 3.21Å; D542-K544 VanDerWaalsContact O-N 3.08Å; D542-F545 PolarHBondContact O-N 2.67Å; D542-F545 VanDerWaalsContact OD1-CB 3.24Å; D542-F545 WeakPolarHBondContact OD1-CB 3.33Å; D542-F545 WeakPolarHBondContact OD1-CD1 3.41Å; D542-Q546 PolarHBondContact O-N 3.33Å; D542-Q546 WeakPolarHBondContact OD2-CG 3.06Å; D542-Q546 PolarHBondContact OD2-NE2 2.82Å
543	E	45.6	Very low	46	Very low	166 Å²	166	112.7 Å²	112.7	78%	0.776	63%	0.632	S	S	*	*	H	α-helix	trans	-50.4	-42.8	179.7	-76.9	-153.6	134.7	0	0	113.2	F545 K547	E543-F545 VanDerWaalsContact C-N 3.29Å; E543-F545 PolarHBondContact O-N 3.19Å; E543-K547 WeakPolarHBondContact O-CB 3.35Å; E543-K547 PolarHBondContact O-N 3.27Å
544	K	43.4	Very low	46.8	Very low	192 Å²	192	116.3 Å²	116.3	84%	0.835	63%	0.631	S	S	*	*	H	α-helix	trans	-65.9	-30.2	-178.8	-69.8	175.4	-178.3	168.8	0	112.4	D542 K548	D542-K544 PolarHBondContact O-N 3.21Å; D542-K544 VanDerWaalsContact O-N 3.08Å; K544-K548 VanDerWaalsContact O-CB 3.28Å; K544-K548 WeakPolarHBondContact O-CB 3.37Å; K544-K548 PolarHBondContact O-N 3.11Å
545	F	43.3	Very low	47.9	Very low	119 Å²	119	116.9 Å²	116.9	52%	0.522	62%	0.624	S	S	.	*	H	α-helix	trans	-83.9	-42.5	178.2	-173.9	-114.7	0	0	0	111.3	D542 E543 K547 K548 L549	D542-F545 PolarHBondContact O-N 2.67Å; D542-F545 VanDerWaalsContact OD1-CB 3.24Å; D542-F545 WeakPolarHBondContact OD1-CB 3.33Å; D542-F545 WeakPolarHBondContact OD1-CD1 3.41Å; E543-F545 VanDerWaalsContact C-N 3.29Å; E543-F545 PolarHBondContact O-N 3.19Å; F545-K547 VanDerWaalsContact C-N 3.35Å; F545-K547 PolarHBondContact O-N 2.91Å; F545-K548 CarbonylContact O-C 3.57Å; F545-K548 PolarHBondContact O-N 3.36Å; F545-K548 VanDerWaalsContact O-N 3.13Å; F545-L549 HydrophobicContact CD1-CD1 3.88Å; F545-L549 HydrophobicContact CE1-CD1 3.58Å; F545-L549 HydrophobicContact CE1-CG 4.3Å; F545-L549 HydrophobicContact CZ-CD1 4.06Å; F545-L549 HydrophobicContact CZ-CG 4.38Å; F545-L549 PolarHBondContact O-N 2.9Å
546	Q	45.2	Very low	49.1	Very low	106 Å²	106	119.6 Å²	119.6	50%	0.495	62%	0.616	S	S	.	*	H	α-helix	trans	-59.9	-45	174	-63	-178.2	11.9	0	0	111.4	D542 K548 L549 I550	D542-Q546 PolarHBondContact O-N 3.33Å; D542-Q546 WeakPolarHBondContact OD2-CG 3.06Å; D542-Q546 PolarHBondContact OD2-NE2 2.82Å; Q546-K548 VanDerWaalsContact C-N 3.32Å; Q546-K548 PolarHBondContact O-N 2.99Å; Q546-L549 PolarHBondContact O-N 3.01Å; Q546-I550 WeakPolarHBondContact O-CB 3.44Å; Q546-I550 VanDerWaalsContact O-CG1 3.26Å; Q546-I550 WeakPolarHBondContact O-CG1 3.37Å; Q546-I550 PolarHBondContact O-N 3.45Å
547	K	54	Low	50.8	Low	136 Å²	136	118.8 Å²	118.8	59%	0.591	60%	0.601	S	S	*	*	H	α-helix	trans	-59.6	-42	174.2	-161.8	167.3	-166.5	164.2	0	111.6	E543 F545 I550 D551	E543-K547 WeakPolarHBondContact O-CB 3.35Å; E543-K547 PolarHBondContact O-N 3.27Å; F545-K547 VanDerWaalsContact C-N 3.35Å; F545-K547 PolarHBondContact O-N 2.91Å; K547-I550 PolarHBondContact O-N 3.33Å; K547-D551 WeakPolarHBondContact O-CB 3.3Å; K547-D551 PolarHBondContact O-N 3.01Å
548	K	51.8	Low	52.4	Low	140 Å²	140	117.1 Å²	117.1	61%	0.609	58%	0.581	S	S	*	*	H	α-helix	trans	-69.5	-33.4	177	-160.2	169.7	-168.2	172.4	0	113.2	K544 F545 Q546 D551 I552	K544-K548 VanDerWaalsContact O-CB 3.28Å; K544-K548 WeakPolarHBondContact O-CB 3.37Å; K544-K548 PolarHBondContact O-N 3.11Å; F545-K548 CarbonylContact O-C 3.57Å; F545-K548 PolarHBondContact O-N 3.36Å; F545-K548 VanDerWaalsContact O-N 3.13Å; Q546-K548 VanDerWaalsContact C-N 3.32Å; Q546-K548 PolarHBondContact O-N 2.99Å; K548-D551 PolarHBondContact O-N 3.17Å; K548-I552 WeakPolarHBondContact O-CD1 3.44Å; K548-I552 VanDerWaalsContact O-CG1 3.23Å; K548-I552 WeakPolarHBondContact O-CG1 3.44Å; K548-I552 PolarHBondContact O-N 3.02Å
549	L	48.5	Very low	54.2	Low	84 Å²	84	117.2 Å²	117.2	44%	0.44	57%	0.568	S	S	.	*	H	α-helix	trans	-69.9	-43.8	171.4	-78	172.7	0	0	0	111.6	F545 Q546 D551 I552 V553	F545-L549 HydrophobicContact CD1-CD1 3.88Å; F545-L549 HydrophobicContact CE1-CD1 3.58Å; F545-L549 HydrophobicContact CE1-CG 4.3Å; F545-L549 HydrophobicContact CZ-CD1 4.06Å; F545-L549 HydrophobicContact CZ-CG 4.38Å; F545-L549 PolarHBondContact O-N 2.9Å; Q546-L549 PolarHBondContact O-N 3.01Å; L549-D551 VanDerWaalsContact C-N 3.27Å; L549-D551 PolarHBondContact O-N 3.48Å; L549-I552 PolarHBondContact O-N 2.94Å; L549-V553 WeakPolarHBondContact O-CG2 3.35Å; L549-V553 PolarHBondContact O-N 3.38Å
550	I	58.6	Low	55.2	Low	95 Å²	95	116.2 Å²	116.2	49%	0.487	55%	0.548	S	S	.	.	H	α-helix	trans	-58.2	-42.7	172	-69.9	163.6	0	0	0	109.7	Q546 K547 V553 R554	Q546-I550 WeakPolarHBondContact O-CB 3.44Å; Q546-I550 VanDerWaalsContact O-CG1 3.26Å; Q546-I550 WeakPolarHBondContact O-CG1 3.37Å; Q546-I550 PolarHBondContact O-N 3.45Å; K547-I550 PolarHBondContact O-N 3.33Å; I550-V553 PolarHBondContact O-N 3.39Å; I550-R554 HydrophobicContact CG2-CG 4.24Å; I550-R554 WeakPolarHBondContact O-CB 3.39Å; I550-R554 VanDerWaalsContact O-CG 3.26Å; I550-R554 WeakPolarHBondContact O-CG 3.3Å; I550-R554 PolarHBondContact O-N 3.38Å
551	D	55	Low	55.9	Low	68 Å²	68	113 Å²	113	36%	0.364	53%	0.534	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.6	-72.1	-27.1	0	0	0	112.8	K547 K548 L549 V553 R554 E555	K547-D551 WeakPolarHBondContact O-CB 3.3Å; K547-D551 PolarHBondContact O-N 3.01Å; K548-D551 PolarHBondContact O-N 3.17Å; L549-D551 VanDerWaalsContact C-N 3.27Å; L549-D551 PolarHBondContact O-N 3.48Å; D551-V553 VanDerWaalsContact C-N 3.29Å; D551-V553 PolarHBondContact O-N 3.1Å; D551-R554 PolarHBondContact O-N 2.81Å; D551-R554 IonicContact OD1-CZ 3.72Å; D551-R554 IonicContact OD1-NE 2.89Å; D551-R554 PolarHBondContact OD1-NE 2.93Å; D551-R554 IonicContact OD1-NH2 3.75Å; D551-R554 PolarHBondContact OD1-NH2 3.01Å; D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 PolarHBondContact O-N 3.4Å
552	I	66.3	Low	56.5	Low	98 Å²	98	110.5 Å²	110.5	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-37.9	176	-71.2	162.4	0	0	0	111.4	K548 L549 R556	K548-I552 WeakPolarHBondContact O-CD1 3.44Å; K548-I552 VanDerWaalsContact O-CG1 3.23Å; K548-I552 WeakPolarHBondContact O-CG1 3.44Å; K548-I552 PolarHBondContact O-N 3.02Å; L549-I552 PolarHBondContact O-N 2.94Å; I552-R556 VanDerWaalsContact O-CB 3.27Å; I552-R556 WeakPolarHBondContact O-CB 3.44Å; I552-R556 PolarHBondContact O-N 2.87Å; I552-R556 VanDerWaalsContact O-N 3.12Å
553	V	58.9	Low	57.2	Low	86 Å²	86	112.7 Å²	112.7	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-70.9	-46.9	175.3	173.2	0	0	0	0	111.1	L549 I550 D551 E555 R556 E557	L549-V553 WeakPolarHBondContact O-CG2 3.35Å; L549-V553 PolarHBondContact O-N 3.38Å; I550-V553 PolarHBondContact O-N 3.39Å; D551-V553 VanDerWaalsContact C-N 3.29Å; D551-V553 PolarHBondContact O-N 3.1Å; V553-E555 PolarHBondContact O-N 3.32Å; V553-R556 WeakPolarHBondContact O-CB 3.48Å; V553-R556 PolarHBondContact O-N 2.97Å; V553-E557 PolarHBondContact O-N 3.36Å
554	R	56.2	Low	57.8	Low	145 Å²	145	114.4 Å²	114.4	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-58.3	-48	176.2	-75.6	-165.2	-63.1	-177.4	0	111.3	I550 D551 R556 E557 I558	I550-R554 HydrophobicContact CG2-CG 4.24Å; I550-R554 WeakPolarHBondContact O-CB 3.39Å; I550-R554 VanDerWaalsContact O-CG 3.26Å; I550-R554 WeakPolarHBondContact O-CG 3.3Å; I550-R554 PolarHBondContact O-N 3.38Å; D551-R554 PolarHBondContact O-N 2.81Å; D551-R554 IonicContact OD1-CZ 3.72Å; D551-R554 IonicContact OD1-NE 2.89Å; D551-R554 PolarHBondContact OD1-NE 2.93Å; D551-R554 IonicContact OD1-NH2 3.75Å; D551-R554 PolarHBondContact OD1-NH2 3.01Å; R554-R556 VanDerWaalsContact C-N 3.28Å; R554-R556 PolarHBondContact O-N 2.98Å; R554-E557 PolarHBondContact O-N 3.09Å; R554-I558 HydrophobicContact CB-CD1 4.5Å; R554-I558 WeakPolarHBondContact O-CB 3.25Å; R554-I558 WeakPolarHBondContact O-CD1 3.43Å; R554-I558 WeakPolarHBondContact O-CG1 3.4Å; R554-I558 PolarHBondContact O-N 3.18Å
555	E	65.1	Low	58	Low	101 Å²	101	112.8 Å²	112.8	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-35.3	179.8	-157.6	-147.9	-160.2	0	0	111.5	D551 V553 K559	D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 PolarHBondContact O-N 3.4Å; V553-E555 PolarHBondContact O-N 3.32Å; E555-K559 HydrophobicContact CG-CD 4.31Å; E555-K559 VanDerWaalsContact O-CB 3.3Å; E555-K559 WeakPolarHBondContact O-CB 3.35Å; E555-K559 WeakPolarHBondContact O-CG 3.41Å; E555-K559 PolarHBondContact O-N 3.29Å; E555-K559 VanDerWaalsContact OE1-CE 3.27Å; E555-K559 WeakPolarHBondContact OE1-CE 3.34Å; E555-K559 IonicContact OE1-NZ 3.72Å; E555-K559 PolarHBondContact OE1-NZ 2.95Å; E555-K559 IonicContact OE2-NZ 3.09Å; E555-K559 PolarHBondContact OE2-NZ 2.99Å
556	R	62.4	Low	58.4	Low	174 Å²	174	113 Å²	113	66%	0.657	53%	0.531	S	S	*	.	H	α-helix	trans	-68.2	-42.5	174.8	-164.3	177.4	-147.2	172.2	8	112.7	I552 V553 R554 K560	I552-R556 VanDerWaalsContact O-CB 3.27Å; I552-R556 WeakPolarHBondContact O-CB 3.44Å; I552-R556 PolarHBondContact O-N 2.87Å; I552-R556 VanDerWaalsContact O-N 3.12Å; V553-R556 WeakPolarHBondContact O-CB 3.48Å; V553-R556 PolarHBondContact O-N 2.97Å; R554-R556 VanDerWaalsContact C-N 3.28Å; R554-R556 PolarHBondContact O-N 2.98Å; R556-K560 WeakPolarHBondContact O-CG 3.17Å; R556-K560 PolarHBondContact O-N 2.94Å
557	E	68	Low	58.4	Low	88 Å²	88	115.8 Å²	115.8	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-73	-33.8	175.6	-60.2	-42	115.5	0	0	112.3	V553 R554 K560 A561	V553-E557 PolarHBondContact O-N 3.36Å; R554-E557 PolarHBondContact O-N 3.09Å; E557-K560 WeakPolarHBondContact O-CB 3.29Å; E557-K560 PolarHBondContact O-N 2.72Å; E557-K560 WeakPolarHBondContact OE1-CD 3.47Å; E557-K560 WeakPolarHBondContact OE1-CE 3.12Å; E557-K560 IonicContact OE1-NZ 2.65Å; E557-K560 PolarHBondContact OE1-NZ 2.8Å; E557-K560 WeakPolarHBondContact OE2-CD 3.33Å; E557-K560 IonicContact OE2-NZ 2.69Å; E557-K560 PolarHBondContact OE2-NZ 3.05Å; E557-A561 VanDerWaalsContact O-CB 3.32Å; E557-A561 WeakPolarHBondContact O-CB 3.28Å; E557-A561 PolarHBondContact O-N 3.17Å
558	I	70.6	Confident	57.9	Low	96 Å²	96	118.8 Å²	118.8	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-47	170.7	-70.8	163.5	0	0	0	110.1	R554 K560 A561 L562	R554-I558 HydrophobicContact CB-CD1 4.5Å; R554-I558 WeakPolarHBondContact O-CB 3.25Å; R554-I558 WeakPolarHBondContact O-CD1 3.43Å; R554-I558 WeakPolarHBondContact O-CG1 3.4Å; R554-I558 PolarHBondContact O-N 3.18Å; I558-K560 VanDerWaalsContact C-N 3.33Å; I558-K560 PolarHBondContact O-N 3.22Å; I558-A561 PolarHBondContact O-N 3.06Å; I558-A561 VanDerWaalsContact O-N 3.13Å; I558-L562 HydrophobicContact CG2-CD1 3.84Å; I558-L562 HydrophobicContact CG2-CG 4.28Å; I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 VanDerWaalsContact O-CG 3.32Å; I558-L562 WeakPolarHBondContact O-CG 3.16Å; I558-L562 PolarHBondContact O-N 3.19Å
559	K	66.9	Low	57.3	Low	106 Å²	106	119.3 Å²	119.3	46%	0.461	56%	0.558	S	S	.	*	H	α-helix	trans	-60.9	-38.9	175.5	-75.5	168.2	-178.7	173	0	112	E555 L563	E555-K559 HydrophobicContact CG-CD 4.31Å; E555-K559 VanDerWaalsContact O-CB 3.3Å; E555-K559 WeakPolarHBondContact O-CB 3.35Å; E555-K559 WeakPolarHBondContact O-CG 3.41Å; E555-K559 PolarHBondContact O-N 3.29Å; E555-K559 VanDerWaalsContact OE1-CE 3.27Å; E555-K559 WeakPolarHBondContact OE1-CE 3.34Å; E555-K559 IonicContact OE1-NZ 3.72Å; E555-K559 PolarHBondContact OE1-NZ 2.95Å; E555-K559 IonicContact OE2-NZ 3.09Å; E555-K559 PolarHBondContact OE2-NZ 2.99Å; K559-L563 WeakPolarHBondContact O-CB 3.48Å; K559-L563 WeakPolarHBondContact O-CD1 3.49Å; K559-L563 VanDerWaalsContact O-CG 3.25Å; K559-L563 WeakPolarHBondContact O-CG 3.41Å; K559-L563 PolarHBondContact O-N 3.1Å
560	K	63.6	Low	57.2	Low	102 Å²	102	123.8 Å²	123.8	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-63.2	-44.9	170.3	-76.7	162	162	-179.3	0	112.7	R556 E557 I558 L563 W564	R556-K560 WeakPolarHBondContact O-CG 3.17Å; R556-K560 PolarHBondContact O-N 2.94Å; E557-K560 WeakPolarHBondContact O-CB 3.29Å; E557-K560 PolarHBondContact O-N 2.72Å; E557-K560 WeakPolarHBondContact OE1-CD 3.47Å; E557-K560 WeakPolarHBondContact OE1-CE 3.12Å; E557-K560 IonicContact OE1-NZ 2.65Å; E557-K560 PolarHBondContact OE1-NZ 2.8Å; E557-K560 WeakPolarHBondContact OE2-CD 3.33Å; E557-K560 IonicContact OE2-NZ 2.69Å; E557-K560 PolarHBondContact OE2-NZ 3.05Å; I558-K560 VanDerWaalsContact C-N 3.33Å; I558-K560 PolarHBondContact O-N 3.22Å; K560-L563 PolarHBondContact O-N 2.99Å; K560-W564 PolarHBondContact O-N 2.82Å
561	A	59.3	Low	56.6	Low	54 Å²	54	127.5 Å²	127.5	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-66.5	-37.9	-179.7	0	0	0	0	0	112.2	E557 I558 W564 K565	E557-A561 VanDerWaalsContact O-CB 3.32Å; E557-A561 WeakPolarHBondContact O-CB 3.28Å; E557-A561 PolarHBondContact O-N 3.17Å; I558-A561 PolarHBondContact O-N 3.06Å; I558-A561 VanDerWaalsContact O-N 3.13Å; A561-W564 PolarHBondContact O-N 2.81Å; A561-K565 PolarHBondContact O-N 3.21Å
562	L	58.3	Low	55.9	Low	94 Å²	94	127 Å²	127	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-66.6	-42.8	172.6	-70	172.1	0	0	0	111.4	I558 W564 K565 L566	I558-L562 HydrophobicContact CG2-CD1 3.84Å; I558-L562 HydrophobicContact CG2-CG 4.28Å; I558-L562 WeakPolarHBondContact O-CB 3.42Å; I558-L562 VanDerWaalsContact O-CG 3.32Å; I558-L562 WeakPolarHBondContact O-CG 3.16Å; I558-L562 PolarHBondContact O-N 3.19Å; L562-W564 VanDerWaalsContact C-N 3.3Å; L562-W564 PolarHBondContact O-N 2.86Å; L562-K565 PolarHBondContact O-N 3.38Å; L562-L566 WeakPolarHBondContact O-CB 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.42Å; L562-L566 PolarHBondContact O-N 3.22Å
563	L	60.8	Low	54.6	Low	117 Å²	117	131.2 Å²	131.2	61%	0.613	62%	0.623	S	S	*	*	H	α-helix	trans	-61.6	-36	171.6	-74.9	167	0	0	0	112.3	K559 K560 K567	K559-L563 WeakPolarHBondContact O-CB 3.48Å; K559-L563 WeakPolarHBondContact O-CD1 3.49Å; K559-L563 VanDerWaalsContact O-CG 3.25Å; K559-L563 WeakPolarHBondContact O-CG 3.41Å; K559-L563 PolarHBondContact O-N 3.1Å; K560-L563 PolarHBondContact O-N 2.99Å; L563-K567 VanDerWaalsContact O-CB 3.32Å; L563-K567 WeakPolarHBondContact O-CB 3.46Å; L563-K567 PolarHBondContact O-N 2.91Å
564	W	57.5	Low	53.5	Low	201 Å²	201	135.9 Å²	135.9	76%	0.761	64%	0.639	S	S	*	*	H	α-helix	trans	-68.3	-43.2	172.6	-93.7	58.1	0	0	0	112.7	K560 A561 L562 K567 R568	K560-W564 PolarHBondContact O-N 2.82Å; A561-W564 PolarHBondContact O-N 2.81Å; L562-W564 VanDerWaalsContact C-N 3.3Å; L562-W564 PolarHBondContact O-N 2.86Å; W564-K567 PolarHBondContact O-N 3.22Å; W564-R568 PolarHBondContact O-N 3.49Å
565	K	48	Very low	52.5	Low	159 Å²	159	133.9 Å²	133.9	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-61.9	-44.8	173.9	-78.3	-172.7	173.8	-174.8	0	111.6	A561 L562 K567 R568 N569	A561-K565 PolarHBondContact O-N 3.21Å; L562-K565 PolarHBondContact O-N 3.38Å; K565-K567 VanDerWaalsContact C-N 3.26Å; K565-K567 PolarHBondContact O-N 3.32Å; K565-R568 PolarHBondContact O-N 2.91Å; K565-N569 PolarHBondContact O-N 3.39Å
566	L	50.8	Low	51.2	Low	123 Å²	123	135.5 Å²	135.5	64%	0.644	67%	0.666	S	S	*	*	H	α-helix	trans	-62.7	-28.7	174.2	-77.8	164.8	0	0	0	113.3	L562	L562-L566 WeakPolarHBondContact O-CB 3.25Å; L562-L566 WeakPolarHBondContact O-CG 3.42Å; L562-L566 PolarHBondContact O-N 3.22Å
567	K	46.8	Very low	50	Low	164 Å²	164	132.4 Å²	132.4	71%	0.713	67%	0.671	S	S	*	*	H	α-helix	trans	-79.8	-32.7	174.4	-167.3	176.6	-178.9	-174.8	0	112.7	L563 W564 K565	L563-K567 VanDerWaalsContact O-CB 3.32Å; L563-K567 WeakPolarHBondContact O-CB 3.46Å; L563-K567 PolarHBondContact O-N 2.91Å; W564-K567 PolarHBondContact O-N 3.22Å; K565-K567 VanDerWaalsContact C-N 3.26Å; K565-K567 PolarHBondContact O-N 3.32Å
568	R	42.7	Very low	48.4	Very low	199 Å²	199	136.5 Å²	136.5	75%	0.751	70%	0.695	S	S	*	*	H	α-helix	trans	-76.8	-33.9	177.9	-159.6	170.2	-173.4	135.8	-0.1	112.3	W564 K565 K570 Q571	W564-R568 PolarHBondContact O-N 3.49Å; K565-R568 PolarHBondContact O-N 2.91Å; R568-K570 PolarHBondContact O-N 3.3Å; R568-Q571 PolarHBondContact O-N 3.19Å
569	N	39.8	Very low	46.9	Very low	151 Å²	151	136 Å²	136	81%	0.807	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	34.9	175.6	-151.9	20.1	0	0	0	113.8	K565	K565-N569 PolarHBondContact O-N 3.39Å
570	K	46.5	Very low	45.5	Very low	179 Å²	179	141 Å²	141	78%	0.778	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	11.4	175.5	-82	-167.1	170.9	-171.7	0	112.9	R568	R568-K570 PolarHBondContact O-N 3.3Å
571	Q	44.1	Very low	44.4	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	75%	0.75	S	S	*	*	S	Bend	trans	-118.5	30.3	-177.6	-65.9	-174.5	-40.3	0	0	112.4	R568	R568-Q571 PolarHBondContact O-N 3.19Å
572	G	42	Very low	43.3	Very low	58 Å²	58	155.3 Å²	155.3	60%	0.598	77%	0.773	S	S	*	*	S	Bend	trans	-136.6	149.2	167.4	0	0	0	0	0	109.7
573	L	39.2	Very low	42.4	Very low	185 Å²	185	156.7 Å²	156.7	97%	0.969	79%	0.79	S	S	*	*			trans	68	113.2	-175.3	-61.4	147.9	0	0	0	115.4
574	Q	35.9	Very low	41.7	Very low	184 Å²	184	161.3 Å²	161.3	86%	0.86	80%	0.799	S	S	*	*			trans	-104.5	137.1	153.1	-69.8	-161.5	39	0	0	109.2
575	S	34.3	Very low	41.1	Very low	103 Å²	103	156.3 Å²	156.3	72%	0.72	80%	0.795	S	S	*	*			trans	37.6	133.6	152.8	61.8	0	0	0	0	120.4
576	P	37.5	Very low	41.6	Very low	135 Å²	135	151.5 Å²	151.5	88%	0.877	78%	0.781	S	S	*	*				-120.9	176.5	82.9	36.4	-34.4	0	0	0	114.2
577	S	36.7	Very low	42.7	Very low	109 Å²	109	148.7 Å²	148.7	76%	0.762	76%	0.764	S	S	*	*			trans	-103.7	137.1	-172.4	47.6	0	0	0	0	113
578	L	35.6	Very low	44.1	Very low	175 Å²	175	144.7 Å²	144.7	92%	0.916	75%	0.753	S	S	*	*				-173.9	156.9	124.7	-101.2	164.3	0	0	0	114.5
579	A	38.2	Very low	45.9	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	72%	0.718	S	S	*	*			trans	-38	129.6	-170.6	0	0	0	0	0	120.6
580	K	39.1	Very low	47.4	Very low	211 Å²	211	132.6 Å²	132.6	92%	0.917	71%	0.709	S	S	*	*				-148.4	100.1	121.3	-140	157.9	-170.6	166.4	0	111.8	R582	K580-R582 PolarHBondContact O-N 3.34Å
581	K	38.8	Very low	48.4	Very low	211 Å²	211	132.3 Å²	132.3	92%	0.917	70%	0.704	S	S	*	*			trans	-67.2	125.6	178.9	-75.9	178.1	177.2	173.3	0	110.3
582	R	37.1	Very low	50	Low	246 Å²	246	126.6 Å²	126.6	93%	0.928	68%	0.683	S	S	*	*			trans	-104.6	115.1	155.4	-127.1	176.5	-176.6	165.4	1.2	107.4	K580 R584	K580-R582 PolarHBondContact O-N 3.34Å; R582-R584 PolarHBondContact O-N 3.09Å; R582-R584 VanDerWaalsContact O-N 3.16Å
583	S	38.6	Very low	51.5	Low	122 Å²	122	126 Å²	126	85%	0.853	68%	0.677	S	S	*	*			trans	-66.3	110.3	-175.3	31.2	0	0	0	0	111.1
584	R	46.5	Very low	53.2	Low	215 Å²	215	123 Å²	123	81%	0.811	66%	0.656	S	S	*	*			trans	-73.7	129.8	156.1	-72.6	-179.4	171.6	166.9	-2.1	107.2	R582 S586	R582-R584 PolarHBondContact O-N 3.09Å; R582-R584 VanDerWaalsContact O-N 3.16Å; R584-S586 VanDerWaalsContact C-N 3.33Å; R584-S586 PolarHBondContact O-N 3.39Å
585	S	44.3	Very low	55.2	Low	95 Å²	95	118.7 Å²	118.7	66%	0.664	64%	0.641	S	S	*	*			trans	-70.9	85.8	178	59.1	0	0	0	0	110.4
586	S	60.4	Low	57.6	Low	59 Å²	59	115.5 Å²	115.5	41%	0.413	62%	0.615	S	S	.	*			trans	-73.8	133.9	172.5	-57.7	0	0	0	0	110.3	R584 V595	R584-S586 VanDerWaalsContact C-N 3.33Å; R584-S586 PolarHBondContact O-N 3.39Å; S586-V595 VanDerWaalsContact CB-CG1 3.46Å
587	F	73.3	Confident	59.6	Low	63 Å²	63	113.1 Å²	113.1	28%	0.276	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.4	110.7	176.8	-62.1	-87.3	0	0	0	109.3	F596 Q599 Y602	F587-F596 PolarHBondContact N-O 3.27Å; F587-F596 PolarHBondContact O-N 3.06Å; F587-Q599 HydrophobicContact CD1-CG 4.4Å; F587-Q599 HydrophobicContact CD2-CB 4.23Å; F587-Q599 HydrophobicContact CE1-CB 4.39Å; F587-Q599 HydrophobicContact CE1-CG 4.03Å; F587-Q599 HydrophobicContact CE2-CB 3.8Å; F587-Q599 HydrophobicContact CE2-CG 4.34Å; F587-Q599 HydrophobicContact CZ-CB 3.89Å; F587-Q599 HydrophobicContact CZ-CG 4Å; F587-Y602 HydrophobicContact CB-CD1 3.56Å; F587-Y602 HydrophobicContact CB-CD2 4.33Å; F587-Y602 HydrophobicContact CB-CE1 4.19Å; F587-Y602 HydrophobicContact CB-CG 3.63Å; F587-Y602 AromaticContact CD1-CD1 3.98Å; F587-Y602 HydrophobicContact CD1-CD1 3.98Å; F587-Y602 HydrophobicContact CD1-CE1 4.38Å; F587-Y602 AromaticContact CG-CD1 4Å; F587-Y602 HydrophobicContact CG-CD1 4Å; F587-Y602 HydrophobicContact CG-CG 4.41Å
588	V	75.7	Confident	61.4	Low	81 Å²	81	113.8 Å²	113.8	49%	0.491	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.9	135.2	178.1	-170.6	0	0	0	0	109.3	V595	V588-V595 HydrophobicContact CG1-CG2 4.38Å; V588-V595 HydrophobicContact CG2-CG1 4.4Å; V588-V595 HydrophobicContact CG2-CG2 4.18Å
589	C	81.4	Confident	63.2	Low	0 Å²	0	109.6 Å²	109.6	0%	0	56%	0.562	C	S	.	*			trans	-83.2	121.6	174.3	-170.1	0	0	0	0	111.4	Y591 C592 G593 K594 F596 Y602 H605 H609	C589-Y591 PolarHBondContact O-N 2.97Å; C589-C592 PolarHBondContact O-N 3.32Å; C589-G593 WeakPolarHBondContact O-CA 3.35Å; C589-G593 PolarHBondContact O-N 2.88Å; C589-K594 PolarHBondContact N-O 3.16Å; C589-F596 HydrophobicContact CB-CE2 4.43Å; C589-Y602 HydrophobicContact CB-CD2 4.41Å; C589-Y602 HydrophobicContact CB-CE2 3.88Å; C589-H605 PolarHBondContact SG-NE2 2.82Å; C589-H609 PolarHBondContact SG-NE2 2.8Å
590	P	70.2	Confident	65.1	Low	95 Å²	95	109.5 Å²	109.5	62%	0.617	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-43.2	-177.2	23.3	-32.2	0	0	0	111.9	C592	P590-C592 VanDerWaalsContact C-N 3.27Å; P590-C592 PolarHBondContact O-N 2.92Å; P590-C592 VanDerWaalsContact O-N 3.17Å
591	Y	67.8	Low	66.9	Low	174 Å²	174	104 Å²	104	68%	0.682	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-14.9	-175.8	-55.2	-74.6	0	0	0	116	C589 L606 H609	C589-Y591 PolarHBondContact O-N 2.97Å; Y591-L606 HydrophobicContact CD2-CD2 4.3Å; Y591-L606 HydrophobicContact CE2-CD2 4.35Å; Y591-H609 HydrophobicContact CD2-CB 4.48Å; Y591-H609 AromaticContact CD2-CD2 3.96Å
592	C	77.8	Confident	69	Low	53 Å²	53	95.9 Å²	95.9	36%	0.358	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.4	20.4	179.5	78.7	0	0	0	0	115.7	C589 P590 K594 H605 H609	C589-C592 PolarHBondContact O-N 3.32Å; P590-C592 VanDerWaalsContact C-N 3.27Å; P590-C592 PolarHBondContact O-N 2.92Å; P590-C592 VanDerWaalsContact O-N 3.17Å; C592-K594 PolarHBondContact O-N 3.33Å; C592-K594 VanDerWaalsContact SG-CD 3.58Å; C592-H605 PolarHBondContact SG-NE2 3.37Å; C592-H609 VanDerWaalsContact SG-CE1 3.6Å
593	G	73.1	Confident	70.9	Confident	46 Å²	46	91 Å²	91	47%	0.474	48%	0.48	S	S	.	.			trans	63.9	-1.7	175.4	0	0	0	0	0	117.5	C589 V595	C589-G593 WeakPolarHBondContact O-CA 3.35Å; C589-G593 PolarHBondContact O-N 2.88Å; G593-V595 WeakPolarHBondContact O-CG2 3.11Å; G593-V595 PolarHBondContact O-N 3.34Å
594	K	74.7	Confident	72.7	Confident	122 Å²	122	91.5 Å²	91.5	53%	0.53	47%	0.469	S	S	.	.			trans	-67.3	129.9	-173.6	-73.7	174.8	-171.3	166.1	0	111.1	C589 C592 F596	C589-K594 PolarHBondContact N-O 3.16Å; C592-K594 PolarHBondContact O-N 3.33Å; C592-K594 VanDerWaalsContact SG-CD 3.58Å; K594-F596 HydrophobicContact CB-CE2 3.56Å; K594-F596 HydrophobicContact CB-CZ 3.85Å; K594-F596 WeakPolarHBondContact O-CD2 3.31Å; K594-F596 VanDerWaalsContact O-CE2 3.31Å; K594-F596 WeakPolarHBondContact O-CE2 3.3Å
595	V	79.3	Confident	74.4	Confident	92 Å²	92	82.2 Å²	82.2	56%	0.558	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.2	-170	-173.9	0	0	0	0	110.6	S586 V588 G593	S586-V595 VanDerWaalsContact CB-CG1 3.46Å; V588-V595 HydrophobicContact CG1-CG2 4.38Å; V588-V595 HydrophobicContact CG2-CG1 4.4Å; V588-V595 HydrophobicContact CG2-CG2 4.18Å; G593-V595 WeakPolarHBondContact O-CG2 3.11Å; G593-V595 PolarHBondContact O-N 3.34Å
596	F	83.7	Confident	75.6	Confident	37 Å²	37	80.5 Å²	80.5	16%	0.162	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	-175.8	-62.4	-87.8	0	0	0	112	F587 C589 K594 F598 Q601 Y602 H605	F587-F596 PolarHBondContact N-O 3.27Å; F587-F596 PolarHBondContact O-N 3.06Å; C589-F596 HydrophobicContact CB-CE2 4.43Å; K594-F596 HydrophobicContact CB-CE2 3.56Å; K594-F596 HydrophobicContact CB-CZ 3.85Å; K594-F596 WeakPolarHBondContact O-CD2 3.31Å; K594-F596 VanDerWaalsContact O-CE2 3.31Å; K594-F596 WeakPolarHBondContact O-CE2 3.3Å; F596-F598 VanDerWaalsContact C-N 3.31Å; F596-Q601 HydrophobicContact CD1-CB 3.78Å; F596-Q601 HydrophobicContact CG-CB 4.49Å; F596-Y602 HydrophobicContact CD2-CD2 4.06Å; F596-H605 HydrophobicContact CE1-CB 4.06Å; F596-H605 HydrophobicContact CE2-CB 4.01Å; F596-H605 AromaticContact CE2-CD2 3.19Å; F596-H605 WeakPolarHBondContact CE2-CD2 3.21Å; F596-H605 AromaticContact CE2-CG 3.73Å; F596-H605 HydrophobicContact CZ-CB 3.55Å; F596-H605 AromaticContact CZ-CD2 3.34Å; F596-H605 WeakPolarHBondContact CZ-CD2 3.36Å; F596-H605 AromaticContact CZ-CG 3.39Å
597	V	80.1	Confident	76.4	Confident	84 Å²	84	86.9 Å²	86.9	51%	0.509	43%	0.433	S	S	.	.	S	Bend	trans	-77.5	-19.5	177.9	-175.4	0	0	0	0	111.8
598	F	73.5	Confident	76	Confident	123 Å²	123	88.5 Å²	88.5	54%	0.539	45%	0.448	S	S	.	.	S	Bend	trans	-128.2	132.8	-177.2	-59.7	-76.2	0	0	0	112.3	F596 S600 Q601 Y602	F596-F598 VanDerWaalsContact C-N 3.31Å; F598-S600 PolarHBondContact O-N 3.19Å; F598-Q601 HydrophobicContact CB-CG 4.3Å; F598-Q601 PolarHBondContact O-N 3.43Å; F598-Q601 VanDerWaalsContact O-N 3.13Å; F598-Y602 PolarHBondContact O-N 3.22Å; F598-Y602 VanDerWaalsContact O-N 3.1Å
599	Q	73.1	Confident	75.5	Confident	87 Å²	87	86.7 Å²	86.7	41%	0.407	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-27.6	-178.7	-161.7	-172.3	43	0	0	113.3	F587 R603	F587-Q599 HydrophobicContact CD1-CG 4.4Å; F587-Q599 HydrophobicContact CD2-CB 4.23Å; F587-Q599 HydrophobicContact CE1-CB 4.39Å; F587-Q599 HydrophobicContact CE1-CG 4.03Å; F587-Q599 HydrophobicContact CE2-CB 3.8Å; F587-Q599 HydrophobicContact CE2-CG 4.34Å; F587-Q599 HydrophobicContact CZ-CB 3.89Å; F587-Q599 HydrophobicContact CZ-CG 4Å; Q599-R603 WeakPolarHBondContact O-CB 3.44Å; Q599-R603 WeakPolarHBondContact O-CG 3.14Å; Q599-R603 PolarHBondContact O-N 2.86Å
600	S	78.2	Confident	74.3	Confident	84 Å²	84	92 Å²	92	59%	0.587	47%	0.468	S	S	*	.	H	α-helix	trans	-65.4	-44.1	174.9	49.5	0	0	0	0	112.3	F598 Q604	F598-S600 PolarHBondContact O-N 3.19Å; S600-Q604 WeakPolarHBondContact O-CB 3.41Å; S600-Q604 PolarHBondContact O-N 3.47Å
601	Q	77.7	Confident	73	Confident	94 Å²	94	92.3 Å²	92.3	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-66.6	-43.4	175.4	-64.1	173.7	-21.9	0	0	110.4	F596 F598 R603 Q604 H605	F596-Q601 HydrophobicContact CD1-CB 3.78Å; F596-Q601 HydrophobicContact CG-CB 4.49Å; F598-Q601 HydrophobicContact CB-CG 4.3Å; F598-Q601 PolarHBondContact O-N 3.43Å; F598-Q601 VanDerWaalsContact O-N 3.13Å; Q601-R603 PolarHBondContact O-N 3.19Å; Q601-Q604 PolarHBondContact O-N 3.15Å; Q601-Q604 VanDerWaalsContact O-N 3.13Å; Q601-H605 WeakPolarHBondContact O-CB 3.37Å; Q601-H605 PolarHBondContact O-N 3.39Å
602	Y	82.1	Confident	71.5	Confident	41 Å²	41	92.6 Å²	92.6	16%	0.161	49%	0.486	C	S	.	.	H	α-helix	trans	-57.4	-50.4	174.6	178.3	-135.7	0	0	0	112.3	F587 C589 F596 F598 Q604 H605 L606	F587-Y602 HydrophobicContact CB-CD1 3.56Å; F587-Y602 HydrophobicContact CB-CD2 4.33Å; F587-Y602 HydrophobicContact CB-CE1 4.19Å; F587-Y602 HydrophobicContact CB-CG 3.63Å; F587-Y602 AromaticContact CD1-CD1 3.98Å; F587-Y602 HydrophobicContact CD1-CD1 3.98Å; F587-Y602 HydrophobicContact CD1-CE1 4.38Å; F587-Y602 AromaticContact CG-CD1 4Å; F587-Y602 HydrophobicContact CG-CD1 4Å; F587-Y602 HydrophobicContact CG-CG 4.41Å; C589-Y602 HydrophobicContact CB-CD2 4.41Å; C589-Y602 HydrophobicContact CB-CE2 3.88Å; F596-Y602 HydrophobicContact CD2-CD2 4.06Å; F598-Y602 PolarHBondContact O-N 3.22Å; F598-Y602 VanDerWaalsContact O-N 3.1Å; Y602-Q604 PolarHBondContact O-N 3.45Å; Y602-H605 PolarHBondContact O-N 2.91Å; Y602-H605 VanDerWaalsContact O-N 3.14Å; Y602-L606 HydrophobicContact CD1-CD1 4.36Å; Y602-L606 HydrophobicContact CD2-CD1 4.38Å; Y602-L606 HydrophobicContact CD2-CG 4.08Å; Y602-L606 HydrophobicContact CE1-CD1 3.87Å; Y602-L606 HydrophobicContact CE2-CD1 3.83Å; Y602-L606 HydrophobicContact CE2-CD2 3.75Å; Y602-L606 HydrophobicContact CE2-CG 3.58Å; Y602-L606 PolarHBondContact O-N 3.16Å
603	R	77.8	Confident	69.4	Low	144 Å²	144	98.3 Å²	98.3	54%	0.543	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-15.8	176.7	-75	177.8	170.8	169.1	-4	114.2	Q599 Q601 R607	Q599-R603 WeakPolarHBondContact O-CB 3.44Å; Q599-R603 WeakPolarHBondContact O-CG 3.14Å; Q599-R603 PolarHBondContact O-N 2.86Å; Q601-R603 PolarHBondContact O-N 3.19Å; R603-R607 PolarHBondContact O-NE 3.07Å; R603-R607 PolarHBondContact O-NH2 3.18Å
604	Q	77.1	Confident	67.6	Low	133 Å²	133	102.1 Å²	102.1	62%	0.621	52%	0.521	S	S	*	.	H	α-helix	trans	-83.4	-37.4	170.3	-174.5	172.1	-5.1	0	0	110.9	S600 Q601 Y602 R607	S600-Q604 WeakPolarHBondContact O-CB 3.41Å; S600-Q604 PolarHBondContact O-N 3.47Å; Q601-Q604 PolarHBondContact O-N 3.15Å; Q601-Q604 VanDerWaalsContact O-N 3.13Å; Y602-Q604 PolarHBondContact O-N 3.45Å; Q604-R607 PolarHBondContact O-N 3.43Å
605	H	80.6	Confident	65.5	Low	20 Å²	20	103.2 Å²	103.2	9%	0.093	53%	0.533	C	S	.	.	H	α-helix	trans	-74.4	-32.9	176.1	173.3	52.1	0	0	0	113.9	C589 C592 F596 Q601 Y602 R607 T608 H609	C589-H605 PolarHBondContact SG-NE2 2.82Å; C592-H605 PolarHBondContact SG-NE2 3.37Å; F596-H605 HydrophobicContact CE1-CB 4.06Å; F596-H605 HydrophobicContact CE2-CB 4.01Å; F596-H605 AromaticContact CE2-CD2 3.19Å; F596-H605 WeakPolarHBondContact CE2-CD2 3.21Å; F596-H605 AromaticContact CE2-CG 3.73Å; F596-H605 HydrophobicContact CZ-CB 3.55Å; F596-H605 AromaticContact CZ-CD2 3.34Å; F596-H605 WeakPolarHBondContact CZ-CD2 3.36Å; F596-H605 AromaticContact CZ-CG 3.39Å; Q601-H605 WeakPolarHBondContact O-CB 3.37Å; Q601-H605 PolarHBondContact O-N 3.39Å; Y602-H605 PolarHBondContact O-N 2.91Å; Y602-H605 VanDerWaalsContact O-N 3.14Å; H605-R607 PolarHBondContact O-N 3.29Å; H605-T608 PolarHBondContact ND1-OG1 2.98Å; H605-T608 PolarHBondContact O-N 2.83Å; H605-T608 PolarHBondContact O-OG1 3.31Å; H605-H609 AromaticContact CD2-NE2 3.94Å; H605-H609 AromaticContact CE1-CE1 3.7Å; H605-H609 AromaticContact CE1-NE2 3.2Å; H605-H609 PolarHBondContact CE1-NE2 2.85Å; H605-H609 AromaticContact NE2-CE1 3.86Å; H605-H609 AromaticContact NE2-NE2 3.1Å; H605-H609 PolarHBondContact NE2-NE2 3.26Å
606	L	70.2	Confident	63.4	Low	58 Å²	58	107.2 Å²	107.2	30%	0.304	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-57.6	-31.7	171.8	-78.4	175.3	0	0	0	112.2	Y591 Y602 T608 H609	Y591-L606 HydrophobicContact CD2-CD2 4.3Å; Y591-L606 HydrophobicContact CE2-CD2 4.35Å; Y602-L606 HydrophobicContact CD1-CD1 4.36Å; Y602-L606 HydrophobicContact CD2-CD1 4.38Å; Y602-L606 HydrophobicContact CD2-CG 4.08Å; Y602-L606 HydrophobicContact CE1-CD1 3.87Å; Y602-L606 HydrophobicContact CE2-CD1 3.83Å; Y602-L606 HydrophobicContact CE2-CD2 3.75Å; Y602-L606 HydrophobicContact CE2-CG 3.58Å; Y602-L606 PolarHBondContact O-N 3.16Å; L606-T608 PolarHBondContact O-N 2.93Å; L606-H609 PolarHBondContact O-N 3.3Å
607	R	77.1	Confident	60.9	Low	194 Å²	194	112.3 Å²	112.3	73%	0.732	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-79.7	9.2	173.8	-74.7	175	-76	158.5	-4.3	114.2	R603 Q604 H605	R603-R607 PolarHBondContact O-NE 3.07Å; R603-R607 PolarHBondContact O-NH2 3.18Å; Q604-R607 PolarHBondContact O-N 3.43Å; H605-R607 PolarHBondContact O-N 3.29Å
608	T	65.4	Low	58.4	Low	97 Å²	97	115.1 Å²	115.1	60%	0.595	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-108.7	3.1	169	64.7	0	0	0	0	113	H605 L606	H605-T608 PolarHBondContact ND1-OG1 2.98Å; H605-T608 PolarHBondContact O-N 2.83Å; H605-T608 PolarHBondContact O-OG1 3.31Å; L606-T608 PolarHBondContact O-N 2.93Å
609	H	64.8	Low	56.2	Low	43 Å²	43	112.1 Å²	112.1	20%	0.199	60%	0.596	C	S	.	*	S	Bend	trans	-94	143.1	163.6	-62.2	-64.9	0	0	0	108.7	C589 Y591 C592 H605 L606	C589-H609 PolarHBondContact SG-NE2 2.8Å; Y591-H609 HydrophobicContact CD2-CB 4.48Å; Y591-H609 AromaticContact CD2-CD2 3.96Å; C592-H609 VanDerWaalsContact SG-CE1 3.6Å; H605-H609 AromaticContact CD2-NE2 3.94Å; H605-H609 AromaticContact CE1-CE1 3.7Å; H605-H609 AromaticContact CE1-NE2 3.2Å; H605-H609 PolarHBondContact CE1-NE2 2.85Å; H605-H609 AromaticContact NE2-CE1 3.86Å; H605-H609 AromaticContact NE2-NE2 3.1Å; H605-H609 PolarHBondContact NE2-NE2 3.26Å; L606-H609 PolarHBondContact O-N 3.3Å
610	P	56.7	Low	54.1	Low	111 Å²	111	113.3 Å²	113.3	72%	0.721	61%	0.614	S	S	*	*			trans	-62.8	137.8	172.8	28.2	-33.7	0	0	0	109.5	E612	P610-E612 PolarHBondContact O-N 3.43Å
611	A	42.7	Very low	51.7	Low	101 Å²	101	118 Å²	118	84%	0.835	63%	0.626	S	S	*	*			trans	-90.8	82.3	176.3	0	0	0	0	0	109.3	K613	A611-K613 PolarHBondContact O-N 2.86Å
612	E	35.6	Very low	49.3	Very low	180 Å²	180	118.2 Å²	118.2	84%	0.841	64%	0.639	S	S	*	*			trans	-60.3	123.8	161.3	-71	175.9	168	0	0	108.2	P610	P610-E612 PolarHBondContact O-N 3.43Å
613	K	34.7	Very low	46.6	Very low	174 Å²	174	122.3 Å²	122.3	76%	0.757	67%	0.668	S	S	*	*			trans	-79.5	139.8	167.7	-63.1	177.4	-177.5	174.8	0	107.8	A611 D615	A611-K613 PolarHBondContact O-N 2.86Å; K613-D615 PolarHBondContact O-N 3.01Å
614	P	35.4	Very low	44.2	Very low	125 Å²	125	122.7 Å²	122.7	81%	0.812	68%	0.68	S	S	*	*			trans	-74.2	109	158.1	30.6	-29.2	0	0	0	108.4
615	D	30.1	Very low	41.7	Very low	145 Å²	145	121.5 Å²	121.5	78%	0.775	69%	0.685	S	S	*	*			trans	-82	138.6	157	-73.4	-46.9	0	0	0	108.7	K613	K613-D615 PolarHBondContact O-N 3.01Å
616	Q	34.7	Very low	39.1	Very low	176 Å²	176	127.5 Å²	127.5	82%	0.822	72%	0.723	S	S	*	*			trans	-143	121.7	159.1	-82.1	-166.2	-30.3	0	0	108.4
617	D	30.9	Very low	37	Very low	144 Å²	144	133 Å²	133	77%	0.77	75%	0.748	S	S	*	*			trans	33.8	134	152.2	-54.4	-50.1	0	0	0	119.2
618	T	28.8	Very low	34.6	Very low	143 Å²	143	132.3 Å²	132.3	88%	0.877	75%	0.753	S	S	*	*				-165.4	147.6	54.6	-51.4	0	0	0	0	111.4
619	G	26.7	Very low	32.8	Very low	61 Å²	61	134.1 Å²	134.1	63%	0.629	76%	0.759	S	S	*	*			trans	123.1	91	144.8	0	0	0	0	0	118.8
620	S	28	Very low	31.4	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	78%	0.784	S	S	*	*			trans	65.9	140.5	131.4	-52.3	0	0	0	0	122.9
621	E	29	Very low	30.2	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	78%	0.78	S	S	*	*			trans	63	114.9	155.7	-67.7	165.7	-160.8	0	0	117.4
622	S	26.4	Very low	29.6	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	78%	0.784	S	S	*	*			cis	95.2	155.2	40.3	83.1	0	0	0	0	113.8
623	V	26.8	Very low	29.2	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	78%	0.783	S	S	*	*			trans	67.7	97.2	-173.8	-167.5	0	0	0	0	113
624	L	25.9	Very low	28.9	Very low	151 Å²	151	144.9 Å²	144.9	79%	0.791	79%	0.792	S	S	*	*				74.4	121.9	72.4	-71	170.9	0	0	0	115.7
625	C	25.8	Very low	28.4	Very low	109 Å²	109	145 Å²	145	74%	0.736	79%	0.786	S	S	*	*			trans	28.3	128.1	145	-56.1	0	0	0	0	120.8
626	T	24.5	Very low	28.3	Very low	146 Å²	146	143.8 Å²	143.8	90%	0.896	78%	0.779	S	S	*	*				-154.5	159.1	96.2	14.7	0	0	0	0	112.7
627	E	26.2	Very low	28	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.813	77%	0.774	S	S	*	*			trans	-103	154.1	176.1	-61	165.5	130.2	0	0	110.3
628	Q	28.3	Very low	28.3	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	78%	0.776	S	S	*	*			trans	157.7	123.2	143.9	-85.2	160.7	19.1	0	0	107.8
629	D	26.7	Very low	28.8	Very low	135 Å²	135	140 Å²	140	72%	0.722	77%	0.768	S	S	*	*				74.2	134	59	-65	-41	0	0	0	111.9
630	E	36.3	Very low	29.7	Very low	156 Å²	156	139 Å²	139	73%	0.729	76%	0.758	S	S	*	*			cis	-156.1	167.6	14	-130.2	-176	169.8	0	0	113
631	I	31	Very low	30.8	Very low	123 Å²	123	137.2 Å²	137.2	63%	0.631	74%	0.742	S	S	*	*			trans	55.2	104.5	150.9	-63.3	157.8	0	0	0	118.7
632	L	29.7	Very low	32.1	Very low	176 Å²	176	132.9 Å²	132.9	92%	0.921	72%	0.718	S	S	*	*				-146	135.7	88.5	-111.5	179.6	0	0	0	110.6
633	Q	27	Very low	33.1	Very low	175 Å²	175	131 Å²	131	82%	0.818	71%	0.705	S	S	*	*			trans	-131.6	120.8	-162.3	-177.6	-175	78.7	0	0	110.3
634	Q	28.8	Very low	34.9	Very low	205 Å²	205	125 Å²	125	96%	0.958	67%	0.669	S	S	*	*			trans	-147.1	145	151.2	-163.9	150.1	18.3	0	0	110.2
635	D	24.9	Very low	36.5	Very low	127 Å²	127	127.1 Å²	127.1	68%	0.679	67%	0.666	S	S	*	*			trans	-124.6	164.6	-147.7	-162.5	10.5	0	0	0	113.1
636	N	27.1	Very low	38.1	Very low	120 Å²	120	125.6 Å²	125.6	64%	0.642	65%	0.65	S	S	*	*			trans	82.5	126.1	159.1	-76.2	-66.8	0	0	0	123.3
637	T	30	Very low	39.6	Very low	114 Å²	114	121 Å²	121	70%	0.699	62%	0.624	S	S	*	*			trans	75.8	96.5	139.6	55.2	0	0	0	0	121.8
638	D	36.4	Very low	40.9	Very low	155 Å²	155	118.6 Å²	118.6	83%	0.829	62%	0.617	S	S	*	*				-137.5	75.8	124.7	-167.8	11	0	0	0	110.4	G640	D638-G640 PolarHBondContact O-N 3.22Å; D638-G640 VanDerWaalsContact O-N 3.08Å
639	T	38.3	Very low	42.6	Very low	114 Å²	114	113.5 Å²	113.5	70%	0.699	60%	0.597	S	S	*	*			trans	-73.4	102.2	-176.4	-40.4	0	0	0	0	109.8	V641	T639-V641 PolarHBondContact O-N 2.71Å
640	G	46.5	Very low	44.3	Very low	40 Å²	40	114.6 Å²	114.6	41%	0.412	60%	0.596	S	S	.	*			trans	-44.6	116.7	-164.3	0	0	0	0	0	116	D638 Y642	D638-G640 PolarHBondContact O-N 3.22Å; D638-G640 VanDerWaalsContact O-N 3.08Å; G640-Y642 WeakPolarHBondContact O-CD2 3.17Å; G640-Y642 WeakPolarHBondContact O-CE2 3.42Å; G640-Y642 PolarHBondContact O-N 3.06Å
641	V	51.3	Low	45.9	Very low	75 Å²	75	108.7 Å²	108.7	46%	0.455	57%	0.569	S	S	.	*			trans	-79.9	112.2	-175.2	-179.1	0	0	0	0	112.1	T639 S643 K650	T639-V641 PolarHBondContact O-N 2.71Å; V641-S643 PolarHBondContact O-N 3.18Å; V641-K650 HydrophobicContact CG1-CB 3.51Å; V641-K650 HydrophobicContact CG1-CD 3.77Å; V641-K650 HydrophobicContact CG1-CG 3.54Å
642	Y	57.2	Low	47.1	Very low	89 Å²	89	107.4 Å²	107.4	35%	0.349	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	102.5	-174.3	-67.6	-78.1	0	0	0	112	G640 L651 L654	G640-Y642 WeakPolarHBondContact O-CD2 3.17Å; G640-Y642 WeakPolarHBondContact O-CE2 3.42Å; G640-Y642 PolarHBondContact O-N 3.06Å; Y642-L651 PolarHBondContact N-O 2.8Å; Y642-L651 WeakPolarHBondContact O-CB 3.32Å; Y642-L651 PolarHBondContact O-N 3.29Å; Y642-L654 HydrophobicContact CD1-CB 3.88Å; Y642-L654 HydrophobicContact CD1-CD1 3.67Å; Y642-L654 HydrophobicContact CD1-CG 4.39Å; Y642-L654 HydrophobicContact CD2-CB 4.37Å; Y642-L654 HydrophobicContact CE1-CB 3.69Å; Y642-L654 HydrophobicContact CE1-CD1 3.7Å; Y642-L654 HydrophobicContact CE1-CG 4.2Å; Y642-L654 HydrophobicContact CE2-CB 4.19Å; Y642-L654 HydrophobicContact CG-CB 4.23Å
643	S	46.7	Very low	48.9	Very low	61 Å²	61	101.1 Å²	101.1	43%	0.427	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.9	179.2	55.4	0	0	0	0	112.8	V641 R645 V649 Q657	V641-S643 PolarHBondContact O-N 3.18Å; S643-R645 PolarHBondContact O-N 2.81Å; S643-V649 WeakPolarHBondContact CA-O 3.39Å; S643-Q657 PolarHBondContact O-NE2 2.96Å
644	C	65.1	Low	50.5	Low	0 Å²	0	97.7 Å²	97.7	0%	0	53%	0.528	C	S	.	.			trans	-64.2	124.4	176.8	169.4	0	0	0	0	111.5	L646 C647 N648 V649 L651 H660	C644-L646 PolarHBondContact O-N 2.6Å; C644-C647 VanDerWaalsContact CB-SG 3.57Å; C644-C647 PolarHBondContact O-N 3.38Å; C644-C647 PolarHBondContact SG-SG 3.13Å; C644-N648 VanDerWaalsContact O-CA 3.31Å; C644-N648 WeakPolarHBondContact O-CA 3.49Å; C644-N648 PolarHBondContact O-N 3.11Å; C644-N648 PolarHBondContact O-OD1 3.02Å; C644-V649 PolarHBondContact N-O 3.23Å; C644-L651 HydrophobicContact CB-CD1 4.23Å; C644-H660 PolarHBondContact SG-CD2 3.43Å
645	R	59.4	Low	52.2	Low	196 Å²	196	92.6 Å²	92.6	74%	0.74	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	3.2	-171.5	-60.6	166.2	-169.3	-136	-1.3	114.9	S643 E661	S643-R645 PolarHBondContact O-N 2.81Å; R645-E661 WeakPolarHBondContact CB-OE1 3.48Å; R645-E661 WeakPolarHBondContact CD-OE1 3.46Å; R645-E661 WeakPolarHBondContact CG-OE1 3.42Å; R645-E661 PolarHBondContact N-OE1 3.44Å
646	L	59.1	Low	53.8	Low	77 Å²	77	90.8 Å²	90.8	40%	0.403	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-13.8	-175.5	-62.2	176.6	0	0	0	113.9	C644 C664 R665	C644-L646 PolarHBondContact O-N 2.6Å; L646-C664 HydrophobicContact CB-CB 4.35Å; L646-C664 VanDerWaalsContact CB-SG 3.58Å; L646-C664 HydrophobicContact CD1-CB 4.11Å; L646-R665 HydrophobicContact CD1-CG 4.03Å
647	C	54.7	Low	55.6	Low	51 Å²	51	85.7 Å²	85.7	35%	0.345	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146	-5.3	-179.3	64.6	0	0	0	0	114.1	C644 V649 H660	C644-C647 VanDerWaalsContact CB-SG 3.57Å; C644-C647 PolarHBondContact O-N 3.38Å; C644-C647 PolarHBondContact SG-SG 3.13Å; C647-V649 HydrophobicContact CB-CG2 4.36Å; C647-V649 PolarHBondContact O-N 3.04Å; C647-V649 VanDerWaalsContact O-N 3.1Å; C647-H660 PolarHBondContact SG-NE2 3.46Å
648	N	54.5	Low	57	Low	123 Å²	123	81.5 Å²	81.5	66%	0.658	45%	0.451	S	S	*	.			trans	55.6	16.8	-176.4	-64.4	3.4	0	0	0	115.8	C644 K650	C644-N648 VanDerWaalsContact O-CA 3.31Å; C644-N648 WeakPolarHBondContact O-CA 3.49Å; C644-N648 PolarHBondContact O-N 3.11Å; C644-N648 PolarHBondContact O-OD1 3.02Å; N648-K650 PolarHBondContact O-N 3.01Å
649	V	64.8	Low	58.2	Low	71 Å²	71	78 Å²	78	43%	0.43	43%	0.432	S	S	.	.			trans	-61.7	127.7	167.6	175.5	0	0	0	0	108.8	S643 C644 C647 L651	S643-V649 WeakPolarHBondContact CA-O 3.39Å; C644-V649 PolarHBondContact N-O 3.23Å; C647-V649 HydrophobicContact CB-CG2 4.36Å; C647-V649 PolarHBondContact O-N 3.04Å; C647-V649 VanDerWaalsContact O-N 3.1Å; V649-L651 HydrophobicContact CG1-CD2 4.02Å; V649-L651 HydrophobicContact CG1-CG 4.33Å
650	K	61.3	Low	59.4	Low	159 Å²	159	75.6 Å²	75.6	69%	0.691	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.1	172.2	-74.2	-178.2	158.8	-164.2	0	109.3	V641 N648	V641-K650 HydrophobicContact CG1-CB 3.51Å; V641-K650 HydrophobicContact CG1-CD 3.77Å; V641-K650 HydrophobicContact CG1-CG 3.54Å; N648-K650 PolarHBondContact O-N 3.01Å
651	L	70.6	Confident	60.3	Low	31 Å²	31	74.7 Å²	74.7	16%	0.162	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.5	-178.9	-60.1	163.8	0	0	0	110	Y642 C644 V649 E656 Q657 H660	Y642-L651 PolarHBondContact N-O 2.8Å; Y642-L651 WeakPolarHBondContact O-CB 3.32Å; Y642-L651 PolarHBondContact O-N 3.29Å; C644-L651 HydrophobicContact CB-CD1 4.23Å; V649-L651 HydrophobicContact CG1-CD2 4.02Å; V649-L651 HydrophobicContact CG1-CG 4.33Å; L651-E656 HydrophobicContact CB-CB 4.39Å; L651-Q657 HydrophobicContact CD1-CB 4.35Å; L651-H660 HydrophobicContact CD1-CB 3.45Å; L651-H660 VanDerWaalsContact CD1-CB 3.45Å
652	S	55.7	Low	60.8	Low	97 Å²	97	77.8 Å²	77.8	68%	0.678	40%	0.401	S	S	*	.	S	Bend	trans	-75.7	-21.9	-171.9	13.3	0	0	0	0	114	E656	S652-E656 WeakPolarHBondContact CA-OE2 3.16Å; S652-E656 VanDerWaalsContact CB-OE2 3.24Å; S652-E656 WeakPolarHBondContact CB-OE2 3.49Å; S652-E656 PolarHBondContact N-OE2 3.2Å; S652-E656 PolarHBondContact OG-OE2 3.45Å
653	S	67.6	Low	60.8	Low	44 Å²	44	75.3 Å²	75.3	31%	0.308	40%	0.403	S	S	.	.			trans	-141.3	150.7	-177.8	174.3	0	0	0	0	113.8	V655 E656 Q657	S653-V655 PolarHBondContact O-N 3.02Å; S653-V655 PolarHBondContact OG-N 3.14Å; S653-V655 VanDerWaalsContact OG-N 3.14Å; S653-E656 PolarHBondContact N-OE2 2.93Å; S653-E656 WeakPolarHBondContact O-CB 3.44Å; S653-E656 PolarHBondContact O-N 2.72Å; S653-Q657 PolarHBondContact O-N 3.19Å
654	L	60.8	Low	61.3	Low	102 Å²	102	72.8 Å²	72.8	53%	0.534	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-31.5	170.5	-175.1	68	0	0	0	111.8	Y642 Q657 G658	Y642-L654 HydrophobicContact CD1-CB 3.88Å; Y642-L654 HydrophobicContact CD1-CD1 3.67Å; Y642-L654 HydrophobicContact CD1-CG 4.39Å; Y642-L654 HydrophobicContact CD2-CB 4.37Å; Y642-L654 HydrophobicContact CE1-CB 3.69Å; Y642-L654 HydrophobicContact CE1-CD1 3.7Å; Y642-L654 HydrophobicContact CE1-CG 4.2Å; Y642-L654 HydrophobicContact CE2-CB 4.19Å; Y642-L654 HydrophobicContact CG-CB 4.23Å; L654-Q657 PolarHBondContact O-N 2.92Å; L654-G658 PolarHBondContact O-N 3.24Å
655	V	63.6	Low	60.9	Low	99 Å²	99	80.6 Å²	80.6	60%	0.6	42%	0.415	S	S	*	.	H	α-helix	trans	-69.5	-45.5	176.5	-175.5	0	0	0	0	109.9	S653 Q657 G658 D659	S653-V655 PolarHBondContact O-N 3.02Å; S653-V655 PolarHBondContact OG-N 3.14Å; S653-V655 VanDerWaalsContact OG-N 3.14Å; V655-Q657 VanDerWaalsContact C-N 3.35Å; V655-Q657 PolarHBondContact O-N 3.32Å; V655-G658 CarbonylContact O-C 3.55Å; V655-G658 VanDerWaalsContact O-CA 3.31Å; V655-G658 WeakPolarHBondContact O-CA 3.38Å; V655-G658 PolarHBondContact O-N 2.97Å; V655-D659 PolarHBondContact O-N 2.86Å
656	E	58.7	Low	60.5	Low	88 Å²	88	79 Å²	79	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-36.9	173.8	-65.5	178	136.8	0	0	112.2	L651 S652 S653 G658 D659 H660	L651-E656 HydrophobicContact CB-CB 4.39Å; S652-E656 WeakPolarHBondContact CA-OE2 3.16Å; S652-E656 VanDerWaalsContact CB-OE2 3.24Å; S652-E656 WeakPolarHBondContact CB-OE2 3.49Å; S652-E656 PolarHBondContact N-OE2 3.2Å; S652-E656 PolarHBondContact OG-OE2 3.45Å; S653-E656 PolarHBondContact N-OE2 2.93Å; S653-E656 WeakPolarHBondContact O-CB 3.44Å; S653-E656 PolarHBondContact O-N 2.72Å; E656-G658 VanDerWaalsContact C-N 3.29Å; E656-G658 PolarHBondContact O-N 3.38Å; E656-D659 PolarHBondContact O-N 3.22Å; E656-H660 WeakPolarHBondContact O-CB 3.2Å; E656-H660 PolarHBondContact O-N 3.11Å
657	Q	66.4	Low	60.5	Low	13 Å²	13	75.9 Å²	75.9	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-42.1	168.2	169.8	167	14.9	0	0	110.9	S643 L651 S653 L654 V655 E661	S643-Q657 PolarHBondContact O-NE2 2.96Å; L651-Q657 HydrophobicContact CD1-CB 4.35Å; S653-Q657 PolarHBondContact O-N 3.19Å; L654-Q657 PolarHBondContact O-N 2.92Å; V655-Q657 VanDerWaalsContact C-N 3.35Å; V655-Q657 PolarHBondContact O-N 3.32Å; Q657-E661 HydrophobicContact CG-CG 4.39Å; Q657-E661 PolarHBondContact NE2-OE1 2.95Å; Q657-E661 VanDerWaalsContact O-CB 3.25Å; Q657-E661 WeakPolarHBondContact O-CB 3.49Å; Q657-E661 WeakPolarHBondContact O-CG 3.4Å; Q657-E661 PolarHBondContact O-N 3.32Å
658	G	58.4	Low	60.7	Low	27 Å²	27	75.5 Å²	75.5	28%	0.278	40%	0.397	S	S	.	.	H	α-helix	trans	-57.7	-50	175.1	0	0	0	0	0	112.6	L654 V655 E656 E661 R662	L654-G658 PolarHBondContact O-N 3.24Å; V655-G658 CarbonylContact O-C 3.55Å; V655-G658 VanDerWaalsContact O-CA 3.31Å; V655-G658 WeakPolarHBondContact O-CA 3.38Å; V655-G658 PolarHBondContact O-N 2.97Å; E656-G658 VanDerWaalsContact C-N 3.29Å; E656-G658 PolarHBondContact O-N 3.38Å; G658-E661 PolarHBondContact O-N 3.07Å; G658-R662 WeakPolarHBondContact O-CG 3.48Å; G658-R662 PolarHBondContact O-N 3Å
659	D	61.9	Low	61.3	Low	80 Å²	80	72.6 Å²	72.6	43%	0.428	38%	0.384	S	S	.	.	H	α-helix	trans	-74.7	-37.7	-179.5	-80.7	-59.5	0	0	0	113.9	V655 E656 E661 R662 G663	V655-D659 PolarHBondContact O-N 2.86Å; E656-D659 PolarHBondContact O-N 3.22Å; D659-E661 VanDerWaalsContact C-N 3.33Å; D659-E661 PolarHBondContact O-N 2.98Å; D659-R662 CarbonylContact O-C 3.58Å; D659-R662 WeakPolarHBondContact O-CB 3.4Å; D659-R662 PolarHBondContact O-N 3.39Å; D659-R662 IonicContact OD1-CZ 3.21Å; D659-R662 IonicContact OD1-NE 3.19Å; D659-R662 PolarHBondContact OD1-NE 2.69Å; D659-R662 IonicContact OD1-NH2 2.92Å; D659-R662 PolarHBondContact OD1-NH2 2.65Å; D659-R662 IonicContact OD2-CZ 3.72Å; D659-R662 IonicContact OD2-NE 2.79Å; D659-R662 IonicContact OD2-NH2 2.71Å; D659-R662 PolarHBondContact OD2-NH2 3Å; D659-G663 PolarHBondContact O-N 3.39Å
660	H	63.9	Low	61.5	Low	64 Å²	64	69.2 Å²	69.2	30%	0.296	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-40.4	170.2	-171.3	111.9	0	0	0	110.7	C644 C647 L651 E656 G663 C664	C644-H660 PolarHBondContact SG-CD2 3.43Å; C647-H660 PolarHBondContact SG-NE2 3.46Å; L651-H660 HydrophobicContact CD1-CB 3.45Å; L651-H660 VanDerWaalsContact CD1-CB 3.45Å; E656-H660 WeakPolarHBondContact O-CB 3.2Å; E656-H660 PolarHBondContact O-N 3.11Å; H660-G663 CarbonylContact O-C 3.56Å; H660-G663 PolarHBondContact O-N 3.29Å; H660-C664 WeakPolarHBondContact O-CB 3.42Å; H660-C664 PolarHBondContact O-N 3.01Å
661	E	64.3	Low	61.5	Low	21 Å²	21	65 Å²	65	10%	0.098	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-31.5	173.7	-78.4	-169.2	-155.8	0	0	112.6	R645 Q657 G658 D659 R665	R645-E661 WeakPolarHBondContact CB-OE1 3.48Å; R645-E661 WeakPolarHBondContact CD-OE1 3.46Å; R645-E661 WeakPolarHBondContact CG-OE1 3.42Å; R645-E661 PolarHBondContact N-OE1 3.44Å; Q657-E661 HydrophobicContact CG-CG 4.39Å; Q657-E661 PolarHBondContact NE2-OE1 2.95Å; Q657-E661 VanDerWaalsContact O-CB 3.25Å; Q657-E661 WeakPolarHBondContact O-CB 3.49Å; Q657-E661 WeakPolarHBondContact O-CG 3.4Å; Q657-E661 PolarHBondContact O-N 3.32Å; G658-E661 PolarHBondContact O-N 3.07Å; D659-E661 VanDerWaalsContact C-N 3.33Å; D659-E661 PolarHBondContact O-N 2.98Å; E661-R665 VanDerWaalsContact O-CD 3.23Å; E661-R665 WeakPolarHBondContact O-CD 3.49Å; E661-R665 WeakPolarHBondContact O-CG 3.35Å; E661-R665 PolarHBondContact O-N 3.2Å; E661-R665 PolarHBondContact O-NE 3.39Å; E661-R665 IonicContact OE2-NH2 3.95Å; E661-R665 PolarHBondContact OE2-NH2 2.84Å
662	R	63.3	Low	61	Low	140 Å²	140	66.7 Å²	66.7	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-42.4	168.4	-76	-174.8	-83.8	-115.3	7.8	111	G658 D659 H666	G658-R662 WeakPolarHBondContact O-CG 3.48Å; G658-R662 PolarHBondContact O-N 3Å; D659-R662 CarbonylContact O-C 3.58Å; D659-R662 WeakPolarHBondContact O-CB 3.4Å; D659-R662 PolarHBondContact O-N 3.39Å; D659-R662 IonicContact OD1-CZ 3.21Å; D659-R662 IonicContact OD1-NE 3.19Å; D659-R662 PolarHBondContact OD1-NE 2.69Å; D659-R662 IonicContact OD1-NH2 2.92Å; D659-R662 PolarHBondContact OD1-NH2 2.65Å; D659-R662 IonicContact OD2-CZ 3.72Å; D659-R662 IonicContact OD2-NE 2.79Å; D659-R662 IonicContact OD2-NH2 2.71Å; D659-R662 PolarHBondContact OD2-NH2 3Å; R662-H666 PolarHBondContact O-ND1 2.92Å
663	G	55.7	Low	61.3	Low	38 Å²	38	63.6 Å²	63.6	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-68.3	-45.7	174.3	0	0	0	0	0	113.6	D659 H660 R665 H666 A667	D659-G663 PolarHBondContact O-N 3.39Å; H660-G663 CarbonylContact O-C 3.56Å; H660-G663 PolarHBondContact O-N 3.29Å; G663-R665 PolarHBondContact O-N 2.92Å; G663-H666 CarbonylContact O-C 3.59Å; G663-H666 WeakPolarHBondContact O-CA 3.4Å; G663-H666 PolarHBondContact O-N 3Å; G663-A667 PolarHBondContact O-N 3.34Å
664	C	57.1	Low	61	Low	8 Å²	8	63.8 Å²	63.8	5%	0.054	34%	0.343	C	S	.	.	H	α-helix	trans	-67.4	-19.7	-176.7	-162.5	0	0	0	0	113.4	L646 H660 R676	L646-C664 HydrophobicContact CB-CB 4.35Å; L646-C664 VanDerWaalsContact CB-SG 3.58Å; L646-C664 HydrophobicContact CD1-CB 4.11Å; H660-C664 WeakPolarHBondContact O-CB 3.42Å; H660-C664 PolarHBondContact O-N 3.01Å; C664-R676 PolarHBondContact O-NH1 2.76Å
665	R	57.4	Low	61.1	Low	164 Å²	164	63.4 Å²	63.4	62%	0.619	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.2	168.1	-71.4	163.9	-158.9	-157.9	5.9	113.1	L646 E661 G663	L646-R665 HydrophobicContact CD1-CG 4.03Å; E661-R665 VanDerWaalsContact O-CD 3.23Å; E661-R665 WeakPolarHBondContact O-CD 3.49Å; E661-R665 WeakPolarHBondContact O-CG 3.35Å; E661-R665 PolarHBondContact O-N 3.2Å; E661-R665 PolarHBondContact O-NE 3.39Å; E661-R665 IonicContact OE2-NH2 3.95Å; E661-R665 PolarHBondContact OE2-NH2 2.84Å; G663-R665 PolarHBondContact O-N 2.92Å
666	H	52	Low	60.9	Low	162 Å²	162	64.5 Å²	64.5	75%	0.75	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.6	174.1	-59.1	95.6	0	0	0	113.1	R662 G663 T668	R662-H666 PolarHBondContact O-ND1 2.92Å; G663-H666 CarbonylContact O-C 3.59Å; G663-H666 WeakPolarHBondContact O-CA 3.4Å; G663-H666 PolarHBondContact O-N 3Å; H666-T668 PolarHBondContact O-N 3.37Å
667	A	58.8	Low	61.4	Low	11 Å²	11	61.7 Å²	61.7	9%	0.091	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-56.2	133.7	179.8	0	0	0	0	0	112.5	G663 R676 F677	G663-A667 PolarHBondContact O-N 3.34Å; A667-R676 HydrophobicContact CB-CB 4.18Å; A667-F677 CarbonylContact C-O 3.42Å; A667-F677 VanDerWaalsContact CA-O 3.32Å; A667-F677 WeakPolarHBondContact CA-O 3.43Å; A667-F677 VanDerWaalsContact CB-O 3.32Å; A667-F677 WeakPolarHBondContact CB-O 3.41Å
668	T	58.4	Low	60.5	Low	44 Å²	44	66.3 Å²	66.3	27%	0.27	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	135.1	-177.9	66.4	0	0	0	0	110.6	H666 F677 P680 K683	H666-T668 PolarHBondContact O-N 3.37Å; T668-F677 PolarHBondContact N-O 3.14Å; T668-F677 PolarHBondContact O-N 3.48Å; T668-P680 HydrophobicContact CG2-CB 4.25Å; T668-K683 VanDerWaalsContact OG1-CD 3.29Å; T668-K683 WeakPolarHBondContact OG1-CD 3.27Å
669	V	66.2	Low	60.3	Low	62 Å²	62	66.8 Å²	66.8	38%	0.376	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.5	-179.3	-173.5	0	0	0	0	109.7	L675 R676 K683	V669-L675 WeakPolarHBondContact CA-O 3.4Å; V669-R676 HydrophobicContact CG2-CG 4.32Å; V669-K683 VanDerWaalsContact O-CE 3.3Å; V669-K683 WeakPolarHBondContact O-CE 3.22Å; V669-K683 PolarHBondContact O-NZ 3.23Å
670	C	69.9	Low	60.4	Low	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.7	123.3	168	173.8	0	0	0	0	109.9	Y672 C673 G674 L675 F677	C670-Y672 PolarHBondContact O-N 3.5Å; C670-C673 VanDerWaalsContact CB-SG 3.53Å; C670-C673 PolarHBondContact SG-SG 3.17Å; C670-G674 WeakPolarHBondContact O-CA 3.25Å; C670-G674 PolarHBondContact O-N 3.12Å; C670-L675 PolarHBondContact N-O 2.83Å; C670-F677 HydrophobicContact CB-CD2 4.19Å; C670-F677 HydrophobicContact CB-CE2 3.66Å
671	P	60	Low	60.5	Low	71 Å²	71	68.1 Å²	68.1	46%	0.461	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.9	-176.8	-22.5	34.2	0	0	0	113.5	E687	P671-E687 WeakPolarHBondContact CD-OE1 3.3Å
672	Y	60.2	Low	60.6	Low	65 Å²	65	70.5 Å²	70.5	26%	0.255	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-26.7	-170.2	-49.3	-63.3	0	0	0	113.8	C670 E687 Y692 K693 T696 T703	C670-Y672 PolarHBondContact O-N 3.5Å; Y672-E687 HydrophobicContact CD2-CG 4.08Å; Y672-E687 HydrophobicContact CE2-CB 4.39Å; Y672-E687 HydrophobicContact CE2-CG 4.01Å; Y672-Y692 WeakPolarHBondContact O-CB 3.21Å; Y672-K693 HydrophobicContact CD2-CB 4.41Å; Y672-K693 HydrophobicContact CE2-CD 4.49Å; Y672-K693 HydrophobicContact CG-CB 4.33Å; Y672-T696 HydrophobicContact CD1-CG2 3.58Å; Y672-T696 HydrophobicContact CE1-CG2 4.48Å; Y672-T696 HydrophobicContact CG-CG2 4.33Å; Y672-T703 WeakPolarHBondContact O-CG2 3.48Å
673	C	63.5	Low	61.1	Low	33 Å²	33	65.9 Å²	65.9	22%	0.223	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-9.9	-175.5	63.5	0	0	0	0	115	C670 L675 H686 Y692	C670-C673 VanDerWaalsContact CB-SG 3.53Å; C670-C673 PolarHBondContact SG-SG 3.17Å; C673-L675 HydrophobicContact CB-CG 4.4Å; C673-L675 PolarHBondContact O-N 3.4Å; C673-H686 PolarHBondContact SG-NE2 2.97Å; C673-Y692 HydrophobicContact CB-CD2 3.58Å; C673-Y692 HydrophobicContact CB-CE2 4.25Å; C673-Y692 HydrophobicContact CB-CG 4.25Å
674	G	61.2	Low	61.6	Low	47 Å²	47	71.1 Å²	71.1	49%	0.485	38%	0.382	S	S	.	.			trans	73.4	0.2	-178	0	0	0	0	0	115.5	C670	C670-G674 WeakPolarHBondContact O-CA 3.25Å; C670-G674 PolarHBondContact O-N 3.12Å
675	L	62.8	Low	62.3	Low	95 Å²	95	75 Å²	75	50%	0.497	40%	0.403	S	S	.	.			trans	-65.3	146.7	175	-66.2	175	0	0	0	111.3	V669 C670 C673 F677	V669-L675 WeakPolarHBondContact CA-O 3.4Å; C670-L675 PolarHBondContact N-O 2.83Å; C673-L675 HydrophobicContact CB-CG 4.4Å; C673-L675 PolarHBondContact O-N 3.4Å; L675-F677 HydrophobicContact CB-CE2 3.57Å; L675-F677 HydrophobicContact CB-CZ 3.68Å; L675-F677 HydrophobicContact CD1-CZ 4.3Å; L675-F677 WeakPolarHBondContact O-CD2 3.37Å; L675-F677 WeakPolarHBondContact O-CE2 3.32Å
676	R	59.7	Low	62.9	Low	121 Å²	121	69.4 Å²	69.4	46%	0.457	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.3	-176.5	-69.2	174.6	173.5	-87.2	-11.2	110.4	C664 A667 V669	C664-R676 PolarHBondContact O-NH1 2.76Å; A667-R676 HydrophobicContact CB-CB 4.18Å; V669-R676 HydrophobicContact CG2-CG 4.32Å
677	F	69.3	Low	63.7	Low	29 Å²	29	63.4 Å²	63.4	13%	0.127	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	-177.8	-62.5	-83.3	0	0	0	110.9	A667 T668 C670 L675 S679 V682 K683 H686	A667-F677 CarbonylContact C-O 3.42Å; A667-F677 VanDerWaalsContact CA-O 3.32Å; A667-F677 WeakPolarHBondContact CA-O 3.43Å; A667-F677 VanDerWaalsContact CB-O 3.32Å; A667-F677 WeakPolarHBondContact CB-O 3.41Å; T668-F677 PolarHBondContact N-O 3.14Å; T668-F677 PolarHBondContact O-N 3.48Å; C670-F677 HydrophobicContact CB-CD2 4.19Å; C670-F677 HydrophobicContact CB-CE2 3.66Å; L675-F677 HydrophobicContact CB-CE2 3.57Å; L675-F677 HydrophobicContact CB-CZ 3.68Å; L675-F677 HydrophobicContact CD1-CZ 4.3Å; L675-F677 WeakPolarHBondContact O-CD2 3.37Å; L675-F677 WeakPolarHBondContact O-CE2 3.32Å; F677-S679 PolarHBondContact O-N 2.82Å; F677-V682 HydrophobicContact CD1-CG1 3.99Å; F677-K683 HydrophobicContact CB-CB 3.95Å; F677-K683 HydrophobicContact CD2-CB 4.16Å; F677-K683 HydrophobicContact CD2-CG 4.25Å; F677-K683 HydrophobicContact CG-CB 4.14Å; F677-H686 HydrophobicContact CD1-CB 4.48Å; F677-H686 HydrophobicContact CE1-CB 3.76Å; F677-H686 AromaticContact CE1-CG 3.76Å; F677-H686 HydrophobicContact CE2-CB 4.28Å; F677-H686 AromaticContact CE2-CD2 3.71Å; F677-H686 AromaticContact CE2-CG 3.97Å; F677-H686 HydrophobicContact CZ-CB 3.66Å; F677-H686 AromaticContact CZ-CD2 3.36Å; F677-H686 WeakPolarHBondContact CZ-CD2 3.13Å; F677-H686 AromaticContact CZ-CE1 3.96Å; F677-H686 AromaticContact CZ-CG 3.24Å; F677-H686 AromaticContact CZ-ND1 3.64Å; F677-H686 AromaticContact CZ-NE2 3.83Å
678	S	47.4	Very low	64	Low	110 Å²	110	65.9 Å²	65.9	77%	0.769	38%	0.376	S	S	*	.	S	Bend	trans	-59.8	-26.6	-179.4	47.1	0	0	0	0	113.6
679	S	53	Low	63.9	Low	38 Å²	38	71.3 Å²	71.3	27%	0.266	40%	0.398	S	S	.	.	S	Bend	trans	-132.4	143.9	177.5	169.2	0	0	0	0	111.4	F677 V681 V682 K683	F677-S679 PolarHBondContact O-N 2.82Å; S679-V681 PolarHBondContact O-N 3.4Å; S679-V681 PolarHBondContact OG-N 3.12Å; S679-V682 PolarHBondContact O-N 3.09Å; S679-K683 PolarHBondContact O-N 3.38Å; S679-K683 VanDerWaalsContact O-N 3.17Å
680	P	63.6	Low	63.9	Low	81 Å²	81	68.7 Å²	68.7	53%	0.526	38%	0.383	S	S	.	.	H	α-helix	trans	-65.2	-16.5	173	28.1	-35.7	0	0	0	113.8	T668 K684	T668-P680 HydrophobicContact CG2-CB 4.25Å; P680-K684 PolarHBondContact O-N 2.84Å
681	V	67.2	Low	63.3	Low	90 Å²	90	79.2 Å²	79.2	55%	0.545	42%	0.422	S	S	.	.	H	α-helix	trans	-71.4	-58.4	174.4	-176.2	0	0	0	0	109.4	S679 K683 K684 D685	S679-V681 PolarHBondContact O-N 3.4Å; S679-V681 PolarHBondContact OG-N 3.12Å; V681-K683 PolarHBondContact O-N 2.91Å; V681-K683 VanDerWaalsContact O-N 3.08Å; V681-K684 WeakPolarHBondContact O-CA 3.44Å; V681-K684 WeakPolarHBondContact O-CB 3.42Å; V681-K684 PolarHBondContact O-N 2.95Å; V681-D685 PolarHBondContact O-N 3.5Å; V681-D685 VanDerWaalsContact O-N 3.12Å
682	V	66.4	Low	63.2	Low	71 Å²	71	81.5 Å²	81.5	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-56.2	-31.6	176.6	-172.6	0	0	0	0	111.8	F677 S679 H686	F677-V682 HydrophobicContact CD1-CG1 3.99Å; S679-V682 PolarHBondContact O-N 3.09Å; V682-H686 WeakPolarHBondContact O-CB 3.03Å; V682-H686 PolarHBondContact O-N 3.18Å
683	K	73.8	Confident	63.2	Low	43 Å²	43	82.6 Å²	82.6	19%	0.187	43%	0.429	C	S	.	.	H	α-helix	trans	-60.5	-47.7	170	178.5	-176.6	154.2	169.1	0	112.5	T668 V669 F677 S679 V681 D685 H686 E687	T668-K683 VanDerWaalsContact OG1-CD 3.29Å; T668-K683 WeakPolarHBondContact OG1-CD 3.27Å; V669-K683 VanDerWaalsContact O-CE 3.3Å; V669-K683 WeakPolarHBondContact O-CE 3.22Å; V669-K683 PolarHBondContact O-NZ 3.23Å; F677-K683 HydrophobicContact CB-CB 3.95Å; F677-K683 HydrophobicContact CD2-CB 4.16Å; F677-K683 HydrophobicContact CD2-CG 4.25Å; F677-K683 HydrophobicContact CG-CB 4.14Å; S679-K683 PolarHBondContact O-N 3.38Å; S679-K683 VanDerWaalsContact O-N 3.17Å; V681-K683 PolarHBondContact O-N 2.91Å; V681-K683 VanDerWaalsContact O-N 3.08Å; K683-D685 VanDerWaalsContact C-N 3.34Å; K683-H686 CarbonylContact O-C 3.57Å; K683-H686 PolarHBondContact O-N 3.31Å; K683-E687 VanDerWaalsContact CE-CD 3.47Å; K683-E687 WeakPolarHBondContact CE-OE1 3.31Å; K683-E687 HydrophobicContact CG-CG 4.41Å; K683-E687 IonicContact NZ-OE1 2.73Å; K683-E687 PolarHBondContact NZ-OE1 2.91Å; K683-E687 WeakPolarHBondContact O-CB 3.16Å; K683-E687 WeakPolarHBondContact O-CG 3.32Å; K683-E687 PolarHBondContact O-N 3.48Å
684	K	66.4	Low	62.9	Low	148 Å²	148	90 Å²	90	64%	0.643	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-41.8	178.3	-77.5	-177	172.3	-174.4	0	111.6	P680 V681 H686 E687 A688	P680-K684 PolarHBondContact O-N 2.84Å; V681-K684 WeakPolarHBondContact O-CA 3.44Å; V681-K684 WeakPolarHBondContact O-CB 3.42Å; V681-K684 PolarHBondContact O-N 2.95Å; K684-H686 VanDerWaalsContact C-N 3.29Å; K684-H686 PolarHBondContact O-N 2.75Å; K684-E687 CarbonylContact O-C 3.47Å; K684-E687 WeakPolarHBondContact O-CA 3.29Å; K684-E687 WeakPolarHBondContact O-CB 3.32Å; K684-E687 PolarHBondContact O-N 3.41Å; K684-A688 PolarHBondContact O-N 3.21Å
685	D	70.8	Confident	63.3	Low	89 Å²	89	89.4 Å²	89.4	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-65.5	-37	179.3	-51.3	-35.1	0	0	0	110.8	V681 K683 A688 H689	V681-D685 PolarHBondContact O-N 3.5Å; V681-D685 VanDerWaalsContact O-N 3.12Å; K683-D685 VanDerWaalsContact C-N 3.34Å; D685-A688 PolarHBondContact O-N 3.12Å; D685-H689 PolarHBondContact O-ND1 2.95Å
686	H	70.1	Confident	63.2	Low	47 Å²	47	85.2 Å²	85.2	22%	0.218	42%	0.421	C	S	.	.	H	α-helix	trans	-68.2	-38.6	168.3	-176.5	81.6	0	0	0	112.8	C673 F677 V682 K683 K684 A688 H689 C690	C673-H686 PolarHBondContact SG-NE2 2.97Å; F677-H686 HydrophobicContact CD1-CB 4.48Å; F677-H686 HydrophobicContact CE1-CB 3.76Å; F677-H686 AromaticContact CE1-CG 3.76Å; F677-H686 HydrophobicContact CE2-CB 4.28Å; F677-H686 AromaticContact CE2-CD2 3.71Å; F677-H686 AromaticContact CE2-CG 3.97Å; F677-H686 HydrophobicContact CZ-CB 3.66Å; F677-H686 AromaticContact CZ-CD2 3.36Å; F677-H686 WeakPolarHBondContact CZ-CD2 3.13Å; F677-H686 AromaticContact CZ-CE1 3.96Å; F677-H686 AromaticContact CZ-CG 3.24Å; F677-H686 AromaticContact CZ-ND1 3.64Å; F677-H686 AromaticContact CZ-NE2 3.83Å; V682-H686 WeakPolarHBondContact O-CB 3.03Å; V682-H686 PolarHBondContact O-N 3.18Å; K683-H686 CarbonylContact O-C 3.57Å; K683-H686 PolarHBondContact O-N 3.31Å; K684-H686 VanDerWaalsContact C-N 3.29Å; K684-H686 PolarHBondContact O-N 2.75Å; H686-A688 PolarHBondContact O-N 2.94Å; H686-H689 CarbonylContact O-C 3.56Å; H686-H689 PolarHBondContact O-N 2.83Å; H686-C690 WeakPolarHBondContact O-CA 3.29Å; H686-C690 WeakPolarHBondContact O-CB 3.32Å; H686-C690 PolarHBondContact O-N 3.39Å
687	E	69.9	Low	63.9	Low	37 Å²	37	79.4 Å²	79.4	17%	0.173	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-19.7	175	-76.2	174.8	162	0	0	113.3	P671 Y672 K683 K684 K693	P671-E687 WeakPolarHBondContact CD-OE1 3.3Å; Y672-E687 HydrophobicContact CD2-CG 4.08Å; Y672-E687 HydrophobicContact CE2-CB 4.39Å; Y672-E687 HydrophobicContact CE2-CG 4.01Å; K683-E687 VanDerWaalsContact CE-CD 3.47Å; K683-E687 WeakPolarHBondContact CE-OE1 3.31Å; K683-E687 HydrophobicContact CG-CG 4.41Å; K683-E687 IonicContact NZ-OE1 2.73Å; K683-E687 PolarHBondContact NZ-OE1 2.91Å; K683-E687 WeakPolarHBondContact O-CB 3.16Å; K683-E687 WeakPolarHBondContact O-CG 3.32Å; K683-E687 PolarHBondContact O-N 3.48Å; K684-E687 CarbonylContact O-C 3.47Å; K684-E687 WeakPolarHBondContact O-CA 3.29Å; K684-E687 WeakPolarHBondContact O-CB 3.32Å; K684-E687 PolarHBondContact O-N 3.41Å; E687-K693 WeakPolarHBondContact O-CD 3.4Å; E687-K693 WeakPolarHBondContact O-CE 3.49Å; E687-K693 PolarHBondContact O-NZ 2.91Å
688	A	63.6	Low	63.7	Low	63 Å²	63	85.2 Å²	85.2	52%	0.521	43%	0.43	S	S	.	.	H	α-helix	trans	-70.8	-44.7	166.5	0	0	0	0	0	111.6	K684 D685 H686	K684-A688 PolarHBondContact O-N 3.21Å; D685-A688 PolarHBondContact O-N 3.12Å; H686-A688 PolarHBondContact O-N 2.94Å
689	H	57	Low	64.7	Low	158 Å²	158	86.9 Å²	86.9	73%	0.731	43%	0.426	S	S	*	.	H	α-helix	trans	-99.5	-3	-169.7	-59.3	94.3	0	0	0	115.4	D685 H686 R691	D685-H689 PolarHBondContact O-ND1 2.95Å; H686-H689 CarbonylContact O-C 3.56Å; H686-H689 PolarHBondContact O-N 2.83Å; H689-R691 PolarHBondContact O-N 3.42Å
690	C	66.9	Low	65.5	Low	7 Å²	7	87.3 Å²	87.3	5%	0.047	43%	0.429	C	S	.	.			trans	-66.9	114.2	-173.8	179.3	0	0	0	0	112.4	H686 Y692 K693	H686-C690 WeakPolarHBondContact O-CA 3.29Å; H686-C690 WeakPolarHBondContact O-CB 3.32Å; H686-C690 PolarHBondContact O-N 3.39Å; C690-Y692 PolarHBondContact O-N 2.94Å; C690-Y692 VanDerWaalsContact O-N 3.1Å; C690-K693 VanDerWaalsContact O-CB 3.23Å; C690-K693 WeakPolarHBondContact O-CB 3.34Å; C690-K693 PolarHBondContact O-N 3.5Å
691	R	57.6	Low	65.5	Low	220 Å²	220	90.2 Å²	90.2	83%	0.83	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-54.2	-32.7	179.1	-64.9	-176.1	179.7	-175.8	-0.7	113.4	H689 K693 K694	H689-R691 PolarHBondContact O-N 3.42Å; R691-K693 VanDerWaalsContact C-N 3.29Å; R691-K693 PolarHBondContact O-N 3.23Å; R691-K694 PolarHBondContact O-N 3.35Å
692	Y	56.9	Low	65.3	Low	119 Å²	119	90.7 Å²	90.7	47%	0.467	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-72.3	-17.1	180	-61.9	-81.1	0	0	0	114.2	Y672 C673 C690 K694 L695 T696	Y672-Y692 WeakPolarHBondContact O-CB 3.21Å; C673-Y692 HydrophobicContact CB-CD2 3.58Å; C673-Y692 HydrophobicContact CB-CE2 4.25Å; C673-Y692 HydrophobicContact CB-CG 4.25Å; C690-Y692 PolarHBondContact O-N 2.94Å; C690-Y692 VanDerWaalsContact O-N 3.1Å; Y692-K694 PolarHBondContact O-N 3.22Å; Y692-L695 CarbonylContact O-C 3.44Å; Y692-L695 VanDerWaalsContact O-C 3.26Å; Y692-L695 WeakPolarHBondContact O-CA 3.45Å; Y692-L695 PolarHBondContact O-N 2.94Å; Y692-T696 VanDerWaalsContact O-CG2 3.24Å; Y692-T696 WeakPolarHBondContact O-CG2 3.37Å; Y692-T696 PolarHBondContact O-N 2.99Å
693	K	61.2	Low	64.9	Low	88 Å²	88	90.9 Å²	90.9	38%	0.383	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.9	172.7	-177.1	176.5	174.9	-173.5	0	112.9	Y672 E687 C690 R691 T696	Y672-K693 HydrophobicContact CD2-CB 4.41Å; Y672-K693 HydrophobicContact CE2-CD 4.49Å; Y672-K693 HydrophobicContact CG-CB 4.33Å; E687-K693 WeakPolarHBondContact O-CD 3.4Å; E687-K693 WeakPolarHBondContact O-CE 3.49Å; E687-K693 PolarHBondContact O-NZ 2.91Å; C690-K693 VanDerWaalsContact O-CB 3.23Å; C690-K693 WeakPolarHBondContact O-CB 3.34Å; C690-K693 PolarHBondContact O-N 3.5Å; R691-K693 VanDerWaalsContact C-N 3.29Å; R691-K693 PolarHBondContact O-N 3.23Å; K693-T696 PolarHBondContact O-OG1 3.33Å
694	K	56.9	Low	64.7	Low	190 Å²	190	90.7 Å²	90.7	83%	0.826	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-80.5	-3.6	170.3	-63	-168.6	177.6	-171.7	0	113.2	R691 Y692	R691-K694 PolarHBondContact O-N 3.35Å; Y692-K694 PolarHBondContact O-N 3.22Å
695	L	67.8	Low	64.1	Low	34 Å²	34	93.2 Å²	93.2	18%	0.178	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-121.2	18.8	178.4	-60.8	176.4	0	0	0	111.7	Y692 F704 I710	Y692-L695 CarbonylContact O-C 3.44Å; Y692-L695 VanDerWaalsContact O-C 3.26Å; Y692-L695 WeakPolarHBondContact O-CA 3.45Å; Y692-L695 PolarHBondContact O-N 2.94Å; L695-F704 WeakPolarHBondContact CB-O 3.41Å; L695-F704 WeakPolarHBondContact O-CB 3.38Å; L695-F704 PolarHBondContact O-N 3.28Å; L695-I710 HydrophobicContact CD2-CG2 4.19Å
696	T	62.4	Low	63.8	Low	6 Å²	6	91.7 Å²	91.7	4%	0.037	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-107.6	125.1	173.6	52.9	0	0	0	0	111	Y672 Y692 K693 L698 R702 T703 I710	Y672-T696 HydrophobicContact CD1-CG2 3.58Å; Y672-T696 HydrophobicContact CE1-CG2 4.48Å; Y672-T696 HydrophobicContact CG-CG2 4.33Å; Y692-T696 VanDerWaalsContact O-CG2 3.24Å; Y692-T696 WeakPolarHBondContact O-CG2 3.37Å; Y692-T696 PolarHBondContact O-N 2.99Å; K693-T696 PolarHBondContact O-OG1 3.33Å; T696-L698 PolarHBondContact O-N 2.99Å; T696-R702 VanDerWaalsContact CA-O 3.28Å; T696-R702 WeakPolarHBondContact CA-O 3.5Å; T696-T703 HydrophobicContact CG2-CG2 3.42Å; T696-T703 VanDerWaalsContact CG2-CG2 3.42Å; T696-I710 WeakPolarHBondContact O-CD1 3.28Å
697	C	73.4	Confident	63.3	Low	0 Å²	0	93.4 Å²	93.4	0%	0	45%	0.454	C	S	.	.			trans	-65.6	117.9	171.3	179.6	0	0	0	0	108.4	E699 M701 R702 F704 I710	C697-E699 PolarHBondContact O-N 3.29Å; C697-M701 WeakPolarHBondContact O-CA 3.33Å; C697-M701 PolarHBondContact O-N 3.04Å; C697-R702 PolarHBondContact N-O 3.32Å; C697-F704 HydrophobicContact CB-CE2 4.16Å; C697-I710 HydrophobicContact CB-CD1 4.38Å; C697-I710 HydrophobicContact CB-CG1 4.38Å
698	L	66.3	Low	63	Low	150 Å²	150	97.1 Å²	97.1	79%	0.785	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24	-175.5	-63.7	174.9	0	0	0	112.6	T696	T696-L698 PolarHBondContact O-N 2.99Å
699	E	67.6	Low	63.1	Low	146 Å²	146	95.7 Å²	95.7	68%	0.682	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-28	-175	-155.6	-177.6	133.2	0	0	113.4	C697 H718	C697-E699 PolarHBondContact O-N 3.29Å; E699-H718 IonicContact OE1-CE1 3.49Å; E699-H718 IonicContact OE1-CG 2.67Å; E699-H718 IonicContact OE1-ND1 2.86Å; E699-H718 PolarHBondContact OE1-ND1 2.87Å; E699-H718 IonicContact OE2-CG 2.71Å; E699-H718 IonicContact OE2-ND1 3.84Å; E699-H718 PolarHBondContact OE2-ND1 2.82Å
700	C	70.1	Confident	63.8	Low	47 Å²	47	89 Å²	89	32%	0.318	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	1.2	179.8	76.6	0	0	0	0	114.6	R702 H713	C700-R702 PolarHBondContact O-N 3.03Å; C700-R702 VanDerWaalsContact SG-CG 3.59Å; C700-H713 PolarHBondContact SG-NE2 3.29Å
701	M	62.5	Low	63.9	Low	142 Å²	142	95.4 Å²	95.4	70%	0.7	45%	0.449	S	S	*	.			trans	58.4	12.1	179.7	-60.6	172.1	58.7	0	0	116.2	C697	C697-M701 WeakPolarHBondContact O-CA 3.33Å; C697-M701 PolarHBondContact O-N 3.04Å
702	R	63.7	Low	64.1	Low	99 Å²	99	89.8 Å²	89.8	37%	0.374	43%	0.428	S	S	.	.			trans	-70.3	135.7	175.8	-69.6	179.5	-178.7	-166.3	3.7	111.4	T524 T696 C697 C700 F704	T524-R702 PolarHBondContact O-NH1 2.65Å; T696-R702 VanDerWaalsContact CA-O 3.28Å; T696-R702 WeakPolarHBondContact CA-O 3.5Å; C697-R702 PolarHBondContact N-O 3.32Å; C700-R702 PolarHBondContact O-N 3.03Å; C700-R702 VanDerWaalsContact SG-CG 3.59Å; R702-F704 HydrophobicContact CB-CE2 3.53Å; R702-F704 HydrophobicContact CB-CZ 3.72Å; R702-F704 WeakPolarHBondContact O-CD2 3.23Å; R702-F704 VanDerWaalsContact O-CE2 3.29Å; R702-F704 WeakPolarHBondContact O-CE2 3.36Å
703	T	58.9	Low	64.8	Low	76 Å²	76	84.7 Å²	84.7	47%	0.466	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-91.2	136.5	175.9	50.7	0	0	0	0	111.4	Y672 T696	Y672-T703 WeakPolarHBondContact O-CG2 3.48Å; T696-T703 HydrophobicContact CG2-CG2 3.42Å; T696-T703 VanDerWaalsContact CG2-CG2 3.42Å
704	F	69.8	Low	65	Low	38 Å²	38	84.3 Å²	84.3	17%	0.167	41%	0.408	C	S	.	.			trans	-122	163	-178.5	-66.4	-83.7	0	0	0	111.9	L695 C697 R702 S709 I710 H713	L695-F704 WeakPolarHBondContact CB-O 3.41Å; L695-F704 WeakPolarHBondContact O-CB 3.38Å; L695-F704 PolarHBondContact O-N 3.28Å; C697-F704 HydrophobicContact CB-CE2 4.16Å; R702-F704 HydrophobicContact CB-CE2 3.53Å; R702-F704 HydrophobicContact CB-CZ 3.72Å; R702-F704 WeakPolarHBondContact O-CD2 3.23Å; R702-F704 VanDerWaalsContact O-CE2 3.29Å; R702-F704 WeakPolarHBondContact O-CE2 3.36Å; F704-S709 WeakPolarHBondContact CD1-O 3.35Å; F704-I710 HydrophobicContact CB-CB 3.99Å; F704-I710 HydrophobicContact CD2-CB 3.74Å; F704-I710 HydrophobicContact CD2-CG1 4.09Å; F704-I710 HydrophobicContact CG-CB 3.92Å; F704-H713 HydrophobicContact CE1-CB 3.78Å; F704-H713 AromaticContact CE1-CG 3.93Å; F704-H713 HydrophobicContact CE2-CB 4.23Å; F704-H713 AromaticContact CE2-CD2 3.31Å; F704-H713 WeakPolarHBondContact CE2-CD2 3.46Å; F704-H713 AromaticContact CE2-CG 3.92Å; F704-H713 HydrophobicContact CZ-CB 3.59Å; F704-H713 AromaticContact CZ-CD2 3.11Å; F704-H713 WeakPolarHBondContact CZ-CD2 3.2Å; F704-H713 AromaticContact CZ-CG 3.28Å; F704-H713 AromaticContact CZ-NE2 3.78Å
705	K	52.3	Low	65.4	Low	202 Å²	202	77.8 Å²	77.8	88%	0.878	38%	0.383	S	S	*	.	S	Bend	trans	-98.7	-12.8	-176.7	-66.4	-172.8	177.9	-175.2	0	114.1
706	S	64.3	Low	65.2	Low	56 Å²	56	82.4 Å²	82.4	39%	0.392	40%	0.404	S	S	.	.	S	Bend	trans	-151.5	148.8	-178.1	167.5	0	0	0	0	110.5	F708 S709 I710	S706-F708 VanDerWaalsContact C-N 3.25Å; S706-F708 PolarHBondContact O-N 3.13Å; S706-F708 PolarHBondContact OG-N 2.81Å; S706-S709 PolarHBondContact N-OG 2.63Å; S706-S709 VanDerWaalsContact N-OG 3.11Å; S706-S709 PolarHBondContact O-N 2.92Å; S706-S709 PolarHBondContact O-OG 3.3Å; S706-I710 PolarHBondContact O-N 3.28Å
707	S	59.5	Low	65.2	Low	84 Å²	84	86.2 Å²	86.2	59%	0.587	43%	0.427	S	S	*	.	H	α-helix	trans	-54.1	-41.6	175	47.7	0	0	0	0	111.8	S709 I710 W711	S707-S709 VanDerWaalsContact C-N 3.27Å; S707-S709 PolarHBondContact O-N 3.28Å; S707-I710 WeakPolarHBondContact O-CG2 3.3Å; S707-I710 PolarHBondContact O-N 3.24Å; S707-W711 WeakPolarHBondContact O-CB 3.37Å; S707-W711 PolarHBondContact O-N 3.45Å
708	F	64.6	Low	64.7	Low	115 Å²	115	87.8 Å²	87.8	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-30.9	176.2	-176.4	-123.6	0	0	0	112.8	S706 W711 R712	S706-F708 VanDerWaalsContact C-N 3.25Å; S706-F708 PolarHBondContact O-N 3.13Å; S706-F708 PolarHBondContact OG-N 2.81Å; F708-W711 AromaticContact CD2-CE3 3.9Å; F708-W711 HydrophobicContact CD2-CE3 3.9Å; F708-W711 HydrophobicContact CD2-CZ3 4.36Å; F708-W711 AromaticContact CE2-CE3 3.82Å; F708-W711 HydrophobicContact CE2-CE3 3.82Å; F708-W711 AromaticContact CE2-CZ3 3.81Å; F708-W711 HydrophobicContact CE2-CZ3 3.81Å; F708-R712 VanDerWaalsContact CE1-NH2 3.31Å; F708-R712 WeakPolarHBondContact O-CB 3.42Å; F708-R712 PolarHBondContact O-N 3.43Å
709	S	65.4	Low	64.7	Low	32 Å²	32	84.2 Å²	84.2	22%	0.224	42%	0.416	C	S	.	.	H	α-helix	trans	-78.7	-29.5	178.3	57.8	0	0	0	0	114.2	F704 S706 S707 H713	F704-S709 WeakPolarHBondContact CD1-O 3.35Å; S706-S709 PolarHBondContact N-OG 2.63Å; S706-S709 VanDerWaalsContact N-OG 3.11Å; S706-S709 PolarHBondContact O-N 2.92Å; S706-S709 PolarHBondContact O-OG 3.3Å; S707-S709 VanDerWaalsContact C-N 3.27Å; S707-S709 PolarHBondContact O-N 3.28Å; S709-H713 VanDerWaalsContact O-CB 3.28Å; S709-H713 WeakPolarHBondContact O-CB 3.34Å; S709-H713 PolarHBondContact O-N 2.79Å
710	I	71.4	Confident	64.2	Low	17 Å²	17	85.9 Å²	85.9	9%	0.087	42%	0.424	C	S	.	.	H	α-helix	trans	-76	-44	168.7	176.2	175.6	0	0	0	110.9	L695 T696 C697 F704 S706 S707 R712 H713 Q714	L695-I710 HydrophobicContact CD2-CG2 4.19Å; T696-I710 WeakPolarHBondContact O-CD1 3.28Å; C697-I710 HydrophobicContact CB-CD1 4.38Å; C697-I710 HydrophobicContact CB-CG1 4.38Å; F704-I710 HydrophobicContact CB-CB 3.99Å; F704-I710 HydrophobicContact CD2-CB 3.74Å; F704-I710 HydrophobicContact CD2-CG1 4.09Å; F704-I710 HydrophobicContact CG-CB 3.92Å; S706-I710 PolarHBondContact O-N 3.28Å; S707-I710 WeakPolarHBondContact O-CG2 3.3Å; S707-I710 PolarHBondContact O-N 3.24Å; I710-R712 PolarHBondContact O-N 3.49Å; I710-H713 WeakPolarHBondContact O-CB 3.31Å; I710-H713 PolarHBondContact O-N 2.93Å; I710-Q714 HydrophobicContact CG1-CG 4.38Å; I710-Q714 WeakPolarHBondContact O-CG 3.43Å; I710-Q714 PolarHBondContact O-N 2.78Å
711	W	69.3	Low	63.2	Low	143 Å²	143	89.6 Å²	89.6	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-57.1	-50.6	176.2	177.3	84.4	0	0	0	110.9	S707 F708 H713 Q714 V715	S707-W711 WeakPolarHBondContact O-CB 3.37Å; S707-W711 PolarHBondContact O-N 3.45Å; F708-W711 AromaticContact CD2-CE3 3.9Å; F708-W711 HydrophobicContact CD2-CE3 3.9Å; F708-W711 HydrophobicContact CD2-CZ3 4.36Å; F708-W711 AromaticContact CE2-CE3 3.82Å; F708-W711 HydrophobicContact CE2-CE3 3.82Å; F708-W711 AromaticContact CE2-CZ3 3.81Å; F708-W711 HydrophobicContact CE2-CZ3 3.81Å; W711-H713 VanDerWaalsContact C-N 3.32Å; W711-H713 PolarHBondContact O-N 3.47Å; W711-Q714 WeakPolarHBondContact O-CB 3.36Å; W711-Q714 PolarHBondContact O-N 2.79Å; W711-Q714 VanDerWaalsContact O-N 3.09Å; W711-V715 HydrophobicContact CD2-CG2 3.93Å; W711-V715 HydrophobicContact CE3-CG2 4.36Å; W711-V715 HydrophobicContact CG-CG2 4.39Å; W711-V715 HydrophobicContact CH2-CG1 4.34Å; W711-V715 HydrophobicContact CH2-CG2 4.25Å; W711-V715 HydrophobicContact CZ2-CG2 3.81Å; W711-V715 WeakPolarHBondContact O-CB 3.23Å; W711-V715 WeakPolarHBondContact O-CG2 3.27Å; W711-V715 PolarHBondContact O-N 3.26Å
712	R	62.5	Low	62.1	Low	102 Å²	102	90 Å²	90	39%	0.385	44%	0.443	S	S	.	.	H	α-helix	trans	-60.6	-42	177.2	-161	-155.9	-49.4	156.7	3.3	111.8	F708 I710 Q714 V715 E716	F708-R712 VanDerWaalsContact CE1-NH2 3.31Å; F708-R712 WeakPolarHBondContact O-CB 3.42Å; F708-R712 PolarHBondContact O-N 3.43Å; I710-R712 PolarHBondContact O-N 3.49Å; R712-Q714 VanDerWaalsContact C-N 3.32Å; R712-Q714 PolarHBondContact O-N 3.36Å; R712-V715 CarbonylContact O-C 3.59Å; R712-V715 PolarHBondContact O-N 2.97Å; R712-V715 VanDerWaalsContact O-N 3.14Å; R712-E716 VanDerWaalsContact CD-CD 3.45Å; R712-E716 WeakPolarHBondContact CD-OE1 3.45Å; R712-E716 WeakPolarHBondContact CD-OE2 3.5Å; R712-E716 VanDerWaalsContact CG-CD 3.41Å; R712-E716 HydrophobicContact CG-CG 4.07Å; R712-E716 VanDerWaalsContact CG-OE1 3.29Å; R712-E716 WeakPolarHBondContact CG-OE1 3.21Å; R712-E716 VanDerWaalsContact O-CB 3.29Å; R712-E716 WeakPolarHBondContact O-CB 3.48Å; R712-E716 WeakPolarHBondContact O-CG 3.32Å; R712-E716 PolarHBondContact O-N 3Å
713	H	71.6	Confident	60.9	Low	12 Å²	12	93.9 Å²	93.9	6%	0.056	47%	0.467	C	S	.	.	H	α-helix	trans	-61.6	-38	174.8	170.5	54.4	0	0	0	113	C700 F704 S709 I710 W711 V717 H718	C700-H713 PolarHBondContact SG-NE2 3.29Å; F704-H713 HydrophobicContact CE1-CB 3.78Å; F704-H713 AromaticContact CE1-CG 3.93Å; F704-H713 HydrophobicContact CE2-CB 4.23Å; F704-H713 AromaticContact CE2-CD2 3.31Å; F704-H713 WeakPolarHBondContact CE2-CD2 3.46Å; F704-H713 AromaticContact CE2-CG 3.92Å; F704-H713 HydrophobicContact CZ-CB 3.59Å; F704-H713 AromaticContact CZ-CD2 3.11Å; F704-H713 WeakPolarHBondContact CZ-CD2 3.2Å; F704-H713 AromaticContact CZ-CG 3.28Å; F704-H713 AromaticContact CZ-NE2 3.78Å; S709-H713 VanDerWaalsContact O-CB 3.28Å; S709-H713 WeakPolarHBondContact O-CB 3.34Å; S709-H713 PolarHBondContact O-N 2.79Å; I710-H713 WeakPolarHBondContact O-CB 3.31Å; I710-H713 PolarHBondContact O-N 2.93Å; W711-H713 VanDerWaalsContact C-N 3.32Å; W711-H713 PolarHBondContact O-N 3.47Å; H713-V717 VanDerWaalsContact ND1-CG2 3.33Å; H713-V717 WeakPolarHBondContact ND1-CG2 3.29Å; H713-V717 VanDerWaalsContact O-CB 3.23Å; H713-V717 WeakPolarHBondContact O-CB 3.32Å; H713-V717 WeakPolarHBondContact O-CG2 3.44Å; H713-V717 PolarHBondContact O-N 3.22Å; H713-H718 AromaticContact CE1-NE2 3.92Å; H713-H718 AromaticContact NE2-CD2 3.92Å; H713-H718 AromaticContact NE2-NE2 3.63Å
714	Q	65.4	Low	60	Low	80 Å²	80	95.7 Å²	95.7	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-67.2	-41.4	172.6	-69.8	170.6	-59.5	0	0	111.1	I710 W711 R712 E716 H718 N719	I710-Q714 HydrophobicContact CG1-CG 4.38Å; I710-Q714 WeakPolarHBondContact O-CG 3.43Å; I710-Q714 PolarHBondContact O-N 2.78Å; W711-Q714 WeakPolarHBondContact O-CB 3.36Å; W711-Q714 PolarHBondContact O-N 2.79Å; W711-Q714 VanDerWaalsContact O-N 3.09Å; R712-Q714 VanDerWaalsContact C-N 3.32Å; R712-Q714 PolarHBondContact O-N 3.36Å; Q714-E716 PolarHBondContact O-N 3.37Å; Q714-H718 CarbonylContact O-C 3.54Å; Q714-H718 WeakPolarHBondContact O-CA 3.35Å; Q714-H718 WeakPolarHBondContact O-CB 3.03Å; Q714-H718 PolarHBondContact O-N 3.38Å; Q714-N719 PolarHBondContact O-N 3.12Å
715	V	64.8	Low	58.3	Low	52 Å²	52	97.1 Å²	97.1	32%	0.315	50%	0.503	S	S	.	.	H	α-helix	trans	-72.5	-21.1	179.5	170.7	0	0	0	0	114	W711 R712 N719	W711-V715 HydrophobicContact CD2-CG2 3.93Å; W711-V715 HydrophobicContact CE3-CG2 4.36Å; W711-V715 HydrophobicContact CG-CG2 4.39Å; W711-V715 HydrophobicContact CH2-CG1 4.34Å; W711-V715 HydrophobicContact CH2-CG2 4.25Å; W711-V715 HydrophobicContact CZ2-CG2 3.81Å; W711-V715 WeakPolarHBondContact O-CB 3.23Å; W711-V715 WeakPolarHBondContact O-CG2 3.27Å; W711-V715 PolarHBondContact O-N 3.26Å; R712-V715 CarbonylContact O-C 3.59Å; R712-V715 PolarHBondContact O-N 2.97Å; R712-V715 VanDerWaalsContact O-N 3.14Å; V715-N719 WeakPolarHBondContact O-CB 3.23Å; V715-N719 PolarHBondContact O-ND2 3.13Å
716	E	64.4	Low	57.4	Low	132 Å²	132	97.1 Å²	97.1	62%	0.617	50%	0.504	S	S	*	.	H	α-helix	trans	-102.5	-28	177.9	-71	170.2	164.8	0	0	113.5	R712 Q714	R712-E716 VanDerWaalsContact CD-CD 3.45Å; R712-E716 WeakPolarHBondContact CD-OE1 3.45Å; R712-E716 WeakPolarHBondContact CD-OE2 3.5Å; R712-E716 VanDerWaalsContact CG-CD 3.41Å; R712-E716 HydrophobicContact CG-CG 4.07Å; R712-E716 VanDerWaalsContact CG-OE1 3.29Å; R712-E716 WeakPolarHBondContact CG-OE1 3.21Å; R712-E716 VanDerWaalsContact O-CB 3.29Å; R712-E716 WeakPolarHBondContact O-CB 3.48Å; R712-E716 WeakPolarHBondContact O-CG 3.32Å; R712-E716 PolarHBondContact O-N 3Å; Q714-E716 PolarHBondContact O-N 3.37Å
717	V	60.9	Low	55.7	Low	85 Å²	85	102.4 Å²	102.4	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-117.9	-23.7	-171.4	-172.3	0	0	0	0	113.7	H713	H713-V717 VanDerWaalsContact ND1-CG2 3.33Å; H713-V717 WeakPolarHBondContact ND1-CG2 3.29Å; H713-V717 VanDerWaalsContact O-CB 3.23Å; H713-V717 WeakPolarHBondContact O-CB 3.32Å; H713-V717 WeakPolarHBondContact O-CG2 3.44Å; H713-V717 PolarHBondContact O-N 3.22Å
718	H	64.4	Low	54.3	Low	33 Å²	33	107.3 Å²	107.3	15%	0.153	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	0.3	-176.6	-64.2	-81.5	0	0	0	113.4	E699 H713 Q714 Q720	E699-H718 IonicContact OE1-CE1 3.49Å; E699-H718 IonicContact OE1-CG 2.67Å; E699-H718 IonicContact OE1-ND1 2.86Å; E699-H718 PolarHBondContact OE1-ND1 2.87Å; E699-H718 IonicContact OE2-CG 2.71Å; E699-H718 IonicContact OE2-ND1 3.84Å; E699-H718 PolarHBondContact OE2-ND1 2.82Å; H713-H718 AromaticContact CE1-NE2 3.92Å; H713-H718 AromaticContact NE2-CD2 3.92Å; H713-H718 AromaticContact NE2-NE2 3.63Å; Q714-H718 CarbonylContact O-C 3.54Å; Q714-H718 WeakPolarHBondContact O-CA 3.35Å; Q714-H718 WeakPolarHBondContact O-CB 3.03Å; Q714-H718 PolarHBondContact O-N 3.38Å; H718-Q720 PolarHBondContact O-N 2.8Å
719	N	66.3	Low	52.6	Low	75 Å²	75	109.8 Å²	109.8	40%	0.401	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	37	-168.9	-161	18.1	0	0	0	115.4	Q714 V715	Q714-N719 PolarHBondContact O-N 3.12Å; V715-N719 WeakPolarHBondContact O-CB 3.23Å; V715-N719 PolarHBondContact O-ND2 3.13Å
720	Q	55.4	Low	50.8	Low	182 Å²	182	115.7 Å²	115.7	85%	0.85	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-2.1	175.1	-68.2	-176.7	-16.3	0	0	112.5	H718	H718-Q720 PolarHBondContact O-N 2.8Å
721	N	49.8	Very low	48.5	Very low	125 Å²	125	120.4 Å²	120.4	67%	0.668	61%	0.606	S	S	*	*	S	Bend	trans	-149.2	31.1	-179.2	-79.6	-63.4	0	0	0	115.1
722	M	40	Very low	46.4	Very low	150 Å²	150	122.3 Å²	122.3	74%	0.739	62%	0.618	S	S	*	*	S	Bend	trans	-105.3	-2.2	176.9	-72.2	-89.2	72.9	0	0	115.2
723	M	36.9	Very low	44.6	Very low	180 Å²	180	126.1 Å²	126.1	89%	0.887	64%	0.64	S	S	*	*	S	Bend	trans	-108.9	18.1	177.5	-69.6	-61.6	-129.4	0	0	114
724	T	41.7	Very low	42.7	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	67%	0.671	S	S	*	*	S	Bend	trans	-135.4	72.6	176.8	53.8	0	0	0	0	109.9
725	G	32.9	Very low	40.8	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	69%	0.689	S	S	*	*	S	Bend	trans	-166.5	86.6	-173.9	0	0	0	0	0	114.3
726	K	33.3	Very low	38.9	Very low	203 Å²	203	138.1 Å²	138.1	88%	0.883	71%	0.707	S	S	*	*			trans	73.2	94.8	174.5	-52.1	177.9	-179.8	-175.5	0	115.9
727	N	30.1	Very low	37	Very low	167 Å²	167	137.9 Å²	137.9	89%	0.893	71%	0.71	S	S	*	*			trans	-163.9	68.3	131.3	-102.3	-2.9	0	0	0	110.8
728	Q	30	Very low	35.4	Very low	186 Å²	186	142 Å²	142	87%	0.869	72%	0.723	S	S	*	*			trans	-166.5	123.2	145.9	-111.4	166.9	6.4	0	0	110.1
729	I	28.7	Very low	33.7	Very low	168 Å²	168	149.6 Å²	149.6	86%	0.862	76%	0.759	S	S	*	*			trans	-120.1	148.9	153.1	-66.8	174.6	0	0	0	103.5
730	H	26.1	Very low	31.7	Very low	156 Å²	156	150.4 Å²	150.4	72%	0.722	78%	0.776	S	S	*	*			trans	76.1	136.8	177.6	-146.4	-93	0	0	0	114.5
731	L	23.9	Very low	31.2	Very low	115 Å²	115	146.6 Å²	146.6	60%	0.602	77%	0.767	S	S	*	*			cis	-165.7	167	-31	-151	72.9	0	0	0	108.6
732	K	24.7	Very low	29.9	Very low	183 Å²	183	148 Å²	148	80%	0.796	77%	0.774	S	S	*	*			trans	59.4	117.8	156.5	-80	177.2	-178.5	-176.5	0	119.2
733	Q	25.8	Very low	29.2	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	77%	0.768	S	S	*	*			trans	-67.4	160.4	134.9	-61.4	172.4	-66.5	0	0	108.7
734	P	31.6	Very low	28.6	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	77%	0.767	S	S	*	*				-140.8	139.6	90.8	36.3	-21.7	0	0	0	115.8
735	E	24.8	Very low	27.8	Very low	161 Å²	161	141.7 Å²	141.7	75%	0.752	77%	0.769	S	S	*	*			trans	60.6	152.4	130.5	-59.3	-179.5	178.8	0	0	124.2
736	N	24.8	Very low	27.5	Very low	127 Å²	127	146.4 Å²	146.4	68%	0.679	77%	0.774	S	S	*	*			trans	81.9	94.3	156.2	-58.4	-30.8	0	0	0	121.2
737	N	24.8	Very low	27.3	Very low	126 Å²	126	144.4 Å²	144.4	67%	0.674	77%	0.768	S	S	*	*				72.4	144.8	111.8	-71.7	23.5	0	0	0	124.4
738	E	27.7	Very low	27.9	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	75%	0.753	S	S	*	*			trans	82.1	164.6	145.5	-80.8	154.2	-132.7	0	0	120.6
739	E	27.8	Very low	27.7	Very low	194 Å²	194	142.2 Å²	142.2	91%	0.907	75%	0.752	S	S	*	*			trans	-100.8	179.1	-152	-71.9	170.6	66.3	0	0	113.7
740	A	24.1	Very low	27.5	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	74%	0.738	S	S	*	*			trans	-79.6	-169.8	175.4	0	0	0	0	0	111.2
741	P	45.1	Very low	27.5	Very low	101 Å²	101	137.5 Å²	137.5	66%	0.656	74%	0.74	S	S	*	*			cis	-136.1	-168	-3.6	41.6	-22.5	0	0	0	114.4
742	D	22.3	Very low	27.9	Very low	155 Å²	155	138.7 Å²	138.7	83%	0.829	74%	0.743	S	S	*	*			trans	62.8	159.5	150.3	-74.7	-29.1	0	0	0	119.6
743	A	25.4	Very low	28.3	Very low	74 Å²	74	135.8 Å²	135.8	61%	0.612	74%	0.743	S	S	*	*			cis	-159.6	170	-17.8	0	0	0	0	0	110.5
744	L	24.6	Very low	28.4	Very low	165 Å²	165	131.1 Å²	131.1	86%	0.864	73%	0.73	S	S	*	*			trans	21.3	124.6	149.1	-55.8	168.7	0	0	0	118.4
745	G	25.4	Very low	28.2	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	74%	0.735	S	S	*	*				120.2	173.7	70.5	0	0	0	0	0	109.5
746	E	27.3	Very low	28.6	Very low	167 Å²	167	130.4 Å²	130.4	78%	0.78	74%	0.737	S	S	*	*			cis	-154.2	-154.5	-8.6	-67	-158.7	99.9	0	0	108.9
747	E	27.4	Very low	28.6	Very low	161 Å²	161	127.7 Å²	127.7	75%	0.752	74%	0.739	S	S	*	*			trans	92.1	147.3	154.7	-60.7	-62.8	84.6	0	0	121
748	P	43.5	Very low	28.6	Very low	89 Å²	89	129.8 Å²	129.8	58%	0.578	75%	0.75	S	S	*	*				-142	170.1	-59.9	35.7	-17.4	0	0	0	114.7
749	Y	26.2	Very low	28.3	Very low	217 Å²	217	130.9 Å²	130.9	85%	0.851	75%	0.752	S	S	*	*			trans	-179.7	137	134.1	-120.6	-116.1	0	0	0	115.4
750	S	24.9	Very low	28.8	Very low	83 Å²	83	126 Å²	126	58%	0.58	74%	0.737	S	S	*	*			trans	4.6	158.5	146.1	-64.4	0	0	0	0	123.8
751	D	25.2	Very low	28.8	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	74%	0.738	S	S	*	*			cis	-168	162.1	-17.2	-106	-55.3	0	0	0	111.5
752	E	32.4	Very low	27.8	Very low	141 Å²	141	130.1 Å²	130.1	66%	0.659	74%	0.736	S	S	*	*			trans	-18.6	166.8	167.8	-80.6	-64.7	102.6	0	0	121.9	S754	E752-S754 PolarHBondContact OE2-N 2.82Å; E752-S754 PolarHBondContact OE2-OG 3.32Å
753	P	33.6	Very low	27.9	Very low	122 Å²	122	129.4 Å²	129.4	79%	0.792	73%	0.73	S	S	*	*			cis	-132.2	170	18.5	38.9	-19.6	0	0	0	119.9
754	S	27.3	Very low	27.7	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	73%	0.733	S	S	*	*			trans	-84.1	179.7	-172.4	41	0	0	0	0	117.3	E752	E752-S754 PolarHBondContact OE2-N 2.82Å; E752-S754 PolarHBondContact OE2-OG 3.32Å
755	V	26.8	Very low	27.8	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	73%	0.732	S	S	*	*			trans	81.8	136	166.9	-179.1	0	0	0	0	118.1
756	P	33.8	Very low	27.8	Very low	121 Å²	121	133.7 Å²	133.7	79%	0.786	73%	0.726	S	S	*	*			cis	-122.8	168.1	-31.3	33.9	-15.5	0	0	0	113
757	G	24.9	Very low	27.6	Very low	70 Å²	70	132.8 Å²	132.8	72%	0.722	73%	0.727	S	S	*	*			trans	-90.4	167.4	-176.3	0	0	0	0	0	116.3
758	N	24.2	Very low	28.1	Very low	169 Å²	169	130.4 Å²	130.4	90%	0.904	73%	0.728	S	S	*	*			trans	-161.3	141	150.5	-108.4	-31.5	0	0	0	112.5
759	F	22.6	Very low	27.8	Very low	194 Å²	194	132.1 Å²	132.1	85%	0.851	74%	0.74	S	S	*	*			trans	-71	177.3	156	-75.9	-86	0	0	0	108.8
760	P	38.2	Very low	27.8	Very low	92 Å²	92	124.9 Å²	124.9	60%	0.597	73%	0.731	S	S	*	*			cis	-152.7	-167.3	25.3	37.3	-10.9	0	0	0	117.3
761	E	24.3	Very low	29.1	Very low	164 Å²	164	127 Å²	127	77%	0.766	74%	0.742	S	S	*	*			trans	67.3	157	135	-89.5	-179.2	-107.7	0	0	121.9
762	N	23.1	Very low	29.5	Very low	115 Å²	115	125.7 Å²	125.7	62%	0.615	74%	0.742	S	S	*	*			cis	-160.7	-178.2	-14.7	-147.2	-28.2	0	0	0	109.1
763	I	24.2	Very low	29.3	Very low	140 Å²	140	126.7 Å²	126.7	72%	0.718	75%	0.749	S	S	*	*			trans	62.5	112.5	151.9	-68.5	160.2	0	0	0	116.2
764	S	21.4	Very low	29.1	Very low	95 Å²	95	128.5 Å²	128.5	66%	0.664	74%	0.741	S	S	*	*				90.8	117.4	55.6	171.2	0	0	0	0	115.3
765	Y	27.5	Very low	29.1	Very low	217 Å²	217	129.5 Å²	129.5	85%	0.851	74%	0.74	S	S	*	*			trans	74.5	131.7	157.6	-98.7	-92.4	0	0	0	121.9
766	S	26.1	Very low	29.4	Very low	90 Å²	90	127.9 Å²	127.9	63%	0.629	73%	0.734	S	S	*	*			trans	62.9	153.1	153.1	-85.8	0	0	0	0	119.6
767	D	22	Very low	29.1	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	74%	0.735	S	S	*	*			cis	-135.3	167.4	1.9	-107.1	-29.4	0	0	0	112.3
768	S	37.5	Very low	29.2	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	74%	0.735	S	S	*	*			trans	-77.7	156.8	165.8	-59.1	0	0	0	0	110.9
769	P	37.8	Very low	29.4	Very low	126 Å²	126	130.6 Å²	130.6	82%	0.818	73%	0.728	S	S	*	*				-142	156.9	103.4	38.3	-26.4	0	0	0	114.8
770	G	25.2	Very low	29.7	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	72%	0.721	S	S	*	*			trans	-100.1	-161.1	154.3	0	0	0	0	0	110.3
771	P	52.7	Low	30	Very low	126 Å²	126	127 Å²	127	82%	0.818	73%	0.73	S	S	*	*			cis	-112.4	-148.7	2	40.5	-23.5	0	0	0	110
772	P	33.6	Very low	30	Very low	116 Å²	116	129.6 Å²	129.6	75%	0.753	73%	0.734	S	S	*	*				-135.7	179.6	50.3	43.6	-26.3	0	0	0	115.5
773	M	27.9	Very low	30.5	Very low	162 Å²	162	129.3 Å²	129.3	80%	0.798	74%	0.736	S	S	*	*			trans	-99.9	-174.1	154	-59.5	-154	-54.1	0	0	107.8
774	Y	29.6	Very low	31.1	Very low	160 Å²	160	127.6 Å²	127.6	63%	0.627	73%	0.734	S	S	*	*			cis	-169.6	150.2	24.6	-172.3	-124.2	0	0	0	110.2
775	D	28.6	Very low	31.6	Very low	105 Å²	105	130.5 Å²	130.5	56%	0.561	74%	0.737	S	S	*	*			trans	58.6	169.6	159.2	-82	20.8	0	0	0	118.4
776	S	32.2	Very low	31.6	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	73%	0.732	S	S	*	*			cis	-162.4	158.9	43.3	-121.6	0	0	0	0	117.2
777	E	28.3	Very low	31.6	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	74%	0.738	S	S	*	*			trans	71.4	178.6	147.5	-60.2	-54.1	97.6	0	0	121.9
778	D	25.6	Very low	32	Very low	136 Å²	136	126.8 Å²	126.8	73%	0.727	73%	0.731	S	S	*	*			trans	-125.9	167.5	-143.3	-159.1	-36.8	0	0	0	112.8
779	S	29.4	Very low	31.7	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	74%	0.738	S	S	*	*			trans	73.5	178	150.7	-77.1	0	0	0	0	119.1
780	S	28.9	Very low	31.1	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	74%	0.739	S	S	*	*			trans	-118.7	135	-137.6	59.8	0	0	0	0	116.3
781	S	43.2	Very low	31.4	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	74%	0.744	S	S	*	*			trans	55.2	84.6	140.8	66	0	0	0	0	118.7
782	Y	24.9	Very low	30.4	Very low	218 Å²	218	135.7 Å²	135.7	86%	0.855	75%	0.745	S	S	*	*			trans	-152.5	152.7	133.8	-154.3	-116.9	0	0	0	110
783	V	34.9	Very low	30	Very low	109 Å²	109	134.1 Å²	134.1	66%	0.661	75%	0.75	S	S	*	*			trans	-122	141.9	166.7	-133.7	0	0	0	0	105.9
784	P	35.1	Very low	30.1	Very low	103 Å²	103	135.6 Å²	135.6	67%	0.669	75%	0.752	S	S	*	*				-139.6	173.7	85.6	31.5	-13.1	0	0	0	115.1
785	E	33.6	Very low	29.7	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	77%	0.765	S	S	*	*			trans	-57.6	168.4	166.1	-58.3	87	162.3	0	0	111.4
786	D	26.9	Very low	29.7	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	77%	0.771	S	S	*	*			cis	-170.3	178.1	32.6	-158.5	-6.1	0	0	0	112.5
787	L	26.3	Very low	29.3	Very low	142 Å²	142	138.4 Å²	138.4	74%	0.743	78%	0.777	S	S	*	*			trans	74.3	95.2	157.3	-56.3	-178.4	0	0	0	122.7
788	S	29.3	Very low	29.3	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	77%	0.772	S	S	*	*				72.4	124.5	110.3	-149.1	0	0	0	0	124.5
789	M	31.1	Very low	29.4	Very low	187 Å²	187	138.9 Å²	138.9	92%	0.921	77%	0.773	S	S	*	*			trans	60.2	123.2	143.6	-70.4	169.6	60.3	0	0	122.3
790	G	26.1	Very low	29.2	Very low	81 Å²	81	142.5 Å²	142.5	84%	0.835	78%	0.778	S	S	*	*			trans	-174.1	118.4	162.9	0	0	0	0	0	114.2
791	H	31.7	Very low	30.4	Very low	168 Å²	168	143 Å²	143	78%	0.778	78%	0.779	S	S	*	*			trans	-96.2	150.4	-172.6	-102.9	-105.8	0	0	0	114.6
792	H	30.4	Very low	29.5	Very low	179 Å²	179	145.2 Å²	145.2	83%	0.829	78%	0.781	S	S	*	*			trans	58.5	136	152.9	-61.1	-53.4	0	0	0	121.4
793	G	26.5	Very low	30	Very low	84 Å²	84	143.4 Å²	143.4	87%	0.866	78%	0.781	S	S	*	*			trans	174.4	127.6	161.3	0	0	0	0	0	112.6
794	K	28.4	Very low	29.7	Very low	193 Å²	193	147.1 Å²	147.1	84%	0.839	79%	0.79	S	S	*	*			trans	-135.1	135	-178.6	178.1	-171.3	-176.5	-177	0	109.3
795	L	21.8	Very low	29.5	Very low	171 Å²	171	145.8 Å²	145.8	90%	0.895	79%	0.788	S	S	*	*			trans	-167.7	178.9	147.2	-106.9	163.3	0	0	0	111.7
796	V	29.3	Very low	29.1	Very low	114 Å²	114	144.6 Å²	144.6	69%	0.691	79%	0.791	S	S	*	*			trans	-143.7	159.7	-155.8	176.7	0	0	0	0	110
797	V	23.3	Very low	29	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	79%	0.79	S	S	*	*			trans	141.3	146.7	146.5	160.6	0	0	0	0	111.4
798	K	29.1	Very low	29.1	Very low	162 Å²	162	142.7 Å²	142.7	70%	0.704	79%	0.786	S	S	*	*			cis	-174.1	161.1	-36.2	-162.9	-161.8	163.1	-157.1	0	107.4
799	E	28	Very low	29.1	Very low	159 Å²	159	147.2 Å²	147.2	74%	0.743	79%	0.788	S	S	*	*			trans	90.2	160.2	158.5	-49.9	-162.6	150.4	0	0	120.2
800	E	24.7	Very low	28.9	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	78%	0.783	S	S	*	*			trans	-107.6	-159.7	-168.6	-60.7	178.8	97.5	0	0	110.6
801	P	54.2	Low	28.9	Very low	113 Å²	113	145 Å²	145	73%	0.734	78%	0.778	S	S	*	*				-122.4	-171.3	-67.2	33.9	-17.6	0	0	0	111.3
802	L	23.7	Very low	28.7	Very low	155 Å²	155	142.7 Å²	142.7	81%	0.812	78%	0.78	S	S	*	*				164.1	144.6	121.2	-169	65.8	0	0	0	110.8
803	E	35.1	Very low	28.6	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	78%	0.783	S	S	*	*			trans	-106.7	140.8	169.6	-65	-173.8	163.9	0	0	111.2
804	E	29.6	Very low	28.7	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	78%	0.784	S	S	*	*			trans	-170.7	153.3	159.5	-106.9	173.5	-153.9	0	0	108.3
805	A	30.5	Very low	28.9	Very low	75 Å²	75	138.7 Å²	138.7	62%	0.62	78%	0.781	S	S	*	*			cis	-172.1	-174.2	-29.7	0	0	0	0	0	108.7
806	V	24.3	Very low	29.4	Very low	131 Å²	131	140.5 Å²	140.5	79%	0.794	78%	0.782	S	S	*	*			trans	55	116	158.9	-85.9	0	0	0	0	120
807	S	25.1	Very low	29.4	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	79%	0.793	S	S	*	*				79.2	150.6	86.7	90.7	0	0	0	0	115
808	E	27.9	Very low	29.7	Very low	140 Å²	140	137.5 Å²	137.5	65%	0.654	79%	0.79	S	S	*	*			cis	-165.3	166.3	-4.3	-132	-173.6	-169.1	0	0	111
809	R	30.3	Very low	29.9	Very low	189 Å²	189	137.7 Å²	137.7	71%	0.713	80%	0.798	S	S	*	*			trans	65	136.5	153.6	-79.2	-179.9	-125.2	-131.2	-9.7	124.6
810	D	26	Very low	30.2	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	80%	0.796	S	S	*	*			trans	58.3	140.5	137.3	-55.9	-31.8	0	0	0	124.1
811	G	26.9	Very low	30.6	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	80%	0.797	S	S	*	*			trans	119.8	76.4	141.5	0	0	0	0	0	120.4
812	S	27.4	Very low	30.1	Very low	120 Å²	120	138.5 Å²	138.5	84%	0.839	79%	0.792	S	S	*	*			trans	60.8	132.5	141.4	-59.2	0	0	0	0	123.6
813	E	27.9	Very low	31.1	Very low	189 Å²	189	134 Å²	134	88%	0.883	78%	0.783	S	S	*	*			trans	60	101	147.4	-58	-155.8	123.5	0	0	123.3
814	A	29.6	Very low	32.2	Very low	107 Å²	107	128.5 Å²	128.5	88%	0.884	76%	0.761	S	S	*	*				57.8	97.4	124.2	0	0	0	0	0	121.9
815	G	31.7	Very low	33.5	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	74%	0.744	S	S	*	*			trans	-171.4	110.2	160.6	0	0	0	0	0	117.4
816	K	32.3	Very low	34.6	Very low	210 Å²	210	126.1 Å²	126.1	91%	0.913	74%	0.738	S	S	*	*			trans	30	110.3	155.2	-65.1	178	179.2	175	0	121.2
817	A	30.9	Very low	36.6	Very low	112 Å²	112	119.9 Å²	119.9	93%	0.926	70%	0.701	S	S	*	*			trans	26.2	125.2	131.9	0	0	0	0	0	122.1
818	G	28.1	Very low	38	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	71%	0.706	S	S	*	*			trans	-163.8	159.4	161.6	0	0	0	0	0	111.6
819	L	33.8	Very low	39	Very low	166 Å²	166	124.7 Å²	124.7	87%	0.869	71%	0.709	S	S	*	*			trans	-33.4	132.6	179.7	-87.6	41.8	0	0	0	115.3
820	E	33.3	Very low	40	Very low	149 Å²	149	117.9 Å²	117.9	70%	0.696	69%	0.69	S	S	*	*				66.8	98.2	70.4	-77.8	-90.2	104.7	0	0	114	H822	E820-H822 IonicContact OE2-CE1 2.72Å; E820-H822 PolarHBondContact OE2-CE1 3.35Å
821	E	34.3	Very low	41.5	Very low	189 Å²	189	113.1 Å²	113.1	88%	0.883	68%	0.677	S	S	*	*				-145.8	165.7	122.5	-143.1	-178.5	-165.2	0	0	109.7	G823	E821-G823 PolarHBondContact O-N 2.86Å
822	H	44.1	Very low	42.8	Very low	135 Å²	135	113.5 Å²	113.5	63%	0.625	66%	0.662	S	S	*	*			trans	-87.3	112.2	-153.9	-61.6	-21.4	0	0	0	114.6	E820 V824	E820-H822 IonicContact OE2-CE1 2.72Å; E820-H822 PolarHBondContact OE2-CE1 3.35Å; H822-V824 VanDerWaalsContact C-N 3.25Å; H822-V824 HydrophobicContact CB-CG2 4.47Å; H822-V824 PolarHBondContact O-N 3.39Å
823	G	43.9	Very low	44.3	Very low	60 Å²	60	113.4 Å²	113.4	62%	0.619	65%	0.651	S	S	*	*			trans	-72.6	66.3	175.3	0	0	0	0	0	114.6	E821	E821-G823 PolarHBondContact O-N 2.86Å
824	V	58.6	Low	46.2	Very low	66 Å²	66	106.4 Å²	106.4	40%	0.4	62%	0.618	S	S	.	*			trans	-63.2	128.4	171.3	-172.4	0	0	0	0	109.7	H822 L833	H822-V824 VanDerWaalsContact C-N 3.25Å; H822-V824 HydrophobicContact CB-CG2 4.47Å; H822-V824 PolarHBondContact O-N 3.39Å; V824-L833 HydrophobicContact CG1-CB 3.71Å; V824-L833 HydrophobicContact CG1-CD2 3.92Å; V824-L833 HydrophobicContact CG1-CG 4.38Å
825	R	56.1	Low	47.7	Very low	135 Å²	135	106.3 Å²	106.3	51%	0.509	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	123.3	-175.6	-63.1	-169.9	-178.9	-146.8	-6.5	111.8	F834 L840	R825-F834 PolarHBondContact N-O 3.38Å; R825-F834 PolarHBondContact O-N 3.32Å; R825-L840 HydrophobicContact CB-CD2 3.94Å
826	P	53.9	Low	49.1	Very low	75 Å²	75	104.5 Å²	104.5	49%	0.487	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.7	147.1	173.4	29	-33	0	0	0	111.1	N832 L833	P826-N832 CarbonylContact C-O 3.59Å; P826-N832 WeakPolarHBondContact CA-O 3.41Å; P826-L833 HydrophobicContact CB-CD2 3.8Å; P826-L833 HydrophobicContact CB-CG 4.44Å; P826-L833 HydrophobicContact CG-CD2 4.25Å
827	C	66	Low	50.4	Low	1 Å²	1	101.7 Å²	101.7	1%	0.007	57%	0.57	C	S	.	*			trans	-83.3	112.2	169.1	-175.7	0	0	0	0	110.1	K829 C830 G831 N832 F834 L840	C827-K829 PolarHBondContact O-N 2.85Å; C827-C830 WeakPolarHBondContact CB-SG 3.45Å; C827-C830 PolarHBondContact O-N 3.42Å; C827-G831 PolarHBondContact O-N 3.27Å; C827-N832 PolarHBondContact N-O 2.91Å; C827-F834 HydrophobicContact CB-CD2 4.44Å; C827-F834 HydrophobicContact CB-CE2 4.08Å; C827-L840 HydrophobicContact CB-CD1 3.47Å; C827-L840 VanDerWaalsContact CB-CD1 3.47Å
828	E	55.9	Low	51.9	Low	182 Å²	182	103.6 Å²	103.6	85%	0.85	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.6	-15.5	-178.1	-60.4	169.6	169.3	0	0	115.9
829	K	47.8	Very low	53.3	Low	162 Å²	162	102.8 Å²	102.8	70%	0.704	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-4.7	-175.3	-63.5	-179.7	-178.2	174.7	0	114.9	C827	C827-K829 PolarHBondContact O-N 2.85Å
830	C	52.1	Low	54.7	Low	47 Å²	47	95.7 Å²	95.7	32%	0.318	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	-2.4	179	62.9	0	0	0	0	115	C827 N832 H843	C827-C830 WeakPolarHBondContact CB-SG 3.45Å; C827-C830 PolarHBondContact O-N 3.42Å; C830-N832 PolarHBondContact O-N 3.19Å; C830-N832 VanDerWaalsContact O-N 3.1Å; C830-N832 PolarHBondContact O-OD1 2.88Å; C830-H843 PolarHBondContact SG-NE2 2.86Å
831	G	57.9	Low	55.9	Low	51 Å²	51	92 Å²	92	53%	0.526	48%	0.481	S	S	.	.			trans	79.9	-28.5	178.5	0	0	0	0	0	114.9	C827 L833	C827-G831 PolarHBondContact O-N 3.27Å; G831-L833 PolarHBondContact O-N 2.96Å
832	N	52.2	Low	57	Low	77 Å²	77	88.6 Å²	88.6	41%	0.412	46%	0.46	S	S	.	.			trans	-50.1	127	-176.8	-75	55.4	0	0	0	112.8	P826 C827 C830 F834	P826-N832 CarbonylContact C-O 3.59Å; P826-N832 WeakPolarHBondContact CA-O 3.41Å; C827-N832 PolarHBondContact N-O 2.91Å; C830-N832 PolarHBondContact O-N 3.19Å; C830-N832 VanDerWaalsContact O-N 3.1Å; C830-N832 PolarHBondContact O-OD1 2.88Å; N832-F834 HydrophobicContact CB-CD2 4.48Å; N832-F834 HydrophobicContact CB-CE2 3.57Å; N832-F834 HydrophobicContact CB-CZ 3.8Å; N832-F834 VanDerWaalsContact O-CD2 3.24Å; N832-F834 WeakPolarHBondContact O-CD2 3.39Å; N832-F834 VanDerWaalsContact O-CE2 3.29Å; N832-F834 WeakPolarHBondContact O-CE2 3.02Å
833	L	59.5	Low	58	Low	118 Å²	118	83.8 Å²	83.8	62%	0.618	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.7	-179.5	-77.3	162.7	0	0	0	110.5	V824 P826 G831	V824-L833 HydrophobicContact CG1-CB 3.71Å; V824-L833 HydrophobicContact CG1-CD2 3.92Å; V824-L833 HydrophobicContact CG1-CG 4.38Å; P826-L833 HydrophobicContact CB-CD2 3.8Å; P826-L833 HydrophobicContact CB-CG 4.44Å; P826-L833 HydrophobicContact CG-CD2 4.25Å; G831-L833 PolarHBondContact O-N 2.96Å
834	F	67.6	Low	58.5	Low	42 Å²	42	85.1 Å²	85.1	18%	0.184	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.6	179.6	-64.3	-83	0	0	0	111.2	R825 C827 N832 S836 L840 H843	R825-F834 PolarHBondContact N-O 3.38Å; R825-F834 PolarHBondContact O-N 3.32Å; C827-F834 HydrophobicContact CB-CD2 4.44Å; C827-F834 HydrophobicContact CB-CE2 4.08Å; N832-F834 HydrophobicContact CB-CD2 4.48Å; N832-F834 HydrophobicContact CB-CE2 3.57Å; N832-F834 HydrophobicContact CB-CZ 3.8Å; N832-F834 VanDerWaalsContact O-CD2 3.24Å; N832-F834 WeakPolarHBondContact O-CD2 3.39Å; N832-F834 VanDerWaalsContact O-CE2 3.29Å; N832-F834 WeakPolarHBondContact O-CE2 3.02Å; F834-S836 PolarHBondContact O-N 3.32Å; F834-S836 VanDerWaalsContact O-N 3.14Å; F834-L840 HydrophobicContact CB-CB 4.06Å; F834-L840 HydrophobicContact CD2-CB 4.23Å; F834-L840 HydrophobicContact CD2-CD1 3.84Å; F834-L840 HydrophobicContact CE2-CD1 4.3Å; F834-L840 HydrophobicContact CG-CB 4.29Å; F834-H843 HydrophobicContact CE1-CB 4.16Å; F834-H843 HydrophobicContact CE2-CB 4.14Å; F834-H843 AromaticContact CE2-CD2 3.91Å; F834-H843 AromaticContact CE2-CG 3.8Å; F834-H843 HydrophobicContact CZ-CB 3.77Å; F834-H843 AromaticContact CZ-CD2 3.97Å; F834-H843 AromaticContact CZ-CE1 3.98Å; F834-H843 AromaticContact CZ-CG 3.44Å; F834-H843 VanDerWaalsContact CZ-CG 3.44Å; F834-H843 AromaticContact CZ-ND1 3.46Å; F834-H843 WeakPolarHBondContact CZ-ND1 3.35Å
835	S	60.9	Low	58.4	Low	105 Å²	105	89.5 Å²	89.5	73%	0.734	44%	0.444	S	S	*	.	S	Bend	trans	-66.8	-8.5	178.6	46.8	0	0	0	0	114.4
836	S	61.6	Low	58	Low	38 Å²	38	89.2 Å²	89.2	27%	0.266	45%	0.452	S	S	.	.	S	Bend	trans	-137.7	133.2	175.8	152.3	0	0	0	0	112.1	F834 K838 D839 L840	F834-S836 PolarHBondContact O-N 3.32Å; F834-S836 VanDerWaalsContact O-N 3.14Å; S836-K838 PolarHBondContact O-N 2.74Å; S836-K838 PolarHBondContact OG-N 2.99Å; S836-D839 WeakPolarHBondContact CB-OD2 3.45Å; S836-D839 PolarHBondContact O-N 3.35Å; S836-D839 PolarHBondContact OG-OD2 3.18Å; S836-L840 PolarHBondContact O-N 3.14Å
837	R	59.1	Low	58	Low	150 Å²	150	90.1 Å²	90.1	57%	0.566	45%	0.452	S	S	*	.	H	α-helix	trans	-57.3	-32.5	174.8	178.4	174.7	171.1	143	13.1	112.9	D839 E841	R837-D839 PolarHBondContact O-N 3.47Å; R837-E841 HydrophobicContact CG-CG 4.32Å; R837-E841 IonicContact CZ-OE1 2.63Å; R837-E841 VanDerWaalsContact CZ-OE1 3.25Å; R837-E841 IonicContact NE-OE1 2.66Å; R837-E841 PolarHBondContact NE-OE1 3.06Å; R837-E841 IonicContact NH2-OE1 3.44Å; R837-E841 PolarHBondContact NH2-OE1 2.76Å; R837-E841 WeakPolarHBondContact O-CB 3.42Å; R837-E841 VanDerWaalsContact O-CG 3.29Å; R837-E841 WeakPolarHBondContact O-CG 3.27Å; R837-E841 PolarHBondContact O-N 3.05Å
838	K	62.4	Low	56.9	Low	152 Å²	152	92.1 Å²	92.1	66%	0.661	47%	0.466	S	S	*	.	H	α-helix	trans	-74	-16.3	179.3	-67	175.6	-176.8	165.9	0	113.2	S836 R842	S836-K838 PolarHBondContact O-N 2.74Å; S836-K838 PolarHBondContact OG-N 2.99Å; K838-R842 VanDerWaalsContact O-CB 3.29Å; K838-R842 WeakPolarHBondContact O-CB 3.37Å; K838-R842 PolarHBondContact O-N 3.09Å; K838-R842 PolarHBondContact O-NH2 3.28Å
839	D	57.7	Low	56.3	Low	59 Å²	59	89.6 Å²	89.6	32%	0.316	45%	0.454	S	S	.	.	H	α-helix	trans	-96.8	-34.9	179.7	-60.3	-79.9	0	0	0	109.5	S836 R837 R842 H843	S836-D839 WeakPolarHBondContact CB-OD2 3.45Å; S836-D839 PolarHBondContact O-N 3.35Å; S836-D839 PolarHBondContact OG-OD2 3.18Å; R837-D839 PolarHBondContact O-N 3.47Å; D839-R842 PolarHBondContact O-N 2.9Å; D839-R842 IonicContact OD1-CZ 3.44Å; D839-R842 IonicContact OD1-NH1 3.42Å; D839-R842 PolarHBondContact OD1-NH1 3.3Å; D839-R842 IonicContact OD1-NH2 2.86Å; D839-R842 PolarHBondContact OD1-NH2 3.03Å; D839-R842 IonicContact OD2-NH2 3.25Å; D839-H843 WeakPolarHBondContact O-CB 3.32Å; D839-H843 PolarHBondContact O-N 3.02Å
840	L	64.2	Low	56	Low	17 Å²	17	88.8 Å²	88.8	9%	0.089	46%	0.456	C	S	.	.	H	α-helix	trans	-58.4	-50.6	161.4	176.4	60.1	0	0	0	112.2	R825 C827 F834 S836 R842 H843 Q844	R825-L840 HydrophobicContact CB-CD2 3.94Å; C827-L840 HydrophobicContact CB-CD1 3.47Å; C827-L840 VanDerWaalsContact CB-CD1 3.47Å; F834-L840 HydrophobicContact CB-CB 4.06Å; F834-L840 HydrophobicContact CD2-CB 4.23Å; F834-L840 HydrophobicContact CD2-CD1 3.84Å; F834-L840 HydrophobicContact CE2-CD1 4.3Å; F834-L840 HydrophobicContact CG-CB 4.29Å; S836-L840 PolarHBondContact O-N 3.14Å; L840-R842 VanDerWaalsContact C-N 3.35Å; L840-R842 PolarHBondContact O-N 3.32Å; L840-H843 WeakPolarHBondContact O-CB 2.91Å; L840-H843 PolarHBondContact O-N 2.94Å; L840-Q844 HydrophobicContact CD1-CG 4.27Å; L840-Q844 WeakPolarHBondContact O-CG 3.34Å; L840-Q844 PolarHBondContact O-N 3.38Å
841	E	57.2	Low	55.9	Low	72 Å²	72	91.5 Å²	91.5	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-61	-43.4	178.3	-76.7	168.1	167.6	0	0	110.6	R837 H843 Q844 E845	R837-E841 HydrophobicContact CG-CG 4.32Å; R837-E841 IonicContact CZ-OE1 2.63Å; R837-E841 VanDerWaalsContact CZ-OE1 3.25Å; R837-E841 IonicContact NE-OE1 2.66Å; R837-E841 PolarHBondContact NE-OE1 3.06Å; R837-E841 IonicContact NH2-OE1 3.44Å; R837-E841 PolarHBondContact NH2-OE1 2.76Å; R837-E841 WeakPolarHBondContact O-CB 3.42Å; R837-E841 VanDerWaalsContact O-CG 3.29Å; R837-E841 WeakPolarHBondContact O-CG 3.27Å; R837-E841 PolarHBondContact O-N 3.05Å; E841-H843 PolarHBondContact O-N 2.88Å; E841-Q844 PolarHBondContact O-N 3.19Å; E841-E845 WeakPolarHBondContact O-CB 3.44Å; E841-E845 WeakPolarHBondContact O-CG 3.48Å; E841-E845 PolarHBondContact O-N 2.86Å
842	R	59.3	Low	55.8	Low	117 Å²	117	93 Å²	93	44%	0.442	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-33.9	175	-163.1	-173.9	-42.7	118.6	30.6	113.2	K838 D839 L840 L846	K838-R842 VanDerWaalsContact O-CB 3.29Å; K838-R842 WeakPolarHBondContact O-CB 3.37Å; K838-R842 PolarHBondContact O-N 3.09Å; K838-R842 PolarHBondContact O-NH2 3.28Å; D839-R842 PolarHBondContact O-N 2.9Å; D839-R842 IonicContact OD1-CZ 3.44Å; D839-R842 IonicContact OD1-NH1 3.42Å; D839-R842 PolarHBondContact OD1-NH1 3.3Å; D839-R842 IonicContact OD1-NH2 2.86Å; D839-R842 PolarHBondContact OD1-NH2 3.03Å; D839-R842 IonicContact OD2-NH2 3.25Å; L840-R842 VanDerWaalsContact C-N 3.35Å; L840-R842 PolarHBondContact O-N 3.32Å; R842-L846 HydrophobicContact CG-CD1 3.76Å; R842-L846 HydrophobicContact CG-CG 4.25Å; R842-L846 VanDerWaalsContact O-CB 3.28Å; R842-L846 WeakPolarHBondContact O-CB 3.35Å; R842-L846 VanDerWaalsContact O-CG 3.32Å; R842-L846 WeakPolarHBondContact O-CG 3.49Å; R842-L846 PolarHBondContact O-N 2.91Å
843	H	63.8	Low	56.2	Low	34 Å²	34	92.5 Å²	92.5	16%	0.157	46%	0.457	C	S	.	.	H	α-helix	trans	-66.3	-42.7	173.3	172.9	88.2	0	0	0	111.2	C830 F834 D839 L840 E841 L846 L847 C848	C830-H843 PolarHBondContact SG-NE2 2.86Å; F834-H843 HydrophobicContact CE1-CB 4.16Å; F834-H843 HydrophobicContact CE2-CB 4.14Å; F834-H843 AromaticContact CE2-CD2 3.91Å; F834-H843 AromaticContact CE2-CG 3.8Å; F834-H843 HydrophobicContact CZ-CB 3.77Å; F834-H843 AromaticContact CZ-CD2 3.97Å; F834-H843 AromaticContact CZ-CE1 3.98Å; F834-H843 AromaticContact CZ-CG 3.44Å; F834-H843 VanDerWaalsContact CZ-CG 3.44Å; F834-H843 AromaticContact CZ-ND1 3.46Å; F834-H843 WeakPolarHBondContact CZ-ND1 3.35Å; D839-H843 WeakPolarHBondContact O-CB 3.32Å; D839-H843 PolarHBondContact O-N 3.02Å; L840-H843 WeakPolarHBondContact O-CB 2.91Å; L840-H843 PolarHBondContact O-N 2.94Å; E841-H843 PolarHBondContact O-N 2.88Å; H843-L846 PolarHBondContact O-N 3.18Å; H843-L847 PolarHBondContact O-N 3.28Å; H843-C848 PolarHBondContact O-N 3.39Å
844	Q	55.1	Low	56.2	Low	87 Å²	87	91.5 Å²	91.5	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-41	174.6	-70.6	178.1	-6	0	0	111.8	L840 E841	L840-Q844 HydrophobicContact CD1-CG 4.27Å; L840-Q844 WeakPolarHBondContact O-CG 3.34Å; L840-Q844 PolarHBondContact O-N 3.38Å; E841-Q844 PolarHBondContact O-N 3.19Å
845	E	55.8	Low	56.8	Low	159 Å²	159	89.5 Å²	89.5	74%	0.743	44%	0.443	S	S	*	.	H	α-helix	trans	-68	-33.1	176.4	-75.2	-177.5	154.3	0	0	114	E841	E841-E845 WeakPolarHBondContact O-CB 3.44Å; E841-E845 WeakPolarHBondContact O-CG 3.48Å; E841-E845 PolarHBondContact O-N 2.86Å
846	L	48.3	Very low	57.2	Low	129 Å²	129	91.2 Å²	91.2	68%	0.675	44%	0.438	S	S	*	.	H	α-helix	trans	-109.8	-27.1	-170.5	-61.2	-176.1	0	0	0	116	R842 H843	R842-L846 HydrophobicContact CG-CD1 3.76Å; R842-L846 HydrophobicContact CG-CG 4.25Å; R842-L846 VanDerWaalsContact O-CB 3.28Å; R842-L846 WeakPolarHBondContact O-CB 3.35Å; R842-L846 VanDerWaalsContact O-CG 3.32Å; R842-L846 WeakPolarHBondContact O-CG 3.49Å; R842-L846 PolarHBondContact O-N 2.91Å; H843-L846 PolarHBondContact O-N 3.18Å
847	L	53.2	Low	57.9	Low	93 Å²	93	93.4 Å²	93.4	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-134.9	4.9	-166.8	-79.1	175.6	0	0	0	116.7	H843 H849	H843-L847 PolarHBondContact O-N 3.28Å; L847-H849 VanDerWaalsContact C-N 3.3Å; L847-H849 PolarHBondContact O-N 2.97Å
848	C	42.3	Very low	58.8	Low	44 Å²	44	88.5 Å²	88.5	30%	0.297	44%	0.435	S	S	.	.	S	Bend	trans	-81.1	68.9	175.3	-161.8	0	0	0	0	114.1	H843	H843-C848 PolarHBondContact O-N 3.39Å
849	H	44.1	Very low	58.7	Low	129 Å²	129	87.1 Å²	87.1	60%	0.597	43%	0.434	S	S	*	.	S	Bend	trans	59.4	56.9	150.1	-73.7	-117.5	0	0	0	119.1	L847	L847-H849 VanDerWaalsContact C-N 3.3Å; L847-H849 PolarHBondContact O-N 2.97Å
850	I	42.1	Very low	59.2	Low	145 Å²	145	90.5 Å²	90.5	74%	0.744	45%	0.446	S	S	*	.			trans	-112.5	130	143	-55.2	-178.7	0	0	0	108.6	P852	I850-P852 HydrophobicContact CG2-CB 4.27Å; I850-P852 WeakPolarHBondContact O-CD 3.28Å
851	K	49.2	Very low	59.3	Low	103 Å²	103	91.1 Å²	91.1	45%	0.448	45%	0.454	S	S	.	.			trans	-111.6	77.5	173	-73.6	169.1	153.4	-156.1	0	108.7	F853 A861 F862 R863	K851-F853 PolarHBondContact O-N 3.42Å; K851-F853 VanDerWaalsContact O-N 3.16Å; K851-A861 HydrophobicContact CB-CB 3.77Å; K851-A861 HydrophobicContact CD-CB 3.97Å; K851-A861 VanDerWaalsContact CD-O 3.29Å; K851-A861 WeakPolarHBondContact CD-O 3.4Å; K851-A861 WeakPolarHBondContact CE-O 3.07Å; K851-A861 PolarHBondContact NZ-O 2.95Å; K851-F862 CarbonylContact C-O 3.57Å; K851-R863 HydrophobicContact CG-CG 4.25Å
852	P	56.9	Low	60.1	Low	82 Å²	82	89.6 Å²	89.6	53%	0.532	45%	0.446	S	S	.	.			trans	-74.3	-7.4	-166.8	31.8	-36.4	0	0	0	113.9	I850	I850-P852 HydrophobicContact CG2-CB 4.27Å; I850-P852 WeakPolarHBondContact O-CD 3.28Å
853	F	59.3	Low	59.7	Low	68 Å²	68	91.4 Å²	91.4	30%	0.298	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	87.5	-176.7	-59	-62.4	0	0	0	109.9	K851 F862 N865 L868	K851-F853 PolarHBondContact O-N 3.42Å; K851-F853 VanDerWaalsContact O-N 3.16Å; F853-F862 HydrophobicContact CB-CB 4.38Å; F853-F862 PolarHBondContact O-N 2.92Å; F853-N865 HydrophobicContact CD1-CB 4.08Å; F853-N865 HydrophobicContact CD2-CB 4.3Å; F853-N865 HydrophobicContact CE1-CB 3.89Å; F853-N865 HydrophobicContact CE2-CB 4.11Å; F853-N865 HydrophobicContact CG-CB 4.28Å; F853-N865 HydrophobicContact CZ-CB 3.91Å; F853-L868 HydrophobicContact CB-CB 3.94Å; F853-L868 HydrophobicContact CB-CD2 3.73Å; F853-L868 HydrophobicContact CB-CG 4.43Å
854	I	60.1	Low	59.4	Low	96 Å²	96	93 Å²	93	49%	0.492	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133	179.5	-51.9	-178.8	0	0	0	109.7	H856 N859 A861	I854-H856 PolarHBondContact O-N 2.67Å; I854-N859 HydrophobicContact CG2-CB 4.46Å; I854-A861 HydrophobicContact CG1-CB 3.95Å
855	C	79.9	Confident	59.6	Low	1 Å²	1	93.3 Å²	93.3	1%	0.007	47%	0.47	C	S	.	.			trans	-80.3	113.3	171.8	179.4	0	0	0	0	110.4	I857 C858 N859 K860 F862 L868 H875	C855-I857 PolarHBondContact O-N 3.23Å; C855-C858 PolarHBondContact O-N 3.22Å; C855-N859 WeakPolarHBondContact O-CA 3.24Å; C855-N859 PolarHBondContact O-N 2.91Å; C855-K860 PolarHBondContact N-O 3.38Å; C855-F862 HydrophobicContact CB-CE2 4.23Å; C855-L868 HydrophobicContact CB-CD1 3.56Å; C855-H875 PolarHBondContact SG-NE2 3.46Å
856	H	70.1	Confident	60.6	Low	140 Å²	140	92.8 Å²	92.8	65%	0.648	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-9	-178.3	69.5	79.5	0	0	0	115.1	I854 F872	I854-H856 PolarHBondContact O-N 2.67Å; H856-F872 AromaticContact NE2-CE2 3.68Å
857	I	75.1	Confident	61.7	Low	84 Å²	84	95.1 Å²	95.1	43%	0.431	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-32.2	-178.8	-52.9	176.9	0	0	0	111.6	C855 F872 H875	C855-I857 PolarHBondContact O-N 3.23Å; I857-F872 HydrophobicContact CD1-CD2 4.13Å; I857-F872 HydrophobicContact CD1-CE2 3.79Å; I857-H875 HydrophobicContact CD1-CB 3.65Å; I857-H875 WeakPolarHBondContact CG2-ND1 3.35Å
858	C	78	Confident	62.9	Low	48 Å²	48	92 Å²	92	32%	0.324	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	11.8	-179.6	69.3	0	0	0	0	114.5	C855 K860 H871	C855-C858 PolarHBondContact O-N 3.22Å; C858-K860 PolarHBondContact O-N 2.96Å; C858-H871 PolarHBondContact SG-NE2 3.06Å
859	N	61.3	Low	64.5	Low	122 Å²	122	96.8 Å²	96.8	65%	0.652	46%	0.461	S	S	*	.			trans	53.1	14.8	179.1	-62	-39.8	0	0	0	116.6	I854 C855 A861	I854-N859 HydrophobicContact CG2-CB 4.46Å; C855-N859 WeakPolarHBondContact O-CA 3.24Å; C855-N859 PolarHBondContact O-N 2.91Å; N859-A861 PolarHBondContact O-N 3.19Å
860	K	67.8	Low	66.1	Low	130 Å²	130	93.9 Å²	93.9	57%	0.565	46%	0.455	S	S	*	.			trans	-66.3	127.9	172	-68.6	-177.8	-177.7	-177.9	0	110	C855 C858 F862	C855-K860 PolarHBondContact N-O 3.38Å; C858-K860 PolarHBondContact O-N 2.96Å; K860-F862 HydrophobicContact CB-CE2 3.76Å; K860-F862 HydrophobicContact CB-CZ 3.88Å; K860-F862 VanDerWaalsContact O-CD2 3.31Å; K860-F862 WeakPolarHBondContact O-CD2 3.14Å; K860-F862 WeakPolarHBondContact O-CE2 3.24Å
861	A	67.1	Low	67.8	Low	30 Å²	30	88.5 Å²	88.5	25%	0.248	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127	-174.4	0	0	0	0	0	111.9	K851 I854 N859	K851-A861 HydrophobicContact CB-CB 3.77Å; K851-A861 HydrophobicContact CD-CB 3.97Å; K851-A861 VanDerWaalsContact CD-O 3.29Å; K851-A861 WeakPolarHBondContact CD-O 3.4Å; K851-A861 WeakPolarHBondContact CE-O 3.07Å; K851-A861 PolarHBondContact NZ-O 2.95Å; I854-A861 HydrophobicContact CG1-CB 3.95Å; N859-A861 PolarHBondContact O-N 3.19Å
862	F	73.8	Confident	69.1	Low	41 Å²	41	86.7 Å²	86.7	18%	0.18	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.7	-170.5	-61.7	-88.6	0	0	0	112.4	K851 F853 C855 K860 R867 L868 H871	K851-F862 CarbonylContact C-O 3.57Å; F853-F862 HydrophobicContact CB-CB 4.38Å; F853-F862 PolarHBondContact O-N 2.92Å; C855-F862 HydrophobicContact CB-CE2 4.23Å; K860-F862 HydrophobicContact CB-CE2 3.76Å; K860-F862 HydrophobicContact CB-CZ 3.88Å; K860-F862 VanDerWaalsContact O-CD2 3.31Å; K860-F862 WeakPolarHBondContact O-CD2 3.14Å; K860-F862 WeakPolarHBondContact O-CE2 3.24Å; F862-R867 HydrophobicContact CD1-CB 4.1Å; F862-L868 HydrophobicContact CB-CB 4.29Å; F862-L868 HydrophobicContact CD2-CB 4.09Å; F862-L868 HydrophobicContact CD2-CD1 3.93Å; F862-L868 HydrophobicContact CE2-CD1 4.2Å; F862-L868 HydrophobicContact CG-CB 4.33Å; F862-H871 HydrophobicContact CE1-CB 4.1Å; F862-H871 HydrophobicContact CE2-CB 4.15Å; F862-H871 AromaticContact CE2-CD2 3.32Å; F862-H871 WeakPolarHBondContact CE2-CD2 3.28Å; F862-H871 AromaticContact CE2-CG 3.85Å; F862-H871 HydrophobicContact CZ-CB 3.65Å; F862-H871 AromaticContact CZ-CD2 3.29Å; F862-H871 WeakPolarHBondContact CZ-CD2 3.26Å; F862-H871 AromaticContact CZ-CG 3.38Å; F862-H871 AromaticContact CZ-NE2 3.96Å
863	R	50.4	Low	70.2	Confident	154 Å²	154	87.3 Å²	87.3	58%	0.581	42%	0.415	S	S	*	.	S	Bend	trans	-75.2	-24.7	177	-71.4	179.7	173	153.8	-3.7	113	K851	K851-R863 HydrophobicContact CG-CG 4.25Å
864	T	58.1	Low	70.9	Confident	68 Å²	68	86.5 Å²	86.5	42%	0.417	42%	0.417	S	S	.	.	S	Bend	trans	-136.8	146.5	-178.1	61.4	0	0	0	0	112.3	F866 R867 L868	T864-F866 VanDerWaalsContact C-N 3.32Å; T864-F866 PolarHBondContact O-N 3.29Å; T864-R867 PolarHBondContact O-N 2.9Å; T864-L868 PolarHBondContact O-N 3.38Å
865	N	58.9	Low	71.6	Confident	94 Å²	94	83.5 Å²	83.5	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-61.3	-38.6	-179.6	-173.4	-83.8	0	0	0	112.2	F853 R867 L868 W869	F853-N865 HydrophobicContact CD1-CB 4.08Å; F853-N865 HydrophobicContact CD2-CB 4.3Å; F853-N865 HydrophobicContact CE1-CB 3.89Å; F853-N865 HydrophobicContact CE2-CB 4.11Å; F853-N865 HydrophobicContact CG-CB 4.28Å; F853-N865 HydrophobicContact CZ-CB 3.91Å; N865-R867 VanDerWaalsContact C-N 3.35Å; N865-R867 PolarHBondContact O-N 2.85Å; N865-L868 CarbonylContact O-C 3.51Å; N865-L868 WeakPolarHBondContact O-CB 3.12Å; N865-L868 PolarHBondContact O-N 3.42Å; N865-L868 VanDerWaalsContact O-N 3.12Å; N865-W869 PolarHBondContact O-N 3.08Å
866	F	77.6	Confident	70.8	Confident	148 Å²	148	89 Å²	89	65%	0.649	43%	0.428	S	S	*	.	H	α-helix	trans	-58	-41.4	175.7	179	-99.8	0	0	0	113.1	T864 W869 S870	T864-F866 VanDerWaalsContact C-N 3.32Å; T864-F866 PolarHBondContact O-N 3.29Å; F866-W869 PolarHBondContact O-N 2.66Å; F866-S870 WeakPolarHBondContact O-CB 3.26Å; F866-S870 PolarHBondContact O-N 2.83Å
867	R	69.6	Low	70.3	Confident	177 Å²	177	86.6 Å²	86.6	67%	0.668	43%	0.427	S	S	*	.	H	α-helix	trans	-73.4	-30.1	175.9	-72.2	-164.3	-179.2	-157.8	3.1	112.7	F862 T864 N865 H871	F862-R867 HydrophobicContact CD1-CB 4.1Å; T864-R867 PolarHBondContact O-N 2.9Å; N865-R867 VanDerWaalsContact C-N 3.35Å; N865-R867 PolarHBondContact O-N 2.85Å; R867-H871 VanDerWaalsContact O-CB 3.23Å; R867-H871 WeakPolarHBondContact O-CB 3.44Å; R867-H871 PolarHBondContact O-N 3.1Å; R867-H871 VanDerWaalsContact O-N 3.09Å
868	L	79.8	Confident	69.3	Low	29 Å²	29	87.2 Å²	87.2	15%	0.152	44%	0.435	C	S	.	.	H	α-helix	trans	-63.8	-44.2	167.1	171.2	62.9	0	0	0	111.2	F853 C855 F862 T864 N865 H871 F872	F853-L868 HydrophobicContact CB-CB 3.94Å; F853-L868 HydrophobicContact CB-CD2 3.73Å; F853-L868 HydrophobicContact CB-CG 4.43Å; C855-L868 HydrophobicContact CB-CD1 3.56Å; F862-L868 HydrophobicContact CB-CB 4.29Å; F862-L868 HydrophobicContact CD2-CB 4.09Å; F862-L868 HydrophobicContact CD2-CD1 3.93Å; F862-L868 HydrophobicContact CE2-CD1 4.2Å; F862-L868 HydrophobicContact CG-CB 4.33Å; T864-L868 PolarHBondContact O-N 3.38Å; N865-L868 CarbonylContact O-C 3.51Å; N865-L868 WeakPolarHBondContact O-CB 3.12Å; N865-L868 PolarHBondContact O-N 3.42Å; N865-L868 VanDerWaalsContact O-N 3.12Å; L868-H871 CarbonylContact O-C 3.56Å; L868-H871 PolarHBondContact O-N 3.49Å; L868-F872 WeakPolarHBondContact O-CB 3.34Å; L868-F872 PolarHBondContact O-N 3.42Å
869	W	74.6	Confident	67.8	Low	144 Å²	144	88.5 Å²	88.5	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-66.8	-47.3	-178.8	-177.7	79.3	0	0	0	112.2	N865 F866 H871 F872 Q873	N865-W869 PolarHBondContact O-N 3.08Å; F866-W869 PolarHBondContact O-N 2.66Å; W869-H871 PolarHBondContact O-N 3.37Å; W869-F872 WeakPolarHBondContact O-CB 3.38Å; W869-F872 PolarHBondContact O-N 3.24Å; W869-Q873 PolarHBondContact O-N 3.42Å
870	S	78.3	Confident	66.7	Low	67 Å²	67	88 Å²	88	47%	0.469	46%	0.455	S	S	.	.	H	α-helix	trans	-57	-36.8	172.4	167.9	0	0	0	0	112.3	F866 Q873	F866-S870 WeakPolarHBondContact O-CB 3.26Å; F866-S870 PolarHBondContact O-N 2.83Å; S870-Q873 WeakPolarHBondContact O-CB 3.45Å
871	H	78.8	Confident	65.6	Low	32 Å²	32	91.2 Å²	91.2	15%	0.148	47%	0.469	C	S	.	.	H	α-helix	trans	-73.8	-37	173	173.9	59.2	0	0	0	113.3	C858 F862 R867 L868 W869 Q873 S874 H875	C858-H871 PolarHBondContact SG-NE2 3.06Å; F862-H871 HydrophobicContact CE1-CB 4.1Å; F862-H871 HydrophobicContact CE2-CB 4.15Å; F862-H871 AromaticContact CE2-CD2 3.32Å; F862-H871 WeakPolarHBondContact CE2-CD2 3.28Å; F862-H871 AromaticContact CE2-CG 3.85Å; F862-H871 HydrophobicContact CZ-CB 3.65Å; F862-H871 AromaticContact CZ-CD2 3.29Å; F862-H871 WeakPolarHBondContact CZ-CD2 3.26Å; F862-H871 AromaticContact CZ-CG 3.38Å; F862-H871 AromaticContact CZ-NE2 3.96Å; R867-H871 VanDerWaalsContact O-CB 3.23Å; R867-H871 WeakPolarHBondContact O-CB 3.44Å; R867-H871 PolarHBondContact O-N 3.1Å; R867-H871 VanDerWaalsContact O-N 3.09Å; L868-H871 CarbonylContact O-C 3.56Å; L868-H871 PolarHBondContact O-N 3.49Å; W869-H871 PolarHBondContact O-N 3.37Å; H871-Q873 VanDerWaalsContact C-N 3.28Å; H871-Q873 PolarHBondContact O-N 3.46Å; H871-S874 PolarHBondContact ND1-OG 3.07Å; H871-S874 WeakPolarHBondContact O-CB 3.49Å; H871-S874 PolarHBondContact O-N 3.19Å; H871-S874 PolarHBondContact O-OG 2.97Å; H871-H875 AromaticContact CD2-NE2 3.83Å; H871-H875 AromaticContact CE1-CD2 3.95Å; H871-H875 AromaticContact CE1-NE2 3.18Å; H871-H875 PolarHBondContact CE1-NE2 2.61Å; H871-H875 AromaticContact NE2-CD2 3.81Å; H871-H875 AromaticContact NE2-NE2 2.99Å; H871-H875 PolarHBondContact NE2-NE2 3.23Å; H871-H875 PolarHBondContact O-CD2 3.26Å
872	F	74.8	Confident	64.2	Low	65 Å²	65	96.6 Å²	96.6	29%	0.285	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-38.8	174.1	-174.4	-97.7	0	0	0	111.3	H856 I857 L868 W869 S874 H875 M876	H856-F872 AromaticContact NE2-CE2 3.68Å; I857-F872 HydrophobicContact CD1-CD2 4.13Å; I857-F872 HydrophobicContact CD1-CE2 3.79Å; L868-F872 WeakPolarHBondContact O-CB 3.34Å; L868-F872 PolarHBondContact O-N 3.42Å; W869-F872 WeakPolarHBondContact O-CB 3.38Å; W869-F872 PolarHBondContact O-N 3.24Å; F872-S874 PolarHBondContact O-N 3.06Å; F872-H875 PolarHBondContact O-N 2.98Å; F872-M876 HydrophobicContact CD1-CG 4.12Å; F872-M876 HydrophobicContact CD1-SD 4.32Å; F872-M876 HydrophobicContact CE1-CG 3.83Å; F872-M876 HydrophobicContact CE1-SD 3.6Å; F872-M876 VanDerWaalsContact CE1-SD 3.6Å; F872-M876 HydrophobicContact CZ-CG 4.4Å; F872-M876 HydrophobicContact CZ-SD 4.26Å; F872-M876 PolarHBondContact O-N 3.27Å
873	Q	81.4	Confident	62.2	Low	95 Å²	95	98.4 Å²	98.4	44%	0.444	53%	0.529	S	S	.	.	H	α-helix	trans	-52.9	-38.4	171.4	-153.3	75.6	11.2	0	0	112.1	W869 S870 H871 H875 M876 S877	W869-Q873 PolarHBondContact O-N 3.42Å; S870-Q873 WeakPolarHBondContact O-CB 3.45Å; H871-Q873 VanDerWaalsContact C-N 3.28Å; H871-Q873 PolarHBondContact O-N 3.46Å; Q873-H875 VanDerWaalsContact C-N 3.35Å; Q873-H875 PolarHBondContact O-N 2.87Å; Q873-M876 PolarHBondContact O-N 3.2Å; Q873-S877 PolarHBondContact O-N 3.3Å; Q873-S877 PolarHBondContact O-OG 3Å
874	S	73.6	Confident	61.5	Low	51 Å²	51	95.5 Å²	95.5	36%	0.357	54%	0.538	S	S	.	.	H	α-helix	trans	-69.4	-26.2	179.3	72.3	0	0	0	0	114.4	H871 F872 S877 T878	H871-S874 PolarHBondContact ND1-OG 3.07Å; H871-S874 WeakPolarHBondContact O-CB 3.49Å; H871-S874 PolarHBondContact O-N 3.19Å; H871-S874 PolarHBondContact O-OG 2.97Å; F872-S874 PolarHBondContact O-N 3.06Å; S874-S877 PolarHBondContact O-OG 3.24Å; S874-T878 PolarHBondContact O-N 3.48Å; S874-T878 PolarHBondContact O-OG1 3.1Å; S874-T878 VanDerWaalsContact O-OG1 3.12Å
875	H	73.9	Confident	60.3	Low	34 Å²	34	102.6 Å²	102.6	16%	0.157	56%	0.563	C	S	.	*	H	α-helix	trans	-73.9	-40.7	170.5	-66.3	-80.5	0	0	0	111.1	C855 I857 H871 F872 Q873 S877 T878 A879	C855-H875 PolarHBondContact SG-NE2 3.46Å; I857-H875 HydrophobicContact CD1-CB 3.65Å; I857-H875 WeakPolarHBondContact CG2-ND1 3.35Å; H871-H875 AromaticContact CD2-NE2 3.83Å; H871-H875 AromaticContact CE1-CD2 3.95Å; H871-H875 AromaticContact CE1-NE2 3.18Å; H871-H875 PolarHBondContact CE1-NE2 2.61Å; H871-H875 AromaticContact NE2-CD2 3.81Å; H871-H875 AromaticContact NE2-NE2 2.99Å; H871-H875 PolarHBondContact NE2-NE2 3.23Å; H871-H875 PolarHBondContact O-CD2 3.26Å; F872-H875 PolarHBondContact O-N 2.98Å; Q873-H875 VanDerWaalsContact C-N 3.35Å; Q873-H875 PolarHBondContact O-N 2.87Å; H875-S877 PolarHBondContact O-N 3.12Å; H875-T878 WeakPolarHBondContact CA-OG1 3.46Å; H875-T878 PolarHBondContact O-N 3.03Å; H875-T878 PolarHBondContact O-OG1 3.02Å; H875-A879 WeakPolarHBondContact O-CB 3.46Å; H875-A879 PolarHBondContact O-N 2.89Å
876	M	64.4	Low	59	Low	116 Å²	116	105.8 Å²	105.8	57%	0.571	58%	0.575	S	S	*	*	H	α-helix	trans	-66	-35.6	-179.8	-61.3	-134.8	72.6	0	0	112.7	F872 Q873	F872-M876 HydrophobicContact CD1-CG 4.12Å; F872-M876 HydrophobicContact CD1-SD 4.32Å; F872-M876 HydrophobicContact CE1-CG 3.83Å; F872-M876 HydrophobicContact CE1-SD 3.6Å; F872-M876 VanDerWaalsContact CE1-SD 3.6Å; F872-M876 HydrophobicContact CZ-CG 4.4Å; F872-M876 HydrophobicContact CZ-SD 4.26Å; F872-M876 PolarHBondContact O-N 3.27Å; Q873-M876 PolarHBondContact O-N 3.2Å
877	S	59.2	Low	56.6	Low	90 Å²	90	106.2 Å²	106.2	63%	0.629	58%	0.581	S	S	*	*	H	α-helix	trans	-72.5	-28.3	174.5	54.7	0	0	0	0	113.5	Q873 S874 H875	Q873-S877 PolarHBondContact O-N 3.3Å; Q873-S877 PolarHBondContact O-OG 3Å; S874-S877 PolarHBondContact O-OG 3.24Å; H875-S877 PolarHBondContact O-N 3.12Å
878	T	53.8	Low	54.6	Low	96 Å²	96	103.3 Å²	103.3	59%	0.589	59%	0.588	S	S	*	*	H	α-helix	trans	-81.3	-23.7	173.8	50.7	0	0	0	0	114.2	S874 H875 S880	S874-T878 PolarHBondContact O-N 3.48Å; S874-T878 PolarHBondContact O-OG1 3.1Å; S874-T878 VanDerWaalsContact O-OG1 3.12Å; H875-T878 WeakPolarHBondContact CA-OG1 3.46Å; H875-T878 PolarHBondContact O-N 3.03Å; H875-T878 PolarHBondContact O-OG1 3.02Å; T878-S880 PolarHBondContact O-N 3.19Å; T878-S880 VanDerWaalsContact O-N 3.11Å
879	A	46.5	Very low	52.2	Low	76 Å²	76	109.2 Å²	109.2	63%	0.628	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-65.9	-14.2	-174.9	0	0	0	0	0	114.7	H875 K881	H875-A879 WeakPolarHBondContact O-CB 3.46Å; H875-A879 PolarHBondContact O-N 2.89Å; A879-K881 VanDerWaalsContact C-N 3.3Å; A879-K881 PolarHBondContact O-N 3.11Å
880	S	39.2	Very low	50	Low	111 Å²	111	110.4 Å²	110.4	78%	0.776	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-82	3	-176.7	-143.6	0	0	0	0	114.8	T878	T878-S880 PolarHBondContact O-N 3.19Å; T878-S880 VanDerWaalsContact O-N 3.11Å
881	K	44.8	Very low	47.7	Very low	198 Å²	198	111.6 Å²	111.6	86%	0.861	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-142.6	47.7	-176.7	-76	-163.6	174.7	-175.1	0	115.6	A879	A879-K881 VanDerWaalsContact C-N 3.3Å; A879-K881 PolarHBondContact O-N 3.11Å
882	V	35.8	Very low	46	Very low	142 Å²	142	115.9 Å²	115.9	86%	0.861	67%	0.673	S	S	*	*			trans	-138.3	120.2	157.2	-173.9	0	0	0	0	110.1
883	G	33	Very low	44.4	Very low	80 Å²	80	118.7 Å²	118.7	83%	0.825	70%	0.697	S	S	*	*			trans	-170.9	30.3	-175.6	0	0	0	0	0	117
884	A	35.7	Very low	41.9	Very low	93 Å²	93	122.7 Å²	122.7	77%	0.769	72%	0.721	S	S	*	*			trans	-169	97.4	167.8	0	0	0	0	0	114
885	K	33.3	Very low	39.9	Very low	217 Å²	217	125.5 Å²	125.5	94%	0.943	74%	0.74	S	S	*	*			trans	169.9	166.8	135.8	-96.9	-178.9	176.1	-176	0	112.6
886	E	30.3	Very low	39	Very low	161 Å²	161	129.3 Å²	129.3	75%	0.752	77%	0.768	S	S	*	*			trans	-104.1	167.9	-159.9	-65.4	174.7	106.1	0	0	116
887	M	28.6	Very low	37.4	Very low	157 Å²	157	129.1 Å²	129.1	77%	0.773	78%	0.778	S	S	*	*			trans	46	110.5	153.1	-90.6	67.7	93.7	0	0	120.8
888	S	27.9	Very low	36.9	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	78%	0.784	S	S	*	*				160.1	122.3	96.8	-163.6	0	0	0	0	115.8
889	M	28.6	Very low	36.7	Very low	154 Å²	154	130.7 Å²	130.7	76%	0.759	79%	0.788	S	S	*	*			trans	21.9	142.3	150.2	-70.4	-61.1	161.3	0	0	127.3
890	H	28.4	Very low	35.7	Very low	168 Å²	168	134.3 Å²	134.3	78%	0.778	80%	0.796	S	S	*	*			trans	88.4	106.1	143.1	-70.3	-43.7	0	0	0	124.2
891	A	28.9	Very low	35.3	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	79%	0.794	S	S	*	*				74.9	154.8	123.1	0	0	0	0	0	121.6
892	P	44.4	Very low	35.1	Very low	122 Å²	122	130.6 Å²	130.6	79%	0.792	79%	0.787	S	S	*	*			trans	-112	162.6	-158.7	41.4	-33.5	0	0	0	116.2
893	P	40.2	Very low	34.6	Very low	124 Å²	124	132.2 Å²	132.2	81%	0.805	79%	0.785	S	S	*	*			trans	-99.9	153.1	172.1	37.4	-33	0	0	0	114.7
894	L	29.1	Very low	34.3	Very low	179 Å²	179	134.3 Å²	134.3	94%	0.937	78%	0.778	S	S	*	*			trans	-94.3	178.4	159	-73.8	164.1	0	0	0	110.2
895	S	32.7	Very low	33.9	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	77%	0.772	S	S	*	*			trans	-143	165.9	-175.8	57	0	0	0	0	111.6
896	P	54.6	Low	33.7	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	76%	0.759	S	S	*	*			cis	-137.7	-174.5	-33	33.9	-14.7	0	0	0	114.5
897	S	31.1	Very low	33.6	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	75%	0.754	S	S	*	*			trans	107.8	151.4	145.4	-62.2	0	0	0	0	120.9
898	P	48.8	Very low	33.5	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	76%	0.758	S	S	*	*			trans	-130.6	-145.3	-153.4	44.6	-23.6	0	0	0	111.6
899	P	48.4	Very low	33.3	Very low	104 Å²	104	134.5 Å²	134.5	68%	0.675	76%	0.756	S	S	*	*			cis	-136.7	177.5	-12.8	33.6	-11.3	0	0	0	117
900	L	26.6	Very low	34.4	Very low	151 Å²	151	132.2 Å²	132.2	79%	0.791	75%	0.753	S	S	*	*				158.1	113.2	124.5	-81.6	171.5	0	0	0	115.8
901	T	31	Very low	34.6	Very low	120 Å²	120	133.1 Å²	133.1	74%	0.736	76%	0.758	S	S	*	*			trans	12.6	164.9	135.4	57.2	0	0	0	0	123.8
902	P	39.9	Very low	34.5	Very low	111 Å²	111	133 Å²	133	72%	0.721	76%	0.757	S	S	*	*			cis	-144.7	-157.9	-36.8	42.1	-21.9	0	0	0	114.4
903	Q	26.1	Very low	33.9	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	76%	0.756	S	S	*	*			trans	91.1	146.5	168.5	-63.5	-145.9	24.4	0	0	118.8
904	N	25.7	Very low	33.4	Very low	124 Å²	124	132.9 Å²	132.9	66%	0.663	76%	0.756	S	S	*	*			cis	-171.3	150.3	-18.1	177.4	26.8	0	0	0	110.7
905	S	27.5	Very low	33.4	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	75%	0.749	S	S	*	*			trans	62	154.1	158.2	68.5	0	0	0	0	118.7
906	E	28.5	Very low	33.2	Very low	147 Å²	147	137.5 Å²	137.5	69%	0.687	75%	0.754	S	S	*	*			cis	-170	-175	-10.6	-118.3	-161.9	113.6	0	0	108.3
907	R	28.7	Very low	32.2	Very low	171 Å²	171	137.1 Å²	137.1	65%	0.645	75%	0.754	S	S	*	*			cis	-169.4	145.4	0.5	152.6	-178.2	-66.6	176.6	5.3	111.7
908	R	25.8	Very low	32.9	Very low	228 Å²	228	138.1 Å²	138.1	86%	0.86	76%	0.759	S	S	*	*			trans	69.7	139.1	158.6	-84.1	175	-175.5	-178.3	-0.5	123.8
909	S	24	Very low	32.1	Very low	109 Å²	109	142 Å²	142	76%	0.762	77%	0.767	S	S	*	*			trans	-99.1	-164.3	154.3	-33	0	0	0	0	109.4
910	P	51.4	Low	31.3	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	77%	0.769	S	S	*	*			cis	-147.6	-176	13.8	45.6	-24.6	0	0	0	119.5
911	Q	32.8	Very low	32.4	Very low	187 Å²	187	140.2 Å²	140.2	87%	0.874	77%	0.771	S	S	*	*			trans	68.8	136.7	145.9	-83.3	174.5	-2.8	0	0	124.3
912	A	27.7	Very low	32.5	Very low	91 Å²	91	138.8 Å²	138.8	75%	0.752	77%	0.772	S	S	*	*				151.6	95.9	115.4	0	0	0	0	0	117.6
913	S	31.1	Very low	32	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	78%	0.777	S	S	*	*			trans	22.4	150.1	136	57.8	0	0	0	0	126.1
914	V	29.7	Very low	32.2	Very low	131 Å²	131	134.1 Å²	134.1	79%	0.794	77%	0.773	S	S	*	*				143.7	111.5	128.8	172.1	0	0	0	0	117.5
915	L	29.4	Very low	32.2	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	78%	0.781	S	S	*	*			trans	35.7	131.5	138.3	-81.4	158	0	0	0	128.4
916	R	29	Very low	32.4	Very low	236 Å²	236	136.4 Å²	136.4	89%	0.891	78%	0.781	S	S	*	*				85.6	152.7	129.9	-132	176.3	-159.8	177.6	5.7	123.6
917	S	33.8	Very low	33.4	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	79%	0.786	S	S	*	*			trans	-106.6	170.7	-175.9	-9.8	0	0	0	0	114.6
918	P	45.1	Very low	33.2	Very low	134 Å²	134	134.1 Å²	134.1	87%	0.87	79%	0.788	S	S	*	*				-144.2	-157.3	123.5	39.1	-22.6	0	0	0	115.5
919	Q	31.5	Very low	33.2	Very low	197 Å²	197	131.8 Å²	131.8	92%	0.921	79%	0.788	S	S	*	*			trans	-108.7	178.8	-157.7	-66.7	173	-73	0	0	117.1
920	A	32.4	Very low	33.2	Very low	88 Å²	88	131.6 Å²	131.6	73%	0.727	79%	0.786	S	S	*	*			trans	-80.4	-172.4	168.2	0	0	0	0	0	113.2
921	P	49.4	Very low	32	Very low	129 Å²	129	132.2 Å²	132.2	84%	0.838	79%	0.793	S	S	*	*				-141.9	-160.3	85.6	44.2	-28.8	0	0	0	111.2
922	A	32.6	Very low	31.6	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	79%	0.789	S	S	*	*			cis	-157.5	173.3	-2.8	0	0	0	0	0	107.9
923	A	29.9	Very low	32.2	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	79%	0.791	S	S	*	*			cis	-132.9	-107.4	-11.5	0	0	0	0	0	108
924	A	30.1	Very low	32	Very low	89 Å²	89	133 Å²	133	74%	0.736	79%	0.792	S	S	*	*			cis	-172.3	148.9	-20.2	0	0	0	0	0	106.2
925	T	26.1	Very low	33.1	Very low	135 Å²	135	131.4 Å²	131.4	83%	0.828	79%	0.785	S	S	*	*			cis	-157.2	163.7	-16.5	-69.6	0	0	0	0	107.2
926	I	32.5	Very low	32.7	Very low	128 Å²	128	131 Å²	131	66%	0.656	79%	0.792	S	S	*	*			trans	-101.9	157.1	-166	-0.2	177.4	0	0	0	113.5	E928	I926-E928 WeakPolarHBondContact CG2-OE1 3.37Å
927	P	47.6	Very low	32.6	Very low	120 Å²	120	122.9 Å²	122.9	78%	0.779	78%	0.783	S	S	*	*				-146.8	-163.5	83.1	38.8	-20.1	0	0	0	115
928	E	25.6	Very low	32.5	Very low	150 Å²	150	123.5 Å²	123.5	70%	0.701	79%	0.787	S	S	*	*				-146.6	-127.2	-69.4	-70.2	-48.4	50.3	0	0	109.2	I926	I926-E928 WeakPolarHBondContact CG2-OE1 3.37Å
929	E	26	Very low	31.9	Very low	180 Å²	180	122.9 Å²	122.9	84%	0.841	79%	0.786	S	S	*	*			trans	-102.1	155.5	-162.6	-60.6	-170.5	98.4	0	0	119.2
930	S	24.5	Very low	32.1	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	78%	0.782	S	S	*	*			trans	58.9	135.2	141.9	74.9	0	0	0	0	122.8
931	S	25.4	Very low	32	Very low	120 Å²	120	117.3 Å²	117.3	84%	0.839	78%	0.78	S	S	*	*			trans	171.3	153.9	138.4	40.8	0	0	0	0	114.9
932	S	23.5	Very low	31.4	Very low	113 Å²	113	121.5 Å²	121.5	79%	0.79	79%	0.785	S	S	*	*			trans	-108.9	164.2	152.3	-61.6	0	0	0	0	107.1
933	P	41	Very low	31.5	Very low	123 Å²	123	121.4 Å²	121.4	80%	0.799	78%	0.784	S	S	*	*			cis	-148.5	-162.3	27.9	42.5	-19.4	0	0	0	116.7
934	E	26.6	Very low	31.3	Very low	168 Å²	168	122.6 Å²	122.6	79%	0.785	79%	0.786	S	S	*	*			trans	-46.2	177.2	157.3	-71.7	-92.4	114.2	0	0	115.8
935	P	52.1	Low	31.5	Very low	99 Å²	99	130 Å²	130	64%	0.643	80%	0.795	S	S	*	*			cis	-138.6	178.3	-37.3	37.4	-21.3	0	0	0	113.5
936	C	22.5	Very low	32.7	Very low	140 Å²	140	129.3 Å²	129.3	95%	0.946	79%	0.793	S	S	*	*			trans	173	164.4	140.1	-95	0	0	0	0	113.5
937	G	25.5	Very low	32.7	Very low	67 Å²	67	126.8 Å²	126.8	69%	0.691	80%	0.798	S	S	*	*			trans	-174.2	166.1	168.9	0	0	0	0	0	113.8
938	S	33.5	Very low	31.7	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	80%	0.804	S	S	*	*			trans	177.4	154.8	164.3	-89.5	0	0	0	0	115.8
939	S	32.1	Very low	31.9	Very low	121 Å²	121	128.4 Å²	128.4	85%	0.846	81%	0.81	S	S	*	*			trans	69	155.9	158.4	77.1	0	0	0	0	118.9
940	A	36.1	Very low	33.1	Very low	103 Å²	103	124.6 Å²	124.6	85%	0.851	80%	0.801	S	S	*	*			cis	-173.3	170.7	-22.4	0	0	0	0	0	108
941	G	30.3	Very low	33.5	Very low	65 Å²	65	125 Å²	125	67%	0.67	80%	0.803	S	S	*	*			cis	153.9	169.8	-3.8	0	0	0	0	0	112.2
942	K	36.6	Very low	33.7	Very low	218 Å²	218	122.2 Å²	122.2	95%	0.948	79%	0.793	S	S	*	*			trans	81.9	156.5	173.6	-58.2	175.7	178.9	175	0	118.3
943	A	34.7	Very low	34.2	Very low	89 Å²	89	126.4 Å²	126.4	74%	0.736	80%	0.8	S	S	*	*			cis	-175.9	154.6	-27.8	0	0	0	0	0	112.9
944	S	25.3	Very low	33.6	Very low	125 Å²	125	124.4 Å²	124.4	87%	0.874	80%	0.802	S	S	*	*			trans	171.6	172.1	142.1	43.8	0	0	0	0	113.8
945	R	34.1	Very low	33.7	Very low	244 Å²	244	119.8 Å²	119.8	92%	0.921	80%	0.799	S	S	*	*			trans	-161.3	-179.1	-168.4	-102.7	-172.4	177.1	-168.8	-0.7	110.7
946	P	52	Low	32.6	Very low	121 Å²	121	120.7 Å²	120.7	79%	0.786	81%	0.808	S	S	*	*			cis	-121.8	-161.1	-0.2	43.9	-28.7	0	0	0	112.5
947	G	31.1	Very low	32.9	Very low	74 Å²	74	121.6 Å²	121.6	76%	0.763	80%	0.803	S	S	*	*			cis	125.2	113.1	-14.2	0	0	0	0	0	117
948	S	26.7	Very low	33	Very low	129 Å²	129	123.4 Å²	123.4	90%	0.902	81%	0.805	S	S	*	*			trans	-157.4	171.8	167.9	54.8	0	0	0	0	113
949	E	31.2	Very low	32.7	Very low	176 Å²	176	129.1 Å²	129.1	82%	0.822	81%	0.808	S	S	*	*			trans	-141.7	-177.7	-157.1	-84.4	-86.8	159.9	0	0	111.5
950	P	50.5	Low	32.6	Very low	100 Å²	100	127.7 Å²	127.7	65%	0.649	80%	0.798	S	S	*	*			cis	-139.2	-174.3	-0.3	39.8	-19.6	0	0	0	118
951	S	32.4	Very low	32.3	Very low	113 Å²	113	129.5 Å²	129.5	79%	0.79	79%	0.794	S	S	*	*			trans	81.5	135.9	148.9	-62.6	0	0	0	0	121.8
952	G	29	Very low	32.3	Very low	61 Å²	61	131.1 Å²	131.1	63%	0.629	79%	0.794	S	S	*	*			cis	174.9	154.5	-9.3	0	0	0	0	0	117.5
953	H	35.1	Very low	32	Very low	201 Å²	201	127.1 Å²	127.1	93%	0.931	78%	0.783	S	S	*	*			trans	63.7	140.6	164.1	-48.6	-60.1	0	0	0	120.2
954	G	28	Very low	31.7	Very low	81 Å²	81	130.7 Å²	130.7	84%	0.835	78%	0.784	S	S	*	*			cis	167.3	163.1	-5.9	0	0	0	0	0	110.5
955	G	29.1	Very low	31.9	Very low	71 Å²	71	132 Å²	132	73%	0.732	78%	0.781	S	S	*	*			cis	174.3	172.5	-5.2	0	0	0	0	0	111.8
956	S	29.5	Very low	32.3	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	78%	0.777	S	S	*	*			trans	68.3	149	171.8	-65.9	0	0	0	0	118.4
957	L	27.3	Very low	31	Very low	159 Å²	159	124.4 Å²	124.4	83%	0.832	78%	0.778	S	S	*	*			cis	-155.6	169.5	-8	-118.1	169.6	0	0	0	111.3
958	S	27.8	Very low	30.7	Very low	104 Å²	104	126.4 Å²	126.4	73%	0.727	78%	0.78	S	S	*	*			trans	-111	162.5	-164.4	-35	0	0	0	0	115.8
959	R	26.8	Very low	31.5	Very low	238 Å²	238	125.6 Å²	125.6	90%	0.898	77%	0.772	S	S	*	*			trans	172.1	123.1	144.4	-94.9	176.3	164	168.9	-4.2	108.7
960	S	30.9	Very low	31.3	Very low	90 Å²	90	126.4 Å²	126.4	63%	0.629	78%	0.775	S	S	*	*				71.5	137.2	64.1	82	0	0	0	0	113.7
961	N	30.4	Very low	30.3	Very low	142 Å²	142	129.8 Å²	129.8	76%	0.759	78%	0.783	S	S	*	*			cis	-168.4	167.5	6	-122.8	27.4	0	0	0	111.5
962	S	29.5	Very low	30.5	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	78%	0.778	S	S	*	*			trans	67.7	157	145.9	-68.8	0	0	0	0	121
963	L	31	Very low	30.4	Very low	134 Å²	134	133.5 Å²	133.5	70%	0.702	79%	0.785	S	S	*	*			cis	-169.6	167.4	-23.5	-172	57.1	0	0	0	109.9
964	E	27.4	Very low	30.2	Very low	165 Å²	165	131 Å²	131	77%	0.771	78%	0.784	S	S	*	*			trans	78.6	132.3	150.4	-99.7	137.4	-150.6	0	0	124.1
965	N	30.1	Very low	30.4	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	78%	0.783	S	S	*	*			trans	-100.9	178.9	151.3	-108.2	-23.4	0	0	0	106.5
966	P	41.3	Very low	30.3	Very low	126 Å²	126	140.1 Å²	140.1	82%	0.818	79%	0.788	S	S	*	*			cis	-139.5	-165.8	16.1	43	-23.9	0	0	0	114.5
967	G	24.9	Very low	30.4	Very low	80 Å²	80	145.6 Å²	145.6	83%	0.825	79%	0.791	S	S	*	*			trans	130.6	125.4	145.4	0	0	0	0	0	118.3
968	S	26	Very low	30.7	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	79%	0.791	S	S	*	*			trans	-122.8	173.2	161.1	59.6	0	0	0	0	108.2
969	P	42.9	Very low	30.8	Very low	112 Å²	112	145.8 Å²	145.8	73%	0.727	79%	0.791	S	S	*	*			cis	-135.9	164.9	5.8	41.8	-25.7	0	0	0	116.3
970	H	26.6	Very low	31.1	Very low	193 Å²	193	140.7 Å²	140.7	89%	0.894	79%	0.789	S	S	*	*			trans	-167.8	149.9	143.3	-128.5	-87.5	0	0	0	112.7
971	E	29.2	Very low	31.1	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	80%	0.799	S	S	*	*			trans	-103	169	160.6	-98	-166	158.4	0	0	109.5
972	P	37.6	Very low	31.3	Very low	106 Å²	106	143.8 Å²	143.8	69%	0.688	81%	0.807	S	S	*	*			cis	-134.9	-177.3	21.1	42.8	-25.5	0	0	0	116.6
973	D	26.1	Very low	31.4	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	82%	0.815	S	S	*	*			trans	42.8	106.4	154.3	-78.5	-41.9	0	0	0	120.2
974	T	31.4	Very low	31.5	Very low	147 Å²	147	142.8 Å²	142.8	90%	0.902	82%	0.817	S	S	*	*				-157.7	148.1	116.9	2.6	0	0	0	0	113.6
975	L	32.5	Very low	31.7	Very low	155 Å²	155	142.3 Å²	142.3	81%	0.812	82%	0.819	S	S	*	*			trans	-51.8	134.2	178.4	-60.6	158.4	0	0	0	113.8
976	F	27.4	Very low	31.9	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.833	82%	0.82	S	S	*	*				-178.9	123.2	116.8	-102.5	-69.7	0	0	0	112.5
977	Y	31.3	Very low	31.7	Very low	233 Å²	233	143.8 Å²	143.8	91%	0.914	82%	0.817	S	S	*	*			trans	-82.2	126.9	175.6	-97.3	-98.5	0	0	0	112.2
978	H	32.5	Very low	32.7	Very low	179 Å²	179	149.9 Å²	149.9	83%	0.829	82%	0.821	S	S	*	*			trans	-119.4	104.7	165.5	-85.7	-71.2	0	0	0	111.8
979	A	32	Very low	33.5	Very low	88 Å²	88	155.6 Å²	155.6	73%	0.727	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-97.6	138	169.5	0	0	0	0	0	110.7
980	P	32.8	Very low	35	Very low	131 Å²	131	155.7 Å²	155.7	85%	0.851	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61.3	148	175.5	-25.1	35.5	0	0	0	113.7
981	S	30.9	Very low	37.4	Very low	120 Å²	120	151.4 Å²	151.4	84%	0.839	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-90.9	117.9	-166.4	46.8	0	0	0	0	114.4
982	L	34.2	Very low	39.5	Very low	177 Å²	177	148 Å²	148	93%	0.927	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.1	133.5	165.9	-73.1	175	0	0	0	111.2
983	S	31.8	Very low	41.6	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-78.5	151.4	-176.9	52.7	0	0	0	0	113.1
984	A	32.5	Very low	44.1	Very low	90 Å²	90	144.4 Å²	144.4	74%	0.744	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-86.1	130.1	-158.1	0	0	0	0	0	115.4
985	L	31.9	Very low	46.2	Very low	155 Å²	155	143.1 Å²	143.1	81%	0.812	73%	0.731	S	S	*	*			trans	-112.8	104.7	157.9	-82.2	169.7	0	0	0	110	F987	L985-F987 VanDerWaalsContact C-N 3.32Å; L985-F987 PolarHBondContact O-N 3.38Å
986	T	33.7	Very low	48.6	Very low	139 Å²	139	138 Å²	138	85%	0.853	71%	0.707	S	S	*	*			trans	-84.1	63.7	-174	41.6	0	0	0	0	113.4
987	F	37.6	Very low	51.1	Low	171 Å²	171	135 Å²	135	75%	0.75	70%	0.696	S	S	*	*			trans	-72.4	149.7	156.7	-75.9	-85.3	0	0	0	110.2	L985 R989	L985-F987 VanDerWaalsContact C-N 3.32Å; L985-F987 PolarHBondContact O-N 3.38Å; F987-R989 PolarHBondContact O-N 2.97Å
988	K	45.7	Very low	53.3	Low	208 Å²	208	131.9 Å²	131.9	90%	0.904	68%	0.682	S	S	*	*			trans	-60.5	100.8	-176.7	-73.5	-174.7	175	-175.1	0	110.7	Q990	K988-Q990 PolarHBondContact O-N 2.75Å; K988-Q990 VanDerWaalsContact O-N 3.1Å
989	R	43.8	Very low	55.8	Low	235 Å²	235	127.1 Å²	127.1	89%	0.887	67%	0.666	S	S	*	*			trans	-59.9	112.3	173.9	-69.7	-179.7	175.6	170.6	-3.2	109.3	F987	F987-R989 PolarHBondContact O-N 2.97Å
990	Q	73.7	Confident	58.1	Low	113 Å²	113	125 Å²	125	53%	0.528	64%	0.64	S	S	.	*			trans	-79.1	140.6	153.5	-61	-178.7	11.9	0	0	106.6	K988 M992 T999 F1000	K988-Q990 PolarHBondContact O-N 2.75Å; K988-Q990 VanDerWaalsContact O-N 3.1Å; Q990-M992 PolarHBondContact O-N 2.94Å; Q990-T999 PolarHBondContact OE1-OG1 3.02Å; Q990-F1000 CarbonylContact C-O 3.58Å; Q990-F1000 WeakPolarHBondContact CA-O 3.46Å
991	Y	77.4	Confident	60.2	Low	104 Å²	104	127.7 Å²	127.7	41%	0.408	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.2	114.8	-175.6	-64.4	-93.3	0	0	0	108.4	T999 F1000 A1003	Y991-T999 CarbonylContact O-C 3.54Å; Y991-T999 WeakPolarHBondContact O-CA 3.47Å; Y991-F1000 PolarHBondContact N-O 3.1Å; Y991-F1000 WeakPolarHBondContact O-CD2 3.45Å; Y991-F1000 PolarHBondContact O-N 3.22Å; Y991-A1003 HydrophobicContact CD1-CB 4.02Å; Y991-A1003 HydrophobicContact CE1-CB 3.65Å; Y991-A1003 HydrophobicContact CE2-CB 4.43Å
992	M	72.9	Confident	62.5	Low	98 Å²	98	125.2 Å²	125.2	48%	0.483	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	126.4	-174.3	-171.7	174.8	68.5	0	0	110.8	Q990 H997 R998 T999	Q990-M992 PolarHBondContact O-N 2.94Å; M992-H997 HydrophobicContact SD-CB 4.39Å; M992-R998 WeakPolarHBondContact CA-O 3.49Å; M992-T999 HydrophobicContact CB-CG2 4.14Å; M992-T999 HydrophobicContact CG-CG2 4.04Å; M992-T999 HydrophobicContact SD-CG2 4.43Å
993	C	82.4	Confident	64.5	Low	0 Å²	0	119.2 Å²	119.2	0%	0	59%	0.594	C	S	.	*			trans	-69.1	130.6	173.8	179.3	0	0	0	0	110.3	L995 H997 R998 F1000 L1006 E1010	C993-L995 VanDerWaalsContact C-N 3.3Å; C993-L995 PolarHBondContact O-N 3.1Å; C993-H997 WeakPolarHBondContact O-CA 3.25Å; C993-H997 PolarHBondContact O-N 2.96Å; C993-R998 PolarHBondContact N-O 3.47Å; C993-F1000 HydrophobicContact CB-CE2 4.16Å; C993-L1006 VanDerWaalsContact CA-CD1 3.44Å; C993-L1006 HydrophobicContact CB-CD1 3.55Å; C993-E1010 HydrophobicContact CB-CG 4.45Å
994	K	77.5	Confident	66.8	Low	178 Å²	178	120.3 Å²	120.3	77%	0.774	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-22.7	-178.8	-67.8	-176.5	-179.8	178.1	0	113.6
995	L	76.9	Confident	69	Low	121 Å²	121	118.6 Å²	118.6	63%	0.634	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-30.4	-174.6	-58.6	174.7	0	0	0	113	C993 H1013	C993-L995 VanDerWaalsContact C-N 3.3Å; C993-L995 PolarHBondContact O-N 3.1Å; L995-H1013 HydrophobicContact CD1-CB 3.46Å; L995-H1013 VanDerWaalsContact CD1-CB 3.46Å
996	C	82.6	Confident	71.6	Confident	46 Å²	46	112.3 Å²	112.3	31%	0.311	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	2.8	-176.1	75.5	0	0	0	0	115	R998 H1009	C996-R998 PolarHBondContact O-N 2.85Å; C996-H1009 PolarHBondContact SG-NE2 3.5Å
997	H	78.9	Confident	74.1	Confident	127 Å²	127	112.5 Å²	112.5	59%	0.588	52%	0.519	S	S	*	.			trans	56.6	11.2	-178.8	-63.7	-81.8	0	0	0	116.9	M992 C993	M992-H997 HydrophobicContact SD-CB 4.39Å; C993-H997 WeakPolarHBondContact O-CA 3.25Å; C993-H997 PolarHBondContact O-N 2.96Å
998	R	78.8	Confident	76.3	Confident	169 Å²	169	107.5 Å²	107.5	64%	0.638	51%	0.505	S	S	*	.			trans	-67.7	141.3	172.2	-71.9	-178.8	168.4	-171.8	-2.9	111.5	M992 C993 C996 F1000	M992-R998 WeakPolarHBondContact CA-O 3.49Å; C993-R998 PolarHBondContact N-O 3.47Å; C996-R998 PolarHBondContact O-N 2.85Å; R998-F1000 HydrophobicContact CB-CE2 3.72Å; R998-F1000 HydrophobicContact CB-CZ 3.91Å; R998-F1000 WeakPolarHBondContact O-CD2 3.33Å; R998-F1000 WeakPolarHBondContact O-CE2 3.43Å
999	T	83.4	Confident	78.3	Confident	78 Å²	78	99 Å²	99	48%	0.479	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131	-178.5	56.9	0	0	0	0	112.9	Q990 Y991 M992	Q990-T999 PolarHBondContact OE1-OG1 3.02Å; Y991-T999 CarbonylContact O-C 3.54Å; Y991-T999 WeakPolarHBondContact O-CA 3.47Å; M992-T999 HydrophobicContact CB-CG2 4.14Å; M992-T999 HydrophobicContact CG-CG2 4.04Å; M992-T999 HydrophobicContact SD-CG2 4.43Å
1000	F	81.8	Confident	80.2	Confident	43 Å²	43	91 Å²	91	19%	0.189	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.3	-174.1	-62	-87.6	0	0	0	111.7	Q990 Y991 C993 R998 S1005 L1006 H1009	Q990-F1000 CarbonylContact C-O 3.58Å; Q990-F1000 WeakPolarHBondContact CA-O 3.46Å; Y991-F1000 PolarHBondContact N-O 3.1Å; Y991-F1000 WeakPolarHBondContact O-CD2 3.45Å; Y991-F1000 PolarHBondContact O-N 3.22Å; C993-F1000 HydrophobicContact CB-CE2 4.16Å; R998-F1000 HydrophobicContact CB-CE2 3.72Å; R998-F1000 HydrophobicContact CB-CZ 3.91Å; R998-F1000 WeakPolarHBondContact O-CD2 3.33Å; R998-F1000 WeakPolarHBondContact O-CE2 3.43Å; F1000-S1005 WeakPolarHBondContact CD1-O 3.4Å; F1000-L1006 HydrophobicContact CB-CB 4.26Å; F1000-L1006 HydrophobicContact CD2-CB 4.2Å; F1000-L1006 HydrophobicContact CD2-CD1 3.89Å; F1000-L1006 HydrophobicContact CE2-CD1 4.22Å; F1000-L1006 HydrophobicContact CG-CB 4.37Å; F1000-H1009 HydrophobicContact CE1-CB 4.04Å; F1000-H1009 HydrophobicContact CE2-CB 4.19Å; F1000-H1009 AromaticContact CE2-CD2 3.5Å; F1000-H1009 HydrophobicContact CZ-CB 3.67Å; F1000-H1009 AromaticContact CZ-CD2 3.25Å; F1000-H1009 WeakPolarHBondContact CZ-CD2 3.2Å; F1000-H1009 AromaticContact CZ-CG 3.5Å
1001	K	75.1	Confident	80.3	Confident	189 Å²	189	90.2 Å²	90.2	82%	0.822	44%	0.438	S	S	*	.	S	Bend	trans	-82.2	-14.4	-176.4	-67.1	174	-176	166.5	0	113.7
1002	T	80.5	Confident	80.2	Confident	68 Å²	68	88.1 Å²	88.1	42%	0.417	44%	0.438	S	S	.	.	S	Bend	trans	-141.9	155.8	-178.8	61.5	0	0	0	0	110.1	F1004 S1005 L1006	T1002-F1004 VanDerWaalsContact C-N 3.33Å; T1002-F1004 PolarHBondContact O-N 2.92Å; T1002-S1005 PolarHBondContact O-N 2.62Å; T1002-S1005 WeakPolarHBondContact OG1-CB 3.42Å; T1002-S1005 PolarHBondContact OG1-N 3.15Å; T1002-S1005 PolarHBondContact OG1-OG 3.37Å; T1002-S1005 VanDerWaalsContact OG1-OG 3.1Å; T1002-L1006 PolarHBondContact O-N 2.88Å
1003	A	76.2	Confident	80.4	Confident	50 Å²	50	86.3 Å²	86.3	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-38.5	175.9	0	0	0	0	0	112.2	Y991 S1005 L1006 W1007	Y991-A1003 HydrophobicContact CD1-CB 4.02Å; Y991-A1003 HydrophobicContact CE1-CB 3.65Å; Y991-A1003 HydrophobicContact CE2-CB 4.43Å; A1003-S1005 PolarHBondContact O-N 2.92Å; A1003-L1006 WeakPolarHBondContact O-CB 3.49Å; A1003-L1006 PolarHBondContact O-N 3.39Å; A1003-L1006 VanDerWaalsContact O-N 3.13Å; A1003-W1007 PolarHBondContact O-N 3.31Å
1004	F	80.3	Confident	79.1	Confident	144 Å²	144	89.9 Å²	89.9	63%	0.632	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-40	179.6	-172.4	-97.8	0	0	0	112.6	T1002 L1006 W1007 S1008	T1002-F1004 VanDerWaalsContact C-N 3.33Å; T1002-F1004 PolarHBondContact O-N 2.92Å; F1004-L1006 VanDerWaalsContact C-N 3.31Å; F1004-L1006 PolarHBondContact O-N 3.4Å; F1004-W1007 HydrophobicContact CD2-CE3 4.48Å; F1004-W1007 HydrophobicContact CE2-CE3 4.28Å; F1004-W1007 HydrophobicContact CE2-CZ3 4.31Å; F1004-W1007 PolarHBondContact O-N 3.49Å; F1004-S1008 VanDerWaalsContact O-CB 3.28Å; F1004-S1008 WeakPolarHBondContact O-CB 3.44Å; F1004-S1008 PolarHBondContact O-N 2.89Å
1005	S	78.9	Confident	78	Confident	55 Å²	55	89.2 Å²	89.2	39%	0.385	45%	0.453	S	S	.	.	H	α-helix	trans	-72.6	-23	175.3	-60.5	0	0	0	0	113.4	F1000 T1002 A1003 H1009	F1000-S1005 WeakPolarHBondContact CD1-O 3.4Å; T1002-S1005 PolarHBondContact O-N 2.62Å; T1002-S1005 WeakPolarHBondContact OG1-CB 3.42Å; T1002-S1005 PolarHBondContact OG1-N 3.15Å; T1002-S1005 PolarHBondContact OG1-OG 3.37Å; T1002-S1005 VanDerWaalsContact OG1-OG 3.1Å; A1003-S1005 PolarHBondContact O-N 2.92Å; S1005-H1009 WeakPolarHBondContact O-CB 3.47Å
1006	L	86.1	Confident	76.5	Confident	22 Å²	22	94.2 Å²	94.2	12%	0.115	48%	0.475	C	S	.	.	H	α-helix	trans	-71.1	-53.7	166.9	171.4	61.5	0	0	0	110.2	C993 F1000 T1002 A1003 F1004 S1008 H1009 E1010	C993-L1006 VanDerWaalsContact CA-CD1 3.44Å; C993-L1006 HydrophobicContact CB-CD1 3.55Å; F1000-L1006 HydrophobicContact CB-CB 4.26Å; F1000-L1006 HydrophobicContact CD2-CB 4.2Å; F1000-L1006 HydrophobicContact CD2-CD1 3.89Å; F1000-L1006 HydrophobicContact CE2-CD1 4.22Å; F1000-L1006 HydrophobicContact CG-CB 4.37Å; T1002-L1006 PolarHBondContact O-N 2.88Å; A1003-L1006 WeakPolarHBondContact O-CB 3.49Å; A1003-L1006 PolarHBondContact O-N 3.39Å; A1003-L1006 VanDerWaalsContact O-N 3.13Å; F1004-L1006 VanDerWaalsContact C-N 3.31Å; F1004-L1006 PolarHBondContact O-N 3.4Å; L1006-S1008 PolarHBondContact O-N 3.13Å; L1006-H1009 CarbonylContact O-C 3.52Å; L1006-H1009 WeakPolarHBondContact O-CA 3.28Å; L1006-H1009 WeakPolarHBondContact O-CB 3.45Å; L1006-H1009 PolarHBondContact O-N 3.31Å; L1006-E1010 HydrophobicContact CD1-CG 3.85Å; L1006-E1010 HydrophobicContact CG-CG 4.34Å; L1006-E1010 PolarHBondContact O-N 3.47Å
1007	W	85.8	Confident	76.2	Confident	143 Å²	143	96.6 Å²	96.6	54%	0.542	48%	0.484	S	S	.	.	H	α-helix	trans	-57.9	-47.3	-177.7	179.3	79.2	0	0	0	112.1	A1003 F1004 H1009 E1010 Q1011	A1003-W1007 PolarHBondContact O-N 3.31Å; F1004-W1007 HydrophobicContact CD2-CE3 4.48Å; F1004-W1007 HydrophobicContact CE2-CE3 4.28Å; F1004-W1007 HydrophobicContact CE2-CZ3 4.31Å; F1004-W1007 PolarHBondContact O-N 3.49Å; W1007-H1009 PolarHBondContact O-N 3.44Å; W1007-H1009 VanDerWaalsContact O-N 3.15Å; W1007-E1010 PolarHBondContact O-N 2.89Å; W1007-E1010 VanDerWaalsContact O-N 3.1Å; W1007-Q1011 HydrophobicContact CD2-CG 4.24Å; W1007-Q1011 HydrophobicContact CH2-CG 4.44Å; W1007-Q1011 HydrophobicContact CZ2-CG 4.14Å; W1007-Q1011 VanDerWaalsContact CZ2-NE2 3.27Å; W1007-Q1011 WeakPolarHBondContact O-CG 3.41Å; W1007-Q1011 PolarHBondContact O-N 3.04Å
1008	S	84.4	Confident	76	Confident	67 Å²	67	95 Å²	95	47%	0.469	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-20.5	174.5	178.3	0	0	0	0	113.8	F1004 L1006	F1004-S1008 VanDerWaalsContact O-CB 3.28Å; F1004-S1008 WeakPolarHBondContact O-CB 3.44Å; F1004-S1008 PolarHBondContact O-N 2.89Å; L1006-S1008 PolarHBondContact O-N 3.13Å
1009	H	86.6	Confident	75.9	Confident	30 Å²	30	90.9 Å²	90.9	14%	0.139	47%	0.469	C	S	.	.	H	α-helix	trans	-90.1	-34.5	172.3	-179.5	48.2	0	0	0	112.3	C996 F1000 S1005 L1006 W1007 Q1011 S1012 H1013	C996-H1009 PolarHBondContact SG-NE2 3.5Å; F1000-H1009 HydrophobicContact CE1-CB 4.04Å; F1000-H1009 HydrophobicContact CE2-CB 4.19Å; F1000-H1009 AromaticContact CE2-CD2 3.5Å; F1000-H1009 HydrophobicContact CZ-CB 3.67Å; F1000-H1009 AromaticContact CZ-CD2 3.25Å; F1000-H1009 WeakPolarHBondContact CZ-CD2 3.2Å; F1000-H1009 AromaticContact CZ-CG 3.5Å; S1005-H1009 WeakPolarHBondContact O-CB 3.47Å; L1006-H1009 CarbonylContact O-C 3.52Å; L1006-H1009 WeakPolarHBondContact O-CA 3.28Å; L1006-H1009 WeakPolarHBondContact O-CB 3.45Å; L1006-H1009 PolarHBondContact O-N 3.31Å; W1007-H1009 PolarHBondContact O-N 3.44Å; W1007-H1009 VanDerWaalsContact O-N 3.15Å; H1009-Q1011 VanDerWaalsContact C-N 3.26Å; H1009-Q1011 PolarHBondContact O-N 3.2Å; H1009-S1012 PolarHBondContact ND1-OG 3.1Å; H1009-S1012 WeakPolarHBondContact O-CA 3.35Å; H1009-S1012 WeakPolarHBondContact O-CB 3.16Å; H1009-S1012 PolarHBondContact O-N 2.93Å; H1009-S1012 PolarHBondContact O-OG 2.94Å; H1009-H1013 AromaticContact CD2-NE2 3.71Å; H1009-H1013 AromaticContact CE1-CD2 4Å; H1009-H1013 AromaticContact CE1-CE1 3.98Å; H1009-H1013 AromaticContact CE1-NE2 3.22Å; H1009-H1013 PolarHBondContact CE1-NE2 3.26Å; H1009-H1013 AromaticContact ND1-NE2 4Å; H1009-H1013 AromaticContact NE2-CD2 3.96Å; H1009-H1013 AromaticContact NE2-CE1 3.92Å; H1009-H1013 AromaticContact NE2-NE2 3.02Å; H1009-H1013 PolarHBondContact NE2-NE2 3.27Å; H1009-H1013 PolarHBondContact O-CD2 3.18Å
1010	E	83.9	Confident	75.4	Confident	67 Å²	67	91.6 Å²	91.6	31%	0.313	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-35.7	172.8	-72.7	178.3	151.8	0	0	110.8	C993 L1006 W1007 S1012 H1013	C993-E1010 HydrophobicContact CB-CG 4.45Å; L1006-E1010 HydrophobicContact CD1-CG 3.85Å; L1006-E1010 HydrophobicContact CG-CG 4.34Å; L1006-E1010 PolarHBondContact O-N 3.47Å; W1007-E1010 PolarHBondContact O-N 2.89Å; W1007-E1010 VanDerWaalsContact O-N 3.1Å; E1010-S1012 PolarHBondContact O-N 3.44Å; E1010-H1013 PolarHBondContact O-N 2.83Å
1011	Q	76.4	Confident	75.1	Confident	95 Å²	95	94.7 Å²	94.7	44%	0.444	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	168.4	-61.5	-67.8	10.1	0	0	114.7	W1007 H1009 S1014	W1007-Q1011 HydrophobicContact CD2-CG 4.24Å; W1007-Q1011 HydrophobicContact CH2-CG 4.44Å; W1007-Q1011 HydrophobicContact CZ2-CG 4.14Å; W1007-Q1011 VanDerWaalsContact CZ2-NE2 3.27Å; W1007-Q1011 WeakPolarHBondContact O-CG 3.41Å; W1007-Q1011 PolarHBondContact O-N 3.04Å; H1009-Q1011 VanDerWaalsContact C-N 3.26Å; H1009-Q1011 PolarHBondContact O-N 3.2Å; Q1011-S1014 WeakPolarHBondContact CA-OG 3.43Å; Q1011-S1014 PolarHBondContact O-OG 3.21Å; Q1011-S1014 PolarHBondContact OE1-OG 2.9Å
1012	S	75.3	Confident	75	Confident	60 Å²	60	88.4 Å²	88.4	42%	0.42	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.2	171.5	67.8	0	0	0	0	113.6	H1009 E1010	H1009-S1012 PolarHBondContact ND1-OG 3.1Å; H1009-S1012 WeakPolarHBondContact O-CA 3.35Å; H1009-S1012 WeakPolarHBondContact O-CB 3.16Å; H1009-S1012 PolarHBondContact O-N 2.93Å; H1009-S1012 PolarHBondContact O-OG 2.94Å; E1010-S1012 PolarHBondContact O-N 3.44Å
1013	H	76.5	Confident	74.7	Confident	61 Å²	61	89.9 Å²	89.9	28%	0.282	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-10.4	168.6	-63.5	-85	0	0	0	112.9	L995 H1009 E1010 H1015	L995-H1013 HydrophobicContact CD1-CB 3.46Å; L995-H1013 VanDerWaalsContact CD1-CB 3.46Å; H1009-H1013 AromaticContact CD2-NE2 3.71Å; H1009-H1013 AromaticContact CE1-CD2 4Å; H1009-H1013 AromaticContact CE1-CE1 3.98Å; H1009-H1013 AromaticContact CE1-NE2 3.22Å; H1009-H1013 PolarHBondContact CE1-NE2 3.26Å; H1009-H1013 AromaticContact ND1-NE2 4Å; H1009-H1013 AromaticContact NE2-CD2 3.96Å; H1009-H1013 AromaticContact NE2-CE1 3.92Å; H1009-H1013 AromaticContact NE2-NE2 3.02Å; H1009-H1013 PolarHBondContact NE2-NE2 3.27Å; H1009-H1013 PolarHBondContact O-CD2 3.18Å; E1010-H1013 PolarHBondContact O-N 2.83Å; H1013-H1015 VanDerWaalsContact C-N 3.33Å
1014	S	55.7	Low	74.5	Confident	74 Å²	74	92.9 Å²	92.9	52%	0.517	47%	0.471	S	S	.	.	S	Bend	trans	-96.3	20.2	176.4	58.5	0	0	0	0	113.1	Q1011	Q1011-S1014 WeakPolarHBondContact CA-OG 3.43Å; Q1011-S1014 PolarHBondContact O-OG 3.21Å; Q1011-S1014 PolarHBondContact OE1-OG 2.9Å
1015	H	53.4	Low	74.1	Confident	165 Å²	165	88.7 Å²	88.7	76%	0.764	46%	0.458	S	S	*	.			trans	-137	20.8	-179.6	-139.9	-55.7	0	0	0	112	H1013	H1013-H1015 VanDerWaalsContact C-N 3.33Å
1016	M	45.9	Very low	73.6	Confident	225 Å²	225	91.7 Å²	91.7	100%	1.108	47%	0.465	S	S	*	.			trans	-138.6	0	173.5	-64.8	-89.4	77.4	0	0	107.7

Retrieved 1,016 of 1,016 residues in 203.6 ms (Link to these results)

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