A0A5K4F5F2_SCHMA Loading...

Glutamate receptor AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5F2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 885 aa.

						>A0A5K4F5F2_SCHMA|A0A5K4F5F2
MRSISNLVKSSQHYWRENRSRLLVQGVVYDDVFDQANYNLTDLFLALKPTLEHYADISTRNSTLPRSQKFKFTIEKFFINQLCSLISHGVHLVLSLTACSTAEYLESEAYRYHLPHVAIPRPTCEEKQITKVTETTTIWIQTNPFRMAKALLEISEMERASHALLLADGLTAIIPGIYDLTLRRKIENKRFYTDFSTQLFSSNKCINSFSSFSGITLDQFIETLGENRSKITITKSYLTHIFFIHTKPYHLNYLRKVFEKSNITKNYYWIFDEIPDVPISDLLNFIASSNAEKMKVGFFRQFPVLNFDDLSKHELPKSTQLLIKSALLGETHSLPERVTISAYMIMMGSQIATYIKSFNSTYLDRSGISCHQINPIVDDFGGRLFYNFLRHRSGTNFWKSLWFYSLETFDDAMKNFISTAHYTPDDNMKLTSKGMIIKQRSLESGLFSTVFQSFNHKTLRISTILDPPFVVTGQVIGNGEIINATGFAIDVLNELAIHFNFSYRLFVPQNGTYGSLDEKGEWDGMMGELVNGRVDMIAAGLTINPRRSNYVEFIGPIVEDTVGILVKPSTANDLFFQMFHLFQINVWIAITSSVVVLGTTVWLFNKYSPLSGWNLQLPEANSNEVSLPYNLWISLRCMLLQGQEGRLFCFSSRTLSLMYWFMILVVHAIWQADLTAFLTKNNLKLPISSLKDLAYNDKIIVLTMKGTSTYNMFKVSVNNTFYESIYRKLVANPVSVYSTGEAVKLVVKSDNYVYITERLFLLSVLQSEECSNLEVIEEPGIVVALGFAVHLGKEYAKPMSSYMLTLRERGIINKFMVKWNMTSDVDPMRVQYQALTIWNVAGAFIVTSIFTGISLFILLVEWVWYRWRSRKNMDTNSNKNNNNGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42.3	Very low	42.1	Very low	210 Å²	210	111.9 Å²	111.9	100%	1.034	58%	0.584	S	S	*	*				0	-41.1	0	-80.8	178.5	176.6	0	0	114.4
2	R	44.7	Very low	41.4	Very low	228 Å²	228	111.9 Å²	111.9	86%	0.86	58%	0.579	S	S	*	*	H	α-helix	trans	-71.5	-31	176.7	-82.6	-178.3	176	175	-1.1	115.3	S5	R2-S5 PolarHBondContact O-N 3.42Å; R2-S5 PolarHBondContact O-OG 3.29Å
3	S	44.9	Very low	40.8	Very low	88 Å²	88	113.7 Å²	113.7	62%	0.615	58%	0.582	S	S	*	*	H	α-helix	trans	-71.2	-31.8	178.5	59.8	0	0	0	0	113.9
4	I	47.2	Very low	39.9	Very low	111 Å²	111	118.9 Å²	118.9	57%	0.569	59%	0.593	S	S	*	*	H	α-helix	trans	-73.6	-31	178.8	-59.6	170.9	0	0	0	110.7	N6 L7 V8	I4-N6 VanDerWaalsContact C-N 3.32Å; I4-N6 PolarHBondContact O-N 3.36Å; I4-L7 PolarHBondContact O-N 3.12Å; I4-V8 WeakPolarHBondContact O-CG2 3.46Å; I4-V8 PolarHBondContact O-N 2.84Å; I4-V8 VanDerWaalsContact O-N 3.12Å
5	S	46.8	Very low	39.1	Very low	55 Å²	55	123.7 Å²	123.7	39%	0.385	60%	0.602	S	S	.	*	H	α-helix	trans	-67.8	-28.4	178.2	75.8	0	0	0	0	114	R2 K9	R2-S5 PolarHBondContact O-N 3.42Å; R2-S5 PolarHBondContact O-OG 3.29Å; S5-K9 PolarHBondContact O-N 2.99Å
6	N	43.5	Very low	38.7	Very low	111 Å²	111	129.6 Å²	129.6	59%	0.594	62%	0.615	S	S	*	*	H	α-helix	trans	-79.9	-29.8	177.2	-77.2	-8.6	0	0	0	112.4	I4 V8 K9 S10	I4-N6 VanDerWaalsContact C-N 3.32Å; I4-N6 PolarHBondContact O-N 3.36Å; N6-V8 VanDerWaalsContact C-N 3.34Å; N6-K9 PolarHBondContact O-N 3.07Å; N6-S10 PolarHBondContact O-N 2.9Å; N6-S10 PolarHBondContact O-OG 3.33Å
7	L	38.2	Very low	38.4	Very low	122 Å²	122	127.5 Å²	127.5	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-71.3	-28.9	170.7	-86.7	151.7	0	0	0	112.5	I4 S10 S11	I4-L7 PolarHBondContact O-N 3.12Å; L7-S10 PolarHBondContact O-OG 2.93Å; L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 3.12Å; L7-S11 VanDerWaalsContact O-N 3.14Å; L7-S11 PolarHBondContact O-OG 3.46Å; L7-S11 VanDerWaalsContact O-OG 3.14Å
8	V	44	Very low	38.2	Very low	67 Å²	67	127.9 Å²	127.9	41%	0.406	61%	0.611	S	S	.	*	H	α-helix	trans	-77.2	-31.2	171.8	179	0	0	0	0	111.7	I4 N6 S11 Q12	I4-V8 WeakPolarHBondContact O-CG2 3.46Å; I4-V8 PolarHBondContact O-N 2.84Å; I4-V8 VanDerWaalsContact O-N 3.12Å; N6-V8 VanDerWaalsContact C-N 3.34Å; V8-S11 WeakPolarHBondContact CA-OG 3.33Å; V8-S11 PolarHBondContact O-OG 3.01Å; V8-S11 VanDerWaalsContact O-OG 3.06Å; V8-Q12 HydrophobicContact CG1-CG 4.37Å; V8-Q12 VanDerWaalsContact O-CB 3.25Å; V8-Q12 WeakPolarHBondContact O-CB 3.44Å; V8-Q12 VanDerWaalsContact O-CG 3.25Å; V8-Q12 WeakPolarHBondContact O-CG 3.25Å; V8-Q12 PolarHBondContact O-N 2.9Å
9	K	40.6	Very low	38.5	Very low	133 Å²	133	132.7 Å²	132.7	58%	0.578	62%	0.623	S	S	*	*	H	α-helix	trans	-77.1	-34.5	174.5	-78.7	-177.9	176.3	-178.6	0	113.4	S5 N6 Q12 H13	S5-K9 PolarHBondContact O-N 2.99Å; N6-K9 PolarHBondContact O-N 3.07Å; K9-Q12 PolarHBondContact O-N 3.4Å; K9-H13 PolarHBondContact O-CD2 3.29Å; K9-H13 PolarHBondContact O-N 3.18Å
10	S	36.6	Very low	39.1	Very low	63 Å²	63	128.4 Å²	128.4	44%	0.441	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-35.9	172	66.5	0	0	0	0	111.4	N6 L7 Y14	N6-S10 PolarHBondContact O-N 2.9Å; N6-S10 PolarHBondContact O-OG 3.33Å; L7-S10 PolarHBondContact O-OG 2.93Å; S10-Y14 PolarHBondContact O-N 3.37Å; S10-Y14 VanDerWaalsContact O-N 3.1Å
11	S	34.3	Very low	40.3	Very low	43 Å²	43	128.4 Å²	128.4	30%	0.301	60%	0.602	S	S	.	*	H	α-helix	trans	-70.8	-39.1	172.1	71.4	0	0	0	0	112	L7 V8 H13 Y14 W15	L7-S11 WeakPolarHBondContact O-CB 3.38Å; L7-S11 PolarHBondContact O-N 3.12Å; L7-S11 VanDerWaalsContact O-N 3.14Å; L7-S11 PolarHBondContact O-OG 3.46Å; L7-S11 VanDerWaalsContact O-OG 3.14Å; V8-S11 WeakPolarHBondContact CA-OG 3.33Å; V8-S11 PolarHBondContact O-OG 3.01Å; V8-S11 VanDerWaalsContact O-OG 3.06Å; S11-H13 PolarHBondContact O-N 3.33Å; S11-Y14 CarbonylContact O-C 3.59Å; S11-Y14 WeakPolarHBondContact O-CA 3.47Å; S11-Y14 WeakPolarHBondContact O-CB 3.36Å; S11-Y14 PolarHBondContact O-N 3.15Å; S11-Y14 VanDerWaalsContact O-N 3.13Å; S11-W15 WeakPolarHBondContact O-CB 3.17Å; S11-W15 PolarHBondContact O-N 2.79Å
12	Q	34	Very low	41.6	Very low	112 Å²	112	122.9 Å²	122.9	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-68.2	-30.7	176.3	-80.5	-177.7	-9	0	0	113.9	V8 K9 W15 R16	V8-Q12 HydrophobicContact CG1-CG 4.37Å; V8-Q12 VanDerWaalsContact O-CB 3.25Å; V8-Q12 WeakPolarHBondContact O-CB 3.44Å; V8-Q12 VanDerWaalsContact O-CG 3.25Å; V8-Q12 WeakPolarHBondContact O-CG 3.25Å; V8-Q12 PolarHBondContact O-N 2.9Å; K9-Q12 PolarHBondContact O-N 3.4Å; Q12-W15 PolarHBondContact O-N 3.27Å; Q12-R16 PolarHBondContact O-N 2.85Å
13	H	32.8	Very low	43	Very low	135 Å²	135	112.2 Å²	112.2	63%	0.625	54%	0.536	S	S	*	.	H	α-helix	trans	-69.3	-37	168.7	-92.6	-80.7	0	0	0	111.7	K9 S11	K9-H13 PolarHBondContact O-CD2 3.29Å; K9-H13 PolarHBondContact O-N 3.18Å; S11-H13 PolarHBondContact O-N 3.33Å
14	Y	28.8	Very low	44.6	Very low	186 Å²	186	108.6 Å²	108.6	73%	0.729	51%	0.511	S	S	*	.	H	α-helix	trans	-67.3	-36.9	171.1	-113.4	-91.8	0	0	0	113.1	S10 S11 E17	S10-Y14 PolarHBondContact O-N 3.37Å; S10-Y14 VanDerWaalsContact O-N 3.1Å; S11-Y14 CarbonylContact O-C 3.59Å; S11-Y14 WeakPolarHBondContact O-CA 3.47Å; S11-Y14 WeakPolarHBondContact O-CB 3.36Å; S11-Y14 PolarHBondContact O-N 3.15Å; S11-Y14 VanDerWaalsContact O-N 3.13Å; Y14-E17 PolarHBondContact O-N 3.16Å
15	W	27.7	Very low	46.3	Very low	192 Å²	192	103.6 Å²	103.6	73%	0.727	49%	0.485	S	S	*	.	H	α-helix	trans	-76.1	-30.6	-179.1	-76.1	114.4	0	0	0	113.1	S11 Q12 E17	S11-W15 WeakPolarHBondContact O-CB 3.17Å; S11-W15 PolarHBondContact O-N 2.79Å; Q12-W15 PolarHBondContact O-N 3.27Å; W15-E17 PolarHBondContact O-N 2.82Å
16	R	32.4	Very low	48	Very low	217 Å²	217	101 Å²	101	82%	0.819	47%	0.466	S	S	*	.	H	α-helix	trans	-72.1	-17.8	172.9	-83.5	-173.2	174.5	-177.7	-0.8	113.3	Q12	Q12-R16 PolarHBondContact O-N 2.85Å
17	E	33.4	Very low	49.9	Very low	95 Å²	95	95.7 Å²	95.7	44%	0.444	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.3	179.9	-80.8	-172.6	-169.4	0	0	114.9	Y14 W15 R66	Y14-E17 PolarHBondContact O-N 3.16Å; W15-E17 PolarHBondContact O-N 2.82Å; E17-R66 PolarHBondContact O-NH1 2.73Å; E17-R66 VanDerWaalsContact O-NH1 3.08Å; E17-R66 IonicContact OE2-CZ 3.4Å; E17-R66 IonicContact OE2-NH2 2.81Å; E17-R66 PolarHBondContact OE2-NH2 3.06Å
18	N	35.9	Very low	52.1	Low	134 Å²	134	89.9 Å²	89.9	72%	0.717	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	6.8	-174.2	-113.4	1.5	0	0	0	115.8	S20	N18-S20 PolarHBondContact O-N 2.79Å; N18-S20 VanDerWaalsContact O-N 3.17Å
19	R	43.5	Very low	54	Low	220 Å²	220	87.7 Å²	87.7	83%	0.83	39%	0.392	S	S	*	.	S	Bend	trans	-74.3	107.9	168.9	-78.6	-172.7	178.9	-177.8	-0.3	108.8	R21	R19-R21 PolarHBondContact O-N 3.47Å
20	S	50.9	Low	55.9	Low	46 Å²	46	81.7 Å²	81.7	32%	0.322	37%	0.367	S	S	.	.			trans	-45.2	114.3	162.5	54.5	0	0	0	0	108.6	N18	N18-S20 PolarHBondContact O-N 2.79Å; N18-S20 VanDerWaalsContact O-N 3.17Å
21	R	63.8	Low	57.6	Low	128 Å²	128	83.6 Å²	83.6	48%	0.483	37%	0.372	S	S	.	.			trans	-71.2	138.9	179.9	-72.8	-173.8	-179.1	170.8	0.5	109.3	R19 K69 D364	R19-R21 PolarHBondContact O-N 3.47Å; R21-K69 PolarHBondContact O-N 2.95Å; R21-D364 WeakPolarHBondContact CD-OD1 3.39Å; R21-D364 IonicContact CZ-OD1 2.78Å; R21-D364 IonicContact CZ-OD2 2.77Å; R21-D364 IonicContact NE-OD1 3.97Å; R21-D364 IonicContact NH1-OD1 3.94Å; R21-D364 PolarHBondContact NH1-OD1 2.87Å; R21-D364 IonicContact NH1-OD2 3.67Å; R21-D364 PolarHBondContact NH1-OD2 2.97Å
22	L	69.1	Low	59	Low	95 Å²	95	84.6 Å²	84.6	50%	0.497	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.7	-175.4	-78.8	149.5	0	0	0	110.1	V24 K69 K71	L22-V24 HydrophobicContact CB-CG2 4.26Å; L22-K69 CarbonylContact C-O 3.51Å; L22-K69 VanDerWaalsContact CA-O 3.28Å; L22-K69 WeakPolarHBondContact CA-O 3.27Å; L22-K69 HydrophobicContact CD2-CB 3.96Å; L22-K71 HydrophobicContact CD2-CB 4.07Å; L22-K71 HydrophobicContact CD2-CD 4.45Å
23	L	74	Confident	60.3	Low	3 Å²	3	79.5 Å²	79.5	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.7	165.2	-70.3	174.2	0	0	0	107.8	Q68 K69 F70 K71 A352 L363	L23-Q68 HydrophobicContact CD1-CB 4.35Å; L23-Q68 HydrophobicContact CG-CB 4.48Å; L23-K69 PolarHBondContact N-O 3.01Å; L23-F70 HydrophobicContact CB-CD2 4.14Å; L23-K71 PolarHBondContact O-N 3.41Å; L23-K71 VanDerWaalsContact O-O 3.08Å; L23-A352 HydrophobicContact CD1-CB 3.84Å; L23-A352 HydrophobicContact CD2-CB 4.08Å; L23-L363 HydrophobicContact CD2-CB 4.31Å; L23-L363 HydrophobicContact CD2-CD1 4.38Å; L23-L363 HydrophobicContact CD2-CD2 4.17Å
24	V	78.2	Confident	61.5	Low	13 Å²	13	75.6 Å²	75.6	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	-179.8	-164	0	0	0	0	111	L22 K71 T73 G89 V90 H91	L22-V24 HydrophobicContact CB-CG2 4.26Å; V24-K71 VanDerWaalsContact CA-O 3.25Å; V24-K71 WeakPolarHBondContact CA-O 3.32Å; V24-T73 HydrophobicContact CG1-CG2 4.08Å; V24-G89 WeakPolarHBondContact CB-O 3.3Å; V24-V90 HydrophobicContact CB-CG2 4.36Å; V24-V90 HydrophobicContact CG1-CG2 3.84Å; V24-V90 WeakPolarHBondContact O-CA 3.14Å; V24-H91 PolarHBondContact O-N 2.65Å; V24-H91 PolarHBondContact O-ND1 3.49Å
25	Q	84.4	Confident	63	Low	5 Å²	5	67.8 Å²	67.8	2%	0.023	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146	167.5	-63	-175.3	-3.1	0	0	110.2	F70 K71 F72 T73 L92 I345 S349	Q25-F70 HydrophobicContact CB-CZ 4.23Å; Q25-F70 VanDerWaalsContact CD-CE2 3.47Å; Q25-F70 VanDerWaalsContact CD-CZ 3.41Å; Q25-F70 HydrophobicContact CG-CE2 3.69Å; Q25-F70 HydrophobicContact CG-CZ 3.81Å; Q25-K71 PolarHBondContact N-O 2.94Å; Q25-K71 VanDerWaalsContact N-O 3.09Å; Q25-F72 HydrophobicContact CB-CB 4.33Å; Q25-F72 CarbonylContact O-C 3.5Å; Q25-F72 WeakPolarHBondContact O-CA 3.36Å; Q25-F72 WeakPolarHBondContact O-CB 3.45Å; Q25-T73 PolarHBondContact O-N 3.46Å; Q25-T73 PolarHBondContact O-OG1 3.34Å; Q25-L92 HydrophobicContact CG-CB 4.11Å; Q25-I345 PolarHBondContact NE2-O 2.86Å; Q25-I345 PolarHBondContact OE1-O 3.31Å; Q25-S349 VanDerWaalsContact NE2-N 3.12Å
26	G	82.3	Confident	64.2	Low	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131	-178.6	0	0	0	0	0	111.4	T73 V90 L92 V93 L94	G26-T73 CarbonylContact C-O 3.56Å; G26-T73 WeakPolarHBondContact CA-O 3.39Å; G26-V90 VanDerWaalsContact N-CG1 3.34Å; G26-L92 PolarHBondContact N-O 2.99Å; G26-V93 CarbonylContact O-C 3.56Å; G26-V93 VanDerWaalsContact O-CA 3.29Å; G26-V93 WeakPolarHBondContact O-CA 3.42Å; G26-L94 PolarHBondContact O-N 3.43Å
27	V	83.6	Confident	65.6	Low	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.2	167.9	-177.1	0	0	0	0	107.7	F44 F72 T73 I74 E75 L94 L96 I345	V27-F44 HydrophobicContact CG1-CE1 4.44Å; V27-F44 HydrophobicContact CG1-CE2 4.11Å; V27-F44 HydrophobicContact CG1-CZ 3.95Å; V27-F72 HydrophobicContact CG2-CD2 4.35Å; V27-T73 PolarHBondContact N-O 2.91Å; V27-I74 HydrophobicContact CB-CG1 4.43Å; V27-I74 HydrophobicContact CB-CG2 4.49Å; V27-I74 WeakPolarHBondContact O-CA 3.36Å; V27-E75 PolarHBondContact O-N 2.91Å; V27-L94 CarbonylContact C-O 3.48Å; V27-L94 WeakPolarHBondContact CA-O 3.42Å; V27-L94 HydrophobicContact CG2-CD1 4.44Å; V27-L96 HydrophobicContact CG1-CD1 3.78Å; V27-I345 HydrophobicContact CG2-CD1 3.73Å; V27-I345 HydrophobicContact CG2-CG1 4.42Å
28	V	83.5	Confident	67.2	Low	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	177.7	-179.9	0	0	0	0	108.8	E75 F77 L85 V93 L94 S95 L96 L105	V28-E75 WeakPolarHBondContact CA-O 3.27Å; V28-F77 HydrophobicContact CG1-CB 3.79Å; V28-F77 HydrophobicContact CG1-CD2 3.98Å; V28-F77 HydrophobicContact CG1-CG 4.39Å; V28-L85 HydrophobicContact CG2-CD1 3.36Å; V28-V93 HydrophobicContact CG2-CG1 3.93Å; V28-L94 PolarHBondContact N-O 2.91Å; V28-S95 CarbonylContact O-C 3.55Å; V28-S95 VanDerWaalsContact O-CA 3.29Å; V28-S95 WeakPolarHBondContact O-CA 3.3Å; V28-L96 PolarHBondContact O-N 3.34Å; V28-L105 HydrophobicContact CB-CD1 4.43Å; V28-L105 HydrophobicContact CG1-CD1 4.03Å
29	Y	85	Confident	69	Low	21 Å²	21	51.8 Å²	51.8	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155.2	176.3	71.8	-81.6	0	0	0	110.6	D34 L40 T41 I74 E75 K76 F77 L96	Y29-D34 HydrophobicContact CD2-CB 4.27Å; Y29-D34 HydrophobicContact CE2-CB 4.04Å; Y29-L40 HydrophobicContact CD2-CD1 4.08Å; Y29-L40 HydrophobicContact CG-CD1 4.48Å; Y29-T41 PolarHBondContact OH-OG1 3.2Å; Y29-I74 HydrophobicContact CD1-CG2 3.76Å; Y29-I74 HydrophobicContact CE1-CG2 3.79Å; Y29-E75 VanDerWaalsContact CD1-O 3.29Å; Y29-E75 WeakPolarHBondContact CD1-O 3.28Å; Y29-E75 PolarHBondContact N-O 2.9Å; Y29-K76 HydrophobicContact CE1-CB 4.14Å; Y29-K76 HydrophobicContact CE2-CB 4.37Å; Y29-K76 HydrophobicContact CE2-CG 4.33Å; Y29-K76 CarbonylContact O-C 3.55Å; Y29-K76 WeakPolarHBondContact O-CA 3.47Å; Y29-F77 WeakPolarHBondContact O-CB 3.28Å; Y29-F77 PolarHBondContact O-N 3.4Å; Y29-L96 WeakPolarHBondContact CA-O 3.37Å
30	D	80.4	Confident	70.5	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.043	23%	0.228	C	C	.	.			trans	-112.2	166.9	179.5	68.2	0.5	0	0	0	113.3	V32 F33 D34 F77 T97 A98	D30-V32 PolarHBondContact O-N 3.14Å; D30-V32 VanDerWaalsContact O-N 3.15Å; D30-V32 PolarHBondContact OD1-N 2.77Å; D30-F33 PolarHBondContact O-N 3.29Å; D30-F33 PolarHBondContact OD1-N 3.41Å; D30-F33 VanDerWaalsContact OD1-N 3.16Å; D30-D34 PolarHBondContact O-N 3.1Å; D30-D34 VanDerWaalsContact O-N 3.14Å; D30-F77 HydrophobicContact CB-CB 4.19Å; D30-T97 HydrophobicContact CB-CG2 3.92Å; D30-T97 WeakPolarHBondContact OD2-CA 3.31Å; D30-T97 WeakPolarHBondContact OD2-CB 3.3Å; D30-A98 WeakPolarHBondContact OD2-CB 3.47Å; D30-A98 PolarHBondContact OD2-N 3.02Å
31	D	71.6	Confident	71.8	Confident	102 Å²	102	41 Å²	41	55%	0.545	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.3	176.3	-82.1	-47.2	0	0	0	113.3	F33 K76	D31-F33 PolarHBondContact O-N 3.24Å; D31-K76 WeakPolarHBondContact OD1-CE 3.39Å; D31-K76 IonicContact OD1-NZ 2.71Å; D31-K76 PolarHBondContact OD1-NZ 2.87Å; D31-K76 WeakPolarHBondContact OD2-CE 3.31Å; D31-K76 IonicContact OD2-NZ 4Å; D31-K76 PolarHBondContact OD2-NZ 3.32Å; D31-K76 VanDerWaalsContact OD2-NZ 3.09Å
32	V	64.3	Low	72.7	Confident	64 Å²	64	39.3 Å²	39.3	39%	0.388	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.5	-178.8	179.9	0	0	0	0	110.6	D30 R121 P248	D30-V32 PolarHBondContact O-N 3.14Å; D30-V32 VanDerWaalsContact O-N 3.15Å; D30-V32 PolarHBondContact OD1-N 2.77Å; V32-R121 PolarHBondContact O-NH2 3.4Å; V32-P248 HydrophobicContact CG1-CG 4.44Å
33	F	60.8	Low	73.3	Confident	6 Å²	6	36.6 Å²	36.6	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-29.7	177	-170.4	-145.2	0	0	0	113.8	D30 D31 Q35 L40 L96 D276 R337 V338	D30-F33 PolarHBondContact O-N 3.29Å; D30-F33 PolarHBondContact OD1-N 3.41Å; D30-F33 VanDerWaalsContact OD1-N 3.16Å; D31-F33 PolarHBondContact O-N 3.24Å; F33-Q35 PolarHBondContact O-N 2.97Å; F33-L40 HydrophobicContact CB-CD1 3.93Å; F33-L40 HydrophobicContact CD1-CD1 3.02Å; F33-L40 HydrophobicContact CD1-CD2 3.81Å; F33-L40 HydrophobicContact CD1-CG 3.98Å; F33-L40 HydrophobicContact CD2-CD1 4.11Å; F33-L40 HydrophobicContact CE1-CD1 3.39Å; F33-L40 HydrophobicContact CE1-CD2 3.13Å; F33-L40 HydrophobicContact CE1-CG 3.84Å; F33-L40 HydrophobicContact CE2-CD1 4.45Å; F33-L40 HydrophobicContact CE2-CD2 4.18Å; F33-L40 HydrophobicContact CG-CD1 3.43Å; F33-L40 VanDerWaalsContact CG-CD1 3.43Å; F33-L40 HydrophobicContact CZ-CD1 4.14Å; F33-L40 HydrophobicContact CZ-CD2 3.39Å; F33-L40 HydrophobicContact CZ-CG 4.31Å; F33-L96 HydrophobicContact CD1-CB 3.77Å; F33-L96 HydrophobicContact CD1-CD2 4.4Å; F33-L96 HydrophobicContact CE1-CB 3.8Å; F33-L96 HydrophobicContact CE1-CD2 3.58Å; F33-L96 HydrophobicContact CE1-CG 4.33Å; F33-L96 HydrophobicContact CZ-CD2 4.32Å; F33-D276 HydrophobicContact CE2-CB 4.11Å; F33-D276 WeakPolarHBondContact CE2-OD1 3.41Å; F33-R337 VanDerWaalsContact CG-NH2 3.29Å; F33-R337 HydrophobicContact CZ-CB 4.23Å; F33-V338 HydrophobicContact CZ-CG2 4.38Å
34	D	57.4	Low	73.7	Confident	52 Å²	52	36.5 Å²	36.5	28%	0.278	21%	0.208	S	C	.	.	S	Bend	trans	-69.9	80	174.3	-156	11.1	0	0	0	110.1	Y29 D30	Y29-D34 HydrophobicContact CD2-CB 4.27Å; Y29-D34 HydrophobicContact CE2-CB 4.04Å; D30-D34 PolarHBondContact O-N 3.1Å; D30-D34 VanDerWaalsContact O-N 3.14Å
35	Q	60.1	Low	74	Confident	23 Å²	23	39.9 Å²	39.9	11%	0.107	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-73.1	152.5	-179.8	-63.5	-167.9	-0.4	0	0	110.6	F33 N37 Y38 Y249	F33-Q35 PolarHBondContact O-N 2.97Å; Q35-N37 PolarHBondContact O-N 3.26Å; Q35-Y38 PolarHBondContact O-N 2.94Å; Q35-Y249 PolarHBondContact NE2-O 3.5Å; Q35-Y249 PolarHBondContact OE1-O 3.23Å
36	A	53.9	Low	74	Confident	110 Å²	110	43.1 Å²	43.1	91%	0.909	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.8	171	0	0	0	0	0	114.7
37	N	60.7	Low	74.1	Confident	84 Å²	84	44.2 Å²	44.2	45%	0.449	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-29	-175.7	-69.9	-3.5	0	0	0	114.5	Q35	Q35-N37 PolarHBondContact O-N 3.26Å
38	Y	68.2	Low	74.2	Confident	44 Å²	44	46.4 Å²	46.4	17%	0.173	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-137.6	108.3	-178.1	-57.9	-79	0	0	0	110.4	Q35 L40 L251 P278 D281	Q35-Y38 PolarHBondContact O-N 2.94Å; Y38-L40 PolarHBondContact O-N 3.44Å; Y38-L251 HydrophobicContact CE2-CD1 3.86Å; Y38-L251 WeakPolarHBondContact OH-CD1 3.5Å; Y38-P278 HydrophobicContact CD1-CG 4.37Å; Y38-P278 HydrophobicContact CE1-CG 3.93Å; Y38-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y38-D281 WeakPolarHBondContact OH-CB 3.39Å; Y38-D281 VanDerWaalsContact OH-CG 3.3Å; Y38-D281 PolarHBondContact OH-OD2 3.38Å
39	N	73.9	Confident	74.3	Confident	64 Å²	64	50.5 Å²	50.5	34%	0.342	30%	0.295	S	S	.	.			trans	-73.3	109.3	172.7	-175.3	-3.5	0	0	0	109.2	T41 D42 L43	N39-T41 PolarHBondContact O-N 3.47Å; N39-T41 WeakPolarHBondContact OD1-CB 3.34Å; N39-T41 PolarHBondContact OD1-N 3.41Å; N39-T41 VanDerWaalsContact OD1-N 3.12Å; N39-T41 PolarHBondContact OD1-OG1 3.38Å; N39-D42 HydrophobicContact CB-CB 4.15Å; N39-D42 VanDerWaalsContact CB-OD2 3.3Å; N39-D42 WeakPolarHBondContact CB-OD2 3.24Å; N39-D42 PolarHBondContact ND2-OD1 2.95Å; N39-D42 PolarHBondContact ND2-OD2 2.96Å; N39-D42 PolarHBondContact O-N 2.95Å; N39-D42 VanDerWaalsContact O-N 3.12Å; N39-L43 PolarHBondContact O-N 2.94Å
40	L	74	Confident	74.2	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-35.2	-179.6	-72.8	156.8	0	0	0	112.5	Y29 F33 Y38 D42 L43 F44 V338	Y29-L40 HydrophobicContact CD2-CD1 4.08Å; Y29-L40 HydrophobicContact CG-CD1 4.48Å; F33-L40 HydrophobicContact CB-CD1 3.93Å; F33-L40 HydrophobicContact CD1-CD1 3.02Å; F33-L40 HydrophobicContact CD1-CD2 3.81Å; F33-L40 HydrophobicContact CD1-CG 3.98Å; F33-L40 HydrophobicContact CD2-CD1 4.11Å; F33-L40 HydrophobicContact CE1-CD1 3.39Å; F33-L40 HydrophobicContact CE1-CD2 3.13Å; F33-L40 HydrophobicContact CE1-CG 3.84Å; F33-L40 HydrophobicContact CE2-CD1 4.45Å; F33-L40 HydrophobicContact CE2-CD2 4.18Å; F33-L40 HydrophobicContact CG-CD1 3.43Å; F33-L40 VanDerWaalsContact CG-CD1 3.43Å; F33-L40 HydrophobicContact CZ-CD1 4.14Å; F33-L40 HydrophobicContact CZ-CD2 3.39Å; F33-L40 HydrophobicContact CZ-CG 4.31Å; Y38-L40 PolarHBondContact O-N 3.44Å; L40-D42 PolarHBondContact O-N 3.35Å; L40-L43 PolarHBondContact O-N 2.84Å; L40-F44 VanDerWaalsContact O-CD2 3.3Å; L40-F44 WeakPolarHBondContact O-CD2 3.47Å; L40-F44 PolarHBondContact O-N 2.76Å; L40-V338 HydrophobicContact CD2-CG2 3.8Å
41	T	78.4	Confident	74.5	Confident	35 Å²	35	51.3 Å²	51.3	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-46.3	176.6	-41.4	0	0	0	0	109.4	Y29 N39 F44 L45	Y29-T41 PolarHBondContact OH-OG1 3.2Å; N39-T41 PolarHBondContact O-N 3.47Å; N39-T41 WeakPolarHBondContact OD1-CB 3.34Å; N39-T41 PolarHBondContact OD1-N 3.41Å; N39-T41 VanDerWaalsContact OD1-N 3.12Å; N39-T41 PolarHBondContact OD1-OG1 3.38Å; T41-F44 PolarHBondContact O-N 3.49Å; T41-L45 HydrophobicContact CG2-CD1 3.96Å; T41-L45 HydrophobicContact CG2-CG 4.39Å; T41-L45 WeakPolarHBondContact O-CB 3.41Å; T41-L45 WeakPolarHBondContact O-CG 3.28Å; T41-L45 PolarHBondContact O-N 2.93Å
42	D	82	Confident	75.2	Confident	93 Å²	93	48.6 Å²	48.6	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-40.7	-179.6	-63.4	-20.4	0	0	0	111.7	N39 L40 L45 A46	N39-D42 HydrophobicContact CB-CB 4.15Å; N39-D42 VanDerWaalsContact CB-OD2 3.3Å; N39-D42 WeakPolarHBondContact CB-OD2 3.24Å; N39-D42 PolarHBondContact ND2-OD1 2.95Å; N39-D42 PolarHBondContact ND2-OD2 2.96Å; N39-D42 PolarHBondContact O-N 2.95Å; N39-D42 VanDerWaalsContact O-N 3.12Å; L40-D42 PolarHBondContact O-N 3.35Å; D42-L45 PolarHBondContact O-N 3.43Å; D42-A46 WeakPolarHBondContact O-CB 3.49Å; D42-A46 PolarHBondContact O-N 3.44Å
43	L	82.7	Confident	76.1	Confident	39 Å²	39	50.3 Å²	50.3	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-47.4	176.4	-71.4	174.5	0	0	0	112.1	N39 L40 A46 L47 P335	N39-L43 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 2.84Å; L43-A46 PolarHBondContact O-N 3.12Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.09Å; L43-P335 HydrophobicContact CD1-CG 4.11Å
44	F	83.3	Confident	77	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-34.6	177.2	-80.5	-72.1	0	0	0	112.5	V27 L40 T41 A46 L47 K48 F72 I74 L96 V338 S341 I345	V27-F44 HydrophobicContact CG1-CE1 4.44Å; V27-F44 HydrophobicContact CG1-CE2 4.11Å; V27-F44 HydrophobicContact CG1-CZ 3.95Å; L40-F44 VanDerWaalsContact O-CD2 3.3Å; L40-F44 WeakPolarHBondContact O-CD2 3.47Å; L40-F44 PolarHBondContact O-N 2.76Å; T41-F44 PolarHBondContact O-N 3.49Å; F44-A46 VanDerWaalsContact C-N 3.28Å; F44-A46 PolarHBondContact O-N 3.25Å; F44-L47 PolarHBondContact O-N 3.19Å; F44-K48 WeakPolarHBondContact O-CB 3.23Å; F44-K48 PolarHBondContact O-N 3.46Å; F44-F72 HydrophobicContact CB-CE2 4.38Å; F44-F72 HydrophobicContact CD1-CE2 4.32Å; F44-I74 HydrophobicContact CB-CD1 3.31Å; F44-I74 HydrophobicContact CB-CG1 3.71Å; F44-I74 HydrophobicContact CD2-CG2 4.37Å; F44-I74 HydrophobicContact CG-CD1 4.27Å; F44-I74 HydrophobicContact CG-CG1 4.14Å; F44-L96 HydrophobicContact CE2-CD2 4.2Å; F44-L96 HydrophobicContact CZ-CD2 3.94Å; F44-V338 HydrophobicContact CE1-CG1 4.16Å; F44-V338 HydrophobicContact CE2-CG2 4.29Å; F44-V338 HydrophobicContact CZ-CG1 4.14Å; F44-V338 HydrophobicContact CZ-CG2 4.37Å; F44-S341 WeakPolarHBondContact CE1-OG 3.44Å; F44-S341 WeakPolarHBondContact CZ-OG 3.36Å; F44-I345 HydrophobicContact CE1-CD1 4.44Å
45	L	83.8	Confident	78.1	Confident	85 Å²	85	51.3 Å²	51.3	45%	0.445	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-37.3	172.6	-76.3	172.1	0	0	0	111.3	T41 D42 K48 P49	T41-L45 HydrophobicContact CG2-CD1 3.96Å; T41-L45 HydrophobicContact CG2-CG 4.39Å; T41-L45 WeakPolarHBondContact O-CB 3.41Å; T41-L45 WeakPolarHBondContact O-CG 3.28Å; T41-L45 PolarHBondContact O-N 2.93Å; D42-L45 PolarHBondContact O-N 3.43Å; L45-K48 HydrophobicContact CD2-CD 4.47Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 PolarHBondContact O-N 3.26Å; L45-P49 WeakPolarHBondContact O-CD 3.29Å
46	A	84.1	Confident	79	Confident	73 Å²	73	51.5 Å²	51.5	60%	0.603	29%	0.292	S	S	*	.	H	α-helix	trans	-67.5	-38.5	174	0	0	0	0	0	112.4	D42 L43 F44 K48	D42-A46 WeakPolarHBondContact O-CB 3.49Å; D42-A46 PolarHBondContact O-N 3.44Å; L43-A46 PolarHBondContact O-N 3.12Å; F44-A46 VanDerWaalsContact C-N 3.28Å; F44-A46 PolarHBondContact O-N 3.25Å; A46-K48 VanDerWaalsContact C-N 3.3Å
47	L	84.6	Confident	80	Confident	22 Å²	22	49 Å²	49	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-19.3	176.2	-69.6	172.6	0	0	0	113.4	L43 F44 T50 L51 L334 V338	L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.09Å; F44-L47 PolarHBondContact O-N 3.19Å; L47-T50 PolarHBondContact O-N 3.04Å; L47-L51 HydrophobicContact CB-CD1 3.96Å; L47-L51 HydrophobicContact CB-CG 4.32Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.89Å; L47-L334 HydrophobicContact CD1-CD1 3.99Å; L47-L334 HydrophobicContact CD1-CD2 4.03Å; L47-L334 HydrophobicContact CD2-CD1 4.04Å; L47-L334 HydrophobicContact CD2-CD2 4.46Å; L47-L334 HydrophobicContact CG-CD2 4.46Å; L47-V338 HydrophobicContact CD1-CG1 3.75Å
48	K	86.3	Confident	80.4	Confident	47 Å²	47	46.2 Å²	46.2	20%	0.204	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-50	-170.2	-178.8	173.6	-171	169.7	0	114.8	F44 L45 A46 T50 L51 E52 F72	F44-K48 WeakPolarHBondContact O-CB 3.23Å; F44-K48 PolarHBondContact O-N 3.46Å; L45-K48 HydrophobicContact CD2-CD 4.47Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 PolarHBondContact O-N 3.26Å; A46-K48 VanDerWaalsContact C-N 3.3Å; K48-T50 VanDerWaalsContact C-N 3.27Å; K48-T50 PolarHBondContact O-N 2.91Å; K48-L51 PolarHBondContact O-N 3.36Å; K48-E52 WeakPolarHBondContact CE-OE1 3.25Å; K48-E52 HydrophobicContact CG-CG 4.2Å; K48-E52 WeakPolarHBondContact O-CB 3.31Å; K48-E52 WeakPolarHBondContact O-CG 2.95Å; K48-E52 PolarHBondContact O-N 3.3Å; K48-F72 HydrophobicContact CB-CE1 3.81Å; K48-F72 HydrophobicContact CB-CZ 3.55Å; K48-F72 HydrophobicContact CD-CZ 4.42Å; K48-F72 HydrophobicContact CG-CD1 4.39Å; K48-F72 HydrophobicContact CG-CE1 3.61Å; K48-F72 HydrophobicContact CG-CZ 3.75Å; K48-F72 PolarHBondContact NZ-O 3.5Å
49	P	85.1	Confident	80.3	Confident	86 Å²	86	44.3 Å²	44.3	56%	0.558	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-40.2	179.4	-22.1	33.9	0	0	0	112.2	L45 H53	L45-P49 WeakPolarHBondContact O-CD 3.29Å; P49-H53 WeakPolarHBondContact O-CB 3.48Å; P49-H53 PolarHBondContact O-N 2.87Å
50	T	83.8	Confident	79.8	Confident	46 Å²	46	49.1 Å²	49.1	28%	0.282	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-50.4	-179.2	-52.3	0	0	0	0	111	L47 K48 H53 Y54	L47-T50 PolarHBondContact O-N 3.04Å; K48-T50 VanDerWaalsContact C-N 3.27Å; K48-T50 PolarHBondContact O-N 2.91Å; T50-H53 PolarHBondContact O-N 3.38Å; T50-Y54 HydrophobicContact CG2-CD2 3.83Å; T50-Y54 HydrophobicContact CG2-CE2 3.85Å; T50-Y54 VanDerWaalsContact O-CD2 3.25Å; T50-Y54 WeakPolarHBondContact O-CD2 3.46Å; T50-Y54 PolarHBondContact O-N 3.15Å
51	L	85.1	Confident	79.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-43.2	-179.4	-65.9	175.6	0	0	0	111.9	L47 K48 A55 F72 A326 A342 I345 M346	L47-L51 HydrophobicContact CB-CD1 3.96Å; L47-L51 HydrophobicContact CB-CG 4.32Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.89Å; K48-L51 PolarHBondContact O-N 3.36Å; L51-A55 WeakPolarHBondContact O-CB 3.5Å; L51-A55 PolarHBondContact O-N 3.44Å; L51-F72 HydrophobicContact CB-CE1 4Å; L51-F72 HydrophobicContact CD1-CE1 4.18Å; L51-F72 HydrophobicContact CD1-CZ 4.14Å; L51-A326 HydrophobicContact CD2-CB 4.03Å; L51-A342 HydrophobicContact CD1-CB 4.1Å; L51-A342 HydrophobicContact CD2-CB 4.13Å; L51-I345 HydrophobicContact CD1-CD1 4.47Å; L51-M346 HydrophobicContact CD2-CG 3.7Å; L51-M346 HydrophobicContact CD2-SD 4.21Å
52	E	86.4	Confident	78.4	Confident	44 Å²	44	55.9 Å²	55.9	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-41.4	176.8	-70	-177.3	167.5	0	0	111.6	K48 D56 F70 K71 F72	K48-E52 WeakPolarHBondContact CE-OE1 3.25Å; K48-E52 HydrophobicContact CG-CG 4.2Å; K48-E52 WeakPolarHBondContact O-CB 3.31Å; K48-E52 WeakPolarHBondContact O-CG 2.95Å; K48-E52 PolarHBondContact O-N 3.3Å; E52-D56 WeakPolarHBondContact O-CB 3.41Å; E52-D56 PolarHBondContact O-N 3.48Å; E52-F70 HydrophobicContact CG-CD1 4.27Å; E52-K71 WeakPolarHBondContact OE1-CA 3.48Å; E52-F72 HydrophobicContact CG-CD1 3.96Å; E52-F72 HydrophobicContact CG-CE1 4.08Å; E52-F72 PolarHBondContact OE1-N 2.96Å
53	H	84.1	Confident	77.4	Confident	101 Å²	101	58.2 Å²	58.2	47%	0.468	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-49.2	177.7	-177.4	74.8	0	0	0	112.9	P49 T50 D56 I57	P49-H53 WeakPolarHBondContact O-CB 3.48Å; P49-H53 PolarHBondContact O-N 2.87Å; T50-H53 PolarHBondContact O-N 3.38Å; H53-D56 WeakPolarHBondContact O-CB 3.32Å; H53-D56 PolarHBondContact O-N 3.4Å; H53-I57 WeakPolarHBondContact O-CG1 3.44Å; H53-I57 PolarHBondContact O-N 3.17Å
54	Y	80.1	Confident	76.2	Confident	79 Å²	79	57.7 Å²	57.7	31%	0.31	31%	0.309	S	S	.	.	H	α-helix	trans	-74.1	-31.8	-179.2	-76.7	-69.9	0	0	0	113	T50 D56 I57 S58 S325	T50-Y54 HydrophobicContact CG2-CD2 3.83Å; T50-Y54 HydrophobicContact CG2-CE2 3.85Å; T50-Y54 VanDerWaalsContact O-CD2 3.25Å; T50-Y54 WeakPolarHBondContact O-CD2 3.46Å; T50-Y54 PolarHBondContact O-N 3.15Å; Y54-D56 VanDerWaalsContact C-N 3.34Å; Y54-I57 HydrophobicContact CD1-CD1 3.81Å; Y54-I57 HydrophobicContact CE1-CD1 4.17Å; Y54-I57 PolarHBondContact O-N 3.04Å; Y54-S58 PolarHBondContact O-N 2.67Å; Y54-S325 WeakPolarHBondContact CD2-O 3.24Å; Y54-S325 WeakPolarHBondContact CE2-O 3.4Å
55	A	80	Confident	75	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-42.9	169.7	0	0	0	0	0	110.9	L51 I57 S58 T59 F70 M346	L51-A55 WeakPolarHBondContact O-CB 3.5Å; L51-A55 PolarHBondContact O-N 3.44Å; A55-I57 PolarHBondContact O-N 3.24Å; A55-S58 WeakPolarHBondContact O-CB 3.46Å; A55-S58 PolarHBondContact O-N 2.98Å; A55-S58 VanDerWaalsContact O-N 3.16Å; A55-S58 PolarHBondContact O-OG 2.97Å; A55-T59 PolarHBondContact O-N 3.42Å; A55-F70 HydrophobicContact CB-CB 3.64Å; A55-F70 HydrophobicContact CB-CD1 3.33Å; A55-F70 HydrophobicContact CB-CD2 4.09Å; A55-F70 HydrophobicContact CB-CE1 3.95Å; A55-F70 HydrophobicContact CB-CG 3.39Å; A55-M346 HydrophobicContact CB-SD 4.06Å
56	D	78.5	Confident	74	Confident	27 Å²	27	64.8 Å²	64.8	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-36.6	174.9	-84.8	0.7	0	0	0	112.9	E52 H53 Y54 S58 T59 R60 K69 F70	E52-D56 WeakPolarHBondContact O-CB 3.41Å; E52-D56 PolarHBondContact O-N 3.48Å; H53-D56 WeakPolarHBondContact O-CB 3.32Å; H53-D56 PolarHBondContact O-N 3.4Å; Y54-D56 VanDerWaalsContact C-N 3.34Å; D56-S58 PolarHBondContact O-N 3.22Å; D56-T59 PolarHBondContact O-N 3.07Å; D56-T59 VanDerWaalsContact O-N 3.12Å; D56-T59 PolarHBondContact O-OG1 2.83Å; D56-R60 WeakPolarHBondContact O-CG 3.46Å; D56-R60 PolarHBondContact O-N 2.95Å; D56-K69 WeakPolarHBondContact OD1-CA 3.25Å; D56-F70 WeakPolarHBondContact OD1-CB 3.01Å; D56-F70 PolarHBondContact OD1-N 3.49Å
57	I	75.4	Confident	73	Confident	57 Å²	57	65 Å²	65	29%	0.292	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-40.1	174.8	-71.1	166.7	0	0	0	110.6	H53 Y54 A55 T59 R60 N61	H53-I57 WeakPolarHBondContact O-CG1 3.44Å; H53-I57 PolarHBondContact O-N 3.17Å; Y54-I57 HydrophobicContact CD1-CD1 3.81Å; Y54-I57 HydrophobicContact CE1-CD1 4.17Å; Y54-I57 PolarHBondContact O-N 3.04Å; A55-I57 PolarHBondContact O-N 3.24Å; I57-T59 PolarHBondContact O-N 2.81Å; I57-R60 PolarHBondContact O-N 3Å; I57-N61 PolarHBondContact O-N 3.02Å
58	S	67.8	Low	72.3	Confident	25 Å²	25	64.4 Å²	64.4	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-30.1	177.5	81.5	0	0	0	0	112.8	Y54 A55 D56	Y54-S58 PolarHBondContact O-N 2.67Å; A55-S58 WeakPolarHBondContact O-CB 3.46Å; A55-S58 PolarHBondContact O-N 2.98Å; A55-S58 VanDerWaalsContact O-N 3.16Å; A55-S58 PolarHBondContact O-OG 2.97Å; D56-S58 PolarHBondContact O-N 3.22Å
59	T	66.8	Low	71.9	Confident	4 Å²	4	67.6 Å²	67.6	3%	0.025	35%	0.353	C	S	.	.	H	α-helix	trans	-76.3	-36.7	175.2	76	0	0	0	0	111.8	A55 D56 I57 S62 Q68	A55-T59 PolarHBondContact O-N 3.42Å; D56-T59 PolarHBondContact O-N 3.07Å; D56-T59 VanDerWaalsContact O-N 3.12Å; D56-T59 PolarHBondContact O-OG1 2.83Å; I57-T59 PolarHBondContact O-N 2.81Å; T59-S62 PolarHBondContact O-N 2.8Å; T59-S62 PolarHBondContact O-OG 3.24Å; T59-Q68 HydrophobicContact CG2-CB 4.23Å; T59-Q68 PolarHBondContact OG1-O 3.08Å
60	R	64.3	Low	71.7	Confident	166 Å²	166	63.8 Å²	63.8	63%	0.626	33%	0.328	S	S	*	.	H	α-helix	trans	-67.5	-35.6	180	-69.7	179.4	-167.1	-173.6	5	113.9	D56 I57 S62	D56-R60 WeakPolarHBondContact O-CG 3.46Å; D56-R60 PolarHBondContact O-N 2.95Å; I57-R60 PolarHBondContact O-N 3Å; R60-S62 VanDerWaalsContact C-N 3.26Å; R60-S62 PolarHBondContact O-N 3.17Å
61	N	61.9	Low	71.8	Confident	143 Å²	143	65.9 Å²	65.9	77%	0.765	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-3	-179.4	-76.9	-7.2	0	0	0	114	I57	I57-N61 PolarHBondContact O-N 3.02Å
62	S	61.1	Low	71.8	Confident	36 Å²	36	65.9 Å²	65.9	25%	0.252	33%	0.333	S	S	.	.	S	Bend	trans	-87.6	155.8	-178.8	71.4	0	0	0	0	112.1	T59 R60 L64	T59-S62 PolarHBondContact O-N 2.8Å; T59-S62 PolarHBondContact O-OG 3.24Å; R60-S62 VanDerWaalsContact C-N 3.26Å; R60-S62 PolarHBondContact O-N 3.17Å; S62-L64 PolarHBondContact O-N 3.31Å; S62-L64 WeakPolarHBondContact OG-CB 3.48Å; S62-L64 WeakPolarHBondContact OG-CD1 3.17Å
63	T	59.4	Low	71.8	Confident	142 Å²	142	64.8 Å²	64.8	87%	0.871	33%	0.329	S	S	*	.			trans	-73.4	27.3	174.6	56.3	0	0	0	0	113.1
64	L	58.3	Low	72	Confident	29 Å²	29	61.2 Å²	61.2	15%	0.152	31%	0.313	C	S	.	.			trans	-77.3	137.4	-178.7	-88.8	147.7	0	0	0	110.5	S62 R66 T353 K356	S62-L64 PolarHBondContact O-N 3.31Å; S62-L64 WeakPolarHBondContact OG-CB 3.48Å; S62-L64 WeakPolarHBondContact OG-CD1 3.17Å; L64-R66 PolarHBondContact O-N 2.74Å; L64-R66 VanDerWaalsContact O-N 3.13Å; L64-T353 HydrophobicContact CD1-CG2 3.35Å; L64-T353 WeakPolarHBondContact CD1-O 3.39Å; L64-K356 HydrophobicContact CD2-CB 3.94Å; L64-K356 HydrophobicContact CD2-CG 3.79Å
65	P	57.9	Low	72.3	Confident	119 Å²	119	60.6 Å²	60.6	77%	0.773	31%	0.313	S	S	*	.	S	Bend	trans	-65.6	-13.8	179.7	22	-31.7	0	0	0	114.5
66	R	62.8	Low	72.6	Confident	115 Å²	115	63.4 Å²	63.4	43%	0.434	33%	0.326	S	S	.	.	S	Bend	trans	-142.4	135.7	178.9	-66.9	-174.7	-177.9	173.8	4	111.5	E17 L64	E17-R66 PolarHBondContact O-NH1 2.73Å; E17-R66 VanDerWaalsContact O-NH1 3.08Å; E17-R66 IonicContact OE2-CZ 3.4Å; E17-R66 IonicContact OE2-NH2 2.81Å; E17-R66 PolarHBondContact OE2-NH2 3.06Å; L64-R66 PolarHBondContact O-N 2.74Å; L64-R66 VanDerWaalsContact O-N 3.13Å
67	S	63.9	Low	73	Confident	78 Å²	78	64 Å²	64	55%	0.545	33%	0.327	S	S	.	.			trans	-65.9	134.8	171.2	67.5	0	0	0	0	110.5
68	Q	69.4	Low	73.5	Confident	9 Å²	9	67.1 Å²	67.1	4%	0.042	34%	0.338	C	S	.	.			trans	-111.6	142.7	179.9	-68.7	178.4	38.8	0	0	109.4	L23 T59	L23-Q68 HydrophobicContact CD1-CB 4.35Å; L23-Q68 HydrophobicContact CG-CB 4.48Å; T59-Q68 HydrophobicContact CG2-CB 4.23Å; T59-Q68 PolarHBondContact OG1-O 3.08Å
69	K	77.6	Confident	74.3	Confident	113 Å²	113	71.6 Å²	71.6	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.5	173	-71.5	-169.9	178.4	-172.3	0	108.8	R21 L22 L23 D56	R21-K69 PolarHBondContact O-N 2.95Å; L22-K69 CarbonylContact C-O 3.51Å; L22-K69 VanDerWaalsContact CA-O 3.28Å; L22-K69 WeakPolarHBondContact CA-O 3.27Å; L22-K69 HydrophobicContact CD2-CB 3.96Å; L23-K69 PolarHBondContact N-O 3.01Å; D56-K69 WeakPolarHBondContact OD1-CA 3.25Å
70	F	81.8	Confident	75.1	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.5	172.3	-174.8	-97.8	0	0	0	109.5	L23 Q25 E52 A55 D56 F72 I345 S349	L23-F70 HydrophobicContact CB-CD2 4.14Å; Q25-F70 HydrophobicContact CB-CZ 4.23Å; Q25-F70 VanDerWaalsContact CD-CE2 3.47Å; Q25-F70 VanDerWaalsContact CD-CZ 3.41Å; Q25-F70 HydrophobicContact CG-CE2 3.69Å; Q25-F70 HydrophobicContact CG-CZ 3.81Å; E52-F70 HydrophobicContact CG-CD1 4.27Å; A55-F70 HydrophobicContact CB-CB 3.64Å; A55-F70 HydrophobicContact CB-CD1 3.33Å; A55-F70 HydrophobicContact CB-CD2 4.09Å; A55-F70 HydrophobicContact CB-CE1 3.95Å; A55-F70 HydrophobicContact CB-CG 3.39Å; D56-F70 WeakPolarHBondContact OD1-CB 3.01Å; D56-F70 PolarHBondContact OD1-N 3.49Å; F70-F72 HydrophobicContact CE1-CB 4.31Å; F70-F72 HydrophobicContact CE1-CD1 4.17Å; F70-I345 HydrophobicContact CE1-CG2 3.75Å; F70-I345 HydrophobicContact CZ-CG2 3.66Å; F70-S349 VanDerWaalsContact CE2-CB 3.42Å
71	K	85.8	Confident	76	Confident	91 Å²	91	70.4 Å²	70.4	40%	0.396	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.1	173.5	-172.3	175.3	-178.8	-176.7	0	108.4	L22 L23 V24 Q25 E52	L22-K71 HydrophobicContact CD2-CB 4.07Å; L22-K71 HydrophobicContact CD2-CD 4.45Å; L23-K71 PolarHBondContact O-N 3.41Å; L23-K71 VanDerWaalsContact O-O 3.08Å; V24-K71 VanDerWaalsContact CA-O 3.25Å; V24-K71 WeakPolarHBondContact CA-O 3.32Å; Q25-K71 PolarHBondContact N-O 2.94Å; Q25-K71 VanDerWaalsContact N-O 3.09Å; E52-K71 WeakPolarHBondContact OE1-CA 3.48Å
72	F	85.4	Confident	77.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.3	165.3	73.4	-83.7	0	0	0	111.8	Q25 V27 F44 K48 L51 E52 F70 I74 I345	Q25-F72 HydrophobicContact CB-CB 4.33Å; Q25-F72 CarbonylContact O-C 3.5Å; Q25-F72 WeakPolarHBondContact O-CA 3.36Å; Q25-F72 WeakPolarHBondContact O-CB 3.45Å; V27-F72 HydrophobicContact CG2-CD2 4.35Å; F44-F72 HydrophobicContact CB-CE2 4.38Å; F44-F72 HydrophobicContact CD1-CE2 4.32Å; K48-F72 HydrophobicContact CB-CE1 3.81Å; K48-F72 HydrophobicContact CB-CZ 3.55Å; K48-F72 HydrophobicContact CD-CZ 4.42Å; K48-F72 HydrophobicContact CG-CD1 4.39Å; K48-F72 HydrophobicContact CG-CE1 3.61Å; K48-F72 HydrophobicContact CG-CZ 3.75Å; K48-F72 PolarHBondContact NZ-O 3.5Å; L51-F72 HydrophobicContact CB-CE1 4Å; L51-F72 HydrophobicContact CD1-CE1 4.18Å; L51-F72 HydrophobicContact CD1-CZ 4.14Å; E52-F72 HydrophobicContact CG-CD1 3.96Å; E52-F72 HydrophobicContact CG-CE1 4.08Å; E52-F72 PolarHBondContact OE1-N 2.96Å; F70-F72 HydrophobicContact CE1-CB 4.31Å; F70-F72 HydrophobicContact CE1-CD1 4.17Å; F72-I74 HydrophobicContact CD2-CD1 4.35Å; F72-I74 HydrophobicContact CD2-CG1 3.98Å; F72-I74 HydrophobicContact CE2-CD1 3.74Å; F72-I74 HydrophobicContact CE2-CG1 3.74Å; F72-I345 HydrophobicContact CD2-CD1 4.47Å
73	T	86.1	Confident	78.2	Confident	21 Å²	21	64.1 Å²	64.1	13%	0.129	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.7	-179.3	53.4	0	0	0	0	108.7	V24 Q25 G26 V27	V24-T73 HydrophobicContact CG1-CG2 4.08Å; Q25-T73 PolarHBondContact O-N 3.46Å; Q25-T73 PolarHBondContact O-OG1 3.34Å; G26-T73 CarbonylContact C-O 3.56Å; G26-T73 WeakPolarHBondContact CA-O 3.39Å; V27-T73 PolarHBondContact N-O 2.91Å
74	I	87	Confident	79.4	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.128	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.2	176.5	-50.9	129.9	0	0	0	106	V27 Y29 F44 F72	V27-I74 HydrophobicContact CB-CG1 4.43Å; V27-I74 HydrophobicContact CB-CG2 4.49Å; V27-I74 WeakPolarHBondContact O-CA 3.36Å; Y29-I74 HydrophobicContact CD1-CG2 3.76Å; Y29-I74 HydrophobicContact CE1-CG2 3.79Å; F44-I74 HydrophobicContact CB-CD1 3.31Å; F44-I74 HydrophobicContact CB-CG1 3.71Å; F44-I74 HydrophobicContact CD2-CG2 4.37Å; F44-I74 HydrophobicContact CG-CD1 4.27Å; F44-I74 HydrophobicContact CG-CG1 4.14Å; F72-I74 HydrophobicContact CD2-CD1 4.35Å; F72-I74 HydrophobicContact CD2-CG1 3.98Å; F72-I74 HydrophobicContact CE2-CD1 3.74Å; F72-I74 HydrophobicContact CE2-CG1 3.74Å
75	E	87.2	Confident	80.7	Confident	67 Å²	67	58 Å²	58	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.4	-175.8	-68	-69.4	159.2	0	0	110.1	V27 V28 Y29 Q81 L85	V27-E75 PolarHBondContact O-N 2.91Å; V28-E75 WeakPolarHBondContact CA-O 3.27Å; Y29-E75 VanDerWaalsContact CD1-O 3.29Å; Y29-E75 WeakPolarHBondContact CD1-O 3.28Å; Y29-E75 PolarHBondContact N-O 2.9Å; E75-Q81 HydrophobicContact CB-CG 4.12Å; E75-Q81 PolarHBondContact OE2-NE2 2.95Å; E75-L85 HydrophobicContact CB-CD2 4.31Å; E75-L85 HydrophobicContact CG-CD2 3.7Å
76	K	86.4	Confident	81.8	Confident	59 Å²	59	52.5 Å²	52.5	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.2	172.8	-173.2	178	176.8	177.9	0	110	Y29 D31 F78 Q81	Y29-K76 HydrophobicContact CE1-CB 4.14Å; Y29-K76 HydrophobicContact CE2-CB 4.37Å; Y29-K76 HydrophobicContact CE2-CG 4.33Å; Y29-K76 CarbonylContact O-C 3.55Å; Y29-K76 WeakPolarHBondContact O-CA 3.47Å; D31-K76 WeakPolarHBondContact OD1-CE 3.39Å; D31-K76 IonicContact OD1-NZ 2.71Å; D31-K76 PolarHBondContact OD1-NZ 2.87Å; D31-K76 WeakPolarHBondContact OD2-CE 3.31Å; D31-K76 IonicContact OD2-NZ 4Å; D31-K76 PolarHBondContact OD2-NZ 3.32Å; D31-K76 VanDerWaalsContact OD2-NZ 3.09Å; K76-F78 HydrophobicContact CB-CE2 4.07Å; K76-F78 HydrophobicContact CD-CE2 4.3Å; K76-F78 HydrophobicContact CD-CZ 4.28Å; K76-F78 HydrophobicContact CG-CE2 4.28Å; K76-F78 WeakPolarHBondContact O-CD2 3.3Å; K76-F78 PolarHBondContact O-N 3.42Å; K76-Q81 WeakPolarHBondContact O-CG 3.43Å
77	F	86.7	Confident	82.6	Confident	40 Å²	40	49.5 Å²	49.5	18%	0.175	26%	0.257	C	S	.	.			trans	-63.2	127.2	177.8	176	-101.5	0	0	0	111.2	V28 Y29 D30 T101 Y104 L105	V28-F77 HydrophobicContact CG1-CB 3.79Å; V28-F77 HydrophobicContact CG1-CD2 3.98Å; V28-F77 HydrophobicContact CG1-CG 4.39Å; Y29-F77 WeakPolarHBondContact O-CB 3.28Å; Y29-F77 PolarHBondContact O-N 3.4Å; D30-F77 HydrophobicContact CB-CB 4.19Å; F77-T101 HydrophobicContact CB-CG2 4.38Å; F77-T101 HydrophobicContact CD1-CG2 3.63Å; F77-T101 HydrophobicContact CD2-CG2 3.57Å; F77-T101 HydrophobicContact CE1-CG2 3.7Å; F77-T101 HydrophobicContact CE2-CG2 3.66Å; F77-T101 HydrophobicContact CG-CG2 3.56Å; F77-T101 HydrophobicContact CZ-CG2 3.72Å; F77-Y104 AromaticContact CE2-CD1 3.78Å; F77-Y104 HydrophobicContact CE2-CD1 3.78Å; F77-Y104 HydrophobicContact CE2-CE1 4.05Å; F77-Y104 AromaticContact CZ-CD1 3.65Å; F77-Y104 HydrophobicContact CZ-CD1 3.65Å; F77-Y104 AromaticContact CZ-CE1 3.95Å; F77-Y104 HydrophobicContact CZ-CE1 3.95Å; F77-L105 HydrophobicContact CD2-CD1 4.14Å; F77-L105 HydrophobicContact CD2-CD2 4.07Å; F77-L105 HydrophobicContact CD2-CG 4.21Å; F77-L105 HydrophobicContact CE2-CD1 4.35Å; F77-L105 HydrophobicContact CE2-CD2 3.81Å; F77-L105 HydrophobicContact CE2-CG 3.94Å
78	F	86.3	Confident	83.5	Confident	121 Å²	121	50.8 Å²	50.8	53%	0.531	25%	0.254	S	S	.	.			trans	-138	155.4	165.6	-69.1	-80.3	0	0	0	108.2	K76 N80 Q81	K76-F78 HydrophobicContact CB-CE2 4.07Å; K76-F78 HydrophobicContact CD-CE2 4.3Å; K76-F78 HydrophobicContact CD-CZ 4.28Å; K76-F78 HydrophobicContact CG-CE2 4.28Å; K76-F78 WeakPolarHBondContact O-CD2 3.3Å; K76-F78 PolarHBondContact O-N 3.42Å; F78-N80 PolarHBondContact O-N 2.81Å; F78-Q81 HydrophobicContact CB-CB 4.17Å; F78-Q81 WeakPolarHBondContact O-CB 3.4Å; F78-Q81 PolarHBondContact O-N 3.35Å
79	I	83.4	Confident	84	Confident	120 Å²	120	50.4 Å²	50.4	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-35	-175.4	-68.4	168.4	0	0	0	112.5	Y104	I79-Y104 WeakPolarHBondContact CG2-OH 3.33Å; I79-Y104 PolarHBondContact O-OH 3.49Å
80	N	83.7	Confident	84.3	Confident	127 Å²	127	45 Å²	45	68%	0.679	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	10.9	178.1	-68.2	-16.6	0	0	0	114.2	F78 L82 C83 S84	F78-N80 PolarHBondContact O-N 2.81Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.09Å; N80-C83 WeakPolarHBondContact O-CB 3.45Å; N80-C83 PolarHBondContact O-N 2.98Å; N80-C83 VanDerWaalsContact O-N 3.12Å; N80-S84 PolarHBondContact O-N 3.45Å
81	Q	84.9	Confident	84.4	Confident	17 Å²	17	45 Å²	45	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-36.8	-172.1	-171.4	60.1	26.3	0	0	112.8	E75 K76 F78 C83 S84 L85	E75-Q81 HydrophobicContact CB-CG 4.12Å; E75-Q81 PolarHBondContact OE2-NE2 2.95Å; K76-Q81 WeakPolarHBondContact O-CG 3.43Å; F78-Q81 HydrophobicContact CB-CB 4.17Å; F78-Q81 WeakPolarHBondContact O-CB 3.4Å; F78-Q81 PolarHBondContact O-N 3.35Å; Q81-C83 PolarHBondContact O-N 3.17Å; Q81-S84 WeakPolarHBondContact O-CB 3.44Å; Q81-S84 PolarHBondContact O-N 3.04Å; Q81-S84 VanDerWaalsContact O-N 3.08Å; Q81-L85 HydrophobicContact CG-CD1 4.49Å; Q81-L85 PolarHBondContact O-N 3.33Å
82	L	84.2	Confident	84.5	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-37.1	177.6	-164.1	69.1	0	0	0	111.1	N80 L85 I86 V93 E108 A109 Y112 L114	N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 3.35Å; L82-I86 HydrophobicContact CG-CD1 4.27Å; L82-I86 VanDerWaalsContact O-CG1 3.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å; L82-I86 PolarHBondContact O-N 3.36Å; L82-V93 HydrophobicContact CD1-CB 4.34Å; L82-V93 HydrophobicContact CD1-CG1 4.12Å; L82-V93 HydrophobicContact CD1-CG2 3.74Å; L82-E108 HydrophobicContact CD2-CB 3.59Å; L82-A109 HydrophobicContact CD2-CB 4.33Å; L82-Y112 HydrophobicContact CD2-CD2 3.81Å; L82-Y112 HydrophobicContact CD2-CE2 4.2Å; L82-L114 HydrophobicContact CD1-CD2 3.82Å; L82-L114 HydrophobicContact CG-CD2 4.23Å
83	C	84.4	Confident	84.8	Confident	42 Å²	42	40.7 Å²	40.7	28%	0.284	21%	0.211	S	C	.	.	H	α-helix	trans	-68.5	-39.7	177.1	-175.6	0	0	0	0	112.6	N80 Q81 L85 I86 S87 C370	N80-C83 WeakPolarHBondContact O-CB 3.45Å; N80-C83 PolarHBondContact O-N 2.98Å; N80-C83 VanDerWaalsContact O-N 3.12Å; Q81-C83 PolarHBondContact O-N 3.17Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.01Å; C83-I86 PolarHBondContact O-N 2.79Å; C83-S87 PolarHBondContact O-N 3.42Å; C83-C370 WeakPolarHBondContact CA-SG 3.41Å; C83-C370 HydrophobicContact CB-CB 4.12Å; C83-C370 WeakPolarHBondContact CB-SG 3.41Å; C83-C370 PolarHBondContact O-SG 3.1Å; C83-C370 VanDerWaalsContact O-SG 3.4Å; C83-C370 WeakPolarHBondContact SG-CB 3.33Å; C83-C370 CovalentContact SG-SG 2.03Å; C83-C370 PolarHBondContact SG-SG 3.15Å
84	S	84.6	Confident	85.1	Confident	41 Å²	41	39.7 Å²	39.7	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-58.2	-46.5	170.7	-178.5	0	0	0	0	111.2	N80 Q81 I86 S87 H88	N80-S84 PolarHBondContact O-N 3.45Å; Q81-S84 WeakPolarHBondContact O-CB 3.44Å; Q81-S84 PolarHBondContact O-N 3.04Å; Q81-S84 VanDerWaalsContact O-N 3.08Å; S84-I86 PolarHBondContact O-N 3.49Å; S84-S87 WeakPolarHBondContact O-CB 3.45Å; S84-S87 PolarHBondContact O-N 3.32Å; S84-S87 PolarHBondContact O-OG 2.99Å; S84-H88 PolarHBondContact O-N 2.98Å; S84-H88 PolarHBondContact O-ND1 3.38Å
85	L	84.9	Confident	85.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-41	177.9	-71.7	174.9	0	0	0	112.6	V28 E75 Q81 L82 C83 S87 H88 G89 V90 V93	V28-L85 HydrophobicContact CG2-CD1 3.36Å; E75-L85 HydrophobicContact CB-CD2 4.31Å; E75-L85 HydrophobicContact CG-CD2 3.7Å; Q81-L85 HydrophobicContact CG-CD1 4.49Å; Q81-L85 PolarHBondContact O-N 3.33Å; L82-L85 PolarHBondContact O-N 3.35Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.01Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.88Å; L85-H88 WeakPolarHBondContact O-CB 3.33Å; L85-H88 PolarHBondContact O-N 3.48Å; L85-H88 VanDerWaalsContact O-N 3.15Å; L85-G89 PolarHBondContact O-N 3.34Å; L85-V90 HydrophobicContact CB-CB 4.13Å; L85-V90 HydrophobicContact CB-CG2 3.91Å; L85-V90 HydrophobicContact CD2-CG2 4.05Å; L85-V90 VanDerWaalsContact O-CB 3.29Å; L85-V90 WeakPolarHBondContact O-CB 3.37Å; L85-V90 WeakPolarHBondContact O-CG2 3.35Å; L85-V90 PolarHBondContact O-N 3.04Å; L85-V90 VanDerWaalsContact O-N 3.14Å; L85-V93 HydrophobicContact CD1-CG2 4.47Å
86	I	82.3	Confident	85.4	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-41.1	175.4	-69.3	163.4	0	0	0	110.8	L82 C83 S84 H88 G89 Y112 L114 I373	L82-I86 HydrophobicContact CG-CD1 4.27Å; L82-I86 VanDerWaalsContact O-CG1 3.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å; L82-I86 PolarHBondContact O-N 3.36Å; C83-I86 PolarHBondContact O-N 2.79Å; S84-I86 PolarHBondContact O-N 3.49Å; I86-H88 PolarHBondContact O-N 2.88Å; I86-G89 PolarHBondContact O-N 2.95Å; I86-Y112 HydrophobicContact CD1-CD1 4.23Å; I86-Y112 HydrophobicContact CD1-CD2 3.6Å; I86-Y112 HydrophobicContact CD1-CE2 4.2Å; I86-Y112 HydrophobicContact CD1-CG 3.63Å; I86-L114 HydrophobicContact CD1-CD2 4.3Å; I86-L114 HydrophobicContact CG1-CD2 4.02Å; I86-I373 HydrophobicContact CD1-CD1 4.47Å; I86-I373 HydrophobicContact CG2-CD1 4.2Å
87	S	79.7	Confident	85.4	Confident	51 Å²	51	32.5 Å²	32.5	36%	0.357	17%	0.171	S	C	.	.	H	α-helix	trans	-61.8	-31.3	177	79.8	0	0	0	0	112.9	C83 S84 L85 G89 G367	C83-S87 PolarHBondContact O-N 3.42Å; S84-S87 WeakPolarHBondContact O-CB 3.45Å; S84-S87 PolarHBondContact O-N 3.32Å; S84-S87 PolarHBondContact O-OG 2.99Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 2.88Å; S87-G89 PolarHBondContact O-N 3.07Å; S87-G367 PolarHBondContact O-N 3.28Å
88	H	82.2	Confident	85.3	Confident	105 Å²	105	31.7 Å²	31.7	49%	0.486	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.2	173.5	-69.7	92	0	0	0	113.9	S84 L85 I86	S84-H88 PolarHBondContact O-N 2.98Å; S84-H88 PolarHBondContact O-ND1 3.38Å; L85-H88 WeakPolarHBondContact O-CB 3.33Å; L85-H88 PolarHBondContact O-N 3.48Å; L85-H88 VanDerWaalsContact O-N 3.15Å; I86-H88 PolarHBondContact O-N 2.88Å
89	G	79	Confident	85.3	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	35.2	179.1	0	0	0	0	0	113.7	V24 L85 I86 S87 H91 R365	V24-G89 WeakPolarHBondContact CB-O 3.3Å; L85-G89 PolarHBondContact O-N 3.34Å; I86-G89 PolarHBondContact O-N 2.95Å; S87-G89 PolarHBondContact O-N 3.07Å; G89-H91 PolarHBondContact O-CE1 3Å; G89-H91 PolarHBondContact O-ND1 3.22Å; G89-R365 WeakPolarHBondContact CA-O 3.45Å
90	V	84.2	Confident	85.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133	177.5	171	0	0	0	0	111.7	V24 G26 L85 L92 V93	V24-V90 HydrophobicContact CB-CG2 4.36Å; V24-V90 HydrophobicContact CG1-CG2 3.84Å; V24-V90 WeakPolarHBondContact O-CA 3.14Å; G26-V90 VanDerWaalsContact N-CG1 3.34Å; L85-V90 HydrophobicContact CB-CB 4.13Å; L85-V90 HydrophobicContact CB-CG2 3.91Å; L85-V90 HydrophobicContact CD2-CG2 4.05Å; L85-V90 VanDerWaalsContact O-CB 3.29Å; L85-V90 WeakPolarHBondContact O-CB 3.37Å; L85-V90 WeakPolarHBondContact O-CG2 3.35Å; L85-V90 PolarHBondContact O-N 3.04Å; L85-V90 VanDerWaalsContact O-N 3.14Å; V90-L92 WeakPolarHBondContact CG1-O 3.37Å; V90-V93 HydrophobicContact CG1-CG2 3.69Å
91	H	83.3	Confident	85.6	Confident	5 Å²	5	20.4 Å²	20.4	2%	0.023	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-18.7	-177.1	-54.6	91.6	0	0	0	114.2	V24 G89 Y362 L363	V24-H91 PolarHBondContact O-N 2.65Å; V24-H91 PolarHBondContact O-ND1 3.49Å; G89-H91 PolarHBondContact O-CE1 3Å; G89-H91 PolarHBondContact O-ND1 3.22Å; H91-Y362 HydrophobicContact CB-CE1 4.27Å; H91-Y362 PolarHBondContact CD2-O 3.49Å; H91-Y362 PolarHBondContact O-OH 3.01Å; H91-L363 HydrophobicContact CB-CD2 3.97Å; H91-L363 WeakPolarHBondContact NE2-CA 3.42Å; H91-L363 PolarHBondContact NE2-O 3.13Å
92	L	88.7	Confident	85.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.4	177.9	172.3	66	0	0	0	108.1	Q25 G26 V90 L94 P115 V117 F385 L389	Q25-L92 HydrophobicContact CG-CB 4.11Å; G26-L92 PolarHBondContact N-O 2.99Å; V90-L92 WeakPolarHBondContact CG1-O 3.37Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.08Å; L92-P115 HydrophobicContact CD1-CB 3.89Å; L92-V117 HydrophobicContact CD1-CG2 3.96Å; L92-F385 HydrophobicContact CB-CE1 4.17Å; L92-F385 HydrophobicContact CB-CZ 4.21Å; L92-F385 HydrophobicContact CD1-CE1 4.14Å; L92-F385 HydrophobicContact CD2-CE1 4.28Å; L92-F385 HydrophobicContact CD2-CZ 4.46Å; L92-F385 HydrophobicContact CG-CE1 4.44Å; L92-L389 HydrophobicContact CD1-CD2 3.74Å
93	V	91.1	Very high	86	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.4	176.1	177.8	0	0	0	0	109.8	G26 V28 L82 L85 V90 L114 P115 H116 V117	G26-V93 CarbonylContact O-C 3.56Å; G26-V93 VanDerWaalsContact O-CA 3.29Å; G26-V93 WeakPolarHBondContact O-CA 3.42Å; V28-V93 HydrophobicContact CG2-CG1 3.93Å; L82-V93 HydrophobicContact CD1-CB 4.34Å; L82-V93 HydrophobicContact CD1-CG1 4.12Å; L82-V93 HydrophobicContact CD1-CG2 3.74Å; L85-V93 HydrophobicContact CD1-CG2 4.47Å; V90-V93 HydrophobicContact CG1-CG2 3.69Å; V93-L114 HydrophobicContact CG2-CD2 3.51Å; V93-L114 HydrophobicContact CG2-CG 4.07Å; V93-P115 PolarHBondContact N-O 2.94Å; V93-H116 CarbonylContact O-C 3.54Å; V93-H116 VanDerWaalsContact O-CA 3.31Å; V93-H116 WeakPolarHBondContact O-CA 3.41Å; V93-V117 PolarHBondContact O-N 3.47Å
94	L	92.2	Very high	86.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.2	171.6	-59.4	94.3	0	0	0	108.4	G26 V27 V28 L92 L96 V117 S341 M344 I345	G26-L94 PolarHBondContact O-N 3.43Å; V27-L94 CarbonylContact C-O 3.48Å; V27-L94 WeakPolarHBondContact CA-O 3.42Å; V27-L94 HydrophobicContact CG2-CD1 4.44Å; V28-L94 PolarHBondContact N-O 2.91Å; L92-L94 HydrophobicContact CD2-CD1 4.1Å; L92-L94 HydrophobicContact CG-CD1 4.08Å; L94-L96 HydrophobicContact CB-CD1 4.49Å; L94-V117 CarbonylContact C-O 3.5Å; L94-V117 WeakPolarHBondContact CA-O 3.44Å; L94-V117 HydrophobicContact CG-CB 4.27Å; L94-S341 WeakPolarHBondContact CD2-O 3.48Å; L94-M344 HydrophobicContact CD2-CB 3.44Å; L94-M344 VanDerWaalsContact CD2-CB 3.44Å; L94-I345 HydrophobicContact CD1-CG1 3.77Å; L94-I345 HydrophobicContact CD2-CG1 4.03Å
95	S	91.2	Very high	86.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.1	177.2	78.5	0	0	0	0	111.4	V28 L105 H116 V117 A118 I119	V28-S95 CarbonylContact O-C 3.55Å; V28-S95 VanDerWaalsContact O-CA 3.29Å; V28-S95 WeakPolarHBondContact O-CA 3.3Å; S95-L105 VanDerWaalsContact CB-CD1 3.49Å; S95-H116 WeakPolarHBondContact CB-NE2 3.41Å; S95-H116 PolarHBondContact OG-NE2 3.36Å; S95-V117 PolarHBondContact N-O 3.48Å; S95-A118 WeakPolarHBondContact OG-CA 3.4Å; S95-I119 CarbonylContact O-C 3.52Å; S95-I119 PolarHBondContact O-N 2.73Å
96	L	89.6	Confident	86.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	78.6	170.8	-68.1	74.1	0	0	0	107.6	V27 V28 Y29 F33 F44 L94 I119 R337	V27-L96 HydrophobicContact CG1-CD1 3.78Å; V28-L96 PolarHBondContact O-N 3.34Å; Y29-L96 WeakPolarHBondContact CA-O 3.37Å; F33-L96 HydrophobicContact CD1-CB 3.77Å; F33-L96 HydrophobicContact CD1-CD2 4.4Å; F33-L96 HydrophobicContact CE1-CB 3.8Å; F33-L96 HydrophobicContact CE1-CD2 3.58Å; F33-L96 HydrophobicContact CE1-CG 4.33Å; F33-L96 HydrophobicContact CZ-CD2 4.32Å; F44-L96 HydrophobicContact CE2-CD2 4.2Å; F44-L96 HydrophobicContact CZ-CD2 3.94Å; L94-L96 HydrophobicContact CB-CD1 4.49Å; L96-I119 HydrophobicContact CD1-CD1 4.28Å; L96-I119 HydrophobicContact CG-CB 4.46Å; L96-I119 HydrophobicContact CG-CD1 4.47Å; L96-R337 HydrophobicContact CD2-CB 4Å
97	T	87.3	Confident	86.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.154	C	C	.	.	S	Bend	trans	-136.6	177.6	-167.7	63.6	0	0	0	0	112.5	D30 T101 A102 L105 P120	D30-T97 HydrophobicContact CB-CG2 3.92Å; D30-T97 WeakPolarHBondContact OD2-CA 3.31Å; D30-T97 WeakPolarHBondContact OD2-CB 3.3Å; T97-T101 HydrophobicContact CG2-CG2 3.79Å; T97-A102 PolarHBondContact OG1-N 3.42Å; T97-L105 HydrophobicContact CG2-CD1 4.41Å; T97-P120 VanDerWaalsContact O-CA 3.23Å; T97-P120 WeakPolarHBondContact O-CA 3.4Å
98	A	85	Confident	87.1	Confident	22 Å²	22	26.1 Å²	26.1	18%	0.182	15%	0.145	C	C	.	.			trans	-68.2	160.4	167.3	0	0	0	0	0	111.7	D30 S100 T101 A102	D30-A98 WeakPolarHBondContact OD2-CB 3.47Å; D30-A98 PolarHBondContact OD2-N 3.02Å; A98-S100 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-N 3.37Å; A98-T101 VanDerWaalsContact O-N 3.13Å; A98-A102 PolarHBondContact O-N 3.31Å
99	C	84.8	Confident	87.3	Confident	31 Å²	31	21.1 Å²	21.1	21%	0.209	12%	0.122	C	C	.	.	H	α-helix	trans	-52.9	-51.1	-177.9	-54.5	0	0	0	0	112.7	T101 A102 E103 C124	C99-T101 VanDerWaalsContact C-N 3.28Å; C99-T101 PolarHBondContact O-N 3.14Å; C99-A102 PolarHBondContact O-N 3.39Å; C99-E103 VanDerWaalsContact O-CG 3.29Å; C99-E103 WeakPolarHBondContact O-CG 3.15Å; C99-E103 PolarHBondContact O-N 2.7Å; C99-C124 WeakPolarHBondContact CA-SG 3.32Å; C99-C124 HydrophobicContact CB-CB 3.79Å; C99-C124 WeakPolarHBondContact CB-SG 3.5Å; C99-C124 WeakPolarHBondContact SG-CA 3.42Å; C99-C124 WeakPolarHBondContact SG-CB 3.43Å; C99-C124 PolarHBondContact SG-N 3.18Å; C99-C124 CovalentContact SG-SG 2.02Å; C99-C124 PolarHBondContact SG-SG 3.2Å
100	S	85.8	Confident	87.5	Confident	81 Å²	81	25.1 Å²	25.1	57%	0.566	14%	0.137	S	C	*	.	H	α-helix	trans	-60.3	-37.1	-179.5	54.3	0	0	0	0	113.1	A98 Y104	A98-S100 PolarHBondContact O-N 3.42Å; S100-Y104 PolarHBondContact O-N 2.89Å
101	T	88.9	Confident	87.4	Confident	19 Å²	19	33 Å²	33	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-42.7	178.1	-52.7	0	0	0	0	110.7	F77 T97 A98 C99 E103 Y104 L105	F77-T101 HydrophobicContact CB-CG2 4.38Å; F77-T101 HydrophobicContact CD1-CG2 3.63Å; F77-T101 HydrophobicContact CD2-CG2 3.57Å; F77-T101 HydrophobicContact CE1-CG2 3.7Å; F77-T101 HydrophobicContact CE2-CG2 3.66Å; F77-T101 HydrophobicContact CG-CG2 3.56Å; F77-T101 HydrophobicContact CZ-CG2 3.72Å; T97-T101 HydrophobicContact CG2-CG2 3.79Å; A98-T101 PolarHBondContact O-N 3.37Å; A98-T101 VanDerWaalsContact O-N 3.13Å; C99-T101 VanDerWaalsContact C-N 3.28Å; C99-T101 PolarHBondContact O-N 3.14Å; T101-E103 VanDerWaalsContact C-N 3.31Å; T101-E103 PolarHBondContact O-N 2.87Å; T101-Y104 PolarHBondContact O-N 3.26Å; T101-L105 HydrophobicContact CG2-CD1 4.34Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3.26Å
102	A	88.8	Confident	87.3	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-37.9	175.3	0	0	0	0	0	111.9	T97 A98 C99 L105 E106 A118 P120 W139	T97-A102 PolarHBondContact OG1-N 3.42Å; A98-A102 PolarHBondContact O-N 3.31Å; C99-A102 PolarHBondContact O-N 3.39Å; A102-L105 PolarHBondContact O-N 2.92Å; A102-E106 WeakPolarHBondContact O-CB 3.4Å; A102-E106 PolarHBondContact O-N 3.39Å; A102-A118 HydrophobicContact CB-CB 4.2Å; A102-P120 HydrophobicContact CB-CB 4.34Å; A102-W139 HydrophobicContact CB-CH2 3.68Å; A102-W139 HydrophobicContact CB-CZ3 3.83Å
103	E	88.1	Confident	86.9	Confident	74 Å²	74	35.5 Å²	35.5	35%	0.346	18%	0.177	S	C	.	.	H	α-helix	trans	-66.8	-41.5	175	-70.3	-177.6	166.9	0	0	112.7	C99 T101 E106 S107 K127 W139	C99-E103 VanDerWaalsContact O-CG 3.29Å; C99-E103 WeakPolarHBondContact O-CG 3.15Å; C99-E103 PolarHBondContact O-N 2.7Å; T101-E103 VanDerWaalsContact C-N 3.31Å; T101-E103 PolarHBondContact O-N 2.87Å; E103-E106 WeakPolarHBondContact O-CB 3.35Å; E103-E106 PolarHBondContact O-N 3.45Å; E103-S107 PolarHBondContact O-N 3.23Å; E103-S107 VanDerWaalsContact O-N 3.13Å; E103-K127 VanDerWaalsContact CD-CE 3.46Å; E103-K127 WeakPolarHBondContact OE1-CE 3.48Å; E103-K127 IonicContact OE1-NZ 3.56Å; E103-W139 HydrophobicContact CG-CH2 3.84Å; E103-W139 HydrophobicContact CG-CZ2 4.26Å
104	Y	88.7	Confident	86.6	Confident	80 Å²	80	35.5 Å²	35.5	31%	0.314	18%	0.177	S	C	.	.	H	α-helix	trans	-61	-46.7	172.8	173.4	-95.7	0	0	0	111.1	F77 I79 S100 T101 E106 S107 E108	F77-Y104 AromaticContact CE2-CD1 3.78Å; F77-Y104 HydrophobicContact CE2-CD1 3.78Å; F77-Y104 HydrophobicContact CE2-CE1 4.05Å; F77-Y104 AromaticContact CZ-CD1 3.65Å; F77-Y104 HydrophobicContact CZ-CD1 3.65Å; F77-Y104 AromaticContact CZ-CE1 3.95Å; F77-Y104 HydrophobicContact CZ-CE1 3.95Å; I79-Y104 WeakPolarHBondContact CG2-OH 3.33Å; I79-Y104 PolarHBondContact O-OH 3.49Å; S100-Y104 PolarHBondContact O-N 2.89Å; T101-Y104 PolarHBondContact O-N 3.26Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; Y104-E106 PolarHBondContact O-N 3.42Å; Y104-S107 PolarHBondContact O-N 2.96Å; Y104-E108 HydrophobicContact CE1-CG 4.02Å; Y104-E108 HydrophobicContact CE2-CG 4.24Å; Y104-E108 PolarHBondContact O-N 3.3Å; Y104-E108 VanDerWaalsContact O-N 3.07Å
105	L	89.2	Confident	86.5	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-34.2	177.1	-72.9	173.3	0	0	0	112.5	V28 F77 S95 T97 T101 A102 A109	V28-L105 HydrophobicContact CB-CD1 4.43Å; V28-L105 HydrophobicContact CG1-CD1 4.03Å; F77-L105 HydrophobicContact CD2-CD1 4.14Å; F77-L105 HydrophobicContact CD2-CD2 4.07Å; F77-L105 HydrophobicContact CD2-CG 4.21Å; F77-L105 HydrophobicContact CE2-CD1 4.35Å; F77-L105 HydrophobicContact CE2-CD2 3.81Å; F77-L105 HydrophobicContact CE2-CG 3.94Å; S95-L105 VanDerWaalsContact CB-CD1 3.49Å; T97-L105 HydrophobicContact CG2-CD1 4.41Å; T101-L105 HydrophobicContact CG2-CD1 4.34Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3.26Å; A102-L105 PolarHBondContact O-N 2.92Å; L105-A109 WeakPolarHBondContact O-CB 3.24Å; L105-A109 PolarHBondContact O-N 3.27Å
106	E	87.9	Confident	86.4	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-47.8	172.7	165.7	177.4	-119.5	0	0	111.7	A102 E103 Y104 E108 A109 Y110 K127 T137 W139	A102-E106 WeakPolarHBondContact O-CB 3.4Å; A102-E106 PolarHBondContact O-N 3.39Å; E103-E106 WeakPolarHBondContact O-CB 3.35Å; E103-E106 PolarHBondContact O-N 3.45Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; Y104-E106 PolarHBondContact O-N 3.42Å; E106-E108 PolarHBondContact O-N 2.93Å; E106-A109 PolarHBondContact O-N 3.16Å; E106-Y110 VanDerWaalsContact O-CB 3.31Å; E106-Y110 WeakPolarHBondContact O-CB 3.41Å; E106-Y110 PolarHBondContact O-N 2.97Å; E106-K127 IonicContact OE2-NZ 2.86Å; E106-K127 PolarHBondContact OE2-NZ 3.33Å; E106-T137 HydrophobicContact CB-CG2 4.41Å; E106-T137 WeakPolarHBondContact CB-OG1 3.41Å; E106-T137 WeakPolarHBondContact CG-OG1 3.44Å; E106-W139 HydrophobicContact CB-CZ2 4.38Å; E106-W139 PolarHBondContact OE1-NE1 2.93Å
107	S	86.1	Confident	86.5	Confident	76 Å²	76	35.6 Å²	35.6	53%	0.531	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-45.5	178	-179.4	0	0	0	0	111.7	E103 Y104 R111	E103-S107 PolarHBondContact O-N 3.23Å; E103-S107 VanDerWaalsContact O-N 3.13Å; Y104-S107 PolarHBondContact O-N 2.96Å; S107-R111 PolarHBondContact O-N 2.82Å
108	E	86.1	Confident	86.7	Confident	35 Å²	35	35.5 Å²	35.5	16%	0.164	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-41.3	178.8	-74.3	-63.6	119.7	0	0	112.2	L82 Y104 E106 Y110 R111 Y112	L82-E108 HydrophobicContact CD2-CB 3.59Å; Y104-E108 HydrophobicContact CE1-CG 4.02Å; Y104-E108 HydrophobicContact CE2-CG 4.24Å; Y104-E108 PolarHBondContact O-N 3.3Å; Y104-E108 VanDerWaalsContact O-N 3.07Å; E106-E108 PolarHBondContact O-N 2.93Å; E108-Y110 VanDerWaalsContact C-N 3.34Å; E108-Y110 PolarHBondContact O-N 3.21Å; E108-R111 WeakPolarHBondContact O-CB 3.43Å; E108-R111 PolarHBondContact O-N 3.39Å; E108-Y112 WeakPolarHBondContact O-CD2 3.45Å; E108-Y112 PolarHBondContact O-N 3.06Å; E108-Y112 WeakPolarHBondContact OE2-CE2 3.42Å
109	A	87	Confident	86.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-39.1	178	0	0	0	0	0	112.1	L82 L105 E106 R111 Y112 H113 L114 H116	L82-A109 HydrophobicContact CD2-CB 4.33Å; L105-A109 WeakPolarHBondContact O-CB 3.24Å; L105-A109 PolarHBondContact O-N 3.27Å; E106-A109 PolarHBondContact O-N 3.16Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.48Å; A109-Y112 CarbonylContact O-C 3.56Å; A109-Y112 PolarHBondContact O-N 3.37Å; A109-H113 PolarHBondContact O-N 3.06Å; A109-H113 VanDerWaalsContact O-N 3.13Å; A109-L114 HydrophobicContact CB-CB 4.47Å; A109-L114 PolarHBondContact O-N 2.92Å; A109-H116 HydrophobicContact CB-CB 3.64Å
110	Y	84.6	Confident	87	Confident	86 Å²	86	33.3 Å²	33.3	34%	0.337	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-44.5	174.5	178.9	-108.8	0	0	0	111.6	E106 E108 Y112 H113 E134	E106-Y110 VanDerWaalsContact O-CB 3.31Å; E106-Y110 WeakPolarHBondContact O-CB 3.41Å; E106-Y110 PolarHBondContact O-N 2.97Å; E108-Y110 VanDerWaalsContact C-N 3.34Å; E108-Y110 PolarHBondContact O-N 3.21Å; Y110-Y112 PolarHBondContact O-N 3.45Å; Y110-H113 PolarHBondContact O-N 3.42Å; Y110-H113 VanDerWaalsContact O-N 3.07Å; Y110-E134 VanDerWaalsContact CD2-O 3.3Å; Y110-E134 WeakPolarHBondContact CD2-O 3.45Å; Y110-E134 VanDerWaalsContact CE2-C 3.47Å; Y110-E134 WeakPolarHBondContact CE2-O 3.34Å
111	R	81.2	Confident	86.6	Confident	165 Å²	165	30.4 Å²	30.4	62%	0.623	14%	0.137	S	C	*	.	H	α-helix	trans	-57.3	-36.1	177.5	-176.7	-178	-177.8	-179.5	2	113	S107 E108 A109	S107-R111 PolarHBondContact O-N 2.82Å; E108-R111 WeakPolarHBondContact O-CB 3.43Å; E108-R111 PolarHBondContact O-N 3.39Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.48Å
112	Y	80.3	Confident	85.6	Confident	27 Å²	27	30.3 Å²	30.3	11%	0.106	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	8.9	179.8	-58.1	-60.3	0	0	0	113.8	L82 I86 E108 A109 Y110 L114 C370 I373	L82-Y112 HydrophobicContact CD2-CD2 3.81Å; L82-Y112 HydrophobicContact CD2-CE2 4.2Å; I86-Y112 HydrophobicContact CD1-CD1 4.23Å; I86-Y112 HydrophobicContact CD1-CD2 3.6Å; I86-Y112 HydrophobicContact CD1-CE2 4.2Å; I86-Y112 HydrophobicContact CD1-CG 3.63Å; E108-Y112 WeakPolarHBondContact O-CD2 3.45Å; E108-Y112 PolarHBondContact O-N 3.06Å; E108-Y112 WeakPolarHBondContact OE2-CE2 3.42Å; A109-Y112 CarbonylContact O-C 3.56Å; A109-Y112 PolarHBondContact O-N 3.37Å; Y110-Y112 PolarHBondContact O-N 3.45Å; Y112-L114 PolarHBondContact O-N 2.9Å; Y112-L114 VanDerWaalsContact O-N 3.11Å; Y112-C370 HydrophobicContact CE1-CB 4.1Å; Y112-I373 HydrophobicContact CD1-CD1 3.3Å; Y112-I373 HydrophobicContact CE1-CD1 3.94Å; Y112-I373 HydrophobicContact CG-CD1 4.07Å
113	H	80.5	Confident	84.7	Confident	30 Å²	30	31.9 Å²	31.9	14%	0.139	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	36.1	-173.2	-56.8	-58	0	0	0	112.8	A109 Y110 D379 G382	A109-H113 PolarHBondContact O-N 3.06Å; A109-H113 VanDerWaalsContact O-N 3.13Å; Y110-H113 PolarHBondContact O-N 3.42Å; Y110-H113 VanDerWaalsContact O-N 3.07Å; H113-D379 IonicContact CD2-OD1 3.23Å; H113-D379 IonicContact CE1-OD1 2.78Å; H113-D379 PolarHBondContact CE1-OD1 3.35Å; H113-D379 IonicContact CG-OD1 2.83Å; H113-D379 IonicContact ND1-OD1 3.44Å; H113-D379 PolarHBondContact ND1-OD1 3.44Å; H113-D379 IonicContact NE2-OD1 3.89Å; H113-D379 PolarHBondContact NE2-OD1 3.11Å; H113-G382 VanDerWaalsContact O-CA 3.27Å; H113-G382 WeakPolarHBondContact O-CA 3.27Å
114	L	84.7	Confident	84	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.			trans	-94.8	124.3	-177.6	-175.2	59.8	0	0	0	108.5	L82 I86 V93 A109 Y112 H116 T136	L82-L114 HydrophobicContact CD1-CD2 3.82Å; L82-L114 HydrophobicContact CG-CD2 4.23Å; I86-L114 HydrophobicContact CD1-CD2 4.3Å; I86-L114 HydrophobicContact CG1-CD2 4.02Å; V93-L114 HydrophobicContact CG2-CD2 3.51Å; V93-L114 HydrophobicContact CG2-CG 4.07Å; A109-L114 HydrophobicContact CB-CB 4.47Å; A109-L114 PolarHBondContact O-N 2.92Å; Y112-L114 PolarHBondContact O-N 2.9Å; Y112-L114 VanDerWaalsContact O-N 3.11Å; L114-H116 PolarHBondContact O-N 3.16Å; L114-T136 WeakPolarHBondContact O-CB 3.48Å; L114-T136 PolarHBondContact O-OG1 2.82Å
115	P	89.7	Confident	83.1	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.			trans	-58.3	127.9	170	-25.3	34.1	0	0	0	110.7	L92 V93 T136 Y362 G382 F385	L92-P115 HydrophobicContact CD1-CB 3.89Å; V93-P115 PolarHBondContact N-O 2.94Å; P115-T136 WeakPolarHBondContact CA-O 3.49Å; P115-Y362 WeakPolarHBondContact CD-OH 3.37Å; P115-G382 WeakPolarHBondContact CG-O 3.34Å; P115-F385 HydrophobicContact CB-CD1 3.84Å; P115-F385 HydrophobicContact CB-CE1 4.43Å; P115-F385 HydrophobicContact CG-CB 3.76Å; P115-F385 HydrophobicContact CG-CD1 3.6Å; P115-F385 HydrophobicContact CG-CG 3.89Å
116	H	90.9	Very high	81.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.6	-179.2	174.9	-130.9	0	0	0	109.7	V93 S95 A109 L114 T136 T137 I138	V93-H116 CarbonylContact O-C 3.54Å; V93-H116 VanDerWaalsContact O-CA 3.31Å; V93-H116 WeakPolarHBondContact O-CA 3.41Å; S95-H116 WeakPolarHBondContact CB-NE2 3.41Å; S95-H116 PolarHBondContact OG-NE2 3.36Å; A109-H116 HydrophobicContact CB-CB 3.64Å; L114-H116 PolarHBondContact O-N 3.16Å; H116-T136 PolarHBondContact N-O 2.99Å; H116-T137 HydrophobicContact CB-CG2 4.37Å; H116-T137 WeakPolarHBondContact ND1-CG2 3.31Å; H116-T137 PolarHBondContact ND1-OG1 2.96Å; H116-T137 VanDerWaalsContact ND1-OG1 3.17Å; H116-T137 CarbonylContact O-C 3.6Å; H116-T137 WeakPolarHBondContact O-CA 3.5Å; H116-I138 PolarHBondContact O-N 3.47Å
117	V	91.9	Very high	80.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.2	173.5	179.3	0	0	0	0	107.3	L92 V93 L94 S95 I119 I138 I140 M344 L389	L92-V117 HydrophobicContact CD1-CG2 3.96Å; V93-V117 PolarHBondContact O-N 3.47Å; L94-V117 CarbonylContact C-O 3.5Å; L94-V117 WeakPolarHBondContact CA-O 3.44Å; L94-V117 HydrophobicContact CG-CB 4.27Å; S95-V117 PolarHBondContact N-O 3.48Å; V117-I119 HydrophobicContact CG1-CD1 4.45Å; V117-I119 HydrophobicContact CG1-CG1 4.09Å; V117-I138 CarbonylContact C-O 3.54Å; V117-I138 WeakPolarHBondContact CA-O 3.34Å; V117-I138 HydrophobicContact CG2-CB 4.44Å; V117-I140 HydrophobicContact CG1-CD1 3.48Å; V117-I140 VanDerWaalsContact CG1-CD1 3.48Å; V117-I140 HydrophobicContact CG1-CG1 4.08Å; V117-M344 HydrophobicContact CB-CE 4.48Å; V117-M344 HydrophobicContact CG1-CE 3.97Å; V117-M344 HydrophobicContact CG1-CG 4.22Å; V117-M344 HydrophobicContact CG2-CE 3.65Å; V117-L389 HydrophobicContact CG2-CD2 3.65Å
118	A	90.3	Very high	78.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.9	177.2	0	0	0	0	0	109.4	S95 A102 P120 T137 I138 W139 I140	S95-A118 WeakPolarHBondContact OG-CA 3.4Å; A102-A118 HydrophobicContact CB-CB 4.2Å; A118-P120 VanDerWaalsContact O-CD 3.28Å; A118-P120 WeakPolarHBondContact O-CD 3.48Å; A118-T137 HydrophobicContact CB-CG2 3.85Å; A118-I138 PolarHBondContact N-O 3.03Å; A118-W139 HydrophobicContact CB-CD2 3.84Å; A118-W139 HydrophobicContact CB-CE3 3.73Å; A118-W139 HydrophobicContact CB-CG 4.38Å; A118-W139 HydrophobicContact CB-CH2 4.41Å; A118-W139 HydrophobicContact CB-CZ2 4.49Å; A118-W139 HydrophobicContact CB-CZ3 4.05Å; A118-I140 PolarHBondContact O-N 3.03Å
119	I	89.8	Confident	77.3	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	22%	0.22	C	C	.	.			trans	-117.1	70.1	172.5	-48.7	164.8	0	0	0	107.5	S95 L96 V117 I140 R337 I340	S95-I119 CarbonylContact O-C 3.52Å; S95-I119 PolarHBondContact O-N 2.73Å; L96-I119 HydrophobicContact CD1-CD1 4.28Å; L96-I119 HydrophobicContact CG-CB 4.46Å; L96-I119 HydrophobicContact CG-CD1 4.47Å; V117-I119 HydrophobicContact CG1-CD1 4.45Å; V117-I119 HydrophobicContact CG1-CG1 4.09Å; I119-I140 HydrophobicContact CG1-CB 4.3Å; I119-I140 HydrophobicContact CG1-CD1 4.36Å; I119-R337 HydrophobicContact CG2-CB 3.99Å; I119-R337 HydrophobicContact CG2-CG 3.83Å; I119-R337 PolarHBondContact O-NH1 3.3Å; I119-I340 HydrophobicContact CD1-CB 4.23Å; I119-I340 HydrophobicContact CD1-CG2 3.6Å; I119-I340 HydrophobicContact CG1-CG2 3.98Å; I119-I340 HydrophobicContact CG2-CB 4.49Å; I119-I340 HydrophobicContact CG2-CD1 4.42Å; I119-I340 HydrophobicContact CG2-CG2 4.2Å
120	P	86	Confident	75.5	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.026	26%	0.257	C	S	.	.			trans	-77.3	-173.2	-177.4	38.1	-39.7	0	0	0	111	T97 A102 A118 C124 W139 Q141	T97-P120 VanDerWaalsContact O-CA 3.23Å; T97-P120 WeakPolarHBondContact O-CA 3.4Å; A102-P120 HydrophobicContact CB-CB 4.34Å; A118-P120 VanDerWaalsContact O-CD 3.28Å; A118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-C124 WeakPolarHBondContact CB-SG 3.37Å; P120-W139 HydrophobicContact CB-CZ3 4.36Å; P120-W139 HydrophobicContact CG-CE3 3.87Å; P120-W139 HydrophobicContact CG-CZ3 3.83Å; P120-Q141 HydrophobicContact CG-CB 3.97Å; P120-Q141 HydrophobicContact CG-CG 4.5Å
121	R	77	Confident	74.1	Confident	21 Å²	21	56.5 Å²	56.5	8%	0.079	27%	0.267	C	S	.	.			trans	-72.9	149.6	170.2	-76.8	-166.9	173.1	136.4	13.1	111.8	V32 T123 C124 K247 P248 D276	V32-R121 PolarHBondContact O-NH2 3.4Å; R121-T123 PolarHBondContact O-N 2.98Å; R121-C124 PolarHBondContact O-SG 3.04Å; R121-K247 PolarHBondContact NH1-O 2.84Å; R121-P248 VanDerWaalsContact CZ-CA 3.42Å; R121-P248 VanDerWaalsContact NH1-N 3.19Å; R121-P248 VanDerWaalsContact NH2-CA 3.32Å; R121-P248 VanDerWaalsContact NH2-CB 3.28Å; R121-D276 IonicContact CZ-OD2 3.45Å; R121-D276 IonicContact NE-OD2 3.13Å; R121-D276 PolarHBondContact NE-OD2 3.41Å; R121-D276 VanDerWaalsContact NE-OD2 3.13Å; R121-D276 IonicContact NH2-OD2 3.27Å; R121-D276 PolarHBondContact NH2-OD2 2.94Å
122	P	69.7	Low	72.9	Confident	16 Å²	16	52.5 Å²	52.5	10%	0.104	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	101.9	168.6	26.8	-29.6	0	0	0	107.8	E273 P275	P122-E273 HydrophobicContact CB-CB 4.35Å; P122-E273 HydrophobicContact CG-CB 3.91Å; P122-P275 HydrophobicContact CG-CG 3.94Å
123	T	68.8	Low	71.8	Confident	33 Å²	33	55.7 Å²	55.7	20%	0.202	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	165.4	-10.8	172.9	33	0	0	0	0	111.8	R121 E125 T246	R121-T123 PolarHBondContact O-N 2.98Å; T123-E125 PolarHBondContact O-N 3.4Å; T123-T246 HydrophobicContact CG2-CG2 4.18Å
124	C	74.7	Confident	71.1	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.041	30%	0.297	C	S	.	.			trans	-61.6	137.4	175.7	-46.7	0	0	0	0	110.8	C99 P120 R121 Q141 P144	C99-C124 WeakPolarHBondContact CA-SG 3.32Å; C99-C124 HydrophobicContact CB-CB 3.79Å; C99-C124 WeakPolarHBondContact CB-SG 3.5Å; C99-C124 WeakPolarHBondContact SG-CA 3.42Å; C99-C124 WeakPolarHBondContact SG-CB 3.43Å; C99-C124 PolarHBondContact SG-N 3.18Å; C99-C124 CovalentContact SG-SG 2.02Å; C99-C124 PolarHBondContact SG-SG 3.2Å; P120-C124 WeakPolarHBondContact CB-SG 3.37Å; R121-C124 PolarHBondContact O-SG 3.04Å; C124-Q141 PolarHBondContact SG-OE1 3.23Å; C124-Q141 VanDerWaalsContact SG-OE1 3.4Å; C124-P144 WeakPolarHBondContact O-CD 3.41Å; C124-P144 WeakPolarHBondContact O-CG 3.43Å
125	E	68.4	Low	70.7	Confident	151 Å²	151	59.6 Å²	59.6	71%	0.706	30%	0.303	S	S	*	.			trans	-64.2	137.9	170.6	-65.8	-174.2	170.5	0	0	109.4	T123 K127	T123-E125 PolarHBondContact O-N 3.4Å; E125-K127 PolarHBondContact O-N 2.62Å
126	E	62	Low	70.4	Confident	121 Å²	121	59.7 Å²	59.7	57%	0.565	30%	0.303	S	S	*	.			trans	-69.2	115.5	173.5	-174.7	174.6	-170.8	0	0	108.5	Q128 N143	E126-Q128 PolarHBondContact O-N 3.36Å; E126-N143 PolarHBondContact OE2-ND2 3.17Å
127	K	59	Low	70.2	Confident	92 Å²	92	59.8 Å²	59.8	40%	0.4	30%	0.304	S	S	.	.			trans	-65.9	122.8	168.2	-72.7	-174.5	-176.4	173.8	0	108.9	E103 E106 E125 I129	E103-K127 VanDerWaalsContact CD-CE 3.46Å; E103-K127 WeakPolarHBondContact OE1-CE 3.48Å; E103-K127 IonicContact OE1-NZ 3.56Å; E106-K127 IonicContact OE2-NZ 2.86Å; E106-K127 PolarHBondContact OE2-NZ 3.33Å; E125-K127 PolarHBondContact O-N 2.62Å; K127-I129 VanDerWaalsContact C-N 3.32Å; K127-I129 PolarHBondContact O-N 3.44Å
128	Q	52.5	Low	70.1	Confident	182 Å²	182	60.7 Å²	60.7	85%	0.85	31%	0.309	S	S	*	.			trans	-66	93.6	165.8	-76.4	172.4	-16.6	0	0	108.6	E126 T130	E126-Q128 PolarHBondContact O-N 3.36Å; Q128-T130 PolarHBondContact O-N 2.88Å
129	I	54.2	Low	69.9	Low	83 Å²	83	63.1 Å²	63.1	43%	0.426	32%	0.318	S	S	.	.			trans	-69	98.1	172.4	-57.5	172.1	0	0	0	107	K127 K131	K127-I129 VanDerWaalsContact C-N 3.32Å; K127-I129 PolarHBondContact O-N 3.44Å; I129-K131 VanDerWaalsContact CG2-O 3.22Å; I129-K131 WeakPolarHBondContact CG2-O 3.13Å; I129-K131 PolarHBondContact O-N 3.42Å
130	T	50.2	Low	69.9	Low	125 Å²	125	63 Å²	63	77%	0.767	32%	0.317	S	S	*	.	S	Bend	trans	-62.7	-26.4	-179.2	51.4	0	0	0	0	112.3	Q128	Q128-T130 PolarHBondContact O-N 2.88Å
131	K	54.1	Low	69.8	Low	126 Å²	126	64.5 Å²	64.5	55%	0.548	32%	0.324	S	S	.	.			trans	-142.9	120.6	174.8	-69.2	178.5	-174.6	166.3	0	111.8	I129 T133 E134	I129-K131 VanDerWaalsContact CG2-O 3.22Å; I129-K131 WeakPolarHBondContact CG2-O 3.13Å; I129-K131 PolarHBondContact O-N 3.42Å; K131-T133 PolarHBondContact O-N 3.15Å; K131-E134 HydrophobicContact CB-CG 4.29Å; K131-E134 PolarHBondContact O-N 3.04Å
132	V	56.1	Low	70.2	Confident	82 Å²	82	63.9 Å²	63.9	50%	0.497	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-54.2	-17.1	175.7	175.5	0	0	0	0	113.6
133	T	56.7	Low	71	Confident	93 Å²	93	65.1 Å²	65.1	57%	0.571	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-82.2	-7.3	-176.5	50.2	0	0	0	0	115.1	K131 R383	K131-T133 PolarHBondContact O-N 3.15Å; T133-R383 PolarHBondContact O-NH1 3.46Å
134	E	66.5	Low	71.9	Confident	92 Å²	92	63.9 Å²	63.9	43%	0.43	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-106.1	9.1	-167.6	-66.8	179.7	-173.2	0	0	114.9	Y110 K131	Y110-E134 VanDerWaalsContact CD2-O 3.3Å; Y110-E134 WeakPolarHBondContact CD2-O 3.45Å; Y110-E134 VanDerWaalsContact CE2-C 3.47Å; Y110-E134 WeakPolarHBondContact CE2-O 3.34Å; K131-E134 HydrophobicContact CB-CG 4.29Å; K131-E134 PolarHBondContact O-N 3.04Å
135	T	76.8	Confident	72.5	Confident	21 Å²	21	67.2 Å²	67.2	13%	0.129	34%	0.335	C	S	.	.			trans	-137.8	145.8	178.4	73.3	0	0	0	0	113
136	T	83.3	Confident	73.5	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	31%	0.306	C	S	.	.			trans	-105.9	14.8	166.3	54.7	0	0	0	0	111.6	L114 P115 H116 Y386	L114-T136 WeakPolarHBondContact O-CB 3.48Å; L114-T136 PolarHBondContact O-OG1 2.82Å; P115-T136 WeakPolarHBondContact CA-O 3.49Å; H116-T136 PolarHBondContact N-O 2.99Å; T136-Y386 VanDerWaalsContact C-CD2 3.4Å; T136-Y386 VanDerWaalsContact C-CE2 3.47Å; T136-Y386 VanDerWaalsContact O-CD2 3.26Å; T136-Y386 WeakPolarHBondContact O-CD2 3.14Å
137	T	87.4	Confident	74.9	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.5	-176.8	-57.7	0	0	0	0	111.4	E106 H116 A118 W139	E106-T137 HydrophobicContact CB-CG2 4.41Å; E106-T137 WeakPolarHBondContact CB-OG1 3.41Å; E106-T137 WeakPolarHBondContact CG-OG1 3.44Å; H116-T137 HydrophobicContact CB-CG2 4.37Å; H116-T137 WeakPolarHBondContact ND1-CG2 3.31Å; H116-T137 PolarHBondContact ND1-OG1 2.96Å; H116-T137 VanDerWaalsContact ND1-OG1 3.17Å; H116-T137 CarbonylContact O-C 3.6Å; H116-T137 WeakPolarHBondContact O-CA 3.5Å; A118-T137 HydrophobicContact CB-CG2 3.85Å; T137-W139 HydrophobicContact CG2-CD2 4.45Å; T137-W139 HydrophobicContact CG2-CG 4.3Å
138	I	88.2	Confident	76.5	Confident	19 Å²	19	51.4 Å²	51.4	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.9	166.6	-58.4	178	0	0	0	107.4	H116 V117 A118 I140 Y386 L389 R390	H116-I138 PolarHBondContact O-N 3.47Å; V117-I138 CarbonylContact C-O 3.54Å; V117-I138 WeakPolarHBondContact CA-O 3.34Å; V117-I138 HydrophobicContact CG2-CB 4.44Å; A118-I138 PolarHBondContact N-O 3.03Å; I138-I140 HydrophobicContact CG2-CG1 4.25Å; I138-Y386 HydrophobicContact CD1-CE2 4.47Å; I138-Y386 HydrophobicContact CG1-CD2 4.08Å; I138-Y386 HydrophobicContact CG1-CE2 3.65Å; I138-L389 HydrophobicContact CD1-CB 3.98Å; I138-L389 HydrophobicContact CD1-CD2 3.67Å; I138-L389 HydrophobicContact CD1-CG 3.57Å; I138-R390 HydrophobicContact CD1-CB 4.05Å
139	W	86.9	Confident	78.4	Confident	51 Å²	51	45.1 Å²	45.1	19%	0.193	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.3	174.8	-69.9	85.6	0	0	0	109.7	A102 E103 E106 A118 P120 T137 Q141	A102-W139 HydrophobicContact CB-CH2 3.68Å; A102-W139 HydrophobicContact CB-CZ3 3.83Å; E103-W139 HydrophobicContact CG-CH2 3.84Å; E103-W139 HydrophobicContact CG-CZ2 4.26Å; E106-W139 HydrophobicContact CB-CZ2 4.38Å; E106-W139 PolarHBondContact OE1-NE1 2.93Å; A118-W139 HydrophobicContact CB-CD2 3.84Å; A118-W139 HydrophobicContact CB-CE3 3.73Å; A118-W139 HydrophobicContact CB-CG 4.38Å; A118-W139 HydrophobicContact CB-CH2 4.41Å; A118-W139 HydrophobicContact CB-CZ2 4.49Å; A118-W139 HydrophobicContact CB-CZ3 4.05Å; P120-W139 HydrophobicContact CB-CZ3 4.36Å; P120-W139 HydrophobicContact CG-CE3 3.87Å; P120-W139 HydrophobicContact CG-CZ3 3.83Å; T137-W139 HydrophobicContact CG2-CD2 4.45Å; T137-W139 HydrophobicContact CG2-CG 4.3Å; W139-Q141 HydrophobicContact CB-CG 4.49Å
140	I	88.6	Confident	80.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.21	C	C	.	.			trans	-106.6	86.7	172.6	-56.5	176.2	0	0	0	106.9	V117 A118 I119 I138 I340 M344 W398	V117-I140 HydrophobicContact CG1-CD1 3.48Å; V117-I140 VanDerWaalsContact CG1-CD1 3.48Å; V117-I140 HydrophobicContact CG1-CG1 4.08Å; A118-I140 PolarHBondContact O-N 3.03Å; I119-I140 HydrophobicContact CG1-CB 4.3Å; I119-I140 HydrophobicContact CG1-CD1 4.36Å; I138-I140 HydrophobicContact CG2-CG1 4.25Å; I140-I340 HydrophobicContact CB-CG2 4.44Å; I140-I340 HydrophobicContact CD1-CG2 3.78Å; I140-I340 HydrophobicContact CG2-CD1 4.17Å; I140-I340 HydrophobicContact CG2-CG2 3.84Å; I140-M344 HydrophobicContact CD1-CE 4.24Å; I140-M344 HydrophobicContact CD1-CG 3.69Å; I140-M344 HydrophobicContact CD1-SD 3.93Å; I140-W398 HydrophobicContact CD1-CD2 4.23Å; I140-W398 HydrophobicContact CD1-CH2 4.37Å; I140-W398 HydrophobicContact CD1-CZ2 3.89Å; I140-W398 HydrophobicContact CG1-CD2 4.21Å; I140-W398 HydrophobicContact CG1-CG 4.33Å; I140-W398 HydrophobicContact CG2-CB 4.49Å; I140-W398 HydrophobicContact CG2-CD2 3.64Å; I140-W398 HydrophobicContact CG2-CE3 3.42Å; I140-W398 VanDerWaalsContact CG2-CE3 3.42Å; I140-W398 HydrophobicContact CG2-CG 4.13Å; I140-W398 HydrophobicContact CG2-CZ3 3.9Å
141	Q	85	Confident	82.2	Confident	34 Å²	34	35.2 Å²	35.2	16%	0.159	17%	0.174	C	C	.	.			trans	-153.5	157.6	179.2	69.1	-176.2	10.8	0	0	109.9	P120 C124 W139	P120-Q141 HydrophobicContact CG-CB 3.97Å; P120-Q141 HydrophobicContact CG-CG 4.5Å; C124-Q141 PolarHBondContact SG-OE1 3.23Å; C124-Q141 VanDerWaalsContact SG-OE1 3.4Å; W139-Q141 HydrophobicContact CB-CG 4.49Å
142	T	85.8	Confident	84	Confident	8 Å²	8	29.4 Å²	29.4	5%	0.049	15%	0.149	C	C	.	.			trans	-87.3	132.6	172	-50.8	0	0	0	0	110.7	M147 E273 L401	T142-M147 HydrophobicContact CG2-CB 4.14Å; T142-M147 HydrophobicContact CG2-CE 4.19Å; T142-E273 WeakPolarHBondContact CB-OE1 3.43Å; T142-E273 PolarHBondContact OG1-OE1 3.37Å; T142-L401 HydrophobicContact CG2-CD1 3.84Å; T142-L401 HydrophobicContact CG2-CD2 3.84Å; T142-L401 HydrophobicContact CG2-CG 4.31Å; T142-L401 WeakPolarHBondContact OG1-CD2 3.46Å
143	N	85.6	Confident	85.7	Confident	43 Å²	43	26.5 Å²	26.5	23%	0.23	13%	0.13	C	C	.	.			trans	-63.4	128.4	169.9	174	-18	0	0	0	109.8	E126 F145 R146 M147	E126-N143 PolarHBondContact OE2-ND2 3.17Å; N143-F145 VanDerWaalsContact C-N 3.28Å; N143-F145 PolarHBondContact O-N 3.08Å; N143-F145 WeakPolarHBondContact OD1-CB 3.28Å; N143-F145 PolarHBondContact OD1-N 3.49Å; N143-R146 HydrophobicContact CB-CB 3.95Å; N143-R146 WeakPolarHBondContact O-CA 3.19Å; N143-R146 WeakPolarHBondContact O-CB 3.35Å; N143-R146 PolarHBondContact O-N 3.3Å; N143-M147 PolarHBondContact O-N 3.04Å
144	P	87.1	Confident	87.4	Confident	6 Å²	6	22 Å²	22	4%	0.039	10%	0.103	C	C	.	.	H	α-helix	trans	-50.9	-40	175.6	-29.3	35.9	0	0	0	115.1	C124 R146 M147 A148 A172 I173	C124-P144 WeakPolarHBondContact O-CD 3.41Å; C124-P144 WeakPolarHBondContact O-CG 3.43Å; P144-R146 VanDerWaalsContact C-N 3.34Å; P144-M147 PolarHBondContact O-N 3.25Å; P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 3.29Å; P144-A172 HydrophobicContact CB-CB 3.74Å; P144-A172 HydrophobicContact CG-CB 4.17Å; P144-I173 HydrophobicContact CB-CG1 3.88Å
145	F	88.5	Confident	88.6	Confident	77 Å²	77	17.7 Å²	17.7	34%	0.338	8%	0.082	S	C	.	.	H	α-helix	trans	-69	-33.1	176.9	-171	-94.9	0	0	0	112.4	N143 A148 K149 L180	N143-F145 VanDerWaalsContact C-N 3.28Å; N143-F145 PolarHBondContact O-N 3.08Å; N143-F145 WeakPolarHBondContact OD1-CB 3.28Å; N143-F145 PolarHBondContact OD1-N 3.49Å; F145-A148 WeakPolarHBondContact O-CB 3.3Å; F145-A148 PolarHBondContact O-N 2.89Å; F145-K149 PolarHBondContact O-N 2.92Å; F145-L180 HydrophobicContact CE1-CD2 4.23Å; F145-L180 HydrophobicContact CE2-CD1 4.45Å; F145-L180 HydrophobicContact CE2-CD2 4.3Å; F145-L180 HydrophobicContact CE2-CG 4.12Å; F145-L180 HydrophobicContact CZ-CD1 4.25Å; F145-L180 HydrophobicContact CZ-CD2 3.6Å; F145-L180 HydrophobicContact CZ-CG 3.91Å
146	R	89.4	Confident	89.1	Confident	29 Å²	29	18.7 Å²	18.7	11%	0.109	9%	0.086	C	C	.	.	H	α-helix	trans	-70.8	-41.2	174.9	-171.7	175.3	172.1	96.3	3.2	111.1	N143 P144 A148 K149 A150 K399 Y422 T423 P424 D426	N143-R146 HydrophobicContact CB-CB 3.95Å; N143-R146 WeakPolarHBondContact O-CA 3.19Å; N143-R146 WeakPolarHBondContact O-CB 3.35Å; N143-R146 PolarHBondContact O-N 3.3Å; P144-R146 VanDerWaalsContact C-N 3.34Å; R146-A148 VanDerWaalsContact C-N 3.33Å; R146-K149 PolarHBondContact O-N 3.33Å; R146-A150 PolarHBondContact O-N 2.91Å; R146-K399 VanDerWaalsContact CZ-O 3.23Å; R146-K399 PolarHBondContact NE-O 2.96Å; R146-K399 PolarHBondContact NH2-O 2.96Å; R146-Y422 HydrophobicContact CG-CD1 4.42Å; R146-Y422 HydrophobicContact CG-CE1 3.69Å; R146-T423 VanDerWaalsContact NH2-C 3.32Å; R146-T423 PolarHBondContact NH2-O 2.82Å; R146-P424 PolarHBondContact NH1-O 2.93Å; R146-D426 IonicContact CZ-OD1 2.95Å; R146-D426 IonicContact NE-OD1 3.01Å; R146-D426 IonicContact NH1-OD1 3.82Å; R146-D426 PolarHBondContact NH1-OD1 3.42Å; R146-D426 IonicContact NH1-OD2 3.48Å
147	M	91.2	Very high	89.4	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-44.6	170.4	-178.6	56.5	75.8	0	0	110.9	T142 N143 P144 K149 A150 L151 I173 D272 E273 F299 L401	T142-M147 HydrophobicContact CG2-CB 4.14Å; T142-M147 HydrophobicContact CG2-CE 4.19Å; N143-M147 PolarHBondContact O-N 3.04Å; P144-M147 PolarHBondContact O-N 3.25Å; M147-K149 VanDerWaalsContact C-N 3.3Å; M147-K149 PolarHBondContact O-N 3.01Å; M147-A150 PolarHBondContact O-N 2.99Å; M147-A150 VanDerWaalsContact O-N 3.15Å; M147-L151 HydrophobicContact CG-CD1 3.94Å; M147-L151 HydrophobicContact CG-CG 4.33Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.38Å; M147-L151 PolarHBondContact O-N 3.09Å; M147-L151 HydrophobicContact SD-CD1 4.28Å; M147-L151 HydrophobicContact SD-CD2 4.45Å; M147-L151 HydrophobicContact SD-CG 4.08Å; M147-I173 HydrophobicContact CB-CD1 4.26Å; M147-I173 HydrophobicContact CB-CG1 4.35Å; M147-I173 HydrophobicContact CG-CD1 3.83Å; M147-I173 HydrophobicContact CG-CG1 4.35Å; M147-I173 HydrophobicContact CG-CG2 4.47Å; M147-D272 HydrophobicContact CE-CB 4.28Å; M147-D272 HydrophobicContact CG-CB 4.31Å; M147-D272 HydrophobicContact SD-CB 4.16Å; M147-E273 HydrophobicContact CE-CG 3.64Å; M147-E273 WeakPolarHBondContact CE-OE1 3.4Å; M147-F299 HydrophobicContact CE-CB 4.26Å; M147-F299 HydrophobicContact CE-CD2 4.46Å; M147-F299 HydrophobicContact SD-CD2 4.01Å; M147-F299 HydrophobicContact SD-CE2 4.28Å; M147-L401 HydrophobicContact CE-CD1 4.13Å
148	A	91.5	Very high	89.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.8	-43.6	174.5	0	0	0	0	0	112.6	P144 F145 R146 L152 I173 I177 L180	P144-A148 WeakPolarHBondContact O-CB 3.46Å; P144-A148 PolarHBondContact O-N 3.29Å; F145-A148 WeakPolarHBondContact O-CB 3.3Å; F145-A148 PolarHBondContact O-N 2.89Å; R146-A148 VanDerWaalsContact C-N 3.33Å; A148-L152 WeakPolarHBondContact O-CB 3.33Å; A148-L152 PolarHBondContact O-N 3.42Å; A148-I173 HydrophobicContact CB-CG2 4.16Å; A148-I177 HydrophobicContact CB-CG1 3.55Å; A148-L180 HydrophobicContact CB-CD1 4.33Å
149	K	92.5	Very high	89.3	Confident	50 Å²	50	30.3 Å²	30.3	22%	0.217	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-41.9	175.8	-174.1	169.9	163.6	-178.6	0	112.4	F145 R146 M147 L152 E153 L180 Y422 D426	F145-K149 PolarHBondContact O-N 2.92Å; R146-K149 PolarHBondContact O-N 3.33Å; M147-K149 VanDerWaalsContact C-N 3.3Å; M147-K149 PolarHBondContact O-N 3.01Å; K149-L152 PolarHBondContact O-N 3.38Å; K149-E153 WeakPolarHBondContact CE-OE1 3.37Å; K149-E153 IonicContact NZ-OE1 3.73Å; K149-E153 PolarHBondContact O-N 2.86Å; K149-L180 HydrophobicContact CB-CD1 3.88Å; K149-L180 HydrophobicContact CG-CD1 4.49Å; K149-Y422 WeakPolarHBondContact CD-OH 3.3Å; K149-Y422 WeakPolarHBondContact CE-OH 3.37Å; K149-Y422 VanDerWaalsContact CG-OH 3.29Å; K149-Y422 WeakPolarHBondContact CG-OH 3.26Å; K149-D426 HydrophobicContact CD-CB 4.19Å; K149-D426 WeakPolarHBondContact CE-O 3.31Å; K149-D426 PolarHBondContact NZ-O 3.19Å
150	A	93.3	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-43	176.6	0	0	0	0	0	112.3	R146 M147 E153 I154 F299 L401 Y422	R146-A150 PolarHBondContact O-N 2.91Å; M147-A150 PolarHBondContact O-N 2.99Å; M147-A150 VanDerWaalsContact O-N 3.15Å; A150-E153 PolarHBondContact O-N 3.19Å; A150-I154 PolarHBondContact O-N 3.46Å; A150-F299 HydrophobicContact CB-CE1 4.11Å; A150-F299 HydrophobicContact CB-CZ 3.92Å; A150-L401 HydrophobicContact CB-CD1 4.12Å; A150-Y422 HydrophobicContact CB-CD1 4.31Å; A150-Y422 HydrophobicContact CB-CD2 4.03Å; A150-Y422 HydrophobicContact CB-CE2 4.28Å; A150-Y422 HydrophobicContact CB-CG 4.02Å
151	L	92.7	Very high	88.8	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-41.1	175.9	-66.7	167.9	0	0	0	111.7	M147 I154 S155 I173 I177 F242 I270 F299	M147-L151 HydrophobicContact CG-CD1 3.94Å; M147-L151 HydrophobicContact CG-CG 4.33Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.38Å; M147-L151 PolarHBondContact O-N 3.09Å; M147-L151 HydrophobicContact SD-CD1 4.28Å; M147-L151 HydrophobicContact SD-CD2 4.45Å; M147-L151 HydrophobicContact SD-CG 4.08Å; L151-I154 PolarHBondContact O-N 3.46Å; L151-S155 PolarHBondContact O-N 3.25Å; L151-I173 HydrophobicContact CD1-CG2 3.8Å; L151-I177 HydrophobicContact CB-CD1 4.25Å; L151-I177 HydrophobicContact CD1-CD1 4.01Å; L151-F242 HydrophobicContact CB-CD1 4.38Å; L151-F242 HydrophobicContact CB-CE1 4.29Å; L151-F242 HydrophobicContact CD2-CD1 3.48Å; L151-F242 VanDerWaalsContact CD2-CD1 3.48Å; L151-F242 HydrophobicContact CD2-CE1 3.86Å; L151-F242 HydrophobicContact CD2-CG 4.47Å; L151-F242 HydrophobicContact CG-CD1 4.44Å; L151-I270 HydrophobicContact CD2-CG2 4.1Å; L151-F299 HydrophobicContact CD2-CD2 4.46Å; L151-F299 HydrophobicContact CD2-CE2 3.75Å; L151-F299 HydrophobicContact CG-CE2 4.44Å
152	L	91.4	Very high	88.9	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-47.5	174.4	-179.7	65.1	0	0	0	111.4	A148 K149 I154 S155 E156 L180 T181 R184 F195	A148-L152 WeakPolarHBondContact O-CB 3.33Å; A148-L152 PolarHBondContact O-N 3.42Å; K149-L152 PolarHBondContact O-N 3.38Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.31Å; L152-S155 WeakPolarHBondContact O-CB 3.39Å; L152-S155 PolarHBondContact O-N 3.5Å; L152-S155 VanDerWaalsContact O-N 3.1Å; L152-S155 PolarHBondContact O-OG 3.41Å; L152-E156 WeakPolarHBondContact O-CG 3.3Å; L152-E156 PolarHBondContact O-N 3.31Å; L152-L180 HydrophobicContact CD2-CB 3.68Å; L152-L180 HydrophobicContact CD2-CD1 4.32Å; L152-T181 HydrophobicContact CD1-CG2 3.84Å; L152-R184 HydrophobicContact CD2-CG 4.42Å; L152-F195 HydrophobicContact CD1-CE2 3.69Å; L152-F195 HydrophobicContact CD1-CZ 4.15Å
153	E	91.6	Very high	89	Confident	21 Å²	21	29.9 Å²	29.9	10%	0.098	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-36.6	179	-75.4	-174.9	-156.6	0	0	112.6	K149 A150 S155 E156 M157 M428	K149-E153 WeakPolarHBondContact CE-OE1 3.37Å; K149-E153 IonicContact NZ-OE1 3.73Å; K149-E153 PolarHBondContact O-N 2.86Å; A150-E153 PolarHBondContact O-N 3.19Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.84Å; E153-E156 PolarHBondContact O-N 3.11Å; E153-M157 WeakPolarHBondContact O-CB 3.25Å; E153-M157 VanDerWaalsContact O-CG 3.3Å; E153-M157 WeakPolarHBondContact O-CG 3.44Å; E153-M157 PolarHBondContact O-N 3.42Å; E153-M428 HydrophobicContact CB-CB 4.26Å; E153-M428 WeakPolarHBondContact OE2-CB 3.02Å; E153-M428 PolarHBondContact OE2-N 3.26Å
154	I	92.4	Very high	89.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-46.3	170.5	-75.9	-166	0	0	0	111.1	A150 L151 L152 E156 M157 E158 F242 I270 F299 F403 M428 L446	A150-I154 PolarHBondContact O-N 3.46Å; L151-I154 PolarHBondContact O-N 3.46Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.31Å; I154-E156 PolarHBondContact O-N 2.92Å; I154-M157 PolarHBondContact O-N 3.06Å; I154-E158 HydrophobicContact CG2-CG 4.48Å; I154-E158 PolarHBondContact O-N 3.29Å; I154-F242 HydrophobicContact CG2-CE1 4.19Å; I154-F242 HydrophobicContact CG2-CZ 4.36Å; I154-I270 HydrophobicContact CG2-CD1 3.66Å; I154-F299 HydrophobicContact CD1-CE1 3.84Å; I154-F299 HydrophobicContact CD1-CE2 3.68Å; I154-F299 HydrophobicContact CD1-CZ 3.12Å; I154-F299 HydrophobicContact CG1-CZ 3.86Å; I154-F403 HydrophobicContact CD1-CD1 4.45Å; I154-F403 HydrophobicContact CD1-CD2 3.39Å; I154-F403 HydrophobicContact CD1-CE2 3.51Å; I154-F403 HydrophobicContact CD1-CG 3.89Å; I154-F403 HydrophobicContact CD1-CZ 4.11Å; I154-M428 HydrophobicContact CD1-CE 3.59Å; I154-M428 HydrophobicContact CG1-CE 3.36Å; I154-L446 HydrophobicContact CB-CD1 4.29Å; I154-L446 HydrophobicContact CD1-CD1 4.5Å; I154-L446 HydrophobicContact CG1-CD1 4.1Å; I154-L446 HydrophobicContact CG2-CD1 3.86Å
155	S	90.5	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-35.6	179.9	74.2	0	0	0	0	112.5	L151 L152 E153 R159 A160 T193 F195	L151-S155 PolarHBondContact O-N 3.25Å; L152-S155 WeakPolarHBondContact O-CB 3.39Å; L152-S155 PolarHBondContact O-N 3.5Å; L152-S155 VanDerWaalsContact O-N 3.1Å; L152-S155 PolarHBondContact O-OG 3.41Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.84Å; S155-R159 PolarHBondContact O-N 2.91Å; S155-A160 PolarHBondContact O-N 3.29Å; S155-T193 PolarHBondContact OG-OG1 2.98Å; S155-F195 WeakPolarHBondContact OG-CZ 3.44Å
156	E	88.4	Confident	89	Confident	43 Å²	43	24.3 Å²	24.3	20%	0.201	11%	0.107	C	C	.	.	H	α-helix	trans	-70.9	-41.6	175.3	-68.6	-177.4	163.4	0	0	111.9	L152 E153 I154 E158 R159 R184 F191	L152-E156 WeakPolarHBondContact O-CG 3.3Å; L152-E156 PolarHBondContact O-N 3.31Å; E153-E156 PolarHBondContact O-N 3.11Å; I154-E156 PolarHBondContact O-N 2.92Å; E156-E158 VanDerWaalsContact C-N 3.31Å; E156-E158 PolarHBondContact O-N 3.19Å; E156-R159 PolarHBondContact O-N 2.88Å; E156-R159 VanDerWaalsContact O-N 3.09Å; E156-R184 IonicContact OE1-CZ 3.66Å; E156-R184 IonicContact OE1-NH1 3.35Å; E156-R184 PolarHBondContact OE1-NH1 2.84Å; E156-R184 IonicContact OE2-CZ 3.88Å; E156-R184 IonicContact OE2-NH1 2.69Å; E156-R184 PolarHBondContact OE2-NH1 3.25Å; E156-R184 IonicContact OE2-NH2 3.25Å; E156-F191 HydrophobicContact CG-CD1 4.44Å
157	M	89.6	Confident	88.8	Confident	53 Å²	53	23 Å²	23	26%	0.261	10%	0.102	S	C	.	.	H	α-helix	trans	-62.4	-37.7	175.2	-74.2	-179.8	67.8	0	0	112.6	E153 I154 R159 M428 L430 S444 L446	E153-M157 WeakPolarHBondContact O-CB 3.25Å; E153-M157 VanDerWaalsContact O-CG 3.3Å; E153-M157 WeakPolarHBondContact O-CG 3.44Å; E153-M157 PolarHBondContact O-N 3.42Å; I154-M157 PolarHBondContact O-N 3.06Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.42Å; M157-M428 HydrophobicContact CE-CG 4.35Å; M157-M428 HydrophobicContact SD-CB 3.89Å; M157-M428 HydrophobicContact SD-CG 3.36Å; M157-M428 WeakPolarHBondContact SD-CG 3.18Å; M157-L430 HydrophobicContact CE-CD1 4.44Å; M157-L430 HydrophobicContact CE-CD2 3.65Å; M157-L430 HydrophobicContact CE-CG 3.96Å; M157-S444 WeakPolarHBondContact O-CB 3.33Å; M157-L446 HydrophobicContact CB-CD1 4.05Å; M157-L446 HydrophobicContact CE-CD1 4.38Å; M157-L446 HydrophobicContact CE-CD2 3.89Å; M157-L446 HydrophobicContact CE-CG 4.09Å; M157-L446 HydrophobicContact SD-CD1 4.49Å; M157-L446 HydrophobicContact SD-CD2 4.45Å
158	E	87.7	Confident	88.2	Confident	14 Å²	14	22.9 Å²	22.9	7%	0.065	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.1	174.7	-73.7	-62	149	0	0	113.9	I154 E156 A160 H240 S444 L446 F447	I154-E158 HydrophobicContact CG2-CG 4.48Å; I154-E158 PolarHBondContact O-N 3.29Å; E156-E158 VanDerWaalsContact C-N 3.31Å; E156-E158 PolarHBondContact O-N 3.19Å; E158-A160 HydrophobicContact CB-CB 4.46Å; E158-A160 PolarHBondContact O-N 3.48Å; E158-H240 VanDerWaalsContact CB-NE2 3.31Å; E158-H240 WeakPolarHBondContact CB-NE2 3.38Å; E158-H240 WeakPolarHBondContact CG-NE2 3.35Å; E158-H240 IonicContact OE2-NE2 3.92Å; E158-S444 VanDerWaalsContact CD-OG 3.27Å; E158-S444 WeakPolarHBondContact OE1-CB 3.34Å; E158-S444 PolarHBondContact OE1-OG 3.29Å; E158-L446 HydrophobicContact CG-CD1 4.15Å; E158-F447 HydrophobicContact CG-CE2 4.33Å; E158-F447 VanDerWaalsContact OE1-CD2 3.22Å; E158-F447 WeakPolarHBondContact OE1-CD2 3.39Å; E158-F447 VanDerWaalsContact OE1-CE2 3.31Å; E158-F447 WeakPolarHBondContact OE1-CE2 3.33Å
159	R	84.6	Confident	87.6	Confident	201 Å²	201	23.7 Å²	23.7	76%	0.758	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	39.3	-169	-59.1	-179.5	173.7	-178.5	-1.4	112	S155 E156 M157 S161 F191	S155-R159 PolarHBondContact O-N 2.91Å; E156-R159 PolarHBondContact O-N 2.88Å; E156-R159 VanDerWaalsContact O-N 3.09Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.42Å; R159-S161 PolarHBondContact O-N 2.94Å; R159-S161 VanDerWaalsContact O-N 3.13Å; R159-F191 VanDerWaalsContact CA-CZ 3.47Å; R159-F191 HydrophobicContact CB-CE2 4.31Å; R159-F191 HydrophobicContact CB-CZ 4.2Å
160	A	84	Confident	86.8	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.137	C	C	.	.			trans	-68.3	107.2	177.7	0	0	0	0	0	109.7	S155 E158 H162 F191 T193 H240	S155-A160 PolarHBondContact O-N 3.29Å; E158-A160 HydrophobicContact CB-CB 4.46Å; E158-A160 PolarHBondContact O-N 3.48Å; A160-H162 VanDerWaalsContact C-N 3.32Å; A160-F191 WeakPolarHBondContact O-CZ 3.2Å; A160-T193 HydrophobicContact CB-CG2 4.32Å; A160-T193 VanDerWaalsContact O-CB 3.28Å; A160-T193 WeakPolarHBondContact O-CB 2.92Å; A160-T193 WeakPolarHBondContact O-CG2 2.84Å; A160-T193 PolarHBondContact O-OG1 3.45Å; A160-H240 HydrophobicContact CB-CB 4.38Å; A160-H240 WeakPolarHBondContact CB-ND1 3.34Å
161	S	82.8	Confident	86.3	Confident	30 Å²	30	29.2 Å²	29.2	21%	0.21	14%	0.142	C	C	.	.	S	Bend	trans	-66.3	-40.6	177.6	65.5	0	0	0	0	110.9	R159 D194	R159-S161 PolarHBondContact O-N 2.94Å; R159-S161 VanDerWaalsContact O-N 3.13Å; S161-D194 PolarHBondContact O-N 2.91Å
162	H	85.3	Confident	85.9	Confident	53 Å²	53	31 Å²	31	25%	0.245	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.1	-178.5	-67.3	64.3	0	0	0	110.4	A160 D194 S236 T239	A160-H162 VanDerWaalsContact C-N 3.32Å; H162-D194 WeakPolarHBondContact CA-O 3.47Å; H162-D194 IonicContact NE2-OD2 2.77Å; H162-S236 VanDerWaalsContact CD2-CB 3.43Å; H162-S236 WeakPolarHBondContact CD2-CB 3.3Å; H162-S236 WeakPolarHBondContact CE1-CB 3.29Å; H162-S236 WeakPolarHBondContact ND1-CA 3.4Å; H162-S236 WeakPolarHBondContact ND1-CB 3.17Å; H162-S236 WeakPolarHBondContact NE2-CB 3.37Å; H162-T239 PolarHBondContact O-N 3.02Å; H162-T239 PolarHBondContact O-OG1 2.93Å
163	A	88	Confident	85.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.1	178.1	0	0	0	0	0	111.4	T193 D194 F195 S196 H240 F242	A163-T193 HydrophobicContact CB-CG2 3.72Å; A163-D194 PolarHBondContact N-O 3.35Å; A163-F195 HydrophobicContact CB-CD1 3.76Å; A163-F195 HydrophobicContact CB-CE1 3.72Å; A163-F195 WeakPolarHBondContact O-CA 3.17Å; A163-S196 PolarHBondContact O-N 3.48Å; A163-S196 PolarHBondContact O-OG 3.25Å; A163-H240 WeakPolarHBondContact CA-O 3.26Å; A163-H240 HydrophobicContact CB-CB 4.2Å; A163-F242 HydrophobicContact CB-CD2 3.89Å; A163-F242 HydrophobicContact CB-CE2 3.58Å
164	L	88.1	Confident	85.5	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128	175.2	178.2	73.5	0	0	0	109.7	S196 Q198 F220 L238 H240 I241 F242	L164-S196 CarbonylContact C-O 3.56Å; L164-S196 WeakPolarHBondContact CA-O 3.41Å; L164-S196 VanDerWaalsContact CD1-OG 3.22Å; L164-S196 WeakPolarHBondContact CD1-OG 3.48Å; L164-Q198 HydrophobicContact CD1-CB 4.01Å; L164-F220 HydrophobicContact CD2-CE1 4.24Å; L164-F220 HydrophobicContact CD2-CE2 3.64Å; L164-F220 HydrophobicContact CD2-CZ 3.2Å; L164-L238 HydrophobicContact CB-CD1 3.67Å; L164-L238 HydrophobicContact CB-CD2 4.33Å; L164-L238 HydrophobicContact CD2-CD2 4.5Å; L164-H240 PolarHBondContact N-O 3.03Å; L164-I241 CarbonylContact O-C 3.24Å; L164-I241 WeakPolarHBondContact O-CA 3.44Å; L164-F242 PolarHBondContact O-N 3.37Å
165	L	87.5	Confident	85.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.7	168.7	-54.8	-179.8	0	0	0	108.2	I174 I177 F195 S196 T197 Q198 F242 I244	L165-I174 HydrophobicContact CD1-CG1 4.35Å; L165-I177 HydrophobicContact CD1-CB 4.23Å; L165-I177 HydrophobicContact CD1-CD1 3.76Å; L165-I177 HydrophobicContact CD1-CG2 4.09Å; L165-I177 HydrophobicContact CD2-CD1 3.73Å; L165-I177 HydrophobicContact CG-CD1 4.42Å; L165-F195 HydrophobicContact CD1-CB 4.25Å; L165-F195 HydrophobicContact CD1-CD1 4.11Å; L165-F195 HydrophobicContact CD1-CG 4.46Å; L165-F195 HydrophobicContact CD2-CD1 3.51Å; L165-F195 HydrophobicContact CD2-CE1 3.81Å; L165-F195 HydrophobicContact CG-CB 4.37Å; L165-F195 HydrophobicContact CG-CD1 3.73Å; L165-F195 HydrophobicContact CG-CG 4.44Å; L165-S196 PolarHBondContact N-O 3.43Å; L165-T197 HydrophobicContact CB-CG2 3.86Å; L165-T197 HydrophobicContact CD1-CG2 3.81Å; L165-T197 HydrophobicContact CG-CG2 4.3Å; L165-T197 CarbonylContact O-C 3.54Å; L165-T197 WeakPolarHBondContact O-CA 3.44Å; L165-Q198 PolarHBondContact O-N 2.94Å; L165-F242 HydrophobicContact CD2-CB 3.74Å; L165-F242 HydrophobicContact CD2-CD2 4.02Å; L165-F242 HydrophobicContact CD2-CG 4.11Å; L165-I244 HydrophobicContact CB-CD1 4.23Å; L165-I244 HydrophobicContact CD2-CD1 4.31Å
166	L	86.4	Confident	85.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.3	177.9	-176.6	69.6	0	0	0	109	Q198 F200 L217 F220 I241 F242 F243 I244 W269	L166-Q198 WeakPolarHBondContact CA-O 3.41Å; L166-Q198 HydrophobicContact CD1-CB 4.18Å; L166-Q198 HydrophobicContact CD1-CG 4.28Å; L166-F200 HydrophobicContact CD1-CB 4.42Å; L166-F200 HydrophobicContact CD1-CD1 3.48Å; L166-F200 VanDerWaalsContact CD1-CD1 3.48Å; L166-F200 HydrophobicContact CD1-CE1 4.12Å; L166-F200 HydrophobicContact CD1-CG 4.23Å; L166-F200 HydrophobicContact CD2-CD1 4.2Å; L166-F200 HydrophobicContact CD2-CE1 4.1Å; L166-F200 HydrophobicContact CG-CD1 3.51Å; L166-F200 HydrophobicContact CG-CE1 3.59Å; L166-L217 HydrophobicContact CD2-CD1 3.95Å; L166-F220 HydrophobicContact CD1-CD1 4.04Å; L166-F220 HydrophobicContact CD1-CE1 4.06Å; L166-F220 HydrophobicContact CD1-CG 4.3Å; L166-F220 HydrophobicContact CD1-CZ 4.35Å; L166-F220 HydrophobicContact CD2-CD1 3.85Å; L166-F220 HydrophobicContact CD2-CE1 3.7Å; L166-F220 HydrophobicContact CG-CE1 4.44Å; L166-I241 HydrophobicContact CB-CG2 4.19Å; L166-F242 PolarHBondContact N-O 3.49Å; L166-F243 HydrophobicContact CD2-CD2 3.94Å; L166-F243 HydrophobicContact CD2-CE2 4.23Å; L166-F243 WeakPolarHBondContact O-CA 3.44Å; L166-I244 PolarHBondContact O-N 3.49Å; L166-W269 HydrophobicContact CD2-CZ3 4.39Å
167	A	84.9	Confident	85.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.9	-177	0	0	0	0	0	113.2	G169 T171 I174 Q198 L199 F200 I244	A167-G169 VanDerWaalsContact C-N 3.3Å; A167-G169 PolarHBondContact O-N 2.94Å; A167-T171 HydrophobicContact CB-CG2 4.41Å; A167-I174 HydrophobicContact CB-CD1 3.81Å; A167-Q198 PolarHBondContact N-O 3.37Å; A167-L199 HydrophobicContact CB-CD2 3.95Å; A167-L199 CarbonylContact O-C 3.53Å; A167-L199 VanDerWaalsContact O-CA 3.3Å; A167-L199 WeakPolarHBondContact O-CA 3.44Å; A167-F200 WeakPolarHBondContact O-CD1 3.49Å; A167-F200 PolarHBondContact O-N 3.31Å; A167-I244 WeakPolarHBondContact CA-O 3.45Å; A167-I244 HydrophobicContact CB-CB 4.04Å
168	D	79.8	Confident	85.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.181	C	C	.	.	S	Bend	trans	-89.3	8.9	-178.6	75.3	-24.9	0	0	0	114.2	F200 I244 H245 T246 K247	D168-F200 CarbonylContact C-O 3.56Å; D168-F200 WeakPolarHBondContact CA-O 3.35Å; D168-F200 HydrophobicContact CB-CD1 4.5Å; D168-F200 HydrophobicContact CB-CE1 3.84Å; D168-F200 HydrophobicContact CB-CE2 3.91Å; D168-F200 HydrophobicContact CB-CZ 3.51Å; D168-I244 PolarHBondContact N-O 3.23Å; D168-H245 IonicContact OD2-CE1 3.94Å; D168-H245 PolarHBondContact OD2-CE1 3.15Å; D168-H245 IonicContact OD2-ND1 2.72Å; D168-H245 PolarHBondContact OD2-ND1 3.36Å; D168-T246 WeakPolarHBondContact OD1-CA 3.39Å; D168-T246 VanDerWaalsContact OD1-CB 3.26Å; D168-T246 WeakPolarHBondContact OD1-CB 3.46Å; D168-T246 PolarHBondContact OD1-N 3.3Å; D168-T246 PolarHBondContact OD1-OG1 2.93Å; D168-K247 VanDerWaalsContact O-CE 3.26Å; D168-K247 WeakPolarHBondContact O-CE 3.22Å; D168-K247 PolarHBondContact O-NZ 3.26Å; D168-K247 VanDerWaalsContact OD2-CB 3.26Å; D168-K247 WeakPolarHBondContact OD2-CB 3.41Å; D168-K247 PolarHBondContact OD2-N 3.27Å; D168-K247 VanDerWaalsContact OD2-N 3.12Å
169	G	77.1	Confident	85.6	Confident	16 Å²	16	37.2 Å²	37.2	17%	0.165	19%	0.193	C	C	.	.	S	Bend	trans	175.8	-172.5	-177.4	0	0	0	0	0	112.9	A167 T246	A167-G169 VanDerWaalsContact C-N 3.3Å; A167-G169 PolarHBondContact O-N 2.94Å; G169-T246 VanDerWaalsContact CA-OG1 3.29Å; G169-T246 WeakPolarHBondContact CA-OG1 3.21Å; G169-T246 PolarHBondContact N-OG1 2.8Å
170	L	77.7	Confident	85.9	Confident	150 Å²	150	28.7 Å²	28.7	79%	0.785	16%	0.162	S	C	*	.			trans	-78.3	134.2	177.7	-63.5	173.7	0	0	0	110.2	L199	L170-L199 HydrophobicContact CD2-CD1 4.49Å
171	T	81.5	Confident	86.2	Confident	17 Å²	17	29.6 Å²	29.6	10%	0.104	17%	0.168	C	C	.	.			trans	-145.2	143.5	-178.1	172.3	0	0	0	0	110.6	A167 I173 I174 P175 I244 T246	A167-T171 HydrophobicContact CB-CG2 4.41Å; T171-I173 HydrophobicContact CG2-CB 4.4Å; T171-I173 PolarHBondContact O-N 3.27Å; T171-I173 WeakPolarHBondContact OG1-CB 3.21Å; T171-I173 WeakPolarHBondContact OG1-CG1 3.36Å; T171-I173 PolarHBondContact OG1-N 2.99Å; T171-I173 VanDerWaalsContact OG1-N 3.15Å; T171-I174 HydrophobicContact CG2-CB 4.31Å; T171-I174 HydrophobicContact CG2-CD1 3.6Å; T171-I174 HydrophobicContact CG2-CG1 3.7Å; T171-P175 WeakPolarHBondContact O-CD 3.32Å; T171-I244 HydrophobicContact CG2-CG2 3.82Å; T171-T246 HydrophobicContact CG2-CG2 4.23Å
172	A	83.6	Confident	86.5	Confident	39 Å²	39	33 Å²	33	32%	0.322	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.7	174	0	0	0	0	0	113.3	P144 G176	P144-A172 HydrophobicContact CB-CB 3.74Å; P144-A172 HydrophobicContact CG-CB 4.17Å; A172-G176 PolarHBondContact O-N 3.25Å
173	I	87.6	Confident	86.7	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-43.6	176.2	-60.9	170.3	0	0	0	110.4	P144 M147 A148 L151 T171 G176 I177 I244	P144-I173 HydrophobicContact CB-CG1 3.88Å; M147-I173 HydrophobicContact CB-CD1 4.26Å; M147-I173 HydrophobicContact CB-CG1 4.35Å; M147-I173 HydrophobicContact CG-CD1 3.83Å; M147-I173 HydrophobicContact CG-CG1 4.35Å; M147-I173 HydrophobicContact CG-CG2 4.47Å; A148-I173 HydrophobicContact CB-CG2 4.16Å; L151-I173 HydrophobicContact CD1-CG2 3.8Å; T171-I173 HydrophobicContact CG2-CB 4.4Å; T171-I173 PolarHBondContact O-N 3.27Å; T171-I173 WeakPolarHBondContact OG1-CB 3.21Å; T171-I173 WeakPolarHBondContact OG1-CG1 3.36Å; T171-I173 PolarHBondContact OG1-N 2.99Å; T171-I173 VanDerWaalsContact OG1-N 3.15Å; I173-G176 PolarHBondContact O-N 3.44Å; I173-I177 HydrophobicContact CG2-CD1 3.95Å; I173-I177 HydrophobicContact CG2-CG1 4.37Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.38Å; I173-I244 HydrophobicContact CB-CD1 4.5Å; I173-I244 HydrophobicContact CD1-CG2 3.82Å; I173-I244 HydrophobicContact CG2-CD1 3.99Å
174	I	87.9	Confident	86.7	Confident	22 Å²	22	39.1 Å²	39.1	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-53.6	-176.1	-70.8	167.9	0	0	0	111.9	L165 A167 T171 G176 I177 Y178 T197 L199 I244	L165-I174 HydrophobicContact CD1-CG1 4.35Å; A167-I174 HydrophobicContact CB-CD1 3.81Å; T171-I174 HydrophobicContact CG2-CB 4.31Å; T171-I174 HydrophobicContact CG2-CD1 3.6Å; T171-I174 HydrophobicContact CG2-CG1 3.7Å; I174-G176 PolarHBondContact O-N 2.9Å; I174-I177 PolarHBondContact O-N 3.42Å; I174-Y178 HydrophobicContact CG2-CD2 3.86Å; I174-Y178 HydrophobicContact CG2-CE2 3.73Å; I174-Y178 WeakPolarHBondContact O-CD2 3.24Å; I174-Y178 PolarHBondContact O-N 3Å; I174-Y178 VanDerWaalsContact O-N 3.13Å; I174-T197 HydrophobicContact CD1-CG2 4.33Å; I174-T197 HydrophobicContact CG1-CG2 4.29Å; I174-T197 HydrophobicContact CG2-CG2 3.57Å; I174-L199 HydrophobicContact CD1-CD2 4.36Å; I174-I244 HydrophobicContact CG1-CD1 4.01Å
175	P	89.5	Confident	86.7	Confident	80 Å²	80	44.4 Å²	44.4	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-57	-38.4	173.8	-25.3	33.7	0	0	0	112.9	T171 I177 Y178 D179	T171-P175 WeakPolarHBondContact O-CD 3.32Å; P175-I177 PolarHBondContact O-N 3.41Å; P175-Y178 PolarHBondContact O-N 3.27Å; P175-D179 PolarHBondContact O-N 3.14Å
176	G	89	Confident	86.8	Confident	6 Å²	6	50.3 Å²	50.3	6%	0.062	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-43.7	176.4	0	0	0	0	0	113	A172 I173 I174 L180	A172-G176 PolarHBondContact O-N 3.25Å; I173-G176 PolarHBondContact O-N 3.44Å; I174-G176 PolarHBondContact O-N 2.9Å; G176-L180 WeakPolarHBondContact O-CB 3.26Å; G176-L180 VanDerWaalsContact O-CG 3.26Å; G176-L180 WeakPolarHBondContact O-CG 3.22Å; G176-L180 PolarHBondContact O-N 3.07Å
177	I	90.6	Very high	86.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-42.8	176.5	-66.5	175.4	0	0	0	110.8	A148 L151 L165 I173 I174 P175 L180 T181 F195	A148-I177 HydrophobicContact CB-CG1 3.55Å; L151-I177 HydrophobicContact CB-CD1 4.25Å; L151-I177 HydrophobicContact CD1-CD1 4.01Å; L165-I177 HydrophobicContact CD1-CB 4.23Å; L165-I177 HydrophobicContact CD1-CD1 3.76Å; L165-I177 HydrophobicContact CD1-CG2 4.09Å; L165-I177 HydrophobicContact CD2-CD1 3.73Å; L165-I177 HydrophobicContact CG-CD1 4.42Å; I173-I177 HydrophobicContact CG2-CD1 3.95Å; I173-I177 HydrophobicContact CG2-CG1 4.37Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.38Å; I174-I177 PolarHBondContact O-N 3.42Å; P175-I177 PolarHBondContact O-N 3.41Å; I177-L180 PolarHBondContact O-N 2.87Å; I177-T181 HydrophobicContact CG2-CG2 4.01Å; I177-T181 WeakPolarHBondContact O-CB 3.46Å; I177-T181 WeakPolarHBondContact O-CG2 3.1Å; I177-T181 PolarHBondContact O-N 2.82Å; I177-T181 PolarHBondContact O-OG1 3.17Å; I177-F195 HydrophobicContact CG2-CB 4.37Å; I177-F195 HydrophobicContact CG2-CD1 4.1Å; I177-F195 HydrophobicContact CG2-CD2 3.7Å; I177-F195 HydrophobicContact CG2-CE1 4.23Å; I177-F195 HydrophobicContact CG2-CE2 3.84Å; I177-F195 HydrophobicContact CG2-CG 3.8Å; I177-F195 HydrophobicContact CG2-CZ 4.09Å
178	Y	90.9	Very high	86.8	Confident	89 Å²	89	62.9 Å²	62.9	35%	0.349	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-41.3	178.8	-80.7	-59.5	0	0	0	113.3	I174 P175 T181 L182 F195 T197	I174-Y178 HydrophobicContact CG2-CD2 3.86Å; I174-Y178 HydrophobicContact CG2-CE2 3.73Å; I174-Y178 WeakPolarHBondContact O-CD2 3.24Å; I174-Y178 PolarHBondContact O-N 3Å; I174-Y178 VanDerWaalsContact O-N 3.13Å; P175-Y178 PolarHBondContact O-N 3.27Å; Y178-T181 WeakPolarHBondContact CA-OG1 3.49Å; Y178-T181 PolarHBondContact O-OG1 2.77Å; Y178-L182 VanDerWaalsContact O-CB 3.28Å; Y178-L182 WeakPolarHBondContact O-CB 3.1Å; Y178-L182 PolarHBondContact O-N 3.11Å; Y178-F195 WeakPolarHBondContact CE1-O 2.97Å; Y178-F195 PolarHBondContact OH-O 2.92Å; Y178-T197 HydrophobicContact CE2-CG2 3.58Å; Y178-T197 WeakPolarHBondContact OH-CG2 3.48Å; Y178-T197 PolarHBondContact OH-OG1 3.06Å
179	D	91.6	Very high	86.7	Confident	62 Å²	62	67.7 Å²	67.7	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-47.2	174.8	-177	15.6	0	0	0	110.8	P175 T181 L182 R183	P175-D179 PolarHBondContact O-N 3.14Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-L182 PolarHBondContact O-N 3.17Å; D179-R183 VanDerWaalsContact O-CG 3.3Å; D179-R183 WeakPolarHBondContact O-CG 3.39Å; D179-R183 PolarHBondContact O-N 3.47Å; D179-R183 IonicContact OD1-CZ 3.29Å; D179-R183 IonicContact OD1-NE 2.66Å; D179-R183 PolarHBondContact OD1-NE 3.02Å; D179-R183 IonicContact OD1-NH2 2.73Å; D179-R183 PolarHBondContact OD1-NH2 3.48Å; D179-R183 IonicContact OD2-CZ 3.24Å; D179-R183 IonicContact OD2-NE 3.09Å; D179-R183 PolarHBondContact OD2-NE 3.09Å; D179-R183 IonicContact OD2-NH2 2.72Å; D179-R183 PolarHBondContact OD2-NH2 3.43Å
180	L	90.5	Very high	86.6	Confident	21 Å²	21	79.3 Å²	79.3	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-42.8	179	-70.4	173	0	0	0	112.8	F145 A148 K149 L152 G176 I177 R183 R184	F145-L180 HydrophobicContact CE1-CD2 4.23Å; F145-L180 HydrophobicContact CE2-CD1 4.45Å; F145-L180 HydrophobicContact CE2-CD2 4.3Å; F145-L180 HydrophobicContact CE2-CG 4.12Å; F145-L180 HydrophobicContact CZ-CD1 4.25Å; F145-L180 HydrophobicContact CZ-CD2 3.6Å; F145-L180 HydrophobicContact CZ-CG 3.91Å; A148-L180 HydrophobicContact CB-CD1 4.33Å; K149-L180 HydrophobicContact CB-CD1 3.88Å; K149-L180 HydrophobicContact CG-CD1 4.49Å; L152-L180 HydrophobicContact CD2-CB 3.68Å; L152-L180 HydrophobicContact CD2-CD1 4.32Å; G176-L180 WeakPolarHBondContact O-CB 3.26Å; G176-L180 VanDerWaalsContact O-CG 3.26Å; G176-L180 WeakPolarHBondContact O-CG 3.22Å; G176-L180 PolarHBondContact O-N 3.07Å; I177-L180 PolarHBondContact O-N 2.87Å; L180-R183 PolarHBondContact O-N 2.85Å; L180-R184 VanDerWaalsContact O-CG 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.17Å; L180-R184 PolarHBondContact O-N 2.91Å
181	T	89.2	Confident	86.7	Confident	21 Å²	21	75.8 Å²	75.8	13%	0.129	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-40.3	178.6	52.8	0	0	0	0	111.7	L152 I177 Y178 D179 R183 R184 K185 F195	L152-T181 HydrophobicContact CD1-CG2 3.84Å; I177-T181 HydrophobicContact CG2-CG2 4.01Å; I177-T181 WeakPolarHBondContact O-CB 3.46Å; I177-T181 WeakPolarHBondContact O-CG2 3.1Å; I177-T181 PolarHBondContact O-N 2.82Å; I177-T181 PolarHBondContact O-OG1 3.17Å; Y178-T181 WeakPolarHBondContact CA-OG1 3.49Å; Y178-T181 PolarHBondContact O-OG1 2.77Å; D179-T181 PolarHBondContact O-N 2.94Å; T181-R183 PolarHBondContact O-N 3.35Å; T181-R184 PolarHBondContact O-N 3.22Å; T181-K185 PolarHBondContact O-N 3.28Å; T181-F195 HydrophobicContact CG2-CD2 3.43Å; T181-F195 VanDerWaalsContact CG2-CD2 3.43Å; T181-F195 HydrophobicContact CG2-CE2 3.58Å
182	L	90.1	Very high	86.7	Confident	100 Å²	100	80.1 Å²	80.1	52%	0.524	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-43.8	173.9	-175.9	65.1	0	0	0	111.4	Y178 D179 R184 K185 I186	Y178-L182 VanDerWaalsContact O-CB 3.28Å; Y178-L182 WeakPolarHBondContact O-CB 3.1Å; Y178-L182 PolarHBondContact O-N 3.11Å; D179-L182 PolarHBondContact O-N 3.17Å; L182-R184 PolarHBondContact O-N 2.93Å; L182-K185 WeakPolarHBondContact O-CB 3.44Å; L182-K185 PolarHBondContact O-N 3.16Å; L182-I186 HydrophobicContact CG-CD1 4.06Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 2.83Å
183	R	90.2	Very high	86.7	Confident	124 Å²	124	78.3 Å²	78.3	47%	0.468	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-45.5	174.6	-70.2	174.6	-165.5	-161.4	2.7	111.8	D179 L180 T181 K185 I186 E187	D179-R183 VanDerWaalsContact O-CG 3.3Å; D179-R183 WeakPolarHBondContact O-CG 3.39Å; D179-R183 PolarHBondContact O-N 3.47Å; D179-R183 IonicContact OD1-CZ 3.29Å; D179-R183 IonicContact OD1-NE 2.66Å; D179-R183 PolarHBondContact OD1-NE 3.02Å; D179-R183 IonicContact OD1-NH2 2.73Å; D179-R183 PolarHBondContact OD1-NH2 3.48Å; D179-R183 IonicContact OD2-CZ 3.24Å; D179-R183 IonicContact OD2-NE 3.09Å; D179-R183 PolarHBondContact OD2-NE 3.09Å; D179-R183 IonicContact OD2-NH2 2.72Å; D179-R183 PolarHBondContact OD2-NH2 3.43Å; L180-R183 PolarHBondContact O-N 2.85Å; T181-R183 PolarHBondContact O-N 3.35Å; R183-K185 VanDerWaalsContact C-N 3.27Å; R183-K185 PolarHBondContact O-N 2.91Å; R183-I186 PolarHBondContact O-N 3.26Å; R183-E187 WeakPolarHBondContact O-CG 3.49Å; R183-E187 PolarHBondContact O-N 2.7Å
184	R	88	Confident	86.6	Confident	58 Å²	58	82.2 Å²	82.2	22%	0.219	38%	0.38	C	S	.	.	H	α-helix	trans	-60.8	-35.9	176.9	-68	-67.8	179.9	114.2	-1.5	112.6	L152 E156 L180 T181 L182 N188 K189	L152-R184 HydrophobicContact CD2-CG 4.42Å; E156-R184 IonicContact OE1-CZ 3.66Å; E156-R184 IonicContact OE1-NH1 3.35Å; E156-R184 PolarHBondContact OE1-NH1 2.84Å; E156-R184 IonicContact OE2-CZ 3.88Å; E156-R184 IonicContact OE2-NH1 2.69Å; E156-R184 PolarHBondContact OE2-NH1 3.25Å; E156-R184 IonicContact OE2-NH2 3.25Å; L180-R184 VanDerWaalsContact O-CG 3.31Å; L180-R184 WeakPolarHBondContact O-CG 3.17Å; L180-R184 PolarHBondContact O-N 2.91Å; T181-R184 PolarHBondContact O-N 3.22Å; L182-R184 PolarHBondContact O-N 2.93Å; R184-N188 PolarHBondContact O-N 3.14Å; R184-K189 HydrophobicContact CB-CG 4.49Å; R184-K189 PolarHBondContact O-N 2.72Å
185	K	86.1	Confident	86.5	Confident	121 Å²	121	81.5 Å²	81.5	53%	0.526	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-43.4	174.9	-170.9	176.5	-177.7	176.6	0	112	T181 L182 R183 E187 N188	T181-K185 PolarHBondContact O-N 3.28Å; L182-K185 WeakPolarHBondContact O-CB 3.44Å; L182-K185 PolarHBondContact O-N 3.16Å; R183-K185 VanDerWaalsContact C-N 3.27Å; R183-K185 PolarHBondContact O-N 2.91Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.94Å; K185-N188 PolarHBondContact O-N 3.46Å
186	I	90.1	Very high	86.3	Confident	125 Å²	125	80.4 Å²	80.4	64%	0.641	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-38.2	176.2	-67.4	165.2	0	0	0	111	L182 R183 N188	L182-I186 HydrophobicContact CG-CD1 4.06Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 2.83Å; R183-I186 PolarHBondContact O-N 3.26Å; I186-N188 PolarHBondContact O-N 3.25Å
187	E	89	Confident	86	Confident	117 Å²	117	83.1 Å²	83.1	55%	0.547	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-0.6	176.8	-72.3	178.2	-172.2	0	0	114.3	R183 K185 K189	R183-E187 WeakPolarHBondContact O-CG 3.49Å; R183-E187 PolarHBondContact O-N 2.7Å; K185-E187 VanDerWaalsContact C-N 3.32Å; K185-E187 PolarHBondContact O-N 2.94Å; E187-K189 VanDerWaalsContact C-N 3.26Å; E187-K189 HydrophobicContact CB-CG 4.24Å; E187-K189 PolarHBondContact O-N 3.39Å; E187-K189 WeakPolarHBondContact OE2-CE 3.49Å; E187-K189 IonicContact OE2-NZ 2.73Å
188	N	82.3	Confident	85.6	Confident	147 Å²	147	85.2 Å²	85.2	79%	0.786	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.1	-175.9	-78.1	-24.4	0	0	0	113.3	R184 K185 I186	R184-N188 PolarHBondContact O-N 3.14Å; K185-N188 PolarHBondContact O-N 3.46Å; I186-N188 PolarHBondContact O-N 3.25Å
189	K	78.1	Confident	85.1	Confident	101 Å²	101	83.7 Å²	83.7	44%	0.439	39%	0.393	S	S	.	.			trans	-61.6	141.9	173.4	-68.3	-73	-176.1	178.9	0	110.3	R184 E187 F191	R184-K189 HydrophobicContact CB-CG 4.49Å; R184-K189 PolarHBondContact O-N 2.72Å; E187-K189 VanDerWaalsContact C-N 3.26Å; E187-K189 HydrophobicContact CB-CG 4.24Å; E187-K189 PolarHBondContact O-N 3.39Å; E187-K189 WeakPolarHBondContact OE2-CE 3.49Å; E187-K189 IonicContact OE2-NZ 2.73Å; K189-F191 PolarHBondContact O-N 3.23Å; K189-F191 VanDerWaalsContact O-N 3.11Å
190	R	75.3	Confident	84.5	Confident	261 Å²	261	81 Å²	81	99%	0.985	38%	0.378	S	S	*	.	S	Bend	trans	-60.5	-23.4	-175.8	-143.4	178.1	-167.1	153.7	2.1	113.5
191	F	79.4	Confident	83.6	Confident	76 Å²	76	80.8 Å²	80.8	33%	0.333	38%	0.379	S	S	.	.			trans	-142.9	137.5	177.3	-179	-92.2	0	0	0	109.2	E156 R159 A160 K189	E156-F191 HydrophobicContact CG-CD1 4.44Å; R159-F191 VanDerWaalsContact CA-CZ 3.47Å; R159-F191 HydrophobicContact CB-CE2 4.31Å; R159-F191 HydrophobicContact CB-CZ 4.2Å; A160-F191 WeakPolarHBondContact O-CZ 3.2Å; K189-F191 PolarHBondContact O-N 3.23Å; K189-F191 VanDerWaalsContact O-N 3.11Å
192	Y	80.8	Confident	82.2	Confident	107 Å²	107	82.1 Å²	82.1	42%	0.42	39%	0.389	S	S	.	.			trans	-145.7	149.3	169.4	63.3	-93.3	0	0	0	108.9
193	T	84.6	Confident	80.7	Confident	2 Å²	2	83 Å²	83	1%	0.012	39%	0.394	C	S	.	.			trans	-91.7	131.4	175.7	-60.9	0	0	0	0	109.9	S155 A160 A163 F195	S155-T193 PolarHBondContact OG-OG1 2.98Å; A160-T193 HydrophobicContact CB-CG2 4.32Å; A160-T193 VanDerWaalsContact O-CB 3.28Å; A160-T193 WeakPolarHBondContact O-CB 2.92Å; A160-T193 WeakPolarHBondContact O-CG2 2.84Å; A160-T193 PolarHBondContact O-OG1 3.45Å; A163-T193 HydrophobicContact CB-CG2 3.72Å; T193-F195 HydrophobicContact CG2-CD2 3.98Å; T193-F195 HydrophobicContact CG2-CE1 4.2Å; T193-F195 HydrophobicContact CG2-CE2 3.61Å; T193-F195 HydrophobicContact CG2-CG 4.46Å; T193-F195 HydrophobicContact CG2-CZ 3.75Å; T193-F195 WeakPolarHBondContact O-CD2 3.4Å
194	D	84.5	Confident	78.8	Confident	87 Å²	87	85.5 Å²	85.5	47%	0.465	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.6	169.9	-161.9	7.8	0	0	0	110.1	S161 H162 A163	S161-D194 PolarHBondContact O-N 2.91Å; H162-D194 WeakPolarHBondContact CA-O 3.47Å; H162-D194 IonicContact NE2-OD2 2.77Å; A163-D194 PolarHBondContact N-O 3.35Å
195	F	86.4	Confident	76.7	Confident	7 Å²	7	87 Å²	87	3%	0.031	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.9	-175.7	-72.9	-89.8	0	0	0	111.2	L152 S155 A163 L165 I177 Y178 T181 T193 F242	L152-F195 HydrophobicContact CD1-CE2 3.69Å; L152-F195 HydrophobicContact CD1-CZ 4.15Å; S155-F195 WeakPolarHBondContact OG-CZ 3.44Å; A163-F195 HydrophobicContact CB-CD1 3.76Å; A163-F195 HydrophobicContact CB-CE1 3.72Å; A163-F195 WeakPolarHBondContact O-CA 3.17Å; L165-F195 HydrophobicContact CD1-CB 4.25Å; L165-F195 HydrophobicContact CD1-CD1 4.11Å; L165-F195 HydrophobicContact CD1-CG 4.46Å; L165-F195 HydrophobicContact CD2-CD1 3.51Å; L165-F195 HydrophobicContact CD2-CE1 3.81Å; L165-F195 HydrophobicContact CG-CB 4.37Å; L165-F195 HydrophobicContact CG-CD1 3.73Å; L165-F195 HydrophobicContact CG-CG 4.44Å; I177-F195 HydrophobicContact CG2-CB 4.37Å; I177-F195 HydrophobicContact CG2-CD1 4.1Å; I177-F195 HydrophobicContact CG2-CD2 3.7Å; I177-F195 HydrophobicContact CG2-CE1 4.23Å; I177-F195 HydrophobicContact CG2-CE2 3.84Å; I177-F195 HydrophobicContact CG2-CG 3.8Å; I177-F195 HydrophobicContact CG2-CZ 4.09Å; Y178-F195 WeakPolarHBondContact CE1-O 2.97Å; Y178-F195 PolarHBondContact OH-O 2.92Å; T181-F195 HydrophobicContact CG2-CD2 3.43Å; T181-F195 VanDerWaalsContact CG2-CD2 3.43Å; T181-F195 HydrophobicContact CG2-CE2 3.58Å; T193-F195 HydrophobicContact CG2-CD2 3.98Å; T193-F195 HydrophobicContact CG2-CE1 4.2Å; T193-F195 HydrophobicContact CG2-CE2 3.61Å; T193-F195 HydrophobicContact CG2-CG 4.46Å; T193-F195 HydrophobicContact CG2-CZ 3.75Å; T193-F195 WeakPolarHBondContact O-CD2 3.4Å; F195-F242 AromaticContact CE1-CD2 3.96Å; F195-F242 HydrophobicContact CE1-CD2 3.96Å; F195-F242 AromaticContact CE1-CE2 3.77Å; F195-F242 HydrophobicContact CE1-CE2 3.77Å; F195-F242 HydrophobicContact CZ-CE2 4.49Å
196	S	84.6	Confident	74.6	Confident	57 Å²	57	88.6 Å²	88.6	40%	0.399	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.7	166.4	53.7	0	0	0	0	109.5	A163 L164 L165	A163-S196 PolarHBondContact O-N 3.48Å; A163-S196 PolarHBondContact O-OG 3.25Å; L164-S196 CarbonylContact C-O 3.56Å; L164-S196 WeakPolarHBondContact CA-O 3.41Å; L164-S196 VanDerWaalsContact CD1-OG 3.22Å; L164-S196 WeakPolarHBondContact CD1-OG 3.48Å; L165-S196 PolarHBondContact N-O 3.43Å
197	T	83.8	Confident	72.2	Confident	62 Å²	62	89.2 Å²	89.2	38%	0.38	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	174.7	51.6	0	0	0	0	111.5	L165 I174 Y178	L165-T197 HydrophobicContact CB-CG2 3.86Å; L165-T197 HydrophobicContact CD1-CG2 3.81Å; L165-T197 HydrophobicContact CG-CG2 4.3Å; L165-T197 CarbonylContact O-C 3.54Å; L165-T197 WeakPolarHBondContact O-CA 3.44Å; I174-T197 HydrophobicContact CD1-CG2 4.33Å; I174-T197 HydrophobicContact CG1-CG2 4.29Å; I174-T197 HydrophobicContact CG2-CG2 3.57Å; Y178-T197 HydrophobicContact CE2-CG2 3.58Å; Y178-T197 WeakPolarHBondContact OH-CG2 3.48Å; Y178-T197 PolarHBondContact OH-OG1 3.06Å
198	Q	82.6	Confident	70	Confident	45 Å²	45	88.5 Å²	88.5	21%	0.21	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.5	170.3	-174.2	160.8	0.9	0	0	110.5	L164 L165 L166 A167 F220	L164-Q198 HydrophobicContact CD1-CB 4.01Å; L165-Q198 PolarHBondContact O-N 2.94Å; L166-Q198 WeakPolarHBondContact CA-O 3.41Å; L166-Q198 HydrophobicContact CD1-CB 4.18Å; L166-Q198 HydrophobicContact CD1-CG 4.28Å; A167-Q198 PolarHBondContact N-O 3.37Å; Q198-F220 VanDerWaalsContact CD-CD2 3.45Å
199	L	80.7	Confident	68.4	Low	57 Å²	57	91.7 Å²	91.7	30%	0.298	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.6	173.9	-60.7	177.9	0	0	0	109.6	A167 L170 I174 F212	A167-L199 HydrophobicContact CB-CD2 3.95Å; A167-L199 CarbonylContact O-C 3.53Å; A167-L199 VanDerWaalsContact O-CA 3.3Å; A167-L199 WeakPolarHBondContact O-CA 3.44Å; L170-L199 HydrophobicContact CD2-CD1 4.49Å; I174-L199 HydrophobicContact CD1-CD2 4.36Å; L199-F212 HydrophobicContact CD1-CD1 4.39Å; L199-F212 HydrophobicContact CD1-CE1 4.08Å; L199-F212 HydrophobicContact CD1-CZ 4.44Å
200	F	77.2	Confident	66.7	Low	5 Å²	5	90.6 Å²	90.6	2%	0.022	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-129.1	163	174.9	74.6	-80.9	0	0	0	111.1	L166 A167 D168 I215 L217 F243 Y253	L166-F200 HydrophobicContact CD1-CB 4.42Å; L166-F200 HydrophobicContact CD1-CD1 3.48Å; L166-F200 VanDerWaalsContact CD1-CD1 3.48Å; L166-F200 HydrophobicContact CD1-CE1 4.12Å; L166-F200 HydrophobicContact CD1-CG 4.23Å; L166-F200 HydrophobicContact CD2-CD1 4.2Å; L166-F200 HydrophobicContact CD2-CE1 4.1Å; L166-F200 HydrophobicContact CG-CD1 3.51Å; L166-F200 HydrophobicContact CG-CE1 3.59Å; A167-F200 WeakPolarHBondContact O-CD1 3.49Å; A167-F200 PolarHBondContact O-N 3.31Å; D168-F200 CarbonylContact C-O 3.56Å; D168-F200 WeakPolarHBondContact CA-O 3.35Å; D168-F200 HydrophobicContact CB-CD1 4.5Å; D168-F200 HydrophobicContact CB-CE1 3.84Å; D168-F200 HydrophobicContact CB-CE2 3.91Å; D168-F200 HydrophobicContact CB-CZ 3.51Å; F200-I215 WeakPolarHBondContact CA-O 3.15Å; F200-I215 WeakPolarHBondContact CB-O 3.44Å; F200-L217 HydrophobicContact CD2-CB 4.03Å; F200-L217 HydrophobicContact CD2-CD1 4.3Å; F200-L217 HydrophobicContact CE2-CB 4.3Å; F200-L217 HydrophobicContact CE2-CD1 4.23Å; F200-F243 AromaticContact CE1-CE2 3.94Å; F200-F243 HydrophobicContact CE1-CE2 3.94Å; F200-F243 HydrophobicContact CE1-CZ 4.13Å; F200-F243 HydrophobicContact CE2-CE2 4.4Å; F200-F243 HydrophobicContact CE2-CZ 4.33Å; F200-F243 HydrophobicContact CZ-CD2 4.49Å; F200-F243 HydrophobicContact CZ-CE1 4.32Å; F200-F243 AromaticContact CZ-CE2 3.49Å; F200-F243 HydrophobicContact CZ-CE2 3.49Å; F200-F243 VanDerWaalsContact CZ-CE2 3.49Å; F200-F243 AromaticContact CZ-CZ 3.4Å; F200-F243 HydrophobicContact CZ-CZ 3.4Å; F200-F243 VanDerWaalsContact CZ-CZ 3.4Å; F200-Y253 HydrophobicContact CE2-CD1 4.05Å; F200-Y253 AromaticContact CE2-CE1 3.73Å; F200-Y253 HydrophobicContact CE2-CE1 3.73Å
201	S	71.8	Confident	65.2	Low	17 Å²	17	84.4 Å²	84.4	12%	0.119	46%	0.461	C	S	.	.			trans	-137	138.7	175.8	178.8	0	0	0	0	110.3	N203 I215	S201-N203 PolarHBondContact OG-O 2.85Å; S201-I215 PolarHBondContact N-O 3.38Å
202	S	61.6	Low	63.6	Low	49 Å²	49	87.4 Å²	87.4	34%	0.343	47%	0.474	S	S	.	.	S	Bend	trans	-64.1	-49.3	173	176.5	0	0	0	0	111.8	Y253	S202-Y253 WeakPolarHBondContact CB-OH 3.45Å
203	N	58.4	Low	62.3	Low	119 Å²	119	88.1 Å²	88.1	64%	0.636	49%	0.494	S	S	*	.	S	Bend	trans	-86.4	131.3	-177.8	-67.1	-6.2	0	0	0	107.8	S201 C205	S201-N203 PolarHBondContact OG-O 2.85Å; N203-C205 PolarHBondContact O-N 2.76Å
204	K	49.5	Very low	61.1	Low	175 Å²	175	89.9 Å²	89.9	76%	0.761	51%	0.513	S	S	*	.			trans	-47.7	114.5	152.4	-76.2	-178.7	176.8	178.6	0	104.9	I206	K204-I206 PolarHBondContact O-N 3.28Å
205	C	42.9	Very low	60.4	Low	89 Å²	89	88.5 Å²	88.5	60%	0.601	51%	0.505	S	S	*	.			trans	-59.2	104.7	177.4	-73.1	0	0	0	0	106.9	N203	N203-C205 PolarHBondContact O-N 2.76Å
206	I	43.7	Very low	59.9	Low	155 Å²	155	89.6 Å²	89.6	80%	0.795	51%	0.512	S	S	*	.			trans	-78.1	-13.8	174	-69.3	174.8	0	0	0	110.2	K204	K204-I206 PolarHBondContact O-N 3.28Å
207	N	38.6	Very low	59.5	Low	139 Å²	139	87 Å²	87	74%	0.743	50%	0.495	S	S	*	.	S	Bend	trans	-114.2	105.9	177.5	-69	-12.6	0	0	0	111.7	F209	N207-F209 PolarHBondContact O-N 3.21Å
208	S	43	Very low	59.2	Low	101 Å²	101	86.3 Å²	86.3	71%	0.706	49%	0.488	S	S	*	.			trans	-46.7	118.8	161.3	50.9	0	0	0	0	111.4
209	F	48.7	Very low	59	Low	214 Å²	214	88.8 Å²	88.8	94%	0.939	50%	0.5	S	S	*	.	S	Bend	trans	-173.2	-12.1	142.1	-99.4	-66	0	0	0	112.6	N207	N207-F209 PolarHBondContact O-N 3.21Å
210	S	43.3	Very low	59.1	Low	79 Å²	79	86.2 Å²	86.2	55%	0.552	49%	0.486	S	S	*	.	S	Bend	trans	-105	118.1	162.9	60.4	0	0	0	0	109.9	F212	S210-F212 PolarHBondContact O-N 3.35Å
211	S	43.7	Very low	59.1	Low	130 Å²	130	86 Å²	86	91%	0.909	49%	0.485	S	S	*	.			trans	-68.2	33.3	177.2	50.7	0	0	0	0	114.3
212	F	46.1	Very low	59.5	Low	140 Å²	140	89.9 Å²	89.9	61%	0.614	50%	0.502	S	S	*	.			trans	-90.6	106.5	170.1	-80.4	-79.6	0	0	0	108.6	L199 S210 G214	L199-F212 HydrophobicContact CD1-CD1 4.39Å; L199-F212 HydrophobicContact CD1-CE1 4.08Å; L199-F212 HydrophobicContact CD1-CZ 4.44Å; S210-F212 PolarHBondContact O-N 3.35Å; F212-G214 PolarHBondContact O-N 3.21Å
213	S	53	Low	60.3	Low	121 Å²	121	89.8 Å²	89.8	85%	0.846	50%	0.499	S	S	*	.			trans	-66.6	77.3	162.3	56.3	0	0	0	0	108.7	I215	S213-I215 PolarHBondContact O-N 3.1Å
214	G	58.5	Low	61.1	Low	40 Å²	40	84.8 Å²	84.8	41%	0.412	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-63.2	118.3	178.4	0	0	0	0	0	110	F212	F212-G214 PolarHBondContact O-N 3.21Å
215	I	70.1	Confident	62.2	Low	58 Å²	58	78 Å²	78	30%	0.297	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-61.7	139.4	166	-88.4	168.8	0	0	0	108.1	F200 S201 S213 Q219 F220	F200-I215 WeakPolarHBondContact CA-O 3.15Å; F200-I215 WeakPolarHBondContact CB-O 3.44Å; S201-I215 PolarHBondContact N-O 3.38Å; S213-I215 PolarHBondContact O-N 3.1Å; I215-Q219 HydrophobicContact CG2-CB 4.01Å; I215-F220 HydrophobicContact CG2-CB 3.64Å
216	T	76.8	Confident	63.3	Low	29 Å²	29	80.4 Å²	80.4	18%	0.178	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-74.7	151.6	171.7	65.8	0	0	0	0	109.9	D218 Q219 F220	T216-D218 PolarHBondContact O-N 3.13Å; T216-D218 VanDerWaalsContact O-N 3.13Å; T216-Q219 WeakPolarHBondContact O-CB 3.14Å; T216-Q219 PolarHBondContact O-N 3.04Å; T216-Q219 VanDerWaalsContact O-N 3.11Å; T216-Q219 WeakPolarHBondContact OG1-CB 3.28Å; T216-Q219 VanDerWaalsContact OG1-CG 3.24Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.2Å; T216-Q219 PolarHBondContact OG1-N 3.48Å; T216-Q219 PolarHBondContact OG1-OE1 3.3Å; T216-F220 PolarHBondContact O-N 3.29Å
217	L	76.2	Confident	64	Low	4 Å²	4	76.3 Å²	76.3	2%	0.021	43%	0.434	C	S	.	.	H	α-helix	trans	-55.1	-34.7	177.9	-175.3	63.8	0	0	0	112.1	L166 F200 F220 I221 Y253 K256 V257	L166-L217 HydrophobicContact CD2-CD1 3.95Å; F200-L217 HydrophobicContact CD2-CB 4.03Å; F200-L217 HydrophobicContact CD2-CD1 4.3Å; F200-L217 HydrophobicContact CE2-CB 4.3Å; F200-L217 HydrophobicContact CE2-CD1 4.23Å; L217-F220 HydrophobicContact CD1-CD1 4.42Å; L217-F220 PolarHBondContact O-N 2.61Å; L217-I221 HydrophobicContact CD1-CD1 4.5Å; L217-I221 HydrophobicContact CG-CD1 4.13Å; L217-I221 VanDerWaalsContact O-CG1 3.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.43Å; L217-I221 PolarHBondContact O-N 3.2Å; L217-Y253 HydrophobicContact CD2-CD1 3.72Å; L217-Y253 HydrophobicContact CD2-CG 4.32Å; L217-K256 HydrophobicContact CD2-CB 4.29Å; L217-K256 HydrophobicContact CD2-CD 4.5Å; L217-V257 HydrophobicContact CD2-CG2 4.28Å
218	D	77.5	Confident	64.7	Low	46 Å²	46	79.5 Å²	79.5	25%	0.246	44%	0.435	C	S	.	.	H	α-helix	trans	-67.9	-44.1	178.5	-61.2	-49.9	0	0	0	112.6	T216 F220 I221 E222 K256 K260	T216-D218 PolarHBondContact O-N 3.13Å; T216-D218 VanDerWaalsContact O-N 3.13Å; D218-F220 VanDerWaalsContact C-N 3.31Å; D218-I221 PolarHBondContact O-N 2.78Å; D218-E222 PolarHBondContact O-N 3.01Å; D218-K256 WeakPolarHBondContact OD1-CD 3.46Å; D218-K256 IonicContact OD1-NZ 2.68Å; D218-K256 IonicContact OD2-NZ 3.04Å; D218-K256 PolarHBondContact OD2-NZ 3.09Å; D218-K260 PolarHBondContact O-NZ 3.33Å; D218-K260 VanDerWaalsContact O-NZ 3.15Å
219	Q	78.8	Confident	64.8	Low	97 Å²	97	79 Å²	79	45%	0.453	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-41	173.8	-77.1	173	-18.4	0	0	110.5	I215 T216 E222 T223	I215-Q219 HydrophobicContact CG2-CB 4.01Å; T216-Q219 WeakPolarHBondContact O-CB 3.14Å; T216-Q219 PolarHBondContact O-N 3.04Å; T216-Q219 VanDerWaalsContact O-N 3.11Å; T216-Q219 WeakPolarHBondContact OG1-CB 3.28Å; T216-Q219 VanDerWaalsContact OG1-CG 3.24Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.2Å; T216-Q219 PolarHBondContact OG1-N 3.48Å; T216-Q219 PolarHBondContact OG1-OE1 3.3Å; Q219-E222 WeakPolarHBondContact O-CB 3.4Å; Q219-E222 PolarHBondContact O-N 3.43Å; Q219-T223 WeakPolarHBondContact O-CG2 3.44Å; Q219-T223 PolarHBondContact O-N 3.19Å
220	F	81.3	Confident	64.5	Low	4 Å²	4	76 Å²	76	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-60.1	-49.5	176.1	175.3	-109.9	0	0	0	111.5	L164 L166 Q198 I215 T216 L217 D218 E222 T223 L224	L164-F220 HydrophobicContact CD2-CE1 4.24Å; L164-F220 HydrophobicContact CD2-CE2 3.64Å; L164-F220 HydrophobicContact CD2-CZ 3.2Å; L166-F220 HydrophobicContact CD1-CD1 4.04Å; L166-F220 HydrophobicContact CD1-CE1 4.06Å; L166-F220 HydrophobicContact CD1-CG 4.3Å; L166-F220 HydrophobicContact CD1-CZ 4.35Å; L166-F220 HydrophobicContact CD2-CD1 3.85Å; L166-F220 HydrophobicContact CD2-CE1 3.7Å; L166-F220 HydrophobicContact CG-CE1 4.44Å; Q198-F220 VanDerWaalsContact CD-CD2 3.45Å; I215-F220 HydrophobicContact CG2-CB 3.64Å; T216-F220 PolarHBondContact O-N 3.29Å; L217-F220 HydrophobicContact CD1-CD1 4.42Å; L217-F220 PolarHBondContact O-N 2.61Å; D218-F220 VanDerWaalsContact C-N 3.31Å; F220-E222 VanDerWaalsContact C-N 3.25Å; F220-E222 PolarHBondContact O-N 3.36Å; F220-T223 PolarHBondContact O-N 3.19Å; F220-T223 VanDerWaalsContact O-N 3.11Å; F220-T223 PolarHBondContact O-OG1 3.22Å; F220-L224 HydrophobicContact CD1-CD1 4.21Å; F220-L224 HydrophobicContact CE1-CD1 3.5Å; F220-L224 VanDerWaalsContact CE1-CD1 3.5Å; F220-L224 HydrophobicContact CE1-CD2 4.49Å; F220-L224 HydrophobicContact CE1-CG 4.02Å; F220-L224 HydrophobicContact CE2-CD1 4.48Å; F220-L224 HydrophobicContact CE2-CD2 4.13Å; F220-L224 HydrophobicContact CE2-CG 4.12Å; F220-L224 HydrophobicContact CZ-CD1 3.64Å; F220-L224 HydrophobicContact CZ-CD2 3.77Å; F220-L224 HydrophobicContact CZ-CG 3.73Å; F220-L224 PolarHBondContact O-N 3.41Å
221	I	78.9	Confident	64.6	Low	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.2	-35	178.3	-62.6	163.8	0	0	0	111.3	L217 D218 L224 G225 V257 K260 I263 T264	L217-I221 HydrophobicContact CD1-CD1 4.5Å; L217-I221 HydrophobicContact CG-CD1 4.13Å; L217-I221 VanDerWaalsContact O-CG1 3.29Å; L217-I221 WeakPolarHBondContact O-CG1 3.43Å; L217-I221 PolarHBondContact O-N 3.2Å; D218-I221 PolarHBondContact O-N 2.78Å; I221-L224 WeakPolarHBondContact O-CB 3.45Å; I221-L224 PolarHBondContact O-N 2.95Å; I221-G225 PolarHBondContact O-N 3.26Å; I221-V257 HydrophobicContact CD1-CG2 4.26Å; I221-K260 HydrophobicContact CB-CD 3.93Å; I221-K260 HydrophobicContact CD1-CD 4.35Å; I221-K260 HydrophobicContact CG2-CB 3.74Å; I221-K260 HydrophobicContact CG2-CD 3.43Å; I221-K260 VanDerWaalsContact CG2-CD 3.43Å; I221-K260 HydrophobicContact CG2-CG 4.21Å; I221-I263 HydrophobicContact CG2-CB 4.4Å; I221-I263 HydrophobicContact CG2-CD1 4.18Å; I221-I263 HydrophobicContact CG2-CG2 4.39Å; I221-T264 HydrophobicContact CG2-CG2 4.27Å
222	E	78.9	Confident	64.3	Low	99 Å²	99	75.5 Å²	75.5	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-44.6	172.7	-81.8	158.1	-152.1	0	0	112.4	D218 Q219 F220 L224 G225 E226 K260	D218-E222 PolarHBondContact O-N 3.01Å; Q219-E222 WeakPolarHBondContact O-CB 3.4Å; Q219-E222 PolarHBondContact O-N 3.43Å; F220-E222 VanDerWaalsContact C-N 3.25Å; F220-E222 PolarHBondContact O-N 3.36Å; E222-L224 VanDerWaalsContact C-N 3.25Å; E222-L224 PolarHBondContact O-N 3.45Å; E222-G225 WeakPolarHBondContact O-CA 3.37Å; E222-G225 PolarHBondContact O-N 3.44Å; E222-E226 PolarHBondContact O-N 3.21Å; E222-K260 IonicContact OE1-NZ 3.32Å; E222-K260 PolarHBondContact OE1-NZ 3.42Å
223	T	77.7	Confident	64	Low	46 Å²	46	76 Å²	76	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-33	176.2	61.5	0	0	0	0	112.8	Q219 F220 G225 E226 N227	Q219-T223 WeakPolarHBondContact O-CG2 3.44Å; Q219-T223 PolarHBondContact O-N 3.19Å; F220-T223 PolarHBondContact O-N 3.19Å; F220-T223 VanDerWaalsContact O-N 3.11Å; F220-T223 PolarHBondContact O-OG1 3.22Å; T223-G225 VanDerWaalsContact C-N 3.26Å; T223-G225 PolarHBondContact O-N 3.16Å; T223-E226 PolarHBondContact O-N 3.49Å; T223-N227 WeakPolarHBondContact O-CB 3.44Å; T223-N227 PolarHBondContact O-N 2.81Å; T223-N227 VanDerWaalsContact O-N 3.15Å; T223-N227 PolarHBondContact O-ND2 2.74Å
224	L	77.2	Confident	63.3	Low	14 Å²	14	74.9 Å²	74.9	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-31.4	172.4	-70.5	178.7	0	0	0	112.3	F220 I221 E222 L238 I241 I263 Y267 W269	F220-L224 HydrophobicContact CD1-CD1 4.21Å; F220-L224 HydrophobicContact CE1-CD1 3.5Å; F220-L224 VanDerWaalsContact CE1-CD1 3.5Å; F220-L224 HydrophobicContact CE1-CD2 4.49Å; F220-L224 HydrophobicContact CE1-CG 4.02Å; F220-L224 HydrophobicContact CE2-CD1 4.48Å; F220-L224 HydrophobicContact CE2-CD2 4.13Å; F220-L224 HydrophobicContact CE2-CG 4.12Å; F220-L224 HydrophobicContact CZ-CD1 3.64Å; F220-L224 HydrophobicContact CZ-CD2 3.77Å; F220-L224 HydrophobicContact CZ-CG 3.73Å; F220-L224 PolarHBondContact O-N 3.41Å; I221-L224 WeakPolarHBondContact O-CB 3.45Å; I221-L224 PolarHBondContact O-N 2.95Å; E222-L224 VanDerWaalsContact C-N 3.25Å; E222-L224 PolarHBondContact O-N 3.45Å; L224-L238 HydrophobicContact CD2-CD2 4.1Å; L224-I241 HydrophobicContact CD1-CD1 3.74Å; L224-I241 HydrophobicContact CD2-CD1 4.49Å; L224-I263 HydrophobicContact CB-CG2 3.97Å; L224-Y267 HydrophobicContact CB-CE2 4.29Å; L224-Y267 HydrophobicContact CD1-CE2 4.34Å; L224-Y267 PolarHBondContact O-OH 3.13Å; L224-W269 HydrophobicContact CD1-CZ2 4.5Å
225	G	71.8	Confident	62.7	Low	32 Å²	32	83.3 Å²	83.3	33%	0.33	42%	0.424	S	S	.	.	H	α-helix	trans	-73.6	-44.9	175.8	0	0	0	0	0	113	I221 E222 T223	I221-G225 PolarHBondContact O-N 3.26Å; E222-G225 WeakPolarHBondContact O-CA 3.37Å; E222-G225 PolarHBondContact O-N 3.44Å; T223-G225 VanDerWaalsContact C-N 3.26Å; T223-G225 PolarHBondContact O-N 3.16Å
226	E	66.8	Low	61.8	Low	141 Å²	141	81.4 Å²	81.4	66%	0.659	42%	0.416	S	S	*	.	H	α-helix	trans	-69.9	-39.7	-176.5	-68.3	-176.9	171.6	0	0	113.3	E222 T223 R228 S229	E222-E226 PolarHBondContact O-N 3.21Å; T223-E226 PolarHBondContact O-N 3.49Å; E226-R228 PolarHBondContact O-N 3.49Å; E226-R228 VanDerWaalsContact O-N 3.1Å; E226-S229 PolarHBondContact O-OG 3.11Å
227	N	56.5	Low	61.2	Low	68 Å²	68	87.2 Å²	87.2	36%	0.364	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-71.5	-4.2	-173.2	-85.9	-25.1	0	0	0	115	T223 S229 K230 I231	T223-N227 WeakPolarHBondContact O-CB 3.44Å; T223-N227 PolarHBondContact O-N 2.81Å; T223-N227 VanDerWaalsContact O-N 3.15Å; T223-N227 PolarHBondContact O-ND2 2.74Å; N227-S229 PolarHBondContact O-N 3.38Å; N227-S229 VanDerWaalsContact O-N 3.1Å; N227-K230 PolarHBondContact O-N 2.65Å; N227-I231 HydrophobicContact CB-CD1 3.62Å; N227-I231 HydrophobicContact CB-CG1 4.02Å; N227-I231 WeakPolarHBondContact O-CG1 3.44Å; N227-I231 PolarHBondContact O-N 2.92Å; N227-I231 VanDerWaalsContact O-N 3.14Å
228	R	53.8	Low	60.7	Low	206 Å²	206	88.9 Å²	88.9	78%	0.777	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-54.2	-30.4	173.5	-162.6	179	-174.7	-174.7	1.2	112.5	E226	E226-R228 PolarHBondContact O-N 3.49Å; E226-R228 VanDerWaalsContact O-N 3.1Å
229	S	44.5	Very low	60.6	Low	92 Å²	92	87.8 Å²	87.8	64%	0.643	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-82.4	-20.2	-179.8	62.1	0	0	0	0	114.8	E226 N227	E226-S229 PolarHBondContact O-OG 3.11Å; N227-S229 PolarHBondContact O-N 3.38Å; N227-S229 VanDerWaalsContact O-N 3.1Å
230	K	42.9	Very low	60.9	Low	151 Å²	151	83.4 Å²	83.4	66%	0.657	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-20.3	-169.4	-74.1	-179.9	-179.7	173.5	0	115.4	N227 T232	N227-K230 PolarHBondContact O-N 2.65Å; K230-T232 PolarHBondContact O-N 3.34Å
231	I	45.3	Very low	61.2	Low	76 Å²	76	83.2 Å²	83.2	39%	0.39	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.8	5.7	-177.3	-68.6	174.3	0	0	0	113.3	N227 I233	N227-I231 HydrophobicContact CB-CD1 3.62Å; N227-I231 HydrophobicContact CB-CG1 4.02Å; N227-I231 WeakPolarHBondContact O-CG1 3.44Å; N227-I231 PolarHBondContact O-N 2.92Å; N227-I231 VanDerWaalsContact O-N 3.14Å; I231-I233 PolarHBondContact O-N 3.37Å
232	T	37.6	Very low	61.5	Low	121 Å²	121	83.2 Å²	83.2	74%	0.742	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.4	-7.7	175.3	-18.1	0	0	0	0	114.7	K230	K230-T232 PolarHBondContact O-N 3.34Å
233	I	39.3	Very low	61.7	Low	152 Å²	152	78.6 Å²	78.6	78%	0.779	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-93.8	-11.9	-163.7	-59.4	177.6	0	0	0	114.4	I231	I231-I233 PolarHBondContact O-N 3.37Å
234	T	39.4	Very low	61.9	Low	96 Å²	96	76.4 Å²	76.4	59%	0.589	38%	0.383	S	S	*	.	S	Bend	trans	-129.6	141	169.1	52.8	0	0	0	0	108.4	S236	T234-S236 VanDerWaalsContact C-OG 3.28Å; T234-S236 VanDerWaalsContact CB-OG 3.3Å; T234-S236 WeakPolarHBondContact CB-OG 3.47Å; T234-S236 PolarHBondContact O-N 3.1Å; T234-S236 PolarHBondContact O-OG 3.24Å; T234-S236 PolarHBondContact OG1-OG 3.24Å
235	K	44.8	Very low	61.9	Low	218 Å²	218	76.1 Å²	76.1	95%	0.948	38%	0.381	S	S	*	.	S	Bend	trans	-66.3	31.4	-169.4	-80	-179.9	171.5	178.1	0	114.7
236	S	51.5	Low	61.8	Low	18 Å²	18	75.9 Å²	75.9	13%	0.126	37%	0.373	C	S	.	.			trans	-139.2	81.7	-157.2	38.4	0	0	0	0	108.6	H162 T234 L238	H162-S236 VanDerWaalsContact CD2-CB 3.43Å; H162-S236 WeakPolarHBondContact CD2-CB 3.3Å; H162-S236 WeakPolarHBondContact CE1-CB 3.29Å; H162-S236 WeakPolarHBondContact ND1-CA 3.4Å; H162-S236 WeakPolarHBondContact ND1-CB 3.17Å; H162-S236 WeakPolarHBondContact NE2-CB 3.37Å; T234-S236 VanDerWaalsContact C-OG 3.28Å; T234-S236 VanDerWaalsContact CB-OG 3.3Å; T234-S236 WeakPolarHBondContact CB-OG 3.47Å; T234-S236 PolarHBondContact O-N 3.1Å; T234-S236 PolarHBondContact O-OG 3.24Å; T234-S236 PolarHBondContact OG1-OG 3.24Å; S236-L238 PolarHBondContact O-N 2.69Å
237	Y	65.7	Low	62	Low	151 Å²	151	73.2 Å²	73.2	59%	0.592	36%	0.36	S	S	*	.			trans	-78.2	119.7	179.1	52.3	-76.1	0	0	0	108.8	T239	Y237-T239 HydrophobicContact CD2-CG2 3.15Å; Y237-T239 HydrophobicContact CE2-CG2 3.28Å; Y237-T239 HydrophobicContact CG-CG2 4.3Å; Y237-T239 PolarHBondContact O-N 3.49Å
238	L	65	Low	62.3	Low	39 Å²	39	71.8 Å²	71.8	20%	0.204	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	122.8	170.9	176.2	65.4	0	0	0	108.6	L164 L224 S236 Y267	L164-L238 HydrophobicContact CB-CD1 3.67Å; L164-L238 HydrophobicContact CB-CD2 4.33Å; L164-L238 HydrophobicContact CD2-CD2 4.5Å; L224-L238 HydrophobicContact CD2-CD2 4.1Å; S236-L238 PolarHBondContact O-N 2.69Å; L238-Y267 HydrophobicContact CD2-CE1 4.23Å; L238-Y267 HydrophobicContact CG-CD1 4.45Å; L238-Y267 HydrophobicContact CG-CE1 4.18Å
239	T	75.6	Confident	62.7	Low	22 Å²	22	62 Å²	62	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-33.7	-176	39.2	0	0	0	0	113.2	H162 Y237 Y267 Y268	H162-T239 PolarHBondContact O-N 3.02Å; H162-T239 PolarHBondContact O-OG1 2.93Å; Y237-T239 HydrophobicContact CD2-CG2 3.15Å; Y237-T239 HydrophobicContact CE2-CG2 3.28Å; Y237-T239 HydrophobicContact CG-CG2 4.3Å; Y237-T239 PolarHBondContact O-N 3.49Å; T239-Y267 WeakPolarHBondContact O-CA 3.32Å; T239-Y268 PolarHBondContact O-N 3.41Å
240	H	85.6	Confident	63.6	Low	6 Å²	6	61.5 Å²	61.5	3%	0.028	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.9	-171.4	-62.8	74.9	0	0	0	110.1	E158 A160 A163 L164 F242 Y268	E158-H240 VanDerWaalsContact CB-NE2 3.31Å; E158-H240 WeakPolarHBondContact CB-NE2 3.38Å; E158-H240 WeakPolarHBondContact CG-NE2 3.35Å; E158-H240 IonicContact OE2-NE2 3.92Å; A160-H240 HydrophobicContact CB-CB 4.38Å; A160-H240 WeakPolarHBondContact CB-ND1 3.34Å; A163-H240 WeakPolarHBondContact CA-O 3.26Å; A163-H240 HydrophobicContact CB-CB 4.2Å; L164-H240 PolarHBondContact N-O 3.03Å; H240-F242 HydrophobicContact CB-CE2 4.1Å; H240-Y268 VanDerWaalsContact CD2-CB 3.41Å; H240-Y268 WeakPolarHBondContact CD2-CB 3.35Å; H240-Y268 AromaticContact CD2-CG 3.72Å; H240-Y268 AromaticContact CE1-CD2 3.93Å; H240-Y268 AromaticContact NE2-CD2 3.59Å; H240-Y268 AromaticContact NE2-CG 3.58Å
241	I	85.8	Confident	64.8	Low	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.4	175.4	-59.3	174.1	0	0	0	107	L164 L166 L224 Y267 Y268 W269 I270	L164-I241 CarbonylContact O-C 3.24Å; L164-I241 WeakPolarHBondContact O-CA 3.44Å; L166-I241 HydrophobicContact CB-CG2 4.19Å; L224-I241 HydrophobicContact CD1-CD1 3.74Å; L224-I241 HydrophobicContact CD2-CD1 4.49Å; I241-Y267 HydrophobicContact CD1-CD1 4.09Å; I241-Y267 HydrophobicContact CD1-CD2 4.17Å; I241-Y267 HydrophobicContact CD1-CG 3.77Å; I241-Y267 HydrophobicContact CG1-CD1 4.41Å; I241-Y267 HydrophobicContact CG1-CG 4.39Å; I241-Y268 PolarHBondContact N-O 3.22Å; I241-W269 HydrophobicContact CB-CD2 4.46Å; I241-W269 HydrophobicContact CB-CE3 4.36Å; I241-W269 HydrophobicContact CD1-CH2 4.06Å; I241-W269 HydrophobicContact CD1-CZ2 3.74Å; I241-W269 HydrophobicContact CG2-CE3 4.01Å; I241-W269 HydrophobicContact CG2-CH2 4.17Å; I241-W269 HydrophobicContact CG2-CZ3 3.8Å; I241-W269 WeakPolarHBondContact O-CA 3.42Å; I241-I270 PolarHBondContact O-N 3.16Å
242	F	85.2	Confident	66.1	Low	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.1	173.1	-65.8	-83.6	0	0	0	108.6	L151 I154 A163 L164 L165 L166 F195 H240 I270	L151-F242 HydrophobicContact CB-CD1 4.38Å; L151-F242 HydrophobicContact CB-CE1 4.29Å; L151-F242 HydrophobicContact CD2-CD1 3.48Å; L151-F242 VanDerWaalsContact CD2-CD1 3.48Å; L151-F242 HydrophobicContact CD2-CE1 3.86Å; L151-F242 HydrophobicContact CD2-CG 4.47Å; L151-F242 HydrophobicContact CG-CD1 4.44Å; I154-F242 HydrophobicContact CG2-CE1 4.19Å; I154-F242 HydrophobicContact CG2-CZ 4.36Å; A163-F242 HydrophobicContact CB-CD2 3.89Å; A163-F242 HydrophobicContact CB-CE2 3.58Å; L164-F242 PolarHBondContact O-N 3.37Å; L165-F242 HydrophobicContact CD2-CB 3.74Å; L165-F242 HydrophobicContact CD2-CD2 4.02Å; L165-F242 HydrophobicContact CD2-CG 4.11Å; L166-F242 PolarHBondContact N-O 3.49Å; F195-F242 AromaticContact CE1-CD2 3.96Å; F195-F242 HydrophobicContact CE1-CD2 3.96Å; F195-F242 AromaticContact CE1-CE2 3.77Å; F195-F242 HydrophobicContact CE1-CE2 3.77Å; F195-F242 HydrophobicContact CZ-CE2 4.49Å; H240-F242 HydrophobicContact CB-CE2 4.1Å; F242-I270 CarbonylContact C-O 3.58Å; F242-I270 VanDerWaalsContact CA-O 3.25Å; F242-I270 WeakPolarHBondContact CA-O 3.46Å; F242-I270 HydrophobicContact CD1-CB 3.59Å; F242-I270 HydrophobicContact CD1-CD1 4Å; F242-I270 HydrophobicContact CD1-CG1 4.41Å; F242-I270 HydrophobicContact CD1-CG2 3.57Å; F242-I270 HydrophobicContact CE1-CB 3.84Å; F242-I270 HydrophobicContact CE1-CD1 3.4Å; F242-I270 VanDerWaalsContact CE1-CD1 3.4Å; F242-I270 HydrophobicContact CE1-CG1 4.21Å; F242-I270 HydrophobicContact CE1-CG2 3.72Å; F242-I270 HydrophobicContact CG-CB 4.48Å; F242-I270 HydrophobicContact CZ-CD1 3.74Å
243	F	84.8	Confident	67.9	Low	1 Å²	1	49.2 Å²	49.2	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.8	176.3	-168.4	-77.4	0	0	0	108.8	L166 F200 H245 W269 I270 F271 D272	L166-F243 HydrophobicContact CD2-CD2 3.94Å; L166-F243 HydrophobicContact CD2-CE2 4.23Å; L166-F243 WeakPolarHBondContact O-CA 3.44Å; F200-F243 AromaticContact CE1-CE2 3.94Å; F200-F243 HydrophobicContact CE1-CE2 3.94Å; F200-F243 HydrophobicContact CE1-CZ 4.13Å; F200-F243 HydrophobicContact CE2-CE2 4.4Å; F200-F243 HydrophobicContact CE2-CZ 4.33Å; F200-F243 HydrophobicContact CZ-CD2 4.49Å; F200-F243 HydrophobicContact CZ-CE1 4.32Å; F200-F243 AromaticContact CZ-CE2 3.49Å; F200-F243 HydrophobicContact CZ-CE2 3.49Å; F200-F243 VanDerWaalsContact CZ-CE2 3.49Å; F200-F243 AromaticContact CZ-CZ 3.4Å; F200-F243 HydrophobicContact CZ-CZ 3.4Å; F200-F243 VanDerWaalsContact CZ-CZ 3.4Å; F243-H245 HydrophobicContact CD1-CB 4.43Å; F243-H245 HydrophobicContact CE1-CB 4.2Å; F243-W269 HydrophobicContact CD2-CZ3 4.45Å; F243-I270 PolarHBondContact N-O 3.33Å; F243-F271 HydrophobicContact CB-CD1 3.45Å; F243-F271 VanDerWaalsContact CB-CD1 3.45Å; F243-F271 HydrophobicContact CB-CE1 3.57Å; F243-F271 HydrophobicContact CB-CG 4.26Å; F243-F271 HydrophobicContact CB-CZ 4.46Å; F243-F271 AromaticContact CD1-CD1 3.63Å; F243-F271 HydrophobicContact CD1-CD1 3.63Å; F243-F271 AromaticContact CD1-CE1 3.82Å; F243-F271 HydrophobicContact CD1-CE1 3.82Å; F243-F271 HydrophobicContact CD2-CD1 4.48Å; F243-F271 AromaticContact CD2-CE1 3.93Å; F243-F271 HydrophobicContact CD2-CE1 3.93Å; F243-F271 HydrophobicContact CE1-CD1 4.47Å; F243-F271 HydrophobicContact CE1-CE1 4.45Å; F243-F271 AromaticContact CG-CD1 3.62Å; F243-F271 HydrophobicContact CG-CD1 3.62Å; F243-F271 AromaticContact CG-CE1 3.5Å; F243-F271 HydrophobicContact CG-CE1 3.5Å; F243-D272 PolarHBondContact O-N 3.16Å; F243-D272 VanDerWaalsContact O-N 3.15Å
244	I	80.9	Confident	69.6	Low	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.3	-179.6	-57.8	168.9	0	0	0	108.6	L165 L166 A167 D168 T171 I173 I174 D272	L165-I244 HydrophobicContact CB-CD1 4.23Å; L165-I244 HydrophobicContact CD2-CD1 4.31Å; L166-I244 PolarHBondContact O-N 3.49Å; A167-I244 WeakPolarHBondContact CA-O 3.45Å; A167-I244 HydrophobicContact CB-CB 4.04Å; D168-I244 PolarHBondContact N-O 3.23Å; T171-I244 HydrophobicContact CG2-CG2 3.82Å; I173-I244 HydrophobicContact CB-CD1 4.5Å; I173-I244 HydrophobicContact CD1-CG2 3.82Å; I173-I244 HydrophobicContact CG2-CD1 3.99Å; I174-I244 HydrophobicContact CG1-CD1 4.01Å; I244-D272 WeakPolarHBondContact CA-OD2 3.3Å
245	H	76.8	Confident	71.4	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.037	19%	0.192	C	C	.	.			trans	-110.2	128	-171.1	-172.5	64.2	0	0	0	111.7	D168 F243 K247 P248 Y249 D272	D168-H245 IonicContact OD2-CE1 3.94Å; D168-H245 PolarHBondContact OD2-CE1 3.15Å; D168-H245 IonicContact OD2-ND1 2.72Å; D168-H245 PolarHBondContact OD2-ND1 3.36Å; F243-H245 HydrophobicContact CD1-CB 4.43Å; F243-H245 HydrophobicContact CE1-CB 4.2Å; H245-K247 PolarHBondContact CD2-O 3.15Å; H245-K247 PolarHBondContact CE1-O 3.25Å; H245-K247 VanDerWaalsContact CE1-O 3.29Å; H245-K247 VanDerWaalsContact NE2-C 3.34Å; H245-K247 PolarHBondContact NE2-O 3.18Å; H245-P248 VanDerWaalsContact CE1-C 3.48Å; H245-P248 PolarHBondContact CE1-O 2.72Å; H245-P248 VanDerWaalsContact NE2-C 3.26Å; H245-Y249 HydrophobicContact CB-CD2 4.23Å; H245-Y249 HydrophobicContact CB-CE2 4.06Å; H245-Y249 AromaticContact CD2-CD2 3.43Å; H245-Y249 VanDerWaalsContact CD2-CD2 3.43Å; H245-Y249 WeakPolarHBondContact CD2-CD2 3.41Å; H245-Y249 VanDerWaalsContact CE1-CA 3.44Å; H245-Y249 WeakPolarHBondContact CE1-CA 3.41Å; H245-Y249 AromaticContact CE1-CD2 4Å; H245-Y249 AromaticContact CG-CD2 3.53Å; H245-Y249 AromaticContact CG-CE2 3.78Å; H245-Y249 AromaticContact ND1-CD2 3.89Å; H245-Y249 VanDerWaalsContact NE2-CA 3.28Å; H245-Y249 WeakPolarHBondContact NE2-CA 3.4Å; H245-Y249 AromaticContact NE2-CD2 3.68Å; H245-Y249 AromaticContact NE2-CG 3.92Å; H245-Y249 PolarHBondContact NE2-N 3.3Å; H245-D272 PolarHBondContact N-OD2 3.04Å
246	T	69.2	Low	73.1	Confident	27 Å²	27	34 Å²	34	17%	0.166	16%	0.16	C	C	.	.			trans	-122.8	-27.5	-174.4	70.1	0	0	0	0	113.2	T123 D168 G169 T171	T123-T246 HydrophobicContact CG2-CG2 4.18Å; D168-T246 WeakPolarHBondContact OD1-CA 3.39Å; D168-T246 VanDerWaalsContact OD1-CB 3.26Å; D168-T246 WeakPolarHBondContact OD1-CB 3.46Å; D168-T246 PolarHBondContact OD1-N 3.3Å; D168-T246 PolarHBondContact OD1-OG1 2.93Å; G169-T246 VanDerWaalsContact CA-OG1 3.29Å; G169-T246 WeakPolarHBondContact CA-OG1 3.21Å; G169-T246 PolarHBondContact N-OG1 2.8Å; T171-T246 HydrophobicContact CG2-CG2 4.23Å
247	K	71.5	Confident	74.3	Confident	86 Å²	86	33.2 Å²	33.2	37%	0.374	15%	0.154	S	C	.	.	S	Bend	trans	-96.8	-166.9	-178	-63.4	-178	176.8	153.8	0	111.2	R121 D168 H245	R121-K247 PolarHBondContact NH1-O 2.84Å; D168-K247 VanDerWaalsContact O-CE 3.26Å; D168-K247 WeakPolarHBondContact O-CE 3.22Å; D168-K247 PolarHBondContact O-NZ 3.26Å; D168-K247 VanDerWaalsContact OD2-CB 3.26Å; D168-K247 WeakPolarHBondContact OD2-CB 3.41Å; D168-K247 PolarHBondContact OD2-N 3.27Å; D168-K247 VanDerWaalsContact OD2-N 3.12Å; H245-K247 PolarHBondContact CD2-O 3.15Å; H245-K247 PolarHBondContact CE1-O 3.25Å; H245-K247 VanDerWaalsContact CE1-O 3.29Å; H245-K247 VanDerWaalsContact NE2-C 3.34Å; H245-K247 PolarHBondContact NE2-O 3.18Å
248	P	62.8	Low	75	Confident	38 Å²	38	26.1 Å²	26.1	25%	0.247	13%	0.126	C	C	.	.			trans	-67.1	138.3	165.5	-16.4	28.5	0	0	0	110.4	V32 R121 H245 H250	V32-P248 HydrophobicContact CG1-CG 4.44Å; R121-P248 VanDerWaalsContact CZ-CA 3.42Å; R121-P248 VanDerWaalsContact NH1-N 3.19Å; R121-P248 VanDerWaalsContact NH2-CA 3.32Å; R121-P248 VanDerWaalsContact NH2-CB 3.28Å; H245-P248 VanDerWaalsContact CE1-C 3.48Å; H245-P248 PolarHBondContact CE1-O 2.72Å; H245-P248 VanDerWaalsContact NE2-C 3.26Å; P248-H250 PolarHBondContact O-N 3.42Å
249	Y	61.7	Low	75.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.			trans	-68.1	99.4	-179.6	-144.2	-65.7	0	0	0	109	Q35 H245 L251 L254 F271 I274 V277	Q35-Y249 PolarHBondContact NE2-O 3.5Å; Q35-Y249 PolarHBondContact OE1-O 3.23Å; H245-Y249 HydrophobicContact CB-CD2 4.23Å; H245-Y249 HydrophobicContact CB-CE2 4.06Å; H245-Y249 AromaticContact CD2-CD2 3.43Å; H245-Y249 VanDerWaalsContact CD2-CD2 3.43Å; H245-Y249 WeakPolarHBondContact CD2-CD2 3.41Å; H245-Y249 VanDerWaalsContact CE1-CA 3.44Å; H245-Y249 WeakPolarHBondContact CE1-CA 3.41Å; H245-Y249 AromaticContact CE1-CD2 4Å; H245-Y249 AromaticContact CG-CD2 3.53Å; H245-Y249 AromaticContact CG-CE2 3.78Å; H245-Y249 AromaticContact ND1-CD2 3.89Å; H245-Y249 VanDerWaalsContact NE2-CA 3.28Å; H245-Y249 WeakPolarHBondContact NE2-CA 3.4Å; H245-Y249 AromaticContact NE2-CD2 3.68Å; H245-Y249 AromaticContact NE2-CG 3.92Å; H245-Y249 PolarHBondContact NE2-N 3.3Å; Y249-L251 PolarHBondContact O-N 3.38Å; Y249-L254 HydrophobicContact CD1-CD1 4.06Å; Y249-L254 HydrophobicContact CE1-CD1 3.18Å; Y249-L254 HydrophobicContact CE1-CD2 4.46Å; Y249-L254 HydrophobicContact CE1-CG 3.48Å; Y249-L254 VanDerWaalsContact CE1-CG 3.48Å; Y249-L254 WeakPolarHBondContact OH-CD2 3.29Å; Y249-L254 WeakPolarHBondContact OH-CG 3.45Å; Y249-F271 WeakPolarHBondContact OH-CD1 3.21Å; Y249-F271 WeakPolarHBondContact OH-CE1 3.41Å; Y249-I274 HydrophobicContact CD2-CG2 4.49Å; Y249-I274 HydrophobicContact CE2-CG1 4.21Å; Y249-I274 HydrophobicContact CE2-CG2 4.42Å; Y249-V277 HydrophobicContact CD1-CG2 3.98Å; Y249-V277 HydrophobicContact CG-CG2 4.11Å
250	H	64.8	Low	75.8	Confident	82 Å²	82	32 Å²	32	38%	0.38	15%	0.15	S	C	.	.			trans	-75.5	113.9	167.7	-76.6	-70	0	0	0	107.4	P248 N252 Y253	P248-H250 PolarHBondContact O-N 3.42Å; H250-N252 HydrophobicContact CB-CB 4.45Å; H250-N252 PolarHBondContact O-N 2.94Å; H250-Y253 HydrophobicContact CB-CD2 3.9Å; H250-Y253 HydrophobicContact CB-CE2 3.97Å; H250-Y253 WeakPolarHBondContact O-CB 3.24Å; H250-Y253 WeakPolarHBondContact O-CD2 3.35Å; H250-Y253 PolarHBondContact O-N 3.22Å
251	L	68	Low	75.2	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-53.4	-20.4	174.8	-168.9	151.3	0	0	0	112.7	Y38 Y249 Y253 R255 V277 D281 F285	Y38-L251 HydrophobicContact CE2-CD1 3.86Å; Y38-L251 WeakPolarHBondContact OH-CD1 3.5Å; Y249-L251 PolarHBondContact O-N 3.38Å; L251-Y253 VanDerWaalsContact C-N 3.34Å; L251-Y253 PolarHBondContact O-N 3.44Å; L251-R255 WeakPolarHBondContact O-CB 3.44Å; L251-R255 PolarHBondContact O-N 3.28Å; L251-V277 HydrophobicContact CD1-CG1 3.87Å; L251-D281 HydrophobicContact CD1-CB 4.44Å; L251-F285 HydrophobicContact CD1-CE2 3.92Å; L251-F285 HydrophobicContact CD2-CD2 3.85Å; L251-F285 HydrophobicContact CD2-CE1 4.11Å; L251-F285 HydrophobicContact CD2-CE2 3.03Å; L251-F285 HydrophobicContact CD2-CZ 3.2Å; L251-F285 HydrophobicContact CG-CD2 4.44Å; L251-F285 HydrophobicContact CG-CE2 3.75Å; L251-F285 HydrophobicContact CG-CZ 4.34Å
252	N	72.3	Confident	74.6	Confident	77 Å²	77	38.5 Å²	38.5	41%	0.412	19%	0.186	S	C	.	.	H	α-helix	trans	-60.4	-31.3	168.8	-69.7	-10.1	0	0	0	114.5	H250 K256	H250-N252 HydrophobicContact CB-CB 4.45Å; H250-N252 PolarHBondContact O-N 2.94Å; N252-K256 WeakPolarHBondContact O-CB 3.48Å; N252-K256 WeakPolarHBondContact O-CG 3.34Å; N252-K256 PolarHBondContact O-N 3.42Å
253	Y	74.6	Confident	74.1	Confident	7 Å²	7	40.5 Å²	40.5	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-51.8	178.4	-65.1	-52.9	0	0	0	111.3	F200 S202 L217 H250 L251 R255 K256 V257	F200-Y253 HydrophobicContact CE2-CD1 4.05Å; F200-Y253 AromaticContact CE2-CE1 3.73Å; F200-Y253 HydrophobicContact CE2-CE1 3.73Å; S202-Y253 WeakPolarHBondContact CB-OH 3.45Å; L217-Y253 HydrophobicContact CD2-CD1 3.72Å; L217-Y253 HydrophobicContact CD2-CG 4.32Å; H250-Y253 HydrophobicContact CB-CD2 3.9Å; H250-Y253 HydrophobicContact CB-CE2 3.97Å; H250-Y253 WeakPolarHBondContact O-CB 3.24Å; H250-Y253 WeakPolarHBondContact O-CD2 3.35Å; H250-Y253 PolarHBondContact O-N 3.22Å; L251-Y253 VanDerWaalsContact C-N 3.34Å; L251-Y253 PolarHBondContact O-N 3.44Å; Y253-R255 VanDerWaalsContact C-N 3.32Å; Y253-R255 PolarHBondContact O-N 2.91Å; Y253-K256 PolarHBondContact O-N 3.39Å; Y253-V257 WeakPolarHBondContact O-CG2 3.37Å; Y253-V257 PolarHBondContact O-N 3.5Å; Y253-V257 VanDerWaalsContact O-N 3.08Å
254	L	74.9	Confident	73.6	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-48	175.3	-78.2	163.5	0	0	0	110	Y249 K256 V257 F258 F271 L282	Y249-L254 HydrophobicContact CD1-CD1 4.06Å; Y249-L254 HydrophobicContact CE1-CD1 3.18Å; Y249-L254 HydrophobicContact CE1-CD2 4.46Å; Y249-L254 HydrophobicContact CE1-CG 3.48Å; Y249-L254 VanDerWaalsContact CE1-CG 3.48Å; Y249-L254 WeakPolarHBondContact OH-CD2 3.29Å; Y249-L254 WeakPolarHBondContact OH-CG 3.45Å; L254-K256 VanDerWaalsContact C-N 3.33Å; L254-K256 PolarHBondContact O-N 2.93Å; L254-V257 WeakPolarHBondContact O-CB 3.49Å; L254-V257 PolarHBondContact O-N 3.17Å; L254-V257 VanDerWaalsContact O-N 3.09Å; L254-F258 HydrophobicContact CB-CD2 4.23Å; L254-F258 HydrophobicContact CB-CE2 4.02Å; L254-F258 HydrophobicContact CD2-CE2 3.88Å; L254-F258 WeakPolarHBondContact O-CD2 3.07Å; L254-F258 PolarHBondContact O-N 3.22Å; L254-F271 HydrophobicContact CD2-CD1 4.23Å; L254-F271 HydrophobicContact CD2-CE1 3.5Å; L254-F271 HydrophobicContact CD2-CE2 3.89Å; L254-F271 HydrophobicContact CD2-CZ 3.31Å; L254-L282 HydrophobicContact CB-CD1 4.47Å; L254-L282 HydrophobicContact CD1-CD1 4.11Å; L254-L282 HydrophobicContact CD2-CD1 4.28Å
255	R	79	Confident	73.4	Confident	85 Å²	85	45.3 Å²	45.3	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-53.3	-48.2	176.7	-171.5	-176.6	-61	171.9	3.1	112.1	L251 Y253 V257 F258 E259 F285	L251-R255 WeakPolarHBondContact O-CB 3.44Å; L251-R255 PolarHBondContact O-N 3.28Å; Y253-R255 VanDerWaalsContact C-N 3.32Å; Y253-R255 PolarHBondContact O-N 2.91Å; R255-V257 VanDerWaalsContact C-N 3.33Å; R255-V257 PolarHBondContact O-N 3.41Å; R255-F258 PolarHBondContact O-N 2.93Å; R255-F258 VanDerWaalsContact O-N 3.17Å; R255-E259 VanDerWaalsContact CD-OE1 3.27Å; R255-E259 WeakPolarHBondContact CD-OE1 3.49Å; R255-E259 HydrophobicContact CG-CG 4.11Å; R255-E259 VanDerWaalsContact CG-OE1 3.26Å; R255-E259 WeakPolarHBondContact CG-OE1 3.5Å; R255-E259 WeakPolarHBondContact O-CB 3.48Å; R255-E259 VanDerWaalsContact O-CG 3.31Å; R255-E259 WeakPolarHBondContact O-CG 3.35Å; R255-E259 PolarHBondContact O-N 3.14Å; R255-F285 HydrophobicContact CG-CD1 4.32Å; R255-F285 VanDerWaalsContact NE-CE1 3.32Å
256	K	78.6	Confident	73.4	Confident	60 Å²	60	48.8 Å²	48.8	26%	0.261	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-39.7	177.8	-76.8	173.8	174.2	-156	0	113	L217 D218 N252 Y253 L254 K260	L217-K256 HydrophobicContact CD2-CB 4.29Å; L217-K256 HydrophobicContact CD2-CD 4.5Å; D218-K256 WeakPolarHBondContact OD1-CD 3.46Å; D218-K256 IonicContact OD1-NZ 2.68Å; D218-K256 IonicContact OD2-NZ 3.04Å; D218-K256 PolarHBondContact OD2-NZ 3.09Å; N252-K256 WeakPolarHBondContact O-CB 3.48Å; N252-K256 WeakPolarHBondContact O-CG 3.34Å; N252-K256 PolarHBondContact O-N 3.42Å; Y253-K256 PolarHBondContact O-N 3.39Å; L254-K256 VanDerWaalsContact C-N 3.33Å; L254-K256 PolarHBondContact O-N 2.93Å; K256-K260 PolarHBondContact O-N 3.17Å
257	V	78.4	Confident	74.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-41	175.8	174.2	0	0	0	0	111.1	L217 I221 Y253 L254 R255 T264 W269	L217-V257 HydrophobicContact CD2-CG2 4.28Å; I221-V257 HydrophobicContact CD1-CG2 4.26Å; Y253-V257 WeakPolarHBondContact O-CG2 3.37Å; Y253-V257 PolarHBondContact O-N 3.5Å; Y253-V257 VanDerWaalsContact O-N 3.08Å; L254-V257 WeakPolarHBondContact O-CB 3.49Å; L254-V257 PolarHBondContact O-N 3.17Å; L254-V257 VanDerWaalsContact O-N 3.09Å; R255-V257 VanDerWaalsContact C-N 3.33Å; R255-V257 PolarHBondContact O-N 3.41Å; V257-T264 HydrophobicContact CG1-CG2 4.15Å; V257-T264 WeakPolarHBondContact O-CG2 3.43Å; V257-T264 PolarHBondContact O-OG1 2.94Å; V257-T264 VanDerWaalsContact O-OG1 3.12Å; V257-W269 HydrophobicContact CG1-CD2 3.88Å; V257-W269 HydrophobicContact CG1-CE3 3.92Å; V257-W269 HydrophobicContact CG1-CH2 4.01Å; V257-W269 HydrophobicContact CG1-CZ2 3.98Å; V257-W269 HydrophobicContact CG1-CZ3 3.99Å; V257-W269 HydrophobicContact CG2-CH2 4.13Å; V257-W269 HydrophobicContact CG2-CZ3 3.99Å
258	F	79.3	Confident	74.9	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-75	-36.7	178.5	-69.5	-63.1	0	0	0	113.7	L254 R255 K260 S261 L282 I286 A291 M294 V296	L254-F258 HydrophobicContact CB-CD2 4.23Å; L254-F258 HydrophobicContact CB-CE2 4.02Å; L254-F258 HydrophobicContact CD2-CE2 3.88Å; L254-F258 WeakPolarHBondContact O-CD2 3.07Å; L254-F258 PolarHBondContact O-N 3.22Å; R255-F258 PolarHBondContact O-N 2.93Å; R255-F258 VanDerWaalsContact O-N 3.17Å; F258-K260 VanDerWaalsContact C-N 3.34Å; F258-K260 PolarHBondContact O-N 2.91Å; F258-S261 WeakPolarHBondContact O-CB 3.44Å; F258-S261 PolarHBondContact O-N 2.67Å; F258-L282 HydrophobicContact CD2-CD1 4.24Å; F258-L282 HydrophobicContact CE2-CD1 3.33Å; F258-L282 HydrophobicContact CZ-CD1 3.84Å; F258-I286 HydrophobicContact CD1-CG1 3.95Å; F258-I286 HydrophobicContact CD2-CG1 4.34Å; F258-I286 HydrophobicContact CE1-CD1 4.01Å; F258-I286 HydrophobicContact CE1-CG1 3.62Å; F258-I286 HydrophobicContact CE2-CD1 4.47Å; F258-I286 HydrophobicContact CE2-CG1 4.08Å; F258-I286 HydrophobicContact CG-CG1 4.33Å; F258-I286 HydrophobicContact CZ-CD1 3.84Å; F258-I286 HydrophobicContact CZ-CG1 3.71Å; F258-A291 HydrophobicContact CD1-CB 4.28Å; F258-M294 HydrophobicContact CD1-CE 4.02Å; F258-M294 HydrophobicContact CD1-SD 3.43Å; F258-M294 WeakPolarHBondContact CD1-SD 2.99Å; F258-M294 HydrophobicContact CE1-SD 3.66Å; F258-V296 HydrophobicContact CE1-CG2 3.86Å; F258-V296 HydrophobicContact CZ-CG1 4.47Å; F258-V296 HydrophobicContact CZ-CG2 4.12Å
259	E	80.8	Confident	76.2	Confident	132 Å²	132	43.5 Å²	43.5	62%	0.617	21%	0.206	S	C	*	.	H	α-helix	trans	-61.7	-40	177.2	-79.8	173.8	179.3	0	0	111.7	R255 S261	R255-E259 VanDerWaalsContact CD-OE1 3.27Å; R255-E259 WeakPolarHBondContact CD-OE1 3.49Å; R255-E259 HydrophobicContact CG-CG 4.11Å; R255-E259 VanDerWaalsContact CG-OE1 3.26Å; R255-E259 WeakPolarHBondContact CG-OE1 3.5Å; R255-E259 WeakPolarHBondContact O-CB 3.48Å; R255-E259 VanDerWaalsContact O-CG 3.31Å; R255-E259 WeakPolarHBondContact O-CG 3.35Å; R255-E259 PolarHBondContact O-N 3.14Å; E259-S261 PolarHBondContact O-N 2.94Å; E259-S261 VanDerWaalsContact O-N 3.12Å
260	K	77.8	Confident	77.6	Confident	53 Å²	53	43.5 Å²	43.5	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	40.7	176.7	-67.7	-169.9	175.8	-172.5	0	112.9	D218 I221 E222 K256 F258 N262 I263 T264	D218-K260 PolarHBondContact O-NZ 3.33Å; D218-K260 VanDerWaalsContact O-NZ 3.15Å; I221-K260 HydrophobicContact CB-CD 3.93Å; I221-K260 HydrophobicContact CD1-CD 4.35Å; I221-K260 HydrophobicContact CG2-CB 3.74Å; I221-K260 HydrophobicContact CG2-CD 3.43Å; I221-K260 VanDerWaalsContact CG2-CD 3.43Å; I221-K260 HydrophobicContact CG2-CG 4.21Å; E222-K260 IonicContact OE1-NZ 3.32Å; E222-K260 PolarHBondContact OE1-NZ 3.42Å; K256-K260 PolarHBondContact O-N 3.17Å; F258-K260 VanDerWaalsContact C-N 3.34Å; F258-K260 PolarHBondContact O-N 2.91Å; K260-N262 PolarHBondContact O-N 3.05Å; K260-N262 VanDerWaalsContact O-N 3.07Å; K260-I263 PolarHBondContact O-N 2.9Å; K260-I263 VanDerWaalsContact O-N 3.12Å; K260-T264 PolarHBondContact O-N 3.03Å; K260-T264 PolarHBondContact O-OG1 2.95Å
261	S	71.7	Confident	78.9	Confident	16 Å²	16	39.7 Å²	39.7	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-30.9	-169.8	66.8	0	0	0	0	116	F258 E259 I263 T264 K265	F258-S261 WeakPolarHBondContact O-CB 3.44Å; F258-S261 PolarHBondContact O-N 2.67Å; E259-S261 PolarHBondContact O-N 2.94Å; E259-S261 VanDerWaalsContact O-N 3.12Å; S261-I263 PolarHBondContact O-N 2.9Å; S261-T264 VanDerWaalsContact CA-OG1 3.31Å; S261-T264 WeakPolarHBondContact CA-OG1 3.46Å; S261-T264 PolarHBondContact O-N 3.16Å; S261-K265 WeakPolarHBondContact O-CB 3.37Å; S261-K265 PolarHBondContact O-N 2.81Å
262	N	73.5	Confident	79.8	Confident	125 Å²	125	39.5 Å²	39.5	67%	0.668	19%	0.188	S	C	*	.	H	α-helix	trans	-59.9	-33.5	-179.7	-74.4	-19.2	0	0	0	113.4	K260 K265	K260-N262 PolarHBondContact O-N 3.05Å; K260-N262 VanDerWaalsContact O-N 3.07Å; N262-K265 WeakPolarHBondContact O-CE 3.28Å
263	I	74.5	Confident	80.5	Confident	43 Å²	43	36.2 Å²	36.2	22%	0.221	17%	0.17	C	C	.	.	H	α-helix	trans	-88.4	-43.6	178.3	-59.1	170.7	0	0	0	109.6	I221 L224 K260 S261 K265	I221-I263 HydrophobicContact CG2-CB 4.4Å; I221-I263 HydrophobicContact CG2-CD1 4.18Å; I221-I263 HydrophobicContact CG2-CG2 4.39Å; L224-I263 HydrophobicContact CB-CG2 3.97Å; K260-I263 PolarHBondContact O-N 2.9Å; K260-I263 VanDerWaalsContact O-N 3.12Å; S261-I263 PolarHBondContact O-N 2.9Å; I263-K265 PolarHBondContact O-N 2.86Å
264	T	75.2	Confident	81	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-75.6	-23.7	-168.9	55.8	0	0	0	0	114	I221 V257 K260 S261 N266 Y267 W269 M294	I221-T264 HydrophobicContact CG2-CG2 4.27Å; V257-T264 HydrophobicContact CG1-CG2 4.15Å; V257-T264 WeakPolarHBondContact O-CG2 3.43Å; V257-T264 PolarHBondContact O-OG1 2.94Å; V257-T264 VanDerWaalsContact O-OG1 3.12Å; K260-T264 PolarHBondContact O-N 3.03Å; K260-T264 PolarHBondContact O-OG1 2.95Å; S261-T264 VanDerWaalsContact CA-OG1 3.31Å; S261-T264 WeakPolarHBondContact CA-OG1 3.46Å; S261-T264 PolarHBondContact O-N 3.16Å; T264-N266 PolarHBondContact O-N 2.86Å; T264-N266 VanDerWaalsContact O-N 3.07Å; T264-Y267 PolarHBondContact O-N 2.81Å; T264-Y267 VanDerWaalsContact O-N 3.14Å; T264-W269 HydrophobicContact CG2-CZ2 3.68Å; T264-W269 PolarHBondContact O-NE1 3.43Å; T264-W269 VanDerWaalsContact O-NE1 3.16Å; T264-M294 WeakPolarHBondContact OG1-CE 3.34Å
265	K	75.2	Confident	81.3	Confident	101 Å²	101	36 Å²	36	44%	0.439	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.8	176.1	70.1	-177.3	-177.7	-178.5	0	115.3	S261 N262 I263 Y267	S261-K265 WeakPolarHBondContact O-CB 3.37Å; S261-K265 PolarHBondContact O-N 2.81Å; N262-K265 WeakPolarHBondContact O-CE 3.28Å; I263-K265 PolarHBondContact O-N 2.86Å; K265-Y267 VanDerWaalsContact C-N 3.31Å
266	N	76.9	Confident	81.4	Confident	81 Å²	81	32.1 Å²	32.1	43%	0.433	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.8	-177.1	-61.5	-31.7	0	0	0	112.9	T264	T264-N266 PolarHBondContact O-N 2.86Å; T264-N266 VanDerWaalsContact O-N 3.07Å
267	Y	84.7	Confident	81.6	Confident	27 Å²	27	29.4 Å²	29.4	11%	0.106	14%	0.144	C	C	.	.	S	Bend	trans	-113.5	150.3	-175	-56.1	-80.7	0	0	0	110.7	L224 L238 T239 I241 T264 K265	L224-Y267 HydrophobicContact CB-CE2 4.29Å; L224-Y267 HydrophobicContact CD1-CE2 4.34Å; L224-Y267 PolarHBondContact O-OH 3.13Å; L238-Y267 HydrophobicContact CD2-CE1 4.23Å; L238-Y267 HydrophobicContact CG-CD1 4.45Å; L238-Y267 HydrophobicContact CG-CE1 4.18Å; T239-Y267 WeakPolarHBondContact O-CA 3.32Å; I241-Y267 HydrophobicContact CD1-CD1 4.09Å; I241-Y267 HydrophobicContact CD1-CD2 4.17Å; I241-Y267 HydrophobicContact CD1-CG 3.77Å; I241-Y267 HydrophobicContact CG1-CD1 4.41Å; I241-Y267 HydrophobicContact CG1-CG 4.39Å; T264-Y267 PolarHBondContact O-N 2.81Å; T264-Y267 VanDerWaalsContact O-N 3.14Å; K265-Y267 VanDerWaalsContact C-N 3.31Å
268	Y	88.3	Confident	82.1	Confident	12 Å²	12	29.5 Å²	29.5	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.7	167.7	-68	-104.4	0	0	0	108.4	T239 H240 I241 K295 E443 F447 V450	T239-Y268 PolarHBondContact O-N 3.41Å; H240-Y268 VanDerWaalsContact CD2-CB 3.41Å; H240-Y268 WeakPolarHBondContact CD2-CB 3.35Å; H240-Y268 AromaticContact CD2-CG 3.72Å; H240-Y268 AromaticContact CE1-CD2 3.93Å; H240-Y268 AromaticContact NE2-CD2 3.59Å; H240-Y268 AromaticContact NE2-CG 3.58Å; I241-Y268 PolarHBondContact N-O 3.22Å; Y268-K295 HydrophobicContact CD1-CB 3.75Å; Y268-K295 HydrophobicContact CD1-CD 3.78Å; Y268-K295 HydrophobicContact CD1-CG 4.23Å; Y268-K295 HydrophobicContact CD2-CD 4.03Å; Y268-K295 HydrophobicContact CE1-CB 4.24Å; Y268-K295 HydrophobicContact CE1-CD 3.56Å; Y268-K295 HydrophobicContact CE1-CG 4.21Å; Y268-K295 HydrophobicContact CE2-CD 3.77Å; Y268-K295 HydrophobicContact CG-CB 4.12Å; Y268-K295 HydrophobicContact CG-CD 4.03Å; Y268-K295 VanDerWaalsContact CZ-NZ 3.31Å; Y268-K295 PolarHBondContact OH-NZ 3.19Å; Y268-E443 PolarHBondContact OH-OE2 3.49Å; Y268-F447 HydrophobicContact CD1-CD1 4.28Å; Y268-F447 AromaticContact CD1-CD2 3.53Å; Y268-F447 HydrophobicContact CD1-CD2 3.53Å; Y268-F447 HydrophobicContact CD1-CE1 4.19Å; Y268-F447 AromaticContact CD1-CE2 3.46Å; Y268-F447 HydrophobicContact CD1-CE2 3.46Å; Y268-F447 VanDerWaalsContact CD1-CE2 3.46Å; Y268-F447 AromaticContact CD1-CG 3.96Å; Y268-F447 HydrophobicContact CD1-CG 3.96Å; Y268-F447 AromaticContact CD1-CZ 3.79Å; Y268-F447 HydrophobicContact CD1-CZ 3.79Å; Y268-F447 AromaticContact CE1-CD2 3.69Å; Y268-F447 HydrophobicContact CE1-CD2 3.69Å; Y268-F447 HydrophobicContact CE1-CE2 4.05Å; Y268-F447 HydrophobicContact CE1-CG 4.11Å; Y268-F447 HydrophobicContact CG-CE2 4.44Å; Y268-V450 HydrophobicContact CE1-CG1 4.46Å
269	W	89.9	Confident	82.5	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.8	178	-71.3	82.1	0	0	0	109.5	L166 L224 I241 F243 V257 T264 F271 K295 V296 G297	L166-W269 HydrophobicContact CD2-CZ3 4.39Å; L224-W269 HydrophobicContact CD1-CZ2 4.5Å; I241-W269 HydrophobicContact CB-CD2 4.46Å; I241-W269 HydrophobicContact CB-CE3 4.36Å; I241-W269 HydrophobicContact CD1-CH2 4.06Å; I241-W269 HydrophobicContact CD1-CZ2 3.74Å; I241-W269 HydrophobicContact CG2-CE3 4.01Å; I241-W269 HydrophobicContact CG2-CH2 4.17Å; I241-W269 HydrophobicContact CG2-CZ3 3.8Å; I241-W269 WeakPolarHBondContact O-CA 3.42Å; F243-W269 HydrophobicContact CD2-CZ3 4.45Å; V257-W269 HydrophobicContact CG1-CD2 3.88Å; V257-W269 HydrophobicContact CG1-CE3 3.92Å; V257-W269 HydrophobicContact CG1-CH2 4.01Å; V257-W269 HydrophobicContact CG1-CZ2 3.98Å; V257-W269 HydrophobicContact CG1-CZ3 3.99Å; V257-W269 HydrophobicContact CG2-CH2 4.13Å; V257-W269 HydrophobicContact CG2-CZ3 3.99Å; T264-W269 HydrophobicContact CG2-CZ2 3.68Å; T264-W269 PolarHBondContact O-NE1 3.43Å; T264-W269 VanDerWaalsContact O-NE1 3.16Å; W269-F271 HydrophobicContact CB-CE2 4.12Å; W269-F271 HydrophobicContact CE3-CZ 4.35Å; W269-K295 PolarHBondContact N-O 2.91Å; W269-V296 HydrophobicContact CB-CG2 4.31Å; W269-V296 CarbonylContact O-C 3.54Å; W269-V296 WeakPolarHBondContact O-CA 3.39Å; W269-G297 PolarHBondContact O-N 3.24Å
270	I	92.1	Very high	82.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.3	-179.7	-64.5	155.4	0	0	0	107.8	L151 I154 I241 F242 F243 G297 F299 F403 F447	L151-I270 HydrophobicContact CD2-CG2 4.1Å; I154-I270 HydrophobicContact CG2-CD1 3.66Å; I241-I270 PolarHBondContact O-N 3.16Å; F242-I270 CarbonylContact C-O 3.58Å; F242-I270 VanDerWaalsContact CA-O 3.25Å; F242-I270 WeakPolarHBondContact CA-O 3.46Å; F242-I270 HydrophobicContact CD1-CB 3.59Å; F242-I270 HydrophobicContact CD1-CD1 4Å; F242-I270 HydrophobicContact CD1-CG1 4.41Å; F242-I270 HydrophobicContact CD1-CG2 3.57Å; F242-I270 HydrophobicContact CE1-CB 3.84Å; F242-I270 HydrophobicContact CE1-CD1 3.4Å; F242-I270 VanDerWaalsContact CE1-CD1 3.4Å; F242-I270 HydrophobicContact CE1-CG1 4.21Å; F242-I270 HydrophobicContact CE1-CG2 3.72Å; F242-I270 HydrophobicContact CG-CB 4.48Å; F242-I270 HydrophobicContact CZ-CD1 3.74Å; F243-I270 PolarHBondContact N-O 3.33Å; I270-G297 CarbonylContact C-O 3.58Å; I270-G297 WeakPolarHBondContact CA-O 3.08Å; I270-F299 HydrophobicContact CG2-CE2 4.44Å; I270-F403 HydrophobicContact CG2-CE2 4.07Å; I270-F447 HydrophobicContact CD1-CE2 4.5Å; I270-F447 HydrophobicContact CD1-CZ 4Å; I270-F447 HydrophobicContact CG1-CE1 4.44Å; I270-F447 HydrophobicContact CG1-CZ 3.65Å
271	F	90.7	Very high	83.1	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.9	173.1	-59.9	-89.6	0	0	0	109.2	F243 Y249 L254 W269 I274 V296 G297 F298 F299	F243-F271 HydrophobicContact CB-CD1 3.45Å; F243-F271 VanDerWaalsContact CB-CD1 3.45Å; F243-F271 HydrophobicContact CB-CE1 3.57Å; F243-F271 HydrophobicContact CB-CG 4.26Å; F243-F271 HydrophobicContact CB-CZ 4.46Å; F243-F271 AromaticContact CD1-CD1 3.63Å; F243-F271 HydrophobicContact CD1-CD1 3.63Å; F243-F271 AromaticContact CD1-CE1 3.82Å; F243-F271 HydrophobicContact CD1-CE1 3.82Å; F243-F271 HydrophobicContact CD2-CD1 4.48Å; F243-F271 AromaticContact CD2-CE1 3.93Å; F243-F271 HydrophobicContact CD2-CE1 3.93Å; F243-F271 HydrophobicContact CE1-CD1 4.47Å; F243-F271 HydrophobicContact CE1-CE1 4.45Å; F243-F271 AromaticContact CG-CD1 3.62Å; F243-F271 HydrophobicContact CG-CD1 3.62Å; F243-F271 AromaticContact CG-CE1 3.5Å; F243-F271 HydrophobicContact CG-CE1 3.5Å; Y249-F271 WeakPolarHBondContact OH-CD1 3.21Å; Y249-F271 WeakPolarHBondContact OH-CE1 3.41Å; L254-F271 HydrophobicContact CD2-CD1 4.23Å; L254-F271 HydrophobicContact CD2-CE1 3.5Å; L254-F271 HydrophobicContact CD2-CE2 3.89Å; L254-F271 HydrophobicContact CD2-CZ 3.31Å; W269-F271 HydrophobicContact CB-CE2 4.12Å; W269-F271 HydrophobicContact CE3-CZ 4.35Å; F271-I274 HydrophobicContact CB-CD1 4.33Å; F271-I274 HydrophobicContact CB-CG1 4.3Å; F271-I274 HydrophobicContact CG-CD1 4.4Å; F271-V296 HydrophobicContact CD2-CG1 4.05Å; F271-V296 HydrophobicContact CE2-CG1 3.79Å; F271-G297 PolarHBondContact N-O 2.89Å; F271-F298 HydrophobicContact CB-CB 3.84Å; F271-F298 WeakPolarHBondContact O-CA 3.43Å; F271-F299 PolarHBondContact O-N 2.77Å
272	D	88.7	Confident	83.7	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.011	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-78.4	171	54.4	-8.1	0	0	0	110.5	M147 F243 I244 H245 F299	M147-D272 HydrophobicContact CE-CB 4.28Å; M147-D272 HydrophobicContact CG-CB 4.31Å; M147-D272 HydrophobicContact SD-CB 4.16Å; F243-D272 PolarHBondContact O-N 3.16Å; F243-D272 VanDerWaalsContact O-N 3.15Å; I244-D272 WeakPolarHBondContact CA-OD2 3.3Å; H245-D272 PolarHBondContact N-OD2 3.04Å; D272-F299 VanDerWaalsContact O-CA 3.27Å; D272-F299 WeakPolarHBondContact O-CA 3.4Å; D272-F299 WeakPolarHBondContact O-CB 3.02Å; D272-F299 WeakPolarHBondContact O-CD2 3.48Å; D272-F299 PolarHBondContact O-N 3.12Å
273	E	87	Confident	84.3	Confident	7 Å²	7	18.1 Å²	18.1	3%	0.033	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.7	177.4	-73.8	174.8	-129.6	0	0	109.7	P122 T142 M147 P275 F299	P122-E273 HydrophobicContact CB-CB 4.35Å; P122-E273 HydrophobicContact CG-CB 3.91Å; T142-E273 WeakPolarHBondContact CB-OE1 3.43Å; T142-E273 PolarHBondContact OG1-OE1 3.37Å; M147-E273 HydrophobicContact CE-CG 3.64Å; M147-E273 WeakPolarHBondContact CE-OE1 3.4Å; E273-P275 WeakPolarHBondContact O-CD 3.38Å; E273-F299 WeakPolarHBondContact CA-O 3.4Å; E273-F299 HydrophobicContact CG-CB 4.43Å
274	I	84	Confident	84.7	Confident	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.105	C	C	.	.			trans	-116.8	71.6	174.3	-52.8	173.6	0	0	0	108.7	Y249 F271 D276 V277 L282 F298	Y249-I274 HydrophobicContact CD2-CG2 4.49Å; Y249-I274 HydrophobicContact CE2-CG1 4.21Å; Y249-I274 HydrophobicContact CE2-CG2 4.42Å; F271-I274 HydrophobicContact CB-CD1 4.33Å; F271-I274 HydrophobicContact CB-CG1 4.3Å; F271-I274 HydrophobicContact CG-CD1 4.4Å; I274-D276 VanDerWaalsContact C-N 3.34Å; I274-D276 PolarHBondContact O-N 3.17Å; I274-V277 HydrophobicContact CG2-CB 3.78Å; I274-V277 HydrophobicContact CG2-CG2 4.32Å; I274-L282 HydrophobicContact CD1-CD2 4.08Å; I274-F298 HydrophobicContact CD1-CB 3.93Å; I274-F298 HydrophobicContact CD1-CD1 4.08Å; I274-F298 HydrophobicContact CD1-CD2 4.5Å; I274-F298 HydrophobicContact CD1-CG 3.94Å; I274-F298 HydrophobicContact CG1-CB 4.24Å; I274-F298 HydrophobicContact CG1-CG 4.46Å
275	P	81.4	Confident	84.9	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.026	11%	0.114	C	C	.	.			trans	-74	-26.8	-169.9	28.8	-37.2	0	0	0	113.6	P122 E273 E336 R337	P122-P275 HydrophobicContact CG-CG 3.94Å; E273-P275 WeakPolarHBondContact O-CD 3.38Å; P275-E336 PolarHBondContact O-N 3.09Å; P275-E336 VanDerWaalsContact O-N 3.09Å; P275-R337 HydrophobicContact CB-CG 3.82Å; P275-R337 PolarHBondContact O-N 3.18Å
276	D	81.1	Confident	85.1	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.021	9%	0.093	C	C	.	.	S	Bend	trans	-105.4	-11.8	-162.4	-69.4	-10.6	0	0	0	114	F33 R121 I274 R337	F33-D276 HydrophobicContact CE2-CB 4.11Å; F33-D276 WeakPolarHBondContact CE2-OD1 3.41Å; R121-D276 IonicContact CZ-OD2 3.45Å; R121-D276 IonicContact NE-OD2 3.13Å; R121-D276 PolarHBondContact NE-OD2 3.41Å; R121-D276 VanDerWaalsContact NE-OD2 3.13Å; R121-D276 IonicContact NH2-OD2 3.27Å; R121-D276 PolarHBondContact NH2-OD2 2.94Å; I274-D276 VanDerWaalsContact C-N 3.34Å; I274-D276 PolarHBondContact O-N 3.17Å; D276-R337 VanDerWaalsContact CG-NH2 3.33Å; D276-R337 IonicContact OD1-CZ 2.69Å; D276-R337 IonicContact OD1-NE 3.35Å; D276-R337 PolarHBondContact OD1-NE 3.35Å; D276-R337 IonicContact OD1-NH2 3.44Å; D276-R337 PolarHBondContact OD1-NH2 3.06Å; D276-R337 IonicContact OD2-NH2 2.71Å; D276-R337 PolarHBondContact OD2-NH2 3.41Å
277	V	83.5	Confident	85.2	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.012	10%	0.098	C	C	.	.	S	Bend	trans	-114.3	131.4	-174.3	179.3	0	0	0	0	110	Y249 L251 I274 I279	Y249-V277 HydrophobicContact CD1-CG2 3.98Å; Y249-V277 HydrophobicContact CG-CG2 4.11Å; L251-V277 HydrophobicContact CD1-CG1 3.87Å; I274-V277 HydrophobicContact CG2-CB 3.78Å; I274-V277 HydrophobicContact CG2-CG2 4.32Å; V277-I279 PolarHBondContact O-N 3.23Å
278	P	87.5	Confident	84.8	Confident	4 Å²	4	20.4 Å²	20.4	3%	0.026	13%	0.125	C	C	.	.			trans	-59.2	130.4	167.9	-21.5	33.3	0	0	0	111.2	Y38 S280 D281 L282 H332 P335	Y38-P278 HydrophobicContact CD1-CG 4.37Å; Y38-P278 HydrophobicContact CE1-CG 3.93Å; P278-S280 WeakPolarHBondContact CB-OG 3.42Å; P278-S280 PolarHBondContact O-N 3.43Å; P278-D281 PolarHBondContact O-N 3.32Å; P278-D281 VanDerWaalsContact O-N 3.12Å; P278-L282 PolarHBondContact O-N 3.45Å; P278-H332 CarbonylContact C-O 3.48Å; P278-P335 HydrophobicContact CG-CG 4.06Å
279	I	88.8	Confident	84.1	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-24.9	178	-57.3	-57.1	0	0	0	111.3	V277 D281 L282 L283 F298 L305 H332 F416	V277-I279 PolarHBondContact O-N 3.23Å; I279-D281 VanDerWaalsContact C-N 3.26Å; I279-D281 PolarHBondContact O-N 3.43Å; I279-L282 HydrophobicContact CD1-CD2 4.36Å; I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.79Å; I279-L283 HydrophobicContact CG2-CD1 4.47Å; I279-L283 HydrophobicContact CG2-CG 4.35Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 3.44Å; I279-F298 HydrophobicContact CD1-CE1 4.14Å; I279-F298 HydrophobicContact CD1-CE2 3.99Å; I279-F298 HydrophobicContact CD1-CZ 3.62Å; I279-F298 HydrophobicContact CG1-CZ 4.08Å; I279-F298 HydrophobicContact CG2-CZ 4.37Å; I279-L305 HydrophobicContact CB-CD1 4.05Å; I279-L305 HydrophobicContact CG1-CD1 3.83Å; I279-L305 HydrophobicContact CG2-CD1 4.34Å; I279-L305 HydrophobicContact CG2-CD2 4.3Å; I279-H332 CarbonylContact C-O 3.59Å; I279-H332 HydrophobicContact CB-CB 4.35Å; I279-H332 PolarHBondContact N-O 2.94Å; I279-F416 HydrophobicContact CG2-CD2 3.51Å; I279-F416 HydrophobicContact CG2-CE2 3.98Å; I279-F416 HydrophobicContact CG2-CG 4.41Å
280	S	87.1	Confident	83.1	Confident	24 Å²	24	27.6 Å²	27.6	17%	0.168	17%	0.165	C	C	.	.	H	α-helix	trans	-54.2	-42.2	170.9	58.5	0	0	0	0	112.5	P278 L283 N284 H332	P278-S280 WeakPolarHBondContact CB-OG 3.42Å; P278-S280 PolarHBondContact O-N 3.43Å; S280-L283 WeakPolarHBondContact O-CB 3.48Å; S280-L283 PolarHBondContact O-N 3.39Å; S280-N284 VanDerWaalsContact O-CG 3.24Å; S280-N284 PolarHBondContact O-N 3.29Å; S280-N284 PolarHBondContact O-ND2 3.12Å; S280-H332 PolarHBondContact N-O 3.19Å
281	D	84.4	Confident	81.8	Confident	38 Å²	38	27.6 Å²	27.6	20%	0.203	17%	0.166	C	C	.	.	H	α-helix	trans	-76.8	-36.6	-177.2	-66.3	-24.7	0	0	0	110.8	Y38 L251 P278 I279 L283 N284 F285	Y38-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y38-D281 WeakPolarHBondContact OH-CB 3.39Å; Y38-D281 VanDerWaalsContact OH-CG 3.3Å; Y38-D281 PolarHBondContact OH-OD2 3.38Å; L251-D281 HydrophobicContact CD1-CB 4.44Å; P278-D281 PolarHBondContact O-N 3.32Å; P278-D281 VanDerWaalsContact O-N 3.12Å; I279-D281 VanDerWaalsContact C-N 3.26Å; I279-D281 PolarHBondContact O-N 3.43Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 2.73Å; D281-N284 WeakPolarHBondContact O-CB 3.49Å; D281-N284 PolarHBondContact O-N 3.32Å; D281-N284 VanDerWaalsContact O-N 3.16Å; D281-F285 HydrophobicContact CB-CE2 4.19Å; D281-F285 WeakPolarHBondContact O-CD2 3.38Å; D281-F285 VanDerWaalsContact O-CE2 3.28Å; D281-F285 WeakPolarHBondContact O-CE2 3.44Å; D281-F285 PolarHBondContact O-N 3.26Å
282	L	83.6	Confident	80.5	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-55.8	-47.6	168.1	178.8	56.4	0	0	0	111.1	L254 F258 I274 P278 I279 N284 F285 I286 F416	L254-L282 HydrophobicContact CB-CD1 4.47Å; L254-L282 HydrophobicContact CD1-CD1 4.11Å; L254-L282 HydrophobicContact CD2-CD1 4.28Å; F258-L282 HydrophobicContact CD2-CD1 4.24Å; F258-L282 HydrophobicContact CE2-CD1 3.33Å; F258-L282 HydrophobicContact CZ-CD1 3.84Å; I274-L282 HydrophobicContact CD1-CD2 4.08Å; P278-L282 PolarHBondContact O-N 3.45Å; I279-L282 HydrophobicContact CD1-CD2 4.36Å; I279-L282 WeakPolarHBondContact O-CB 3.39Å; I279-L282 PolarHBondContact O-N 2.79Å; L282-N284 VanDerWaalsContact C-N 3.32Å; L282-N284 PolarHBondContact O-N 2.82Å; L282-F285 PolarHBondContact O-N 2.78Å; L282-I286 HydrophobicContact CD1-CD1 3.99Å; L282-I286 HydrophobicContact CD1-CG1 4.26Å; L282-I286 HydrophobicContact CG-CD1 3.92Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 2.59Å; L282-F416 HydrophobicContact CD2-CE2 3.76Å; L282-F416 HydrophobicContact CD2-CZ 3.75Å; L282-F416 HydrophobicContact CG-CE2 4Å; L282-F416 HydrophobicContact CG-CZ 4.18Å
283	L	85.4	Confident	79.6	Confident	24 Å²	24	36.6 Å²	36.6	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-39.6	175.8	-70.6	175.3	0	0	0	112.1	I279 S280 D281 F285 I286 A287 L406 K414 F416	I279-L283 HydrophobicContact CG2-CD1 4.47Å; I279-L283 HydrophobicContact CG2-CG 4.35Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 3.44Å; S280-L283 WeakPolarHBondContact O-CB 3.48Å; S280-L283 PolarHBondContact O-N 3.39Å; D281-L283 VanDerWaalsContact C-N 3.31Å; D281-L283 PolarHBondContact O-N 2.73Å; L283-F285 PolarHBondContact O-N 3.01Å; L283-I286 PolarHBondContact O-N 3Å; L283-A287 WeakPolarHBondContact O-CB 3.47Å; L283-A287 PolarHBondContact O-N 3.25Å; L283-L406 HydrophobicContact CD2-CD1 4.45Å; L283-K414 HydrophobicContact CD2-CB 4.47Å; L283-K414 WeakPolarHBondContact CD2-O 3.49Å; L283-F416 HydrophobicContact CD2-CD2 3.54Å; L283-F416 HydrophobicContact CD2-CE2 3.53Å; L283-F416 HydrophobicContact CG-CD2 4.06Å; L283-F416 HydrophobicContact CG-CE2 4.1Å
284	N	83.7	Confident	79.2	Confident	99 Å²	99	36.3 Å²	36.3	53%	0.529	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-40.2	174.9	-70.1	-28	0	0	0	112.5	S280 D281 L282 A287 S288	S280-N284 VanDerWaalsContact O-CG 3.24Å; S280-N284 PolarHBondContact O-N 3.29Å; S280-N284 PolarHBondContact O-ND2 3.12Å; D281-N284 WeakPolarHBondContact O-CB 3.49Å; D281-N284 PolarHBondContact O-N 3.32Å; D281-N284 VanDerWaalsContact O-N 3.16Å; L282-N284 VanDerWaalsContact C-N 3.32Å; L282-N284 PolarHBondContact O-N 2.82Å; N284-A287 PolarHBondContact O-N 3.17Å; N284-S288 PolarHBondContact O-N 3.25Å; N284-S288 PolarHBondContact O-OG 3.1Å
285	F	78.5	Confident	79.3	Confident	41 Å²	41	38.5 Å²	38.5	18%	0.18	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-36.6	175	-66.1	-61.2	0	0	0	113	L251 R255 D281 L282 L283 A287 S288 S289	L251-F285 HydrophobicContact CD1-CE2 3.92Å; L251-F285 HydrophobicContact CD2-CD2 3.85Å; L251-F285 HydrophobicContact CD2-CE1 4.11Å; L251-F285 HydrophobicContact CD2-CE2 3.03Å; L251-F285 HydrophobicContact CD2-CZ 3.2Å; L251-F285 HydrophobicContact CG-CD2 4.44Å; L251-F285 HydrophobicContact CG-CE2 3.75Å; L251-F285 HydrophobicContact CG-CZ 4.34Å; R255-F285 HydrophobicContact CG-CD1 4.32Å; R255-F285 VanDerWaalsContact NE-CE1 3.32Å; D281-F285 HydrophobicContact CB-CE2 4.19Å; D281-F285 WeakPolarHBondContact O-CD2 3.38Å; D281-F285 VanDerWaalsContact O-CE2 3.28Å; D281-F285 WeakPolarHBondContact O-CE2 3.44Å; D281-F285 PolarHBondContact O-N 3.26Å; L282-F285 PolarHBondContact O-N 2.78Å; L283-F285 PolarHBondContact O-N 3.01Å; F285-A287 VanDerWaalsContact C-N 3.3Å; F285-S288 PolarHBondContact O-N 3.24Å; F285-S288 PolarHBondContact O-OG 3.42Å; F285-S289 WeakPolarHBondContact O-CB 2.99Å; F285-S289 PolarHBondContact O-N 3.3Å; F285-S289 PolarHBondContact O-OG 3.39Å
286	I	80.8	Confident	79.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-35.4	176	-59.4	168	0	0	0	109.5	F258 L282 L283 S289 A291 L406 K414 F416	F258-I286 HydrophobicContact CD1-CG1 3.95Å; F258-I286 HydrophobicContact CD2-CG1 4.34Å; F258-I286 HydrophobicContact CE1-CD1 4.01Å; F258-I286 HydrophobicContact CE1-CG1 3.62Å; F258-I286 HydrophobicContact CE2-CD1 4.47Å; F258-I286 HydrophobicContact CE2-CG1 4.08Å; F258-I286 HydrophobicContact CG-CG1 4.33Å; F258-I286 HydrophobicContact CZ-CD1 3.84Å; F258-I286 HydrophobicContact CZ-CG1 3.71Å; L282-I286 HydrophobicContact CD1-CD1 3.99Å; L282-I286 HydrophobicContact CD1-CG1 4.26Å; L282-I286 HydrophobicContact CG-CD1 3.92Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 2.59Å; L283-I286 PolarHBondContact O-N 3Å; I286-S289 WeakPolarHBondContact CA-OG 3.3Å; I286-S289 PolarHBondContact O-N 3.02Å; I286-S289 PolarHBondContact O-OG 3.46Å; I286-A291 HydrophobicContact CG2-CB 4.17Å; I286-L406 HydrophobicContact CD1-CD1 4.07Å; I286-L406 HydrophobicContact CD1-CD2 4.48Å; I286-L406 HydrophobicContact CG2-CD1 4.43Å; I286-L406 HydrophobicContact CG2-CD2 4.06Å; I286-K414 HydrophobicContact CB-CD 4.31Å; I286-K414 HydrophobicContact CG2-CD 3.42Å; I286-K414 VanDerWaalsContact CG2-CD 3.42Å; I286-K414 PolarHBondContact O-NZ 3.46Å; I286-F416 HydrophobicContact CD1-CE2 3.96Å; I286-F416 HydrophobicContact CD1-CZ 3.68Å
287	A	78.2	Confident	80.2	Confident	64 Å²	64	38.2 Å²	38.2	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-68.2	-37.8	175.1	0	0	0	0	0	112.6	L283 N284 F285 S289	L283-A287 WeakPolarHBondContact O-CB 3.47Å; L283-A287 PolarHBondContact O-N 3.25Å; N284-A287 PolarHBondContact O-N 3.17Å; F285-A287 VanDerWaalsContact C-N 3.3Å; A287-S289 VanDerWaalsContact C-N 3.27Å; A287-S289 PolarHBondContact O-N 3.26Å
288	S	76.9	Confident	80.7	Confident	97 Å²	97	38.2 Å²	38.2	68%	0.678	21%	0.212	S	C	*	.	H	α-helix	trans	-74.4	-16.4	177.3	68.6	0	0	0	0	114.1	N284 F285	N284-S288 PolarHBondContact O-N 3.25Å; N284-S288 PolarHBondContact O-OG 3.1Å; F285-S288 PolarHBondContact O-N 3.24Å; F285-S288 PolarHBondContact O-OG 3.42Å
289	S	73.1	Confident	81	Confident	19 Å²	19	38 Å²	38	13%	0.133	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	150.8	176.5	55	0	0	0	0	111.8	F285 I286 A287 A291 K414	F285-S289 WeakPolarHBondContact O-CB 2.99Å; F285-S289 PolarHBondContact O-N 3.3Å; F285-S289 PolarHBondContact O-OG 3.39Å; I286-S289 WeakPolarHBondContact CA-OG 3.3Å; I286-S289 PolarHBondContact O-N 3.02Å; I286-S289 PolarHBondContact O-OG 3.46Å; A287-S289 VanDerWaalsContact C-N 3.27Å; A287-S289 PolarHBondContact O-N 3.26Å; S289-A291 PolarHBondContact O-N 3.25Å; S289-A291 VanDerWaalsContact OG-CB 3.31Å; S289-A291 WeakPolarHBondContact OG-CB 3.44Å; S289-K414 PolarHBondContact O-NZ 3.24Å
290	N	68.8	Low	81.1	Confident	144 Å²	144	38 Å²	38	77%	0.77	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	40.9	168.8	-76	1.7	0	0	0	111.8	E292	N290-E292 PolarHBondContact O-N 2.81Å
291	A	63.7	Low	81.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.204	C	C	.	.			trans	-87.9	32.6	-177.9	0	0	0	0	0	112.4	F258 I286 S289 K293 M294	F258-A291 HydrophobicContact CD1-CB 4.28Å; I286-A291 HydrophobicContact CG2-CB 4.17Å; S289-A291 PolarHBondContact O-N 3.25Å; S289-A291 VanDerWaalsContact OG-CB 3.31Å; S289-A291 WeakPolarHBondContact OG-CB 3.44Å; A291-K293 PolarHBondContact O-N 3Å; A291-K293 VanDerWaalsContact O-N 3.07Å; A291-M294 HydrophobicContact CB-CE 3.79Å; A291-M294 HydrophobicContact CB-CG 3.87Å; A291-M294 HydrophobicContact CB-SD 3.94Å; A291-M294 PolarHBondContact O-N 3.45Å
292	E	64.3	Low	81.6	Confident	81 Å²	81	35.3 Å²	35.3	38%	0.379	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.9	-177.6	-71.5	171.6	-171.4	0	0	113.2	N290 T408	N290-E292 PolarHBondContact O-N 2.81Å; E292-T408 WeakPolarHBondContact O-CG2 3.42Å
293	K	69.1	Low	81.9	Confident	111 Å²	111	35.3 Å²	35.3	48%	0.483	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	17.6	-170.3	-61.8	-179.5	170.5	-164.9	0	113.8	A291 E794	A291-K293 PolarHBondContact O-N 3Å; A291-K293 VanDerWaalsContact O-N 3.07Å; K293-E794 WeakPolarHBondContact CD-OE1 3.37Å; K293-E794 WeakPolarHBondContact CE-OE1 3.3Å; K293-E794 IonicContact NZ-OE1 3.95Å; K293-E794 PolarHBondContact NZ-OE1 3.35Å; K293-E794 IonicContact NZ-OE2 3.23Å
294	M	80.2	Confident	82.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.189	C	C	.	.			trans	-72.3	142.6	175	-73.3	-159.3	-170.8	0	0	111.4	F258 T264 A291 V296 T449	F258-M294 HydrophobicContact CD1-CE 4.02Å; F258-M294 HydrophobicContact CD1-SD 3.43Å; F258-M294 WeakPolarHBondContact CD1-SD 2.99Å; F258-M294 HydrophobicContact CE1-SD 3.66Å; T264-M294 WeakPolarHBondContact OG1-CE 3.34Å; A291-M294 HydrophobicContact CB-CE 3.79Å; A291-M294 HydrophobicContact CB-CG 3.87Å; A291-M294 HydrophobicContact CB-SD 3.94Å; A291-M294 PolarHBondContact O-N 3.45Å; M294-V296 HydrophobicContact CB-CG2 4Å; M294-T449 WeakPolarHBondContact O-CG2 3.36Å; M294-T449 PolarHBondContact O-OG1 3.45Å
295	K	86.1	Confident	82.4	Confident	49 Å²	49	29.4 Å²	29.4	21%	0.213	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	93.7	175.5	-64.5	162.2	174.7	-169.2	0	107.3	Y268 W269 F447	Y268-K295 HydrophobicContact CD1-CB 3.75Å; Y268-K295 HydrophobicContact CD1-CD 3.78Å; Y268-K295 HydrophobicContact CD1-CG 4.23Å; Y268-K295 HydrophobicContact CD2-CD 4.03Å; Y268-K295 HydrophobicContact CE1-CB 4.24Å; Y268-K295 HydrophobicContact CE1-CD 3.56Å; Y268-K295 HydrophobicContact CE1-CG 4.21Å; Y268-K295 HydrophobicContact CE2-CD 3.77Å; Y268-K295 HydrophobicContact CG-CB 4.12Å; Y268-K295 HydrophobicContact CG-CD 4.03Å; Y268-K295 VanDerWaalsContact CZ-NZ 3.31Å; Y268-K295 PolarHBondContact OH-NZ 3.19Å; W269-K295 PolarHBondContact N-O 2.91Å; K295-F447 HydrophobicContact CB-CD1 4.23Å
296	V	89.4	Confident	82.8	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.7	-177.7	180	0	0	0	0	109.9	F258 W269 F271 M294 S405 L406 F416	F258-V296 HydrophobicContact CE1-CG2 3.86Å; F258-V296 HydrophobicContact CZ-CG1 4.47Å; F258-V296 HydrophobicContact CZ-CG2 4.12Å; W269-V296 HydrophobicContact CB-CG2 4.31Å; W269-V296 CarbonylContact O-C 3.54Å; W269-V296 WeakPolarHBondContact O-CA 3.39Å; F271-V296 HydrophobicContact CD2-CG1 4.05Å; F271-V296 HydrophobicContact CE2-CG1 3.79Å; M294-V296 HydrophobicContact CB-CG2 4Å; V296-S405 WeakPolarHBondContact O-CA 3.35Å; V296-L406 HydrophobicContact CB-CB 4.4Å; V296-L406 PolarHBondContact O-N 3.11Å; V296-F416 HydrophobicContact CG1-CE1 4.24Å; V296-F416 HydrophobicContact CG1-CZ 4.49Å
297	G	91.7	Very high	83.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161	167.9	0	0	0	0	0	112.1	W269 I270 F271 Y404	W269-G297 PolarHBondContact O-N 3.24Å; I270-G297 CarbonylContact C-O 3.58Å; I270-G297 WeakPolarHBondContact CA-O 3.08Å; F271-G297 PolarHBondContact N-O 2.89Å; G297-Y404 CarbonylContact C-O 3.52Å; G297-Y404 WeakPolarHBondContact CA-O 3.39Å
298	F	93.3	Very high	83.3	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.8	179.9	62	-94.2	0	0	0	110.6	F271 I274 I279 R300 L305 Y404 F416	F271-F298 HydrophobicContact CB-CB 3.84Å; F271-F298 WeakPolarHBondContact O-CA 3.43Å; I274-F298 HydrophobicContact CD1-CB 3.93Å; I274-F298 HydrophobicContact CD1-CD1 4.08Å; I274-F298 HydrophobicContact CD1-CD2 4.5Å; I274-F298 HydrophobicContact CD1-CG 3.94Å; I274-F298 HydrophobicContact CG1-CB 4.24Å; I274-F298 HydrophobicContact CG1-CG 4.46Å; I279-F298 HydrophobicContact CD1-CE1 4.14Å; I279-F298 HydrophobicContact CD1-CE2 3.99Å; I279-F298 HydrophobicContact CD1-CZ 3.62Å; I279-F298 HydrophobicContact CG1-CZ 4.08Å; I279-F298 HydrophobicContact CG2-CZ 4.37Å; F298-R300 HydrophobicContact CE2-CB 4.38Å; F298-L305 HydrophobicContact CZ-CD2 4.34Å; F298-Y404 HydrophobicContact CE2-CD2 4.34Å; F298-Y404 HydrophobicContact CE2-CG 4.3Å; F298-Y404 HydrophobicContact CZ-CG 4.29Å; F298-Y404 PolarHBondContact N-O 2.67Å; F298-Y404 PolarHBondContact O-N 2.93Å; F298-F416 HydrophobicContact CD1-CD1 4.11Å; F298-F416 AromaticContact CD1-CE1 4Å; F298-F416 HydrophobicContact CD1-CE1 4Å; F298-F416 HydrophobicContact CD1-CZ 4.47Å; F298-F416 HydrophobicContact CE1-CB 4.26Å; F298-F416 AromaticContact CE1-CD1 3.44Å; F298-F416 HydrophobicContact CE1-CD1 3.44Å; F298-F416 VanDerWaalsContact CE1-CD1 3.44Å; F298-F416 HydrophobicContact CE1-CD2 4Å; F298-F416 AromaticContact CE1-CE1 3.63Å; F298-F416 HydrophobicContact CE1-CE1 3.63Å; F298-F416 HydrophobicContact CE1-CE2 4.16Å; F298-F416 AromaticContact CE1-CG 3.64Å; F298-F416 HydrophobicContact CE1-CG 3.64Å; F298-F416 AromaticContact CE1-CZ 3.99Å; F298-F416 HydrophobicContact CE1-CZ 3.99Å; F298-F416 HydrophobicContact CZ-CB 4.39Å; F298-F416 HydrophobicContact CZ-CD1 4.34Å; F298-F416 HydrophobicContact CZ-CG 4.19Å
299	F	93.4	Very high	83.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.4	168.1	-58.7	-95.7	0	0	0	112.3	M147 A150 L151 I154 I270 F271 D272 E273 L401 W402 F403 M428	M147-F299 HydrophobicContact CE-CB 4.26Å; M147-F299 HydrophobicContact CE-CD2 4.46Å; M147-F299 HydrophobicContact SD-CD2 4.01Å; M147-F299 HydrophobicContact SD-CE2 4.28Å; A150-F299 HydrophobicContact CB-CE1 4.11Å; A150-F299 HydrophobicContact CB-CZ 3.92Å; L151-F299 HydrophobicContact CD2-CD2 4.46Å; L151-F299 HydrophobicContact CD2-CE2 3.75Å; L151-F299 HydrophobicContact CG-CE2 4.44Å; I154-F299 HydrophobicContact CD1-CE1 3.84Å; I154-F299 HydrophobicContact CD1-CE2 3.68Å; I154-F299 HydrophobicContact CD1-CZ 3.12Å; I154-F299 HydrophobicContact CG1-CZ 3.86Å; I270-F299 HydrophobicContact CG2-CE2 4.44Å; F271-F299 PolarHBondContact O-N 2.77Å; D272-F299 VanDerWaalsContact O-CA 3.27Å; D272-F299 WeakPolarHBondContact O-CA 3.4Å; D272-F299 WeakPolarHBondContact O-CB 3.02Å; D272-F299 WeakPolarHBondContact O-CD2 3.48Å; D272-F299 PolarHBondContact O-N 3.12Å; E273-F299 WeakPolarHBondContact CA-O 3.4Å; E273-F299 HydrophobicContact CG-CB 4.43Å; F299-L401 HydrophobicContact CD1-CB 3.91Å; F299-W402 CarbonylContact C-O 3.58Å; F299-W402 VanDerWaalsContact CA-O 3.27Å; F299-W402 WeakPolarHBondContact CA-O 3.49Å; F299-F403 HydrophobicContact CD1-CB 4.13Å; F299-F403 HydrophobicContact CD1-CD2 4.17Å; F299-F403 HydrophobicContact CD2-CD2 4.28Å; F299-F403 HydrophobicContact CE1-CB 4.13Å; F299-F403 HydrophobicContact CE1-CD2 4.09Å; F299-F403 HydrophobicContact CE2-CD2 4.17Å; F299-F403 HydrophobicContact CG-CD2 4.31Å; F299-F403 HydrophobicContact CZ-CD2 4.12Å; F299-M428 HydrophobicContact CE1-CE 3.77Å; F299-M428 HydrophobicContact CZ-CE 4.16Å
300	R	92.3	Very high	84.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.7	176	-164.5	178.6	174.1	81.4	-11.3	108.1	F298 F302 T331 E336 W402 Y404	F298-R300 HydrophobicContact CE2-CB 4.38Å; R300-F302 VanDerWaalsContact CD-O 3.25Å; R300-F302 WeakPolarHBondContact CD-O 3.43Å; R300-F302 HydrophobicContact CG-CB 4.47Å; R300-F302 WeakPolarHBondContact CG-O 3.33Å; R300-F302 PolarHBondContact NE-O 2.73Å; R300-T331 PolarHBondContact NH2-OG1 2.83Å; R300-E336 HydrophobicContact CG-CG 4.21Å; R300-E336 WeakPolarHBondContact CG-OE1 3.36Å; R300-E336 WeakPolarHBondContact CG-OE2 3.46Å; R300-E336 VanDerWaalsContact NH1-CB 3.33Å; R300-E336 IonicContact NH1-OE2 3.56Å; R300-W402 PolarHBondContact N-O 2.88Å; R300-W402 PolarHBondContact O-N 2.92Å; R300-Y404 HydrophobicContact CB-CD2 3.96Å; R300-Y404 HydrophobicContact CB-CE2 4.01Å
301	Q	90	Very high	85	Confident	5 Å²	5	26.6 Å²	26.6	2%	0.023	13%	0.134	C	C	.	.	S	Bend	trans	-78	-38.6	173.9	-166.5	-179.6	19.6	0	0	110.6	E336 W398	Q301-E336 WeakPolarHBondContact CA-OE1 3.42Å; Q301-E336 PolarHBondContact N-OE1 3.11Å; Q301-W398 HydrophobicContact CG-CE3 4.23Å; Q301-W398 WeakPolarHBondContact CG-O 3.46Å; Q301-W398 PolarHBondContact NE2-O 2.86Å
302	F	91.1	Very high	85.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-75.6	123.2	177.9	-163.2	-101.9	0	0	0	111	R300 V304 I323 L327 T331 E336 T339 I340 Y343 W398	R300-F302 VanDerWaalsContact CD-O 3.25Å; R300-F302 WeakPolarHBondContact CD-O 3.43Å; R300-F302 HydrophobicContact CG-CB 4.47Å; R300-F302 WeakPolarHBondContact CG-O 3.33Å; R300-F302 PolarHBondContact NE-O 2.73Å; F302-V304 VanDerWaalsContact C-N 3.35Å; F302-V304 HydrophobicContact CD1-CB 4.3Å; F302-V304 WeakPolarHBondContact CD1-O 3.38Å; F302-V304 HydrophobicContact CE1-CB 3.89Å; F302-V304 PolarHBondContact O-N 3.34Å; F302-I323 HydrophobicContact CE1-CD1 4.33Å; F302-I323 HydrophobicContact CZ-CD1 3.83Å; F302-I323 HydrophobicContact CZ-CG1 4.05Å; F302-L327 HydrophobicContact CE1-CD1 4.47Å; F302-L327 HydrophobicContact CZ-CD1 4.27Å; F302-T331 HydrophobicContact CE1-CG2 4.03Å; F302-E336 HydrophobicContact CB-CG 4.08Å; F302-E336 PolarHBondContact N-OE1 3.45Å; F302-T339 HydrophobicContact CD1-CG2 3.68Å; F302-T339 HydrophobicContact CE1-CG2 3.55Å; F302-T339 HydrophobicContact CE2-CG2 4.45Å; F302-T339 HydrophobicContact CG-CG2 4.18Å; F302-T339 HydrophobicContact CZ-CG2 3.97Å; F302-I340 HydrophobicContact CB-CG1 4.21Å; F302-I340 HydrophobicContact CD2-CG1 4.04Å; F302-I340 HydrophobicContact CG-CG1 4.46Å; F302-Y343 HydrophobicContact CE2-CD1 4.43Å; F302-Y343 HydrophobicContact CE2-CD2 4.31Å; F302-Y343 AromaticContact CE2-CG 3.99Å; F302-Y343 HydrophobicContact CE2-CG 3.99Å; F302-Y343 HydrophobicContact CZ-CD2 4.46Å; F302-Y343 HydrophobicContact CZ-CG 4.49Å; F302-W398 HydrophobicContact CD2-CH2 4.08Å; F302-W398 AromaticContact CD2-CZ3 3.98Å; F302-W398 HydrophobicContact CD2-CZ3 3.98Å; F302-W398 HydrophobicContact CE2-CH2 4.33Å
303	P	89.1	Confident	86.7	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.013	14%	0.141	C	C	.	.	S	Bend	trans	-65.1	-34.2	-170.6	21.6	-31.8	0	0	0	113.4	H313 L315 F397 W402 Y404	P303-H313 PolarHBondContact O-CE1 3.47Å; P303-H313 PolarHBondContact O-ND1 3.39Å; P303-L315 HydrophobicContact CB-CD1 4.45Å; P303-L315 HydrophobicContact CB-CD2 4.19Å; P303-L315 HydrophobicContact CG-CD1 4.16Å; P303-L315 HydrophobicContact CG-CD2 3.97Å; P303-F397 HydrophobicContact CG-CE2 3.79Å; P303-F397 HydrophobicContact CG-CZ 3.63Å; P303-W402 HydrophobicContact CB-CD2 4.46Å; P303-W402 HydrophobicContact CB-CZ2 4.23Å; P303-Y404 PolarHBondContact O-OH 3.2Å
304	V	90.1	Very high	87.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.			trans	-97.8	120.2	-170.1	176.2	0	0	0	0	111.2	F302 D309 L310 L315 I323 T331	F302-V304 VanDerWaalsContact C-N 3.35Å; F302-V304 HydrophobicContact CD1-CB 4.3Å; F302-V304 WeakPolarHBondContact CD1-O 3.38Å; F302-V304 HydrophobicContact CE1-CB 3.89Å; F302-V304 PolarHBondContact O-N 3.34Å; V304-D309 HydrophobicContact CB-CB 4.49Å; V304-D309 HydrophobicContact CG1-CB 4.42Å; V304-D309 HydrophobicContact CG2-CB 4.47Å; V304-L310 HydrophobicContact CB-CD1 4.49Å; V304-L310 HydrophobicContact CG1-CD1 3.41Å; V304-L310 VanDerWaalsContact CG1-CD1 3.41Å; V304-L310 HydrophobicContact CG1-CG 4.16Å; V304-L310 HydrophobicContact CG2-CD1 4.26Å; V304-L310 HydrophobicContact CG2-CG 4.11Å; V304-L315 HydrophobicContact CG2-CD1 3.59Å; V304-I323 HydrophobicContact CB-CG2 4.39Å; V304-I323 HydrophobicContact CG1-CG2 4.17Å; V304-I323 HydrophobicContact CG2-CD1 3.82Å; V304-I323 HydrophobicContact CG2-CG2 4.41Å; V304-T331 HydrophobicContact CG1-CG2 4.34Å; V304-T331 PolarHBondContact O-OG1 3.42Å
305	L	90.1	Very high	87.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-106.2	-50.5	166.1	-176.9	64.5	0	0	0	110.8	I279 F298 D309 T331 H332 Y404 F416	I279-L305 HydrophobicContact CB-CD1 4.05Å; I279-L305 HydrophobicContact CG1-CD1 3.83Å; I279-L305 HydrophobicContact CG2-CD1 4.34Å; I279-L305 HydrophobicContact CG2-CD2 4.3Å; F298-L305 HydrophobicContact CZ-CD2 4.34Å; L305-D309 PolarHBondContact N-OD2 2.79Å; L305-D309 VanDerWaalsContact N-OD2 3.11Å; L305-T331 WeakPolarHBondContact CA-OG1 3.5Å; L305-T331 PolarHBondContact O-N 2.84Å; L305-H332 HydrophobicContact CD1-CB 3.91Å; L305-H332 HydrophobicContact CG-CB 4.4Å; L305-H332 PolarHBondContact O-N 2.87Å; L305-Y404 HydrophobicContact CB-CD1 4.26Å; L305-Y404 HydrophobicContact CB-CE1 3.49Å; L305-Y404 VanDerWaalsContact CB-CE1 3.49Å; L305-Y404 HydrophobicContact CB-CE2 4.43Å; L305-Y404 HydrophobicContact CD2-CD1 3.6Å; L305-Y404 HydrophobicContact CD2-CE1 3.71Å; L305-Y404 HydrophobicContact CD2-CG 4.24Å; L305-Y404 HydrophobicContact CG-CE1 4.25Å; L305-Y404 PolarHBondContact N-OH 3.13Å; L305-F416 HydrophobicContact CD2-CB 3.73Å
306	N	88.2	Confident	87.1	Confident	19 Å²	19	33.5 Å²	33.5	10%	0.102	17%	0.174	C	C	.	.	S	Bend	trans	-110.1	162.8	-178.8	-60.7	-41.1	0	0	0	111.1	D308 D309 N415 F416	N306-D308 PolarHBondContact O-N 2.78Å; N306-D309 PolarHBondContact N-OD2 2.94Å; N306-D309 WeakPolarHBondContact O-CB 3.42Å; N306-D309 PolarHBondContact O-N 2.69Å; N306-N415 PolarHBondContact ND2-ND2 3.49Å; N306-F416 PolarHBondContact ND2-O 3.25Å
307	F	85.6	Confident	86.8	Confident	100 Å²	100	42 Å²	42	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-55.3	-37.1	177.4	-172.1	-95.2	0	0	0	113.2	D309 L310 G329 E330	F307-D309 VanDerWaalsContact C-N 3.25Å; F307-D309 PolarHBondContact O-N 2.99Å; F307-L310 WeakPolarHBondContact O-CD1 3.29Å; F307-L310 PolarHBondContact O-N 3.26Å; F307-G329 VanDerWaalsContact CA-O 3.3Å; F307-G329 WeakPolarHBondContact CA-O 3.33Å; F307-G329 PolarHBondContact N-O 3.3Å; F307-E330 HydrophobicContact CB-CG 4.25Å
308	D	83.7	Confident	86.2	Confident	86 Å²	86	45.3 Å²	45.3	46%	0.46	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-34	177.9	-88.3	15.4	0	0	0	113.8	N306 L310 S311 K312	N306-D308 PolarHBondContact O-N 2.78Å; D308-L310 VanDerWaalsContact C-N 3.27Å; D308-L310 PolarHBondContact O-N 3.09Å; D308-S311 PolarHBondContact O-N 3.48Å; D308-S311 PolarHBondContact O-OG 3.15Å; D308-K312 HydrophobicContact CB-CD 4.36Å; D308-K312 WeakPolarHBondContact O-CG 3.3Å; D308-K312 PolarHBondContact O-N 3.32Å; D308-K312 IonicContact OD2-NZ 2.78Å; D308-K312 PolarHBondContact OD2-NZ 3.26Å
309	D	86.9	Confident	85.7	Confident	5 Å²	5	46 Å²	46	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-29.6	-175.7	-63.5	-45.7	0	0	0	111.5	V304 L305 N306 F307 S311 K312 H313 Y404 S418	V304-D309 HydrophobicContact CB-CB 4.49Å; V304-D309 HydrophobicContact CG1-CB 4.42Å; V304-D309 HydrophobicContact CG2-CB 4.47Å; L305-D309 PolarHBondContact N-OD2 2.79Å; L305-D309 VanDerWaalsContact N-OD2 3.11Å; N306-D309 PolarHBondContact N-OD2 2.94Å; N306-D309 WeakPolarHBondContact O-CB 3.42Å; N306-D309 PolarHBondContact O-N 2.69Å; F307-D309 VanDerWaalsContact C-N 3.25Å; F307-D309 PolarHBondContact O-N 2.99Å; D309-S311 PolarHBondContact O-N 3.17Å; D309-K312 PolarHBondContact O-N 3.14Å; D309-H313 WeakPolarHBondContact O-CB 3.09Å; D309-H313 PolarHBondContact O-N 2.83Å; D309-H313 VanDerWaalsContact O-N 3.09Å; D309-H313 IonicContact OD1-CE1 3.48Å; D309-H313 IonicContact OD1-NE2 3.7Å; D309-Y404 VanDerWaalsContact CG-OH 3.31Å; D309-Y404 PolarHBondContact OD2-OH 3.3Å; D309-S418 PolarHBondContact OD1-OG 2.78Å
310	L	85.1	Confident	85.3	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-56.5	-41	178.3	-79.8	89.6	0	0	0	112	V304 F307 D308 Q320 I323 K324 G329	V304-L310 HydrophobicContact CB-CD1 4.49Å; V304-L310 HydrophobicContact CG1-CD1 3.41Å; V304-L310 VanDerWaalsContact CG1-CD1 3.41Å; V304-L310 HydrophobicContact CG1-CG 4.16Å; V304-L310 HydrophobicContact CG2-CD1 4.26Å; V304-L310 HydrophobicContact CG2-CG 4.11Å; F307-L310 WeakPolarHBondContact O-CD1 3.29Å; F307-L310 PolarHBondContact O-N 3.26Å; D308-L310 VanDerWaalsContact C-N 3.27Å; D308-L310 PolarHBondContact O-N 3.09Å; L310-Q320 PolarHBondContact O-NE2 3.2Å; L310-I323 HydrophobicContact CD1-CG2 4.49Å; L310-I323 HydrophobicContact CD2-CB 4.42Å; L310-I323 HydrophobicContact CD2-CG2 4.23Å; L310-I323 HydrophobicContact CG-CG2 4.4Å; L310-K324 HydrophobicContact CD2-CB 4.18Å; L310-G329 WeakPolarHBondContact CD1-O 3.44Å
311	S	81.6	Confident	84.9	Confident	82 Å²	82	54.1 Å²	54.1	57%	0.573	28%	0.279	S	S	*	.	H	α-helix	trans	-83.8	-38.5	-177.7	68.1	0	0	0	0	112.4	D308 D309	D308-S311 PolarHBondContact O-N 3.48Å; D308-S311 PolarHBondContact O-OG 3.15Å; D309-S311 PolarHBondContact O-N 3.17Å
312	K	81.8	Confident	84.5	Confident	103 Å²	103	54 Å²	54	45%	0.448	28%	0.278	S	S	.	.	H	α-helix	trans	-79.1	-25.9	-171	-68.8	173.1	-170.8	167	0	113.6	D308 D309 E314	D308-K312 HydrophobicContact CB-CD 4.36Å; D308-K312 WeakPolarHBondContact O-CG 3.3Å; D308-K312 PolarHBondContact O-N 3.32Å; D308-K312 IonicContact OD2-NZ 2.78Å; D308-K312 PolarHBondContact OD2-NZ 3.26Å; D309-K312 PolarHBondContact O-N 3.14Å; K312-E314 VanDerWaalsContact C-N 3.3Å; K312-E314 PolarHBondContact O-N 3.14Å
313	H	82.4	Confident	84.2	Confident	18 Å²	18	54 Å²	54	8%	0.083	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.6	-176.9	-64.3	175.6	0	0	0	114.2	P303 D309 L315 W402 S418	P303-H313 PolarHBondContact O-CE1 3.47Å; P303-H313 PolarHBondContact O-ND1 3.39Å; D309-H313 WeakPolarHBondContact O-CB 3.09Å; D309-H313 PolarHBondContact O-N 2.83Å; D309-H313 VanDerWaalsContact O-N 3.09Å; D309-H313 IonicContact OD1-CE1 3.48Å; D309-H313 IonicContact OD1-NE2 3.7Å; H313-L315 HydrophobicContact CB-CD2 4.25Å; H313-L315 HydrophobicContact CB-CG 4.01Å; H313-L315 PolarHBondContact O-N 3Å; H313-W402 HydrophobicContact CB-CH2 3.69Å; H313-W402 HydrophobicContact CB-CZ2 4.01Å; H313-W402 HydrophobicContact CB-CZ3 4.31Å; H313-W402 AromaticContact CD2-CE3 3.93Å; H313-W402 AromaticContact CD2-CH2 3.59Å; H313-W402 AromaticContact CD2-CZ3 3.27Å; H313-W402 WeakPolarHBondContact CD2-CZ3 3.42Å; H313-W402 AromaticContact CE1-CD2 3.85Å; H313-W402 AromaticContact CE1-CE3 3.45Å; H313-W402 VanDerWaalsContact CE1-CE3 3.45Å; H313-W402 AromaticContact CE1-CZ3 3.63Å; H313-W402 AromaticContact CG-CH2 3.41Å; H313-W402 VanDerWaalsContact CG-CH2 3.41Å; H313-W402 AromaticContact CG-CZ2 3.89Å; H313-W402 AromaticContact CG-CZ3 3.54Å; H313-W402 AromaticContact ND1-CD2 3.98Å; H313-W402 AromaticContact ND1-CE3 3.85Å; H313-W402 AromaticContact ND1-CH2 3.8Å; H313-W402 AromaticContact ND1-CZ2 3.92Å; H313-W402 AromaticContact ND1-CZ3 3.77Å; H313-W402 AromaticContact NE2-CE3 3.52Å; H313-W402 AromaticContact NE2-CZ3 3.36Å; H313-W402 WeakPolarHBondContact NE2-CZ3 3.22Å; H313-S418 WeakPolarHBondContact NE2-CB 2.93Å; H313-S418 PolarHBondContact NE2-OG 3.02Å
314	E	78.2	Confident	84	Confident	178 Å²	178	59.7 Å²	59.7	83%	0.832	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33	177.5	-59.5	-176	170	0	0	113.8	K312	K312-E314 VanDerWaalsContact C-N 3.3Å; K312-E314 PolarHBondContact O-N 3.14Å
315	L	82.1	Confident	83.6	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	31%	0.31	C	S	.	.			trans	-63.5	146.9	-178.8	-61.7	178.2	0	0	0	111.1	P303 V304 H313 K317 T319 Q320 I323 F397	P303-L315 HydrophobicContact CB-CD1 4.45Å; P303-L315 HydrophobicContact CB-CD2 4.19Å; P303-L315 HydrophobicContact CG-CD1 4.16Å; P303-L315 HydrophobicContact CG-CD2 3.97Å; V304-L315 HydrophobicContact CG2-CD1 3.59Å; H313-L315 HydrophobicContact CB-CD2 4.25Å; H313-L315 HydrophobicContact CB-CG 4.01Å; H313-L315 PolarHBondContact O-N 3Å; L315-K317 PolarHBondContact O-N 2.84Å; L315-T319 HydrophobicContact CB-CG2 4.47Å; L315-Q320 HydrophobicContact CB-CG 3.84Å; L315-Q320 PolarHBondContact O-NE2 3.28Å; L315-I323 HydrophobicContact CD1-CD1 4.17Å; L315-F397 HydrophobicContact CD2-CE2 4.04Å
316	P	83.5	Confident	83	Confident	73 Å²	73	60.8 Å²	60.8	47%	0.474	31%	0.311	S	S	.	.			trans	-53.5	138.3	173.6	-24.7	33	0	0	0	111.1	S318 T319 Q320	P316-S318 PolarHBondContact O-N 3.15Å; P316-S318 VanDerWaalsContact O-N 3.08Å; P316-T319 WeakPolarHBondContact O-CA 3.03Å; P316-T319 VanDerWaalsContact O-CB 3.31Å; P316-T319 WeakPolarHBondContact O-CB 3.43Å; P316-T319 PolarHBondContact O-N 2.79Å; P316-Q320 PolarHBondContact O-N 3.31Å
317	K	82.8	Confident	82.8	Confident	181 Å²	181	60.3 Å²	60.3	79%	0.787	31%	0.308	S	S	*	.	H	α-helix	trans	-53.1	-35.1	-179.7	-69.8	-177.5	-179.8	178.2	0	113	L315 Q320 L321	L315-K317 PolarHBondContact O-N 2.84Å; K317-Q320 PolarHBondContact O-N 3.36Å; K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 PolarHBondContact O-N 2.73Å
318	S	79.6	Confident	82.4	Confident	69 Å²	69	61.6 Å²	61.6	48%	0.483	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.4	52.8	0	0	0	0	112.4	P316 L322	P316-S318 PolarHBondContact O-N 3.15Å; P316-S318 VanDerWaalsContact O-N 3.08Å; S318-L322 WeakPolarHBondContact O-CB 3.36Å; S318-L322 PolarHBondContact O-N 3.01Å
319	T	82.8	Confident	81.8	Confident	14 Å²	14	57.5 Å²	57.5	9%	0.086	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-44.6	175.4	-60.9	0	0	0	0	111.2	L315 P316 L321 L322 I323 Y343 F397	L315-T319 HydrophobicContact CB-CG2 4.47Å; P316-T319 WeakPolarHBondContact O-CA 3.03Å; P316-T319 VanDerWaalsContact O-CB 3.31Å; P316-T319 WeakPolarHBondContact O-CB 3.43Å; P316-T319 PolarHBondContact O-N 2.79Å; T319-L321 VanDerWaalsContact C-N 3.34Å; T319-L321 PolarHBondContact O-N 3.09Å; T319-L322 WeakPolarHBondContact O-CB 3.4Å; T319-L322 PolarHBondContact O-N 3.2Å; T319-I323 HydrophobicContact CG2-CD1 3.81Å; T319-I323 HydrophobicContact CG2-CG1 4.43Å; T319-I323 VanDerWaalsContact O-CG1 3.32Å; T319-I323 WeakPolarHBondContact O-CG1 3.38Å; T319-I323 PolarHBondContact O-N 3.18Å; T319-Y343 HydrophobicContact CG2-CE2 3.95Å; T319-F397 HydrophobicContact CG2-CE2 4.14Å; T319-F397 HydrophobicContact CG2-CZ 4.41Å
320	Q	84.6	Confident	81.4	Confident	54 Å²	54	61.9 Å²	61.9	25%	0.252	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-45.9	176.3	-68.6	176.5	-12.2	0	0	111.8	L310 L315 P316 K317 L322 I323 K324	L310-Q320 PolarHBondContact O-NE2 3.2Å; L315-Q320 HydrophobicContact CB-CG 3.84Å; L315-Q320 PolarHBondContact O-NE2 3.28Å; P316-Q320 PolarHBondContact O-N 3.31Å; K317-Q320 PolarHBondContact O-N 3.36Å; Q320-L322 VanDerWaalsContact C-N 3.32Å; Q320-L322 PolarHBondContact O-N 2.86Å; Q320-I323 PolarHBondContact O-N 3.41Å; Q320-K324 VanDerWaalsContact O-CB 3.3Å; Q320-K324 WeakPolarHBondContact O-CB 3.26Å; Q320-K324 PolarHBondContact O-N 2.96Å
321	L	83.2	Confident	81.4	Confident	117 Å²	117	61.3 Å²	61.3	61%	0.613	31%	0.314	S	S	*	.	H	α-helix	trans	-64.6	-38.5	178.2	-171.1	142.6	0	0	0	111.5	K317 T319 S325	K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 PolarHBondContact O-N 2.73Å; T319-L321 VanDerWaalsContact C-N 3.34Å; T319-L321 PolarHBondContact O-N 3.09Å; L321-S325 WeakPolarHBondContact O-CB 3.42Å; L321-S325 PolarHBondContact O-N 3.45Å; L321-S325 PolarHBondContact O-OG 2.99Å
322	L	82.1	Confident	81.6	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-47.2	176.7	-162.7	64.2	0	0	0	111.5	S318 T319 Q320 S325 A326 Y343 M346 M347	S318-L322 WeakPolarHBondContact O-CB 3.36Å; S318-L322 PolarHBondContact O-N 3.01Å; T319-L322 WeakPolarHBondContact O-CB 3.4Å; T319-L322 PolarHBondContact O-N 3.2Å; Q320-L322 VanDerWaalsContact C-N 3.32Å; Q320-L322 PolarHBondContact O-N 2.86Å; L322-S325 PolarHBondContact O-N 2.91Å; L322-S325 PolarHBondContact O-OG 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 3.04Å; L322-Y343 HydrophobicContact CB-CE2 4.47Å; L322-Y343 HydrophobicContact CD2-CD2 3.89Å; L322-Y343 HydrophobicContact CD2-CE2 3.62Å; L322-Y343 HydrophobicContact CG-CD2 4.42Å; L322-Y343 HydrophobicContact CG-CE2 4.38Å; L322-M346 HydrophobicContact CD1-CB 3.68Å; L322-M346 HydrophobicContact CD1-CE 3.81Å; L322-M346 HydrophobicContact CD2-CB 4.24Å; L322-M346 HydrophobicContact CG-CB 4.02Å; L322-M347 HydrophobicContact CD2-CB 4.17Å
323	I	85.3	Confident	81.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-45.4	179.4	-65.2	172.3	0	0	0	110.7	F302 V304 L310 L315 T319 Q320 S325 L327 Y343	F302-I323 HydrophobicContact CE1-CD1 4.33Å; F302-I323 HydrophobicContact CZ-CD1 3.83Å; F302-I323 HydrophobicContact CZ-CG1 4.05Å; V304-I323 HydrophobicContact CB-CG2 4.39Å; V304-I323 HydrophobicContact CG1-CG2 4.17Å; V304-I323 HydrophobicContact CG2-CD1 3.82Å; V304-I323 HydrophobicContact CG2-CG2 4.41Å; L310-I323 HydrophobicContact CD1-CG2 4.49Å; L310-I323 HydrophobicContact CD2-CB 4.42Å; L310-I323 HydrophobicContact CD2-CG2 4.23Å; L310-I323 HydrophobicContact CG-CG2 4.4Å; L315-I323 HydrophobicContact CD1-CD1 4.17Å; T319-I323 HydrophobicContact CG2-CD1 3.81Å; T319-I323 HydrophobicContact CG2-CG1 4.43Å; T319-I323 VanDerWaalsContact O-CG1 3.32Å; T319-I323 WeakPolarHBondContact O-CG1 3.38Å; T319-I323 PolarHBondContact O-N 3.18Å; Q320-I323 PolarHBondContact O-N 3.41Å; I323-S325 VanDerWaalsContact C-N 3.31Å; I323-S325 PolarHBondContact O-N 3.15Å; I323-L327 HydrophobicContact CG2-CD1 4.38Å; I323-L327 WeakPolarHBondContact O-CA 3.43Å; I323-L327 WeakPolarHBondContact O-CB 3.35Å; I323-L327 PolarHBondContact O-N 2.9Å; I323-Y343 HydrophobicContact CG1-CD2 4.02Å; I323-Y343 HydrophobicContact CG1-CE2 4.19Å
324	K	84.8	Confident	82	Confident	121 Å²	121	57.7 Å²	57.7	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-38	179.9	-172.1	175.9	-177.8	176.9	0	112.7	L310 Q320 L328	L310-K324 HydrophobicContact CD2-CB 4.18Å; Q320-K324 VanDerWaalsContact O-CB 3.3Å; Q320-K324 WeakPolarHBondContact O-CB 3.26Å; Q320-K324 PolarHBondContact O-N 2.96Å; K324-L328 VanDerWaalsContact O-CA 3.25Å; K324-L328 WeakPolarHBondContact O-CA 3.31Å; K324-L328 PolarHBondContact O-N 2.82Å
325	S	80.7	Confident	82.5	Confident	20 Å²	20	49.3 Å²	49.3	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-77.2	-47.9	178.6	52.1	0	0	0	0	112.2	Y54 L321 L322 I323	Y54-S325 WeakPolarHBondContact CD2-O 3.24Å; Y54-S325 WeakPolarHBondContact CE2-O 3.4Å; L321-S325 WeakPolarHBondContact O-CB 3.42Å; L321-S325 PolarHBondContact O-N 3.45Å; L321-S325 PolarHBondContact O-OG 2.99Å; L322-S325 PolarHBondContact O-N 2.91Å; L322-S325 PolarHBondContact O-OG 3.3Å; I323-S325 VanDerWaalsContact C-N 3.31Å; I323-S325 PolarHBondContact O-N 3.15Å
326	A	77.9	Confident	82.8	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-74.2	-37.3	-174.2	0	0	0	0	0	113.9	L51 L322 M346	L51-A326 HydrophobicContact CD2-CB 4.03Å; L322-A326 WeakPolarHBondContact O-CB 3.41Å; L322-A326 PolarHBondContact O-N 3.04Å; A326-M346 HydrophobicContact CB-CB 4.48Å; A326-M346 HydrophobicContact CB-CG 3.69Å
327	L	83	Confident	83.1	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.042	23%	0.232	C	C	.	.	S	Bend	trans	-122.8	14.5	-168.4	-61.6	163.2	0	0	0	111.9	F302 I323 G329 E330 T331 L334 T339 A342	F302-L327 HydrophobicContact CE1-CD1 4.47Å; F302-L327 HydrophobicContact CZ-CD1 4.27Å; I323-L327 HydrophobicContact CG2-CD1 4.38Å; I323-L327 WeakPolarHBondContact O-CA 3.43Å; I323-L327 WeakPolarHBondContact O-CB 3.35Å; I323-L327 PolarHBondContact O-N 2.9Å; L327-G329 PolarHBondContact O-N 3.11Å; L327-E330 PolarHBondContact O-N 2.98Å; L327-E330 VanDerWaalsContact O-O 3.05Å; L327-T331 HydrophobicContact CB-CG2 4.32Å; L327-T331 HydrophobicContact CD1-CG2 4.02Å; L327-L334 HydrophobicContact CD2-CD1 3.71Å; L327-T339 HydrophobicContact CD1-CG2 3.6Å; L327-T339 HydrophobicContact CD2-CG2 4.4Å; L327-A342 HydrophobicContact CD2-CB 3.95Å
328	L	77.8	Confident	83.3	Confident	128 Å²	128	36.7 Å²	36.7	67%	0.67	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	8.9	-178.2	-61	167.9	0	0	0	115.1	K324	K324-L328 VanDerWaalsContact O-CA 3.25Å; K324-L328 WeakPolarHBondContact O-CA 3.31Å; K324-L328 PolarHBondContact O-N 2.82Å
329	G	72.1	Confident	83.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-1.2	-178.6	0	0	0	0	0	115.6	F307 L310 L327	F307-G329 VanDerWaalsContact CA-O 3.3Å; F307-G329 WeakPolarHBondContact CA-O 3.33Å; F307-G329 PolarHBondContact N-O 3.3Å; L310-G329 WeakPolarHBondContact CD1-O 3.44Å; L327-G329 PolarHBondContact O-N 3.11Å
330	E	78	Confident	84.2	Confident	97 Å²	97	32.9 Å²	32.9	45%	0.453	17%	0.168	S	C	.	.			trans	-131.9	130.1	178.6	-69.4	179.4	-179.4	0	0	110.2	F307 L327 H332	F307-E330 HydrophobicContact CB-CG 4.25Å; L327-E330 PolarHBondContact O-N 2.98Å; L327-E330 VanDerWaalsContact O-O 3.05Å; E330-H332 IonicContact OE2-CE1 3.78Å; E330-H332 PolarHBondContact OE2-CE1 3.05Å; E330-H332 VanDerWaalsContact OE2-CE1 3.27Å; E330-H332 IonicContact OE2-ND1 3.78Å
331	T	84.3	Confident	84.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.			trans	-118.3	1.6	-174.3	77.9	0	0	0	0	113.6	R300 F302 V304 L305 L327 S333 L334 T339	R300-T331 PolarHBondContact NH2-OG1 2.83Å; F302-T331 HydrophobicContact CE1-CG2 4.03Å; V304-T331 HydrophobicContact CG1-CG2 4.34Å; V304-T331 PolarHBondContact O-OG1 3.42Å; L305-T331 WeakPolarHBondContact CA-OG1 3.5Å; L305-T331 PolarHBondContact O-N 2.84Å; L327-T331 HydrophobicContact CB-CG2 4.32Å; L327-T331 HydrophobicContact CD1-CG2 4.02Å; T331-S333 PolarHBondContact O-N 2.89Å; T331-L334 PolarHBondContact O-N 2.97Å; T331-L334 VanDerWaalsContact O-N 3.15Å; T331-L334 VanDerWaalsContact O-O 3.07Å; T331-T339 HydrophobicContact CG2-CG2 3.57Å
332	H	85.9	Confident	84.8	Confident	50 Å²	50	24.7 Å²	24.7	23%	0.231	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.5	-178.8	68.2	-86.9	0	0	0	113.2	P278 I279 S280 L305 E330 L334	P278-H332 CarbonylContact C-O 3.48Å; I279-H332 CarbonylContact C-O 3.59Å; I279-H332 HydrophobicContact CB-CB 4.35Å; I279-H332 PolarHBondContact N-O 2.94Å; S280-H332 PolarHBondContact N-O 3.19Å; L305-H332 HydrophobicContact CD1-CB 3.91Å; L305-H332 HydrophobicContact CG-CB 4.4Å; L305-H332 PolarHBondContact O-N 2.87Å; E330-H332 IonicContact OE2-CE1 3.78Å; E330-H332 PolarHBondContact OE2-CE1 3.05Å; E330-H332 VanDerWaalsContact OE2-CE1 3.27Å; E330-H332 IonicContact OE2-ND1 3.78Å; H332-L334 VanDerWaalsContact C-N 3.32Å
333	S	85.8	Confident	85.1	Confident	60 Å²	60	24.9 Å²	24.9	42%	0.42	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.3	178.8	58.9	0	0	0	0	114.6	T331	T331-S333 PolarHBondContact O-N 2.89Å
334	L	87.9	Confident	85.3	Confident	17 Å²	17	24.9 Å²	24.9	9%	0.089	13%	0.128	C	C	.	.	S	Bend	trans	-116.4	145.4	-177.2	-64.1	171	0	0	0	110.3	L47 L327 T331 H332 V338	L47-L334 HydrophobicContact CD1-CD1 3.99Å; L47-L334 HydrophobicContact CD1-CD2 4.03Å; L47-L334 HydrophobicContact CD2-CD1 4.04Å; L47-L334 HydrophobicContact CD2-CD2 4.46Å; L47-L334 HydrophobicContact CG-CD2 4.46Å; L327-L334 HydrophobicContact CD2-CD1 3.71Å; T331-L334 PolarHBondContact O-N 2.97Å; T331-L334 VanDerWaalsContact O-N 3.15Å; T331-L334 VanDerWaalsContact O-O 3.07Å; H332-L334 VanDerWaalsContact C-N 3.32Å; L334-V338 HydrophobicContact CD2-CG1 4.46Å
335	P	88.5	Confident	85.5	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.013	10%	0.103	C	C	.	.			trans	-56.9	148.6	166.1	-21.9	33.6	0	0	0	110.7	L43 P278 R337 V338 T339	L43-P335 HydrophobicContact CD1-CG 4.11Å; P278-P335 HydrophobicContact CG-CG 4.06Å; P335-R337 VanDerWaalsContact C-N 3.33Å; P335-R337 PolarHBondContact O-N 3.25Å; P335-V338 HydrophobicContact CB-CB 4.36Å; P335-V338 HydrophobicContact CB-CG2 4.02Å; P335-V338 HydrophobicContact CG-CG2 4.02Å; P335-V338 PolarHBondContact O-N 3.03Å; P335-T339 PolarHBondContact O-N 3.22Å; P335-T339 PolarHBondContact O-OG1 3.16Å
336	E	89.2	Confident	85.8	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-44.8	-178.3	-169.9	172.4	-175.3	0	0	112	P275 R300 Q301 F302 V338 T339 I340	P275-E336 PolarHBondContact O-N 3.09Å; P275-E336 VanDerWaalsContact O-N 3.09Å; R300-E336 HydrophobicContact CG-CG 4.21Å; R300-E336 WeakPolarHBondContact CG-OE1 3.36Å; R300-E336 WeakPolarHBondContact CG-OE2 3.46Å; R300-E336 VanDerWaalsContact NH1-CB 3.33Å; R300-E336 IonicContact NH1-OE2 3.56Å; Q301-E336 WeakPolarHBondContact CA-OE1 3.42Å; Q301-E336 PolarHBondContact N-OE1 3.11Å; F302-E336 HydrophobicContact CB-CG 4.08Å; F302-E336 PolarHBondContact N-OE1 3.45Å; E336-V338 VanDerWaalsContact C-N 3.29Å; E336-V338 PolarHBondContact O-N 3.43Å; E336-T339 CarbonylContact O-C 3.49Å; E336-T339 WeakPolarHBondContact O-CA 3.17Å; E336-T339 WeakPolarHBondContact O-CB 3.36Å; E336-T339 PolarHBondContact O-N 3.27Å; E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 HydrophobicContact CG-CG1 4.32Å; E336-I340 WeakPolarHBondContact O-CG1 3.5Å; E336-I340 PolarHBondContact O-N 3.29Å
337	R	88.1	Confident	86.2	Confident	5 Å²	5	18.2 Å²	18.2	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-36.1	-179.2	-63.3	-163.9	-70	164.7	-7.3	112.4	F33 L96 I119 P275 D276 P335 T339 I340 S341	F33-R337 VanDerWaalsContact CG-NH2 3.29Å; F33-R337 HydrophobicContact CZ-CB 4.23Å; L96-R337 HydrophobicContact CD2-CB 4Å; I119-R337 HydrophobicContact CG2-CB 3.99Å; I119-R337 HydrophobicContact CG2-CG 3.83Å; I119-R337 PolarHBondContact O-NH1 3.3Å; P275-R337 HydrophobicContact CB-CG 3.82Å; P275-R337 PolarHBondContact O-N 3.18Å; D276-R337 VanDerWaalsContact CG-NH2 3.33Å; D276-R337 IonicContact OD1-CZ 2.69Å; D276-R337 IonicContact OD1-NE 3.35Å; D276-R337 PolarHBondContact OD1-NE 3.35Å; D276-R337 IonicContact OD1-NH2 3.44Å; D276-R337 PolarHBondContact OD1-NH2 3.06Å; D276-R337 IonicContact OD2-NH2 2.71Å; D276-R337 PolarHBondContact OD2-NH2 3.41Å; P335-R337 VanDerWaalsContact C-N 3.33Å; P335-R337 PolarHBondContact O-N 3.25Å; R337-T339 VanDerWaalsContact C-N 3.34Å; R337-I340 PolarHBondContact O-N 3.42Å; R337-S341 WeakPolarHBondContact O-CB 3.4Å; R337-S341 PolarHBondContact O-N 2.67Å; R337-S341 PolarHBondContact O-OG 3.04Å
338	V	88.5	Confident	86.4	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-43.6	172.5	179.1	0	0	0	0	109.8	F33 L40 F44 L47 L334 P335 E336 I340 S341 A342	F33-V338 HydrophobicContact CZ-CG2 4.38Å; L40-V338 HydrophobicContact CD2-CG2 3.8Å; F44-V338 HydrophobicContact CE1-CG1 4.16Å; F44-V338 HydrophobicContact CE2-CG2 4.29Å; F44-V338 HydrophobicContact CZ-CG1 4.14Å; F44-V338 HydrophobicContact CZ-CG2 4.37Å; L47-V338 HydrophobicContact CD1-CG1 3.75Å; L334-V338 HydrophobicContact CD2-CG1 4.46Å; P335-V338 HydrophobicContact CB-CB 4.36Å; P335-V338 HydrophobicContact CB-CG2 4.02Å; P335-V338 HydrophobicContact CG-CG2 4.02Å; P335-V338 PolarHBondContact O-N 3.03Å; E336-V338 VanDerWaalsContact C-N 3.29Å; E336-V338 PolarHBondContact O-N 3.43Å; V338-I340 PolarHBondContact O-N 3Å; V338-S341 WeakPolarHBondContact CA-OG 3.26Å; V338-S341 PolarHBondContact O-N 3.41Å; V338-S341 PolarHBondContact O-OG 3.06Å; V338-A342 WeakPolarHBondContact O-CB 3.49Å; V338-A342 PolarHBondContact O-N 3.17Å
339	T	90	Very high	86.7	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.2	-48.1	175.7	-53.3	0	0	0	0	112.3	F302 L327 T331 P335 E336 R337 S341 A342 Y343	F302-T339 HydrophobicContact CD1-CG2 3.68Å; F302-T339 HydrophobicContact CE1-CG2 3.55Å; F302-T339 HydrophobicContact CE2-CG2 4.45Å; F302-T339 HydrophobicContact CG-CG2 4.18Å; F302-T339 HydrophobicContact CZ-CG2 3.97Å; L327-T339 HydrophobicContact CD1-CG2 3.6Å; L327-T339 HydrophobicContact CD2-CG2 4.4Å; T331-T339 HydrophobicContact CG2-CG2 3.57Å; P335-T339 PolarHBondContact O-N 3.22Å; P335-T339 PolarHBondContact O-OG1 3.16Å; E336-T339 CarbonylContact O-C 3.49Å; E336-T339 WeakPolarHBondContact O-CA 3.17Å; E336-T339 WeakPolarHBondContact O-CB 3.36Å; E336-T339 PolarHBondContact O-N 3.27Å; R337-T339 VanDerWaalsContact C-N 3.34Å; T339-S341 VanDerWaalsContact C-N 3.34Å; T339-S341 PolarHBondContact O-N 2.9Å; T339-A342 PolarHBondContact O-N 2.99Å; T339-Y343 WeakPolarHBondContact O-CB 3.3Å; T339-Y343 PolarHBondContact O-N 3.23Å
340	I	90.9	Very high	87.2	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-46	176.5	-66.8	173.6	0	0	0	110.2	I119 I140 F302 E336 R337 V338 Y343 M344 W398	I119-I340 HydrophobicContact CD1-CB 4.23Å; I119-I340 HydrophobicContact CD1-CG2 3.6Å; I119-I340 HydrophobicContact CG1-CG2 3.98Å; I119-I340 HydrophobicContact CG2-CB 4.49Å; I119-I340 HydrophobicContact CG2-CD1 4.42Å; I119-I340 HydrophobicContact CG2-CG2 4.2Å; I140-I340 HydrophobicContact CB-CG2 4.44Å; I140-I340 HydrophobicContact CD1-CG2 3.78Å; I140-I340 HydrophobicContact CG2-CD1 4.17Å; I140-I340 HydrophobicContact CG2-CG2 3.84Å; F302-I340 HydrophobicContact CB-CG1 4.21Å; F302-I340 HydrophobicContact CD2-CG1 4.04Å; F302-I340 HydrophobicContact CG-CG1 4.46Å; E336-I340 HydrophobicContact CG-CD1 3.99Å; E336-I340 HydrophobicContact CG-CG1 4.32Å; E336-I340 WeakPolarHBondContact O-CG1 3.5Å; E336-I340 PolarHBondContact O-N 3.29Å; R337-I340 PolarHBondContact O-N 3.42Å; V338-I340 PolarHBondContact O-N 3Å; I340-Y343 WeakPolarHBondContact O-CB 3.31Å; I340-Y343 PolarHBondContact O-N 2.91Å; I340-M344 HydrophobicContact CG2-CG 4.4Å; I340-M344 WeakPolarHBondContact O-CB 3.49Å; I340-M344 VanDerWaalsContact O-CG 3.31Å; I340-M344 WeakPolarHBondContact O-CG 3.34Å; I340-M344 PolarHBondContact O-N 3.04Å; I340-W398 HydrophobicContact CB-CH2 4.41Å; I340-W398 HydrophobicContact CB-CZ3 4.47Å; I340-W398 HydrophobicContact CD1-CZ3 4.16Å; I340-W398 HydrophobicContact CG1-CH2 4.24Å; I340-W398 HydrophobicContact CG1-CZ3 3.87Å; I340-W398 HydrophobicContact CG2-CH2 3.76Å; I340-W398 HydrophobicContact CG2-CZ3 3.94Å
341	S	90.2	Very high	87.5	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.4	-42.8	-179.9	72.8	0	0	0	0	112.2	F44 L94 R337 V338 T339 Y343 M344 I345	F44-S341 WeakPolarHBondContact CE1-OG 3.44Å; F44-S341 WeakPolarHBondContact CZ-OG 3.36Å; L94-S341 WeakPolarHBondContact CD2-O 3.48Å; R337-S341 WeakPolarHBondContact O-CB 3.4Å; R337-S341 PolarHBondContact O-N 2.67Å; R337-S341 PolarHBondContact O-OG 3.04Å; V338-S341 WeakPolarHBondContact CA-OG 3.26Å; V338-S341 PolarHBondContact O-N 3.41Å; V338-S341 PolarHBondContact O-OG 3.06Å; T339-S341 VanDerWaalsContact C-N 3.34Å; T339-S341 PolarHBondContact O-N 2.9Å; S341-Y343 VanDerWaalsContact C-N 3.33Å; S341-Y343 PolarHBondContact O-N 2.89Å; S341-M344 PolarHBondContact O-N 3.24Å; S341-I345 WeakPolarHBondContact O-CB 3.1Å; S341-I345 WeakPolarHBondContact O-CG1 3.4Å; S341-I345 PolarHBondContact O-N 3.05Å
342	A	89.3	Confident	87.5	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.3	-42.1	175.7	0	0	0	0	0	111.6	L51 L327 V338 T339 I345 M346	L51-A342 HydrophobicContact CD1-CB 4.1Å; L51-A342 HydrophobicContact CD2-CB 4.13Å; L327-A342 HydrophobicContact CD2-CB 3.95Å; V338-A342 WeakPolarHBondContact O-CB 3.49Å; V338-A342 PolarHBondContact O-N 3.17Å; T339-A342 PolarHBondContact O-N 2.99Å; A342-I345 PolarHBondContact O-N 3.42Å; A342-M346 WeakPolarHBondContact O-CG 3.43Å; A342-M346 PolarHBondContact O-N 2.94Å; A342-M346 VanDerWaalsContact O-N 3.16Å
343	Y	89	Confident	87.2	Confident	8 Å²	8	7.5 Å²	7.5	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-60.4	-46.8	173	175.1	-98.7	0	0	0	111.8	F302 T319 L322 I323 T339 I340 S341 M346 M347 F397 W398	F302-Y343 HydrophobicContact CE2-CD1 4.43Å; F302-Y343 HydrophobicContact CE2-CD2 4.31Å; F302-Y343 AromaticContact CE2-CG 3.99Å; F302-Y343 HydrophobicContact CE2-CG 3.99Å; F302-Y343 HydrophobicContact CZ-CD2 4.46Å; F302-Y343 HydrophobicContact CZ-CG 4.49Å; T319-Y343 HydrophobicContact CG2-CE2 3.95Å; L322-Y343 HydrophobicContact CB-CE2 4.47Å; L322-Y343 HydrophobicContact CD2-CD2 3.89Å; L322-Y343 HydrophobicContact CD2-CE2 3.62Å; L322-Y343 HydrophobicContact CG-CD2 4.42Å; L322-Y343 HydrophobicContact CG-CE2 4.38Å; I323-Y343 HydrophobicContact CG1-CD2 4.02Å; I323-Y343 HydrophobicContact CG1-CE2 4.19Å; T339-Y343 WeakPolarHBondContact O-CB 3.3Å; T339-Y343 PolarHBondContact O-N 3.23Å; I340-Y343 WeakPolarHBondContact O-CB 3.31Å; I340-Y343 PolarHBondContact O-N 2.91Å; S341-Y343 VanDerWaalsContact C-N 3.33Å; S341-Y343 PolarHBondContact O-N 2.89Å; Y343-M346 PolarHBondContact O-N 3.38Å; Y343-M347 HydrophobicContact CE1-SD 4.23Å; Y343-M347 VanDerWaalsContact O-CB 3.31Å; Y343-M347 WeakPolarHBondContact O-CB 3.16Å; Y343-M347 PolarHBondContact O-N 3.13Å; Y343-F397 HydrophobicContact CE1-CE1 4.26Å; Y343-W398 AromaticContact CD1-CH2 3.82Å; Y343-W398 HydrophobicContact CD1-CH2 3.82Å; Y343-W398 AromaticContact CD1-CZ2 3.72Å; Y343-W398 HydrophobicContact CD1-CZ2 3.72Å; Y343-W398 HydrophobicContact CE1-CH2 4.17Å; Y343-W398 AromaticContact CE1-CZ2 3.73Å; Y343-W398 HydrophobicContact CE1-CZ2 3.73Å
344	M	89.6	Confident	86.9	Confident	0 Å²	0	10 Å²	10	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.9	-31.8	-179.6	-71.5	-59.2	-66.1	0	0	113.2	L94 V117 I140 I340 S341 M347 G348 L389 W398	L94-M344 HydrophobicContact CD2-CB 3.44Å; L94-M344 VanDerWaalsContact CD2-CB 3.44Å; V117-M344 HydrophobicContact CB-CE 4.48Å; V117-M344 HydrophobicContact CG1-CE 3.97Å; V117-M344 HydrophobicContact CG1-CG 4.22Å; V117-M344 HydrophobicContact CG2-CE 3.65Å; I140-M344 HydrophobicContact CD1-CE 4.24Å; I140-M344 HydrophobicContact CD1-CG 3.69Å; I140-M344 HydrophobicContact CD1-SD 3.93Å; I340-M344 HydrophobicContact CG2-CG 4.4Å; I340-M344 WeakPolarHBondContact O-CB 3.49Å; I340-M344 VanDerWaalsContact O-CG 3.31Å; I340-M344 WeakPolarHBondContact O-CG 3.34Å; I340-M344 PolarHBondContact O-N 3.04Å; S341-M344 PolarHBondContact O-N 3.24Å; M344-M347 HydrophobicContact CE-SD 4.27Å; M344-M347 PolarHBondContact O-N 3.49Å; M344-M347 HydrophobicContact SD-SD 3.85Å; M344-G348 PolarHBondContact O-N 3.2Å; M344-L389 HydrophobicContact CE-CD1 3.73Å; M344-L389 HydrophobicContact CE-CD2 4.1Å; M344-L389 HydrophobicContact CE-CG 3.97Å; M344-W398 HydrophobicContact CG-CZ2 4.34Å; M344-W398 HydrophobicContact SD-CZ2 3.85Å
345	I	88.7	Confident	86.6	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-50.8	172.7	-75.1	165.9	0	0	0	110	Q25 V27 F44 L51 F70 F72 L94 S341 A342 M347 G348 S349	Q25-I345 PolarHBondContact NE2-O 2.86Å; Q25-I345 PolarHBondContact OE1-O 3.31Å; V27-I345 HydrophobicContact CG2-CD1 3.73Å; V27-I345 HydrophobicContact CG2-CG1 4.42Å; F44-I345 HydrophobicContact CE1-CD1 4.44Å; L51-I345 HydrophobicContact CD1-CD1 4.47Å; F70-I345 HydrophobicContact CE1-CG2 3.75Å; F70-I345 HydrophobicContact CZ-CG2 3.66Å; F72-I345 HydrophobicContact CD2-CD1 4.47Å; L94-I345 HydrophobicContact CD1-CG1 3.77Å; L94-I345 HydrophobicContact CD2-CG1 4.03Å; S341-I345 WeakPolarHBondContact O-CB 3.1Å; S341-I345 WeakPolarHBondContact O-CG1 3.4Å; S341-I345 PolarHBondContact O-N 3.05Å; A342-I345 PolarHBondContact O-N 3.42Å; I345-M347 VanDerWaalsContact C-N 3.33Å; I345-M347 PolarHBondContact O-N 2.85Å; I345-G348 PolarHBondContact O-N 3.49Å; I345-S349 PolarHBondContact O-N 3.26Å
346	M	86.7	Confident	86	Confident	2 Å²	2	10 Å²	10	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-65.3	-36.6	179.2	-76.9	-66.6	-57	0	0	112.7	L51 A55 L322 A326 A342 Y343 S349 Q350	L51-M346 HydrophobicContact CD2-CG 3.7Å; L51-M346 HydrophobicContact CD2-SD 4.21Å; A55-M346 HydrophobicContact CB-SD 4.06Å; L322-M346 HydrophobicContact CD1-CB 3.68Å; L322-M346 HydrophobicContact CD1-CE 3.81Å; L322-M346 HydrophobicContact CD2-CB 4.24Å; L322-M346 HydrophobicContact CG-CB 4.02Å; A326-M346 HydrophobicContact CB-CB 4.48Å; A326-M346 HydrophobicContact CB-CG 3.69Å; A342-M346 WeakPolarHBondContact O-CG 3.43Å; A342-M346 PolarHBondContact O-N 2.94Å; A342-M346 VanDerWaalsContact O-N 3.16Å; Y343-M346 PolarHBondContact O-N 3.38Å; M346-S349 PolarHBondContact O-OG 3.21Å; M346-Q350 WeakPolarHBondContact O-CG 3.37Å; M346-Q350 PolarHBondContact O-N 3.41Å
347	M	87	Confident	85.2	Confident	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-67.7	-42.7	173.8	-172.1	-173.1	169.9	0	0	111.6	L322 Y343 M344 I345 S349 Q350 I351 L389 R392	L322-M347 HydrophobicContact CD2-CB 4.17Å; Y343-M347 HydrophobicContact CE1-SD 4.23Å; Y343-M347 VanDerWaalsContact O-CB 3.31Å; Y343-M347 WeakPolarHBondContact O-CB 3.16Å; Y343-M347 PolarHBondContact O-N 3.13Å; M344-M347 HydrophobicContact CE-SD 4.27Å; M344-M347 PolarHBondContact O-N 3.49Å; M344-M347 HydrophobicContact SD-SD 3.85Å; I345-M347 VanDerWaalsContact C-N 3.33Å; I345-M347 PolarHBondContact O-N 2.85Å; M347-S349 VanDerWaalsContact C-N 3.31Å; M347-S349 PolarHBondContact O-N 2.97Å; M347-Q350 PolarHBondContact O-N 3.2Å; M347-I351 HydrophobicContact CE-CD1 4.05Å; M347-I351 HydrophobicContact CG-CD1 4.18Å; M347-I351 WeakPolarHBondContact O-CG1 3.46Å; M347-I351 PolarHBondContact O-N 2.93Å; M347-I351 VanDerWaalsContact O-N 3.11Å; M347-L389 HydrophobicContact CE-CD1 4Å; M347-L389 WeakPolarHBondContact CE-O 3.35Å; M347-L389 HydrophobicContact CG-CD1 4.28Å; M347-L389 HydrophobicContact SD-CD1 4.04Å; M347-R392 HydrophobicContact CE-CB 3.33Å; M347-R392 HydrophobicContact CE-CG 3.46Å; M347-R392 VanDerWaalsContact CE-CG 3.46Å
348	G	87.7	Confident	84.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-33.9	176.2	0	0	0	0	0	112.9	M344 I345 I351 A352	M344-G348 PolarHBondContact O-N 3.2Å; I345-G348 PolarHBondContact O-N 3.49Å; G348-I351 PolarHBondContact O-N 3.11Å; G348-A352 WeakPolarHBondContact O-CB 3.19Å; G348-A352 PolarHBondContact O-N 3.3Å
349	S	83.8	Confident	83.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.9	-39.8	178	73	0	0	0	0	111.5	Q25 F70 I345 M346 M347 A352 T353	Q25-S349 VanDerWaalsContact NE2-N 3.12Å; F70-S349 VanDerWaalsContact CE2-CB 3.42Å; I345-S349 PolarHBondContact O-N 3.26Å; M346-S349 PolarHBondContact O-OG 3.21Å; M347-S349 VanDerWaalsContact C-N 3.31Å; M347-S349 PolarHBondContact O-N 2.97Å; S349-A352 PolarHBondContact O-N 3.07Å; S349-T353 WeakPolarHBondContact O-CB 3.14Å; S349-T353 PolarHBondContact O-N 3.22Å; S349-T353 PolarHBondContact O-OG1 3.49Å
350	Q	82.8	Confident	82.8	Confident	42 Å²	42	25.9 Å²	25.9	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-38	174.2	-66.7	-174.4	-7	0	0	112.3	M346 M347 T353 Y354	M346-Q350 WeakPolarHBondContact O-CG 3.37Å; M346-Q350 PolarHBondContact O-N 3.41Å; M347-Q350 PolarHBondContact O-N 3.2Å; Q350-T353 PolarHBondContact O-N 2.99Å; Q350-Y354 WeakPolarHBondContact O-CB 3.41Å; Q350-Y354 PolarHBondContact O-N 2.83Å
351	I	84.4	Confident	81.8	Confident	3 Å²	3	30 Å²	30	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-69.7	-41.5	176.3	-70.1	161.2	0	0	0	111.4	M347 G348 T353 Y354 I355 F385 F388 L389	M347-I351 HydrophobicContact CE-CD1 4.05Å; M347-I351 HydrophobicContact CG-CD1 4.18Å; M347-I351 WeakPolarHBondContact O-CG1 3.46Å; M347-I351 PolarHBondContact O-N 2.93Å; M347-I351 VanDerWaalsContact O-N 3.11Å; G348-I351 PolarHBondContact O-N 3.11Å; I351-T353 VanDerWaalsContact C-N 3.3Å; I351-T353 PolarHBondContact O-N 3.49Å; I351-Y354 WeakPolarHBondContact O-CB 3.21Å; I351-Y354 PolarHBondContact O-N 3.14Å; I351-Y354 VanDerWaalsContact O-N 3.16Å; I351-I355 HydrophobicContact CG2-CD1 3.54Å; I351-I355 HydrophobicContact CG2-CG1 4.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.28Å; I351-I355 PolarHBondContact O-N 2.94Å; I351-F385 HydrophobicContact CB-CZ 4.28Å; I351-F385 HydrophobicContact CG2-CD1 4.24Å; I351-F385 HydrophobicContact CG2-CD2 4.06Å; I351-F385 HydrophobicContact CG2-CE1 4.14Å; I351-F385 HydrophobicContact CG2-CE2 3.96Å; I351-F385 HydrophobicContact CG2-CG 4.19Å; I351-F385 HydrophobicContact CG2-CZ 4Å; I351-F388 HydrophobicContact CG2-CB 3.89Å; I351-L389 VanDerWaalsContact CD1-CA 3.49Å; I351-L389 HydrophobicContact CD1-CB 3.94Å; I351-L389 HydrophobicContact CD1-CD1 3.42Å; I351-L389 VanDerWaalsContact CD1-CD1 3.42Å; I351-L389 HydrophobicContact CD1-CG 4.29Å
352	A	82.7	Confident	80.9	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-45.7	174.1	0	0	0	0	0	110.9	L23 G348 S349 Y354 I355 K356 L363 F385	L23-A352 HydrophobicContact CD1-CB 3.84Å; L23-A352 HydrophobicContact CD2-CB 4.08Å; G348-A352 WeakPolarHBondContact O-CB 3.19Å; G348-A352 PolarHBondContact O-N 3.3Å; S349-A352 PolarHBondContact O-N 3.07Å; A352-Y354 VanDerWaalsContact C-N 3.32Å; A352-Y354 PolarHBondContact O-N 2.9Å; A352-I355 PolarHBondContact O-N 3.24Å; A352-K356 WeakPolarHBondContact O-CB 3.28Å; A352-K356 PolarHBondContact O-N 2.95Å; A352-L363 HydrophobicContact CB-CD1 4.37Å; A352-L363 HydrophobicContact CB-CD2 4.28Å; A352-L363 WeakPolarHBondContact O-CD1 3.32Å; A352-F385 HydrophobicContact CB-CE2 3.94Å
353	T	79.7	Confident	79.9	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.055	16%	0.156	C	C	.	.	H	α-helix	trans	-58.1	-44.7	175.1	-55.4	0	0	0	0	111.4	L64 S349 Q350 I351 K356 S357	L64-T353 HydrophobicContact CD1-CG2 3.35Å; L64-T353 WeakPolarHBondContact CD1-O 3.39Å; S349-T353 WeakPolarHBondContact O-CB 3.14Å; S349-T353 PolarHBondContact O-N 3.22Å; S349-T353 PolarHBondContact O-OG1 3.49Å; Q350-T353 PolarHBondContact O-N 2.99Å; I351-T353 VanDerWaalsContact C-N 3.3Å; I351-T353 PolarHBondContact O-N 3.49Å; T353-K356 PolarHBondContact O-N 2.8Å; T353-S357 PolarHBondContact O-N 2.79Å
354	Y	80.3	Confident	79	Confident	114 Å²	114	33 Å²	33	45%	0.447	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-46.9	178.4	-176.3	-108.2	0	0	0	113.1	Q350 I351 A352 K356 S357 F358 F388	Q350-Y354 WeakPolarHBondContact O-CB 3.41Å; Q350-Y354 PolarHBondContact O-N 2.83Å; I351-Y354 WeakPolarHBondContact O-CB 3.21Å; I351-Y354 PolarHBondContact O-N 3.14Å; I351-Y354 VanDerWaalsContact O-N 3.16Å; A352-Y354 VanDerWaalsContact C-N 3.32Å; A352-Y354 PolarHBondContact O-N 2.9Å; Y354-K356 VanDerWaalsContact C-N 3.28Å; Y354-K356 PolarHBondContact O-N 3.09Å; Y354-S357 WeakPolarHBondContact O-CB 3.34Å; Y354-S357 PolarHBondContact O-N 3.13Å; Y354-S357 VanDerWaalsContact O-N 3.08Å; Y354-S357 PolarHBondContact O-OG 3.37Å; Y354-F358 HydrophobicContact CD1-CE2 4.07Å; Y354-F358 AromaticContact CE1-CE2 3.54Å; Y354-F358 HydrophobicContact CE1-CE2 3.54Å; Y354-F358 HydrophobicContact CE1-CZ 4.25Å; Y354-F358 HydrophobicContact CE2-CE2 4.14Å; Y354-F358 AromaticContact CZ-CE2 3.56Å; Y354-F358 AromaticContact CZ-CZ 3.91Å; Y354-F358 WeakPolarHBondContact O-CD2 3.32Å; Y354-F388 HydrophobicContact CD1-CE1 4.34Å; Y354-F388 HydrophobicContact CD1-CE2 4.32Å; Y354-F388 HydrophobicContact CD1-CZ 4.26Å; Y354-F388 HydrophobicContact CE1-CD1 4.19Å; Y354-F388 AromaticContact CE1-CE1 3.63Å; Y354-F388 HydrophobicContact CE1-CE1 3.63Å; Y354-F388 HydrophobicContact CE1-CE2 4.06Å; Y354-F388 AromaticContact CE1-CZ 3.58Å; Y354-F388 HydrophobicContact CE1-CZ 3.58Å
355	I	80.9	Confident	77.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-34.8	179	-71.2	165.7	0	0	0	111.4	I351 A352 S357 F358 L363 L384 F385 F388	I351-I355 HydrophobicContact CG2-CD1 3.54Å; I351-I355 HydrophobicContact CG2-CG1 4.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.28Å; I351-I355 PolarHBondContact O-N 2.94Å; A352-I355 PolarHBondContact O-N 3.24Å; I355-S357 PolarHBondContact O-N 2.98Å; I355-F358 PolarHBondContact O-N 2.69Å; I355-L363 HydrophobicContact CB-CD1 4.13Å; I355-L363 HydrophobicContact CG2-CD1 4.01Å; I355-L363 HydrophobicContact CG2-CG 4.46Å; I355-L384 HydrophobicContact CG2-CD2 4.4Å; I355-F385 VanDerWaalsContact CD1-CA 3.42Å; I355-F385 HydrophobicContact CD1-CB 3.65Å; I355-F385 HydrophobicContact CD1-CD2 3.46Å; I355-F385 VanDerWaalsContact CD1-CD2 3.46Å; I355-F385 HydrophobicContact CD1-CE2 4.32Å; I355-F385 HydrophobicContact CD1-CG 3.79Å; I355-F388 HydrophobicContact CD1-CD2 4.04Å; I355-F388 HydrophobicContact CG1-CD2 3.91Å; I355-F388 HydrophobicContact CG1-CE2 4.25Å
356	K	75.8	Confident	76.5	Confident	19 Å²	19	38.7 Å²	38.7	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-30.2	175.2	-160.8	122	175	173.3	0	112.5	L64 A352 T353 Y354 F358 N359 L363 D364	L64-K356 HydrophobicContact CD2-CB 3.94Å; L64-K356 HydrophobicContact CD2-CG 3.79Å; A352-K356 WeakPolarHBondContact O-CB 3.28Å; A352-K356 PolarHBondContact O-N 2.95Å; T353-K356 PolarHBondContact O-N 2.8Å; Y354-K356 VanDerWaalsContact C-N 3.28Å; Y354-K356 PolarHBondContact O-N 3.09Å; K356-F358 PolarHBondContact O-N 2.86Å; K356-N359 PolarHBondContact O-N 3.47Å; K356-L363 HydrophobicContact CB-CD1 3.74Å; K356-L363 HydrophobicContact CD-CB 3.93Å; K356-L363 HydrophobicContact CD-CD1 3.97Å; K356-L363 HydrophobicContact CG-CD1 4.43Å; K356-L363 PolarHBondContact NZ-O 3.14Å; K356-D364 IonicContact NZ-OD1 2.71Å; K356-D364 PolarHBondContact NZ-OD1 3Å
357	S	72.8	Confident	75.3	Confident	58 Å²	58	41.8 Å²	41.8	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-23	175.9	79.4	0	0	0	0	113.2	T353 Y354 I355 N359	T353-S357 PolarHBondContact O-N 2.79Å; Y354-S357 WeakPolarHBondContact O-CB 3.34Å; Y354-S357 PolarHBondContact O-N 3.13Å; Y354-S357 VanDerWaalsContact O-N 3.08Å; Y354-S357 PolarHBondContact O-OG 3.37Å; I355-S357 PolarHBondContact O-N 2.98Å; S357-N359 VanDerWaalsContact C-N 3.28Å; S357-N359 PolarHBondContact O-N 3.48Å
358	F	75.2	Confident	74.4	Confident	119 Å²	119	44.2 Å²	44.2	52%	0.522	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	11.7	172.2	-66.2	-79.5	0	0	0	114	Y354 I355 K356 S360	Y354-F358 HydrophobicContact CD1-CE2 4.07Å; Y354-F358 AromaticContact CE1-CE2 3.54Å; Y354-F358 HydrophobicContact CE1-CE2 3.54Å; Y354-F358 HydrophobicContact CE1-CZ 4.25Å; Y354-F358 HydrophobicContact CE2-CE2 4.14Å; Y354-F358 AromaticContact CZ-CE2 3.56Å; Y354-F358 AromaticContact CZ-CZ 3.91Å; Y354-F358 WeakPolarHBondContact O-CD2 3.32Å; I355-F358 PolarHBondContact O-N 2.69Å; K356-F358 PolarHBondContact O-N 2.86Å; F358-S360 VanDerWaalsContact C-N 3.25Å; F358-S360 PolarHBondContact O-N 3.45Å
359	N	71.2	Confident	73.5	Confident	142 Å²	142	46.4 Å²	46.4	76%	0.759	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	35.8	-173.7	-76	-19.2	0	0	0	113.8	K356 S357 T361	K356-N359 PolarHBondContact O-N 3.47Å; S357-N359 VanDerWaalsContact C-N 3.28Å; S357-N359 PolarHBondContact O-N 3.48Å; N359-T361 PolarHBondContact O-N 3.1Å
360	S	69.8	Low	72.9	Confident	20 Å²	20	46.9 Å²	46.9	14%	0.14	27%	0.272	C	S	.	.			trans	-67.1	126.3	175.8	-179.7	0	0	0	0	111.9	F358 Y362	F358-S360 VanDerWaalsContact C-N 3.25Å; F358-S360 PolarHBondContact O-N 3.45Å; S360-Y362 PolarHBondContact O-N 2.91Å; S360-Y362 WeakPolarHBondContact OG-CB 3.27Å; S360-Y362 PolarHBondContact OG-N 3.33Å
361	T	70.3	Confident	72.4	Confident	90 Å²	90	53.7 Å²	53.7	55%	0.552	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-72.5	-15.1	176.5	51.1	0	0	0	0	113.4	N359 L363 D364 V377	N359-T361 PolarHBondContact O-N 3.1Å; T361-L363 PolarHBondContact O-N 3.04Å; T361-D364 PolarHBondContact O-N 3.1Å; T361-V377 VanDerWaalsContact OG1-CG1 3.24Å; T361-V377 WeakPolarHBondContact OG1-CG1 3.48Å
362	Y	71.4	Confident	71.7	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.3	179.8	176.7	-92.5	0	0	0	113.1	H91 P115 S360 D364 R365 G382	H91-Y362 HydrophobicContact CB-CE1 4.27Å; H91-Y362 PolarHBondContact CD2-O 3.49Å; H91-Y362 PolarHBondContact O-OH 3.01Å; P115-Y362 WeakPolarHBondContact CD-OH 3.37Å; S360-Y362 PolarHBondContact O-N 2.91Å; S360-Y362 WeakPolarHBondContact OG-CB 3.27Å; S360-Y362 PolarHBondContact OG-N 3.33Å; Y362-D364 VanDerWaalsContact C-N 3.27Å; Y362-D364 PolarHBondContact O-N 3.33Å; Y362-R365 WeakPolarHBondContact O-CG 3.36Å; Y362-R365 PolarHBondContact OH-NH1 3.29Å; Y362-G382 VanDerWaalsContact CE2-CA 3.41Å; Y362-G382 VanDerWaalsContact CE2-N 3.27Å
363	L	68.3	Low	70.8	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-86.8	9	-178.4	-64.9	174	0	0	0	114.1	L23 H91 A352 I355 K356 T361	L23-L363 HydrophobicContact CD2-CB 4.31Å; L23-L363 HydrophobicContact CD2-CD1 4.38Å; L23-L363 HydrophobicContact CD2-CD2 4.17Å; H91-L363 HydrophobicContact CB-CD2 3.97Å; H91-L363 WeakPolarHBondContact NE2-CA 3.42Å; H91-L363 PolarHBondContact NE2-O 3.13Å; A352-L363 HydrophobicContact CB-CD1 4.37Å; A352-L363 HydrophobicContact CB-CD2 4.28Å; A352-L363 WeakPolarHBondContact O-CD1 3.32Å; I355-L363 HydrophobicContact CB-CD1 4.13Å; I355-L363 HydrophobicContact CG2-CD1 4.01Å; I355-L363 HydrophobicContact CG2-CG 4.46Å; K356-L363 HydrophobicContact CB-CD1 3.74Å; K356-L363 HydrophobicContact CD-CB 3.93Å; K356-L363 HydrophobicContact CD-CD1 3.97Å; K356-L363 HydrophobicContact CG-CD1 4.43Å; K356-L363 PolarHBondContact NZ-O 3.14Å; T361-L363 PolarHBondContact O-N 3.04Å
364	D	69.3	Low	70.1	Confident	65 Å²	65	65 Å²	65	35%	0.348	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-106.3	19.6	178	-71.3	-27.6	0	0	0	112.2	R21 K356 T361 Y362 S366	R21-D364 WeakPolarHBondContact CD-OD1 3.39Å; R21-D364 IonicContact CZ-OD1 2.78Å; R21-D364 IonicContact CZ-OD2 2.77Å; R21-D364 IonicContact NE-OD1 3.97Å; R21-D364 IonicContact NH1-OD1 3.94Å; R21-D364 PolarHBondContact NH1-OD1 2.87Å; R21-D364 IonicContact NH1-OD2 3.67Å; R21-D364 PolarHBondContact NH1-OD2 2.97Å; K356-D364 IonicContact NZ-OD1 2.71Å; K356-D364 PolarHBondContact NZ-OD1 3Å; T361-D364 PolarHBondContact O-N 3.1Å; Y362-D364 VanDerWaalsContact C-N 3.27Å; Y362-D364 PolarHBondContact O-N 3.33Å; D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 VanDerWaalsContact O-N 3.14Å
365	R	64.9	Low	69.2	Low	18 Å²	18	63.5 Å²	63.5	7%	0.068	36%	0.362	C	S	.	.			trans	-65.1	106.3	172.6	-69.5	172.4	175.9	-170.4	-3.9	110.3	G89 Y362 I368 D378	G89-R365 WeakPolarHBondContact CA-O 3.45Å; Y362-R365 WeakPolarHBondContact O-CG 3.36Å; Y362-R365 PolarHBondContact OH-NH1 3.29Å; R365-I368 HydrophobicContact CB-CD1 4.36Å; R365-I368 HydrophobicContact CG-CD1 4.13Å; R365-D378 IonicContact CZ-OD1 3.9Å; R365-D378 IonicContact NE-OD1 3.88Å; R365-D378 PolarHBondContact NE-OD1 3.2Å; R365-D378 VanDerWaalsContact NH2-CG 3.31Å; R365-D378 IonicContact NH2-OD1 3.35Å; R365-D378 PolarHBondContact NH2-OD1 3.49Å
366	S	61.4	Low	68.2	Low	103 Å²	103	70.1 Å²	70.1	72%	0.72	40%	0.396	S	S	*	.			trans	-139.3	119.9	163.7	64.4	0	0	0	0	110.2	D364	D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 VanDerWaalsContact O-N 3.14Å
367	G	62.6	Low	67.5	Low	66 Å²	66	72.3 Å²	72.3	68%	0.68	41%	0.411	S	S	*	.	S	Bend	trans	78.4	18.6	175.3	0	0	0	0	0	116	S87	S87-G367 PolarHBondContact O-N 3.28Å
368	I	67.9	Low	67.1	Low	53 Å²	53	70.2 Å²	70.2	27%	0.272	40%	0.395	S	S	.	.			trans	-80.2	130.6	174.3	-59.1	170.5	0	0	0	108.6	R365 Q372 I373	R365-I368 HydrophobicContact CB-CD1 4.36Å; R365-I368 HydrophobicContact CG-CD1 4.13Å; I368-Q372 HydrophobicContact CG2-CB 4.06Å; I368-I373 HydrophobicContact CG2-CG1 4.37Å
369	S	68	Low	66.9	Low	46 Å²	46	66.6 Å²	66.6	32%	0.322	38%	0.381	S	S	.	.			trans	-79.1	150.2	171.7	65.3	0	0	0	0	110.9	H371 Q372	S369-H371 PolarHBondContact O-N 3.49Å; S369-Q372 PolarHBondContact O-N 3.41Å; S369-Q372 VanDerWaalsContact OG-CG 3.29Å; S369-Q372 WeakPolarHBondContact OG-CG 3.38Å; S369-Q372 PolarHBondContact OG-OE1 2.96Å
370	C	71.9	Confident	67	Low	10 Å²	10	66.7 Å²	66.7	7%	0.068	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.7	-176.6	-55	0	0	0	0	114.4	C83 Y112	C83-C370 WeakPolarHBondContact CA-SG 3.41Å; C83-C370 HydrophobicContact CB-CB 4.12Å; C83-C370 WeakPolarHBondContact CB-SG 3.41Å; C83-C370 PolarHBondContact O-SG 3.1Å; C83-C370 VanDerWaalsContact O-SG 3.4Å; C83-C370 WeakPolarHBondContact SG-CB 3.33Å; C83-C370 CovalentContact SG-SG 2.03Å; C83-C370 PolarHBondContact SG-SG 3.15Å; Y112-C370 HydrophobicContact CE1-CB 4.1Å
371	H	71.6	Confident	67.3	Low	184 Å²	184	65.9 Å²	65.9	85%	0.852	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.4	176.6	-56.2	-59.7	0	0	0	113.7	S369	S369-H371 PolarHBondContact O-N 3.49Å
372	Q	68.7	Low	67.9	Low	138 Å²	138	61.6 Å²	61.6	65%	0.645	34%	0.343	S	S	*	.	S	Bend	trans	-108.3	9.8	-174	-70.9	171.7	-26.4	0	0	113.8	I368 S369	I368-Q372 HydrophobicContact CG2-CB 4.06Å; S369-Q372 PolarHBondContact O-N 3.41Å; S369-Q372 VanDerWaalsContact OG-CG 3.29Å; S369-Q372 WeakPolarHBondContact OG-CG 3.38Å; S369-Q372 PolarHBondContact OG-OE1 2.96Å
373	I	65.6	Low	68.4	Low	33 Å²	33	65.1 Å²	65.1	17%	0.169	36%	0.357	C	S	.	.			trans	-67.7	131.7	-178.9	-64.3	167.7	0	0	0	109.4	I86 Y112 I368 P375 D378	I86-I373 HydrophobicContact CD1-CD1 4.47Å; I86-I373 HydrophobicContact CG2-CD1 4.2Å; Y112-I373 HydrophobicContact CD1-CD1 3.3Å; Y112-I373 HydrophobicContact CE1-CD1 3.94Å; Y112-I373 HydrophobicContact CG-CD1 4.07Å; I368-I373 HydrophobicContact CG2-CG1 4.37Å; I373-P375 WeakPolarHBondContact O-CD 3.46Å; I373-D378 HydrophobicContact CG2-CB 3.97Å; I373-D378 VanDerWaalsContact CG2-OD2 3.23Å; I373-D378 WeakPolarHBondContact CG2-OD2 3.39Å
374	N	64	Low	69.1	Low	82 Å²	82	67 Å²	67	44%	0.439	37%	0.366	S	S	.	.			trans	-90.6	107.1	-177.9	-178.7	-10.3	0	0	0	109.5	I376 V377 D378	N374-I376 PolarHBondContact O-N 2.96Å; N374-I376 VanDerWaalsContact O-N 3.07Å; N374-I376 PolarHBondContact OD1-N 3.45Å; N374-V377 PolarHBondContact O-N 2.86Å; N374-D378 PolarHBondContact N-OD2 3.34Å; N374-D378 WeakPolarHBondContact O-CB 3.49Å; N374-D378 PolarHBondContact O-N 2.96Å
375	P	62.3	Low	69.9	Low	84 Å²	84	63.9 Å²	63.9	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-58.1	-32.8	-169.7	20.2	-31	0	0	0	113.5	I373 D379	I373-P375 WeakPolarHBondContact O-CD 3.46Å; P375-D379 WeakPolarHBondContact O-CB 3.45Å; P375-D379 PolarHBondContact O-N 3.35Å; P375-D379 VanDerWaalsContact O-N 3.15Å
376	I	59.2	Low	71	Confident	139 Å²	139	63.8 Å²	63.8	71%	0.713	35%	0.35	S	S	*	.	H	α-helix	trans	-78.4	-45.8	-173.6	-58.3	171.9	0	0	0	112.1	N374	N374-I376 PolarHBondContact O-N 2.96Å; N374-I376 VanDerWaalsContact O-N 3.07Å; N374-I376 PolarHBondContact OD1-N 3.45Å
377	V	61.2	Low	72.2	Confident	65 Å²	65	63.1 Å²	63.1	39%	0.394	34%	0.338	S	S	.	.	H	α-helix	trans	-75.9	-37.5	-177.9	179.3	0	0	0	0	110.7	T361 N374 G381	T361-V377 VanDerWaalsContact OG1-CG1 3.24Å; T361-V377 WeakPolarHBondContact OG1-CG1 3.48Å; N374-V377 PolarHBondContact O-N 2.86Å; V377-G381 PolarHBondContact O-N 3.04Å
378	D	64.7	Low	73.4	Confident	14 Å²	14	62.8 Å²	62.8	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-73.8	-33.7	-178.9	-71.8	-56.2	0	0	0	112.6	R365 I373 N374 G382	R365-D378 IonicContact CZ-OD1 3.9Å; R365-D378 IonicContact NE-OD1 3.88Å; R365-D378 PolarHBondContact NE-OD1 3.2Å; R365-D378 VanDerWaalsContact NH2-CG 3.31Å; R365-D378 IonicContact NH2-OD1 3.35Å; R365-D378 PolarHBondContact NH2-OD1 3.49Å; I373-D378 HydrophobicContact CG2-CB 3.97Å; I373-D378 VanDerWaalsContact CG2-OD2 3.23Å; I373-D378 WeakPolarHBondContact CG2-OD2 3.39Å; N374-D378 PolarHBondContact N-OD2 3.34Å; N374-D378 WeakPolarHBondContact O-CB 3.49Å; N374-D378 PolarHBondContact O-N 2.96Å; D378-G382 PolarHBondContact O-N 3.4Å
379	D	69.7	Low	74.4	Confident	42 Å²	42	60.3 Å²	60.3	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-46.8	175.4	-174.9	69.9	0	0	0	111.6	H113 P375 R383	H113-D379 IonicContact CD2-OD1 3.23Å; H113-D379 IonicContact CE1-OD1 2.78Å; H113-D379 PolarHBondContact CE1-OD1 3.35Å; H113-D379 IonicContact CG-OD1 2.83Å; H113-D379 IonicContact ND1-OD1 3.44Å; H113-D379 PolarHBondContact ND1-OD1 3.44Å; H113-D379 IonicContact NE2-OD1 3.89Å; H113-D379 PolarHBondContact NE2-OD1 3.11Å; P375-D379 WeakPolarHBondContact O-CB 3.45Å; P375-D379 PolarHBondContact O-N 3.35Å; P375-D379 VanDerWaalsContact O-N 3.15Å; D379-R383 VanDerWaalsContact O-CB 3.24Å; D379-R383 WeakPolarHBondContact O-CB 3.4Å; D379-R383 VanDerWaalsContact O-CG 3.23Å; D379-R383 WeakPolarHBondContact O-CG 3.34Å; D379-R383 PolarHBondContact O-N 3.02Å; D379-R383 IonicContact OD1-CZ 3.72Å; D379-R383 VanDerWaalsContact OD1-CZ 3.23Å; D379-R383 IonicContact OD1-NE 2.71Å; D379-R383 PolarHBondContact OD1-NE 3.18Å; D379-R383 IonicContact OD1-NH2 2.68Å; D379-R383 PolarHBondContact OD1-NH2 3.17Å; D379-R383 IonicContact OD2-CZ 3.91Å; D379-R383 IonicContact OD2-NE 3.62Å; D379-R383 PolarHBondContact OD2-NE 3.34Å; D379-R383 IonicContact OD2-NH2 3.73Å
380	F	74.7	Confident	75.2	Confident	145 Å²	145	62.3 Å²	62.3	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-50	179.5	-176.5	-99	0	0	0	111.9	L384	F380-L384 HydrophobicContact CE1-CD2 4.16Å; F380-L384 WeakPolarHBondContact O-CB 3.22Å; F380-L384 PolarHBondContact O-N 3.07Å
381	G	76.3	Confident	75.8	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-41.1	-177.7	0	0	0	0	0	113.7	V377 L384 F385	V377-G381 PolarHBondContact O-N 3.04Å; G381-L384 PolarHBondContact O-N 3.25Å; G381-F385 WeakPolarHBondContact O-CB 3.38Å; G381-F385 PolarHBondContact O-N 2.74Å
382	G	81.4	Confident	76.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-47.3	177.7	0	0	0	0	0	112.5	H113 P115 Y362 D378 L384 F385 Y386	H113-G382 VanDerWaalsContact O-CA 3.27Å; H113-G382 WeakPolarHBondContact O-CA 3.27Å; P115-G382 WeakPolarHBondContact CG-O 3.34Å; Y362-G382 VanDerWaalsContact CE2-CA 3.41Å; Y362-G382 VanDerWaalsContact CE2-N 3.27Å; D378-G382 PolarHBondContact O-N 3.4Å; G382-L384 VanDerWaalsContact C-N 3.34Å; G382-L384 PolarHBondContact O-N 3.45Å; G382-F385 PolarHBondContact O-N 2.72Å; G382-Y386 WeakPolarHBondContact O-CB 3.4Å; G382-Y386 PolarHBondContact O-N 3.08Å
383	R	82.3	Confident	77	Confident	76 Å²	76	59.6 Å²	59.6	29%	0.287	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-39.1	174.6	-71.8	-174.9	-165.8	-97	-8.4	112.1	T133 D379 F385 Y386 N387	T133-R383 PolarHBondContact O-NH1 3.46Å; D379-R383 VanDerWaalsContact O-CB 3.24Å; D379-R383 WeakPolarHBondContact O-CB 3.4Å; D379-R383 VanDerWaalsContact O-CG 3.23Å; D379-R383 WeakPolarHBondContact O-CG 3.34Å; D379-R383 PolarHBondContact O-N 3.02Å; D379-R383 IonicContact OD1-CZ 3.72Å; D379-R383 VanDerWaalsContact OD1-CZ 3.23Å; D379-R383 IonicContact OD1-NE 2.71Å; D379-R383 PolarHBondContact OD1-NE 3.18Å; D379-R383 IonicContact OD1-NH2 2.68Å; D379-R383 PolarHBondContact OD1-NH2 3.17Å; D379-R383 IonicContact OD2-CZ 3.91Å; D379-R383 IonicContact OD2-NE 3.62Å; D379-R383 PolarHBondContact OD2-NE 3.34Å; D379-R383 IonicContact OD2-NH2 3.73Å; R383-F385 VanDerWaalsContact C-N 3.34Å; R383-Y386 PolarHBondContact O-N 3.5Å; R383-N387 VanDerWaalsContact O-CB 3.32Å; R383-N387 WeakPolarHBondContact O-CB 3.44Å; R383-N387 PolarHBondContact O-N 3.09Å; R383-N387 PolarHBondContact O-ND2 3.49Å
384	L	84.4	Confident	77.3	Confident	41 Å²	41	59.2 Å²	59.2	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-46	175.6	-174.4	68.3	0	0	0	110.7	I355 F380 G381 G382 N387 F388	I355-L384 HydrophobicContact CG2-CD2 4.4Å; F380-L384 HydrophobicContact CE1-CD2 4.16Å; F380-L384 WeakPolarHBondContact O-CB 3.22Å; F380-L384 PolarHBondContact O-N 3.07Å; G381-L384 PolarHBondContact O-N 3.25Å; G382-L384 VanDerWaalsContact C-N 3.34Å; G382-L384 PolarHBondContact O-N 3.45Å; L384-N387 PolarHBondContact O-N 2.99Å; L384-F388 HydrophobicContact CD1-CD2 4.02Å; L384-F388 HydrophobicContact CD1-CE2 3.41Å; L384-F388 VanDerWaalsContact CD1-CE2 3.41Å; L384-F388 HydrophobicContact CD1-CZ 4.15Å; L384-F388 HydrophobicContact CD2-CE2 4.19Å; L384-F388 HydrophobicContact CG-CD2 3.87Å; L384-F388 HydrophobicContact CG-CE2 3.57Å; L384-F388 WeakPolarHBondContact O-CD2 3.4Å; L384-F388 PolarHBondContact O-N 2.67Å
385	F	86.1	Confident	77.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-48.8	175.4	-165.3	-67	0	0	0	112.1	L92 P115 I351 A352 I355 G381 G382 R383 N387 F388 L389	L92-F385 HydrophobicContact CB-CE1 4.17Å; L92-F385 HydrophobicContact CB-CZ 4.21Å; L92-F385 HydrophobicContact CD1-CE1 4.14Å; L92-F385 HydrophobicContact CD2-CE1 4.28Å; L92-F385 HydrophobicContact CD2-CZ 4.46Å; L92-F385 HydrophobicContact CG-CE1 4.44Å; P115-F385 HydrophobicContact CB-CD1 3.84Å; P115-F385 HydrophobicContact CB-CE1 4.43Å; P115-F385 HydrophobicContact CG-CB 3.76Å; P115-F385 HydrophobicContact CG-CD1 3.6Å; P115-F385 HydrophobicContact CG-CG 3.89Å; I351-F385 HydrophobicContact CB-CZ 4.28Å; I351-F385 HydrophobicContact CG2-CD1 4.24Å; I351-F385 HydrophobicContact CG2-CD2 4.06Å; I351-F385 HydrophobicContact CG2-CE1 4.14Å; I351-F385 HydrophobicContact CG2-CE2 3.96Å; I351-F385 HydrophobicContact CG2-CG 4.19Å; I351-F385 HydrophobicContact CG2-CZ 4Å; A352-F385 HydrophobicContact CB-CE2 3.94Å; I355-F385 VanDerWaalsContact CD1-CA 3.42Å; I355-F385 HydrophobicContact CD1-CB 3.65Å; I355-F385 HydrophobicContact CD1-CD2 3.46Å; I355-F385 VanDerWaalsContact CD1-CD2 3.46Å; I355-F385 HydrophobicContact CD1-CE2 4.32Å; I355-F385 HydrophobicContact CD1-CG 3.79Å; G381-F385 WeakPolarHBondContact O-CB 3.38Å; G381-F385 PolarHBondContact O-N 2.74Å; G382-F385 PolarHBondContact O-N 2.72Å; R383-F385 VanDerWaalsContact C-N 3.34Å; F385-N387 PolarHBondContact O-N 3.18Å; F385-F388 PolarHBondContact O-N 3.3Å; F385-L389 HydrophobicContact CD1-CB 4.46Å; F385-L389 HydrophobicContact CE1-CD2 4.32Å; F385-L389 VanDerWaalsContact O-CB 3.31Å; F385-L389 WeakPolarHBondContact O-CB 3.24Å; F385-L389 PolarHBondContact O-N 3.5Å
386	Y	87	Confident	78.5	Confident	17 Å²	17	59.4 Å²	59.4	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-46.1	176.3	169	-99	0	0	0	112.2	T136 I138 G382 R383 F388 L389 R390	T136-Y386 VanDerWaalsContact C-CD2 3.4Å; T136-Y386 VanDerWaalsContact C-CE2 3.47Å; T136-Y386 VanDerWaalsContact O-CD2 3.26Å; T136-Y386 WeakPolarHBondContact O-CD2 3.14Å; I138-Y386 HydrophobicContact CD1-CE2 4.47Å; I138-Y386 HydrophobicContact CG1-CD2 4.08Å; I138-Y386 HydrophobicContact CG1-CE2 3.65Å; G382-Y386 WeakPolarHBondContact O-CB 3.4Å; G382-Y386 PolarHBondContact O-N 3.08Å; R383-Y386 PolarHBondContact O-N 3.5Å; Y386-F388 PolarHBondContact O-N 2.79Å; Y386-L389 PolarHBondContact O-N 3.36Å; Y386-R390 VanDerWaalsContact O-CB 3.32Å; Y386-R390 WeakPolarHBondContact O-CB 3.45Å; Y386-R390 PolarHBondContact O-N 3.38Å
387	N	87	Confident	79.7	Confident	88 Å²	88	54.5 Å²	54.5	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-43.4	-179.4	-75.3	-26.4	0	0	0	111.8	R383 L384 F385 H391	R383-N387 VanDerWaalsContact O-CB 3.32Å; R383-N387 WeakPolarHBondContact O-CB 3.44Å; R383-N387 PolarHBondContact O-N 3.09Å; R383-N387 PolarHBondContact O-ND2 3.49Å; L384-N387 PolarHBondContact O-N 2.99Å; F385-N387 PolarHBondContact O-N 3.18Å; N387-H391 VanDerWaalsContact O-CB 3.24Å; N387-H391 WeakPolarHBondContact O-CB 3.47Å; N387-H391 PolarHBondContact O-N 3.45Å
388	F	87.5	Confident	80.8	Confident	60 Å²	60	52.3 Å²	52.3	26%	0.263	25%	0.25	S	C	.	.	H	α-helix	trans	-64.9	-42	174.4	-78.9	-57.7	0	0	0	112.2	I351 Y354 I355 L384 F385 Y386 H391 R392	I351-F388 HydrophobicContact CG2-CB 3.89Å; Y354-F388 HydrophobicContact CD1-CE1 4.34Å; Y354-F388 HydrophobicContact CD1-CE2 4.32Å; Y354-F388 HydrophobicContact CD1-CZ 4.26Å; Y354-F388 HydrophobicContact CE1-CD1 4.19Å; Y354-F388 AromaticContact CE1-CE1 3.63Å; Y354-F388 HydrophobicContact CE1-CE1 3.63Å; Y354-F388 HydrophobicContact CE1-CE2 4.06Å; Y354-F388 AromaticContact CE1-CZ 3.58Å; Y354-F388 HydrophobicContact CE1-CZ 3.58Å; I355-F388 HydrophobicContact CD1-CD2 4.04Å; I355-F388 HydrophobicContact CG1-CD2 3.91Å; I355-F388 HydrophobicContact CG1-CE2 4.25Å; L384-F388 HydrophobicContact CD1-CD2 4.02Å; L384-F388 HydrophobicContact CD1-CE2 3.41Å; L384-F388 VanDerWaalsContact CD1-CE2 3.41Å; L384-F388 HydrophobicContact CD1-CZ 4.15Å; L384-F388 HydrophobicContact CD2-CE2 4.19Å; L384-F388 HydrophobicContact CG-CD2 3.87Å; L384-F388 HydrophobicContact CG-CE2 3.57Å; L384-F388 WeakPolarHBondContact O-CD2 3.4Å; L384-F388 PolarHBondContact O-N 2.67Å; F385-F388 PolarHBondContact O-N 3.3Å; Y386-F388 PolarHBondContact O-N 2.79Å; F388-H391 PolarHBondContact O-N 3.35Å; F388-R392 WeakPolarHBondContact O-CB 3.33Å; F388-R392 PolarHBondContact O-N 2.95Å
389	L	88.2	Confident	81.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-49.2	177	-170.3	66.3	0	0	0	110.8	L92 V117 I138 M344 M347 I351 F385 Y386 H391 R392 S393	L92-L389 HydrophobicContact CD1-CD2 3.74Å; V117-L389 HydrophobicContact CG2-CD2 3.65Å; I138-L389 HydrophobicContact CD1-CB 3.98Å; I138-L389 HydrophobicContact CD1-CD2 3.67Å; I138-L389 HydrophobicContact CD1-CG 3.57Å; M344-L389 HydrophobicContact CE-CD1 3.73Å; M344-L389 HydrophobicContact CE-CD2 4.1Å; M344-L389 HydrophobicContact CE-CG 3.97Å; M347-L389 HydrophobicContact CE-CD1 4Å; M347-L389 WeakPolarHBondContact CE-O 3.35Å; M347-L389 HydrophobicContact CG-CD1 4.28Å; M347-L389 HydrophobicContact SD-CD1 4.04Å; I351-L389 VanDerWaalsContact CD1-CA 3.49Å; I351-L389 HydrophobicContact CD1-CB 3.94Å; I351-L389 HydrophobicContact CD1-CD1 3.42Å; I351-L389 VanDerWaalsContact CD1-CD1 3.42Å; I351-L389 HydrophobicContact CD1-CG 4.29Å; F385-L389 HydrophobicContact CD1-CB 4.46Å; F385-L389 HydrophobicContact CE1-CD2 4.32Å; F385-L389 VanDerWaalsContact O-CB 3.31Å; F385-L389 WeakPolarHBondContact O-CB 3.24Å; F385-L389 PolarHBondContact O-N 3.5Å; Y386-L389 PolarHBondContact O-N 3.36Å; L389-H391 PolarHBondContact O-N 3.44Å; L389-R392 PolarHBondContact O-N 2.99Å; L389-S393 WeakPolarHBondContact O-CA 3.27Å; L389-S393 WeakPolarHBondContact O-CB 3.4Å; L389-S393 PolarHBondContact O-N 3.35Å
390	R	85.5	Confident	82.8	Confident	88 Å²	88	55.4 Å²	55.4	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-45.3	178.1	-177.2	177.6	173.6	-150.6	3	112.6	I138 Y386 G394	I138-R390 HydrophobicContact CD1-CB 4.05Å; Y386-R390 VanDerWaalsContact O-CB 3.32Å; Y386-R390 WeakPolarHBondContact O-CB 3.45Å; Y386-R390 PolarHBondContact O-N 3.38Å; R390-G394 PolarHBondContact O-N 2.86Å
391	H	85.3	Confident	83.6	Confident	160 Å²	160	48.5 Å²	48.5	74%	0.741	23%	0.232	S	C	*	.	H	α-helix	trans	-63.2	-47.8	-179.9	-178	73.4	0	0	0	111.4	N387 F388 L389 G394	N387-H391 VanDerWaalsContact O-CB 3.24Å; N387-H391 WeakPolarHBondContact O-CB 3.47Å; N387-H391 PolarHBondContact O-N 3.45Å; F388-H391 PolarHBondContact O-N 3.35Å; L389-H391 PolarHBondContact O-N 3.44Å; H391-G394 PolarHBondContact O-N 3.28Å
392	R	83.5	Confident	84.4	Confident	110 Å²	110	49.5 Å²	49.5	42%	0.415	24%	0.235	S	C	.	.	H	α-helix	trans	-72.6	-31.6	-178.4	-171.6	-177	-175.9	158	5.3	112.4	M347 F388 L389 G394	M347-R392 HydrophobicContact CE-CB 3.33Å; M347-R392 HydrophobicContact CE-CG 3.46Å; M347-R392 VanDerWaalsContact CE-CG 3.46Å; F388-R392 WeakPolarHBondContact O-CB 3.33Å; F388-R392 PolarHBondContact O-N 2.95Å; L389-R392 PolarHBondContact O-N 2.99Å; R392-G394 PolarHBondContact O-N 3.18Å
393	S	80.7	Confident	85.1	Confident	5 Å²	5	49.5 Å²	49.5	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-30	-178.7	-179	0	0	0	0	110	L389 F397 W398	L389-S393 WeakPolarHBondContact O-CA 3.27Å; L389-S393 WeakPolarHBondContact O-CB 3.4Å; L389-S393 PolarHBondContact O-N 3.35Å; S393-F397 WeakPolarHBondContact O-CB 3.26Å; S393-W398 PolarHBondContact OG-NE1 3.46Å
394	G	72.8	Confident	85.6	Confident	26 Å²	26	45.9 Å²	45.9	27%	0.268	22%	0.222	S	C	.	.			trans	70.3	111.3	175.4	0	0	0	0	0	110.8	R390 H391 R392 N396 F397	R390-G394 PolarHBondContact O-N 2.86Å; H391-G394 PolarHBondContact O-N 3.28Å; R392-G394 PolarHBondContact O-N 3.18Å; G394-N396 PolarHBondContact O-N 3.03Å; G394-F397 WeakPolarHBondContact O-CB 3.47Å; G394-F397 PolarHBondContact O-N 3.44Å
395	T	71.2	Confident	86	Confident	75 Å²	75	43.9 Å²	43.9	46%	0.46	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.8	179.5	52.3	0	0	0	0	113.1	K399	T395-K399 WeakPolarHBondContact O-CD 3.47Å; T395-K399 VanDerWaalsContact O-CG 3.24Å; T395-K399 WeakPolarHBondContact O-CG 3.48Å
396	N	80.1	Confident	86.1	Confident	95 Å²	95	44 Å²	44	51%	0.508	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-25.4	-179.3	-67.7	-0.9	0	0	0	112.9	G394 K399 S400 P424	G394-N396 PolarHBondContact O-N 3.03Å; N396-K399 PolarHBondContact O-N 2.95Å; N396-S400 PolarHBondContact O-OG 2.98Å; N396-S400 VanDerWaalsContact O-OG 3.07Å; N396-P424 HydrophobicContact CB-CB 4.32Å; N396-P424 HydrophobicContact CB-CG 3.87Å
397	F	83.4	Confident	86.1	Confident	36 Å²	36	44 Å²	44	16%	0.158	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-50.1	-179.1	-176.4	-96.1	0	0	0	110.3	P303 L315 T319 Y343 S393 G394	P303-F397 HydrophobicContact CG-CE2 3.79Å; P303-F397 HydrophobicContact CG-CZ 3.63Å; L315-F397 HydrophobicContact CD2-CE2 4.04Å; T319-F397 HydrophobicContact CG2-CE2 4.14Å; T319-F397 HydrophobicContact CG2-CZ 4.41Å; Y343-F397 HydrophobicContact CE1-CE1 4.26Å; S393-F397 WeakPolarHBondContact O-CB 3.26Å; G394-F397 WeakPolarHBondContact O-CB 3.47Å; G394-F397 PolarHBondContact O-N 3.44Å
398	W	85.1	Confident	85.6	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.068	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.8	-179.3	-56.5	110.2	0	0	0	114.7	I140 Q301 F302 I340 Y343 M344 S393 S400	I140-W398 HydrophobicContact CD1-CD2 4.23Å; I140-W398 HydrophobicContact CD1-CH2 4.37Å; I140-W398 HydrophobicContact CD1-CZ2 3.89Å; I140-W398 HydrophobicContact CG1-CD2 4.21Å; I140-W398 HydrophobicContact CG1-CG 4.33Å; I140-W398 HydrophobicContact CG2-CB 4.49Å; I140-W398 HydrophobicContact CG2-CD2 3.64Å; I140-W398 HydrophobicContact CG2-CE3 3.42Å; I140-W398 VanDerWaalsContact CG2-CE3 3.42Å; I140-W398 HydrophobicContact CG2-CG 4.13Å; I140-W398 HydrophobicContact CG2-CZ3 3.9Å; Q301-W398 HydrophobicContact CG-CE3 4.23Å; Q301-W398 WeakPolarHBondContact CG-O 3.46Å; Q301-W398 PolarHBondContact NE2-O 2.86Å; F302-W398 HydrophobicContact CD2-CH2 4.08Å; F302-W398 AromaticContact CD2-CZ3 3.98Å; F302-W398 HydrophobicContact CD2-CZ3 3.98Å; F302-W398 HydrophobicContact CE2-CH2 4.33Å; I340-W398 HydrophobicContact CB-CH2 4.41Å; I340-W398 HydrophobicContact CB-CZ3 4.47Å; I340-W398 HydrophobicContact CD1-CZ3 4.16Å; I340-W398 HydrophobicContact CG1-CH2 4.24Å; I340-W398 HydrophobicContact CG1-CZ3 3.87Å; I340-W398 HydrophobicContact CG2-CH2 3.76Å; I340-W398 HydrophobicContact CG2-CZ3 3.94Å; Y343-W398 AromaticContact CD1-CH2 3.82Å; Y343-W398 HydrophobicContact CD1-CH2 3.82Å; Y343-W398 AromaticContact CD1-CZ2 3.72Å; Y343-W398 HydrophobicContact CD1-CZ2 3.72Å; Y343-W398 HydrophobicContact CE1-CH2 4.17Å; Y343-W398 AromaticContact CE1-CZ2 3.73Å; Y343-W398 HydrophobicContact CE1-CZ2 3.73Å; M344-W398 HydrophobicContact CG-CZ2 4.34Å; M344-W398 HydrophobicContact SD-CZ2 3.85Å; S393-W398 PolarHBondContact OG-NE1 3.46Å; W398-S400 VanDerWaalsContact C-N 3.32Å
399	K	86.2	Confident	84.6	Confident	106 Å²	106	44.1 Å²	44.1	46%	0.461	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.9	173.8	-78.2	179.1	178.3	-166.6	0	112.7	R146 T395 N396 P424	R146-K399 VanDerWaalsContact CZ-O 3.23Å; R146-K399 PolarHBondContact NE-O 2.96Å; R146-K399 PolarHBondContact NH2-O 2.96Å; T395-K399 WeakPolarHBondContact O-CD 3.47Å; T395-K399 VanDerWaalsContact O-CG 3.24Å; T395-K399 WeakPolarHBondContact O-CG 3.48Å; N396-K399 PolarHBondContact O-N 2.95Å; K399-P424 HydrophobicContact CB-CB 4.43Å
400	S	89.4	Confident	83.2	Confident	15 Å²	15	51.5 Å²	51.5	11%	0.105	25%	0.253	C	S	.	.			trans	-78.6	133.9	-177.5	-57.1	0	0	0	0	110.4	N396 W398 Y422 P424	N396-S400 PolarHBondContact O-OG 2.98Å; N396-S400 VanDerWaalsContact O-OG 3.07Å; W398-S400 VanDerWaalsContact C-N 3.32Å; S400-Y422 WeakPolarHBondContact CA-O 3.34Å; S400-P424 WeakPolarHBondContact OG-CD 3.44Å
401	L	92.6	Very high	81.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.6	172.8	-59.1	167.9	0	0	0	109.3	T142 M147 A150 F299 H421 Y422	T142-L401 HydrophobicContact CG2-CD1 3.84Å; T142-L401 HydrophobicContact CG2-CD2 3.84Å; T142-L401 HydrophobicContact CG2-CG 4.31Å; T142-L401 WeakPolarHBondContact OG1-CD2 3.46Å; M147-L401 HydrophobicContact CE-CD1 4.13Å; A150-L401 HydrophobicContact CB-CD1 4.12Å; F299-L401 HydrophobicContact CD1-CB 3.91Å; L401-H421 CarbonylContact O-C 3.59Å; L401-H421 VanDerWaalsContact O-CA 3.23Å; L401-H421 WeakPolarHBondContact O-CA 3.41Å; L401-Y422 HydrophobicContact CD1-CD1 4.34Å; L401-Y422 PolarHBondContact N-O 2.83Å; L401-Y422 VanDerWaalsContact N-O 3.12Å; L401-Y422 PolarHBondContact O-N 2.8Å
402	W	93	Very high	80.7	Confident	22 Å²	22	50 Å²	50	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.4	179.8	-65.2	86.2	0	0	0	109.4	F299 R300 P303 H313 Y404 H421 T431	F299-W402 CarbonylContact C-O 3.58Å; F299-W402 VanDerWaalsContact CA-O 3.27Å; F299-W402 WeakPolarHBondContact CA-O 3.49Å; R300-W402 PolarHBondContact N-O 2.88Å; R300-W402 PolarHBondContact O-N 2.92Å; P303-W402 HydrophobicContact CB-CD2 4.46Å; P303-W402 HydrophobicContact CB-CZ2 4.23Å; H313-W402 HydrophobicContact CB-CH2 3.69Å; H313-W402 HydrophobicContact CB-CZ2 4.01Å; H313-W402 HydrophobicContact CB-CZ3 4.31Å; H313-W402 AromaticContact CD2-CE3 3.93Å; H313-W402 AromaticContact CD2-CH2 3.59Å; H313-W402 AromaticContact CD2-CZ3 3.27Å; H313-W402 WeakPolarHBondContact CD2-CZ3 3.42Å; H313-W402 AromaticContact CE1-CD2 3.85Å; H313-W402 AromaticContact CE1-CE3 3.45Å; H313-W402 VanDerWaalsContact CE1-CE3 3.45Å; H313-W402 AromaticContact CE1-CZ3 3.63Å; H313-W402 AromaticContact CG-CH2 3.41Å; H313-W402 VanDerWaalsContact CG-CH2 3.41Å; H313-W402 AromaticContact CG-CZ2 3.89Å; H313-W402 AromaticContact CG-CZ3 3.54Å; H313-W402 AromaticContact ND1-CD2 3.98Å; H313-W402 AromaticContact ND1-CE3 3.85Å; H313-W402 AromaticContact ND1-CH2 3.8Å; H313-W402 AromaticContact ND1-CZ2 3.92Å; H313-W402 AromaticContact ND1-CZ3 3.77Å; H313-W402 AromaticContact NE2-CE3 3.52Å; H313-W402 AromaticContact NE2-CZ3 3.36Å; H313-W402 WeakPolarHBondContact NE2-CZ3 3.22Å; W402-Y404 HydrophobicContact CB-CD2 4.23Å; W402-Y404 HydrophobicContact CB-CE2 3.73Å; W402-H421 HydrophobicContact CD2-CB 3.75Å; W402-H421 HydrophobicContact CE3-CB 3.39Å; W402-H421 HydrophobicContact CG-CB 4.46Å; W402-H421 HydrophobicContact CH2-CB 3.99Å; W402-H421 AromaticContact CH2-CG 3.97Å; W402-H421 HydrophobicContact CZ2-CB 4.31Å; W402-H421 HydrophobicContact CZ3-CB 3.52Å; W402-H421 AromaticContact CZ3-CG 3.84Å; W402-T431 HydrophobicContact CZ3-CG2 4.2Å
403	F	94.9	Very high	79.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119	176	-174.3	-102.9	0	0	0	109.6	I154 I270 F299 T419 A420 M428 L446 F447	I154-F403 HydrophobicContact CD1-CD1 4.45Å; I154-F403 HydrophobicContact CD1-CD2 3.39Å; I154-F403 HydrophobicContact CD1-CE2 3.51Å; I154-F403 HydrophobicContact CD1-CG 3.89Å; I154-F403 HydrophobicContact CD1-CZ 4.11Å; I270-F403 HydrophobicContact CG2-CE2 4.07Å; F299-F403 HydrophobicContact CD1-CB 4.13Å; F299-F403 HydrophobicContact CD1-CD2 4.17Å; F299-F403 HydrophobicContact CD2-CD2 4.28Å; F299-F403 HydrophobicContact CE1-CB 4.13Å; F299-F403 HydrophobicContact CE1-CD2 4.09Å; F299-F403 HydrophobicContact CE2-CD2 4.17Å; F299-F403 HydrophobicContact CG-CD2 4.31Å; F299-F403 HydrophobicContact CZ-CD2 4.12Å; F403-T419 WeakPolarHBondContact CD1-OG1 3.31Å; F403-T419 PolarHBondContact O-N 2.87Å; F403-A420 HydrophobicContact CB-CB 4.16Å; F403-A420 PolarHBondContact N-O 2.87Å; F403-M428 HydrophobicContact CB-CE 4.2Å; F403-L446 HydrophobicContact CD1-CB 4.35Å; F403-L446 HydrophobicContact CD1-CD2 4.03Å; F403-L446 HydrophobicContact CE1-CB 3.9Å; F403-L446 HydrophobicContact CE1-CD2 4.36Å; F403-F447 HydrophobicContact CE1-CZ 4.41Å; F403-F447 HydrophobicContact CZ-CE1 4.09Å; F403-F447 HydrophobicContact CZ-CE2 4.39Å; F403-F447 AromaticContact CZ-CZ 3.86Å; F403-F447 HydrophobicContact CZ-CZ 3.86Å
404	Y	93.9	Very high	79.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.1	176.3	-78.9	-92.6	0	0	0	109.8	G297 F298 R300 P303 L305 D309 W402 F416 I417	G297-Y404 CarbonylContact C-O 3.52Å; G297-Y404 WeakPolarHBondContact CA-O 3.39Å; F298-Y404 HydrophobicContact CE2-CD2 4.34Å; F298-Y404 HydrophobicContact CE2-CG 4.3Å; F298-Y404 HydrophobicContact CZ-CG 4.29Å; F298-Y404 PolarHBondContact N-O 2.67Å; F298-Y404 PolarHBondContact O-N 2.93Å; R300-Y404 HydrophobicContact CB-CD2 3.96Å; R300-Y404 HydrophobicContact CB-CE2 4.01Å; P303-Y404 PolarHBondContact O-OH 3.2Å; L305-Y404 HydrophobicContact CB-CD1 4.26Å; L305-Y404 HydrophobicContact CB-CE1 3.49Å; L305-Y404 VanDerWaalsContact CB-CE1 3.49Å; L305-Y404 HydrophobicContact CB-CE2 4.43Å; L305-Y404 HydrophobicContact CD2-CD1 3.6Å; L305-Y404 HydrophobicContact CD2-CE1 3.71Å; L305-Y404 HydrophobicContact CD2-CG 4.24Å; L305-Y404 HydrophobicContact CG-CE1 4.25Å; L305-Y404 PolarHBondContact N-OH 3.13Å; D309-Y404 VanDerWaalsContact CG-OH 3.31Å; D309-Y404 PolarHBondContact OD2-OH 3.3Å; W402-Y404 HydrophobicContact CB-CD2 4.23Å; W402-Y404 HydrophobicContact CB-CE2 3.73Å; Y404-F416 HydrophobicContact CD1-CB 4.32Å; Y404-I417 CarbonylContact C-O 3.56Å; Y404-I417 VanDerWaalsContact CA-O 3.29Å; Y404-I417 WeakPolarHBondContact CA-O 3.31Å; Y404-I417 VanDerWaalsContact CD1-C 3.43Å
405	S	92.2	Very high	80	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.2	175.6	76.7	0	0	0	0	111.3	V296 F416 I417 T419 L446 S448	V296-S405 WeakPolarHBondContact O-CA 3.35Å; S405-F416 CarbonylContact O-C 3.53Å; S405-F416 WeakPolarHBondContact O-CA 3.38Å; S405-I417 PolarHBondContact N-O 2.86Å; S405-I417 PolarHBondContact O-N 3.03Å; S405-T419 VanDerWaalsContact OG-CG2 3.24Å; S405-T419 WeakPolarHBondContact OG-CG2 3.12Å; S405-L446 WeakPolarHBondContact CB-O 3.16Å; S405-L446 PolarHBondContact OG-O 3.44Å; S405-L446 VanDerWaalsContact OG-O 3.14Å; S405-S448 PolarHBondContact OG-N 3.19Å
406	L	89.5	Confident	80.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133.5	174.3	-172.4	65.5	0	0	0	109.8	L283 I286 V296 K414 F416 T449	L283-L406 HydrophobicContact CD2-CD1 4.45Å; I286-L406 HydrophobicContact CD1-CD1 4.07Å; I286-L406 HydrophobicContact CD1-CD2 4.48Å; I286-L406 HydrophobicContact CG2-CD1 4.43Å; I286-L406 HydrophobicContact CG2-CD2 4.06Å; V296-L406 HydrophobicContact CB-CB 4.4Å; V296-L406 PolarHBondContact O-N 3.11Å; L406-K414 HydrophobicContact CD1-CB 4.27Å; L406-F416 HydrophobicContact CB-CD1 4.23Å; L406-F416 HydrophobicContact CB-CE1 3.83Å; L406-F416 HydrophobicContact CB-CZ 4.46Å; L406-F416 HydrophobicContact CD1-CD1 4.45Å; L406-F416 HydrophobicContact CD1-CE1 4.03Å; L406-F416 HydrophobicContact CD1-CE2 4.23Å; L406-F416 HydrophobicContact CD1-CZ 3.92Å; L406-T449 HydrophobicContact CB-CG2 4.49Å; L406-T449 HydrophobicContact CG-CG2 4.49Å; L406-T449 WeakPolarHBondContact O-CG2 3.27Å
407	E	85.5	Confident	81.4	Confident	17 Å²	17	47.1 Å²	47.1	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.5	171.1	-175.4	168.2	-131.5	0	0	108.5	F409 K414 N415 I417 K433 S448	E407-F409 HydrophobicContact CB-CE2 4.48Å; E407-F409 VanDerWaalsContact CD-CZ 3.47Å; E407-F409 HydrophobicContact CG-CD2 4.42Å; E407-F409 HydrophobicContact CG-CE2 3.92Å; E407-F409 HydrophobicContact CG-CZ 3.97Å; E407-F409 WeakPolarHBondContact OE2-CZ 3.23Å; E407-K414 WeakPolarHBondContact O-CA 3.19Å; E407-N415 PolarHBondContact N-O 2.68Å; E407-N415 PolarHBondContact O-N 3.03Å; E407-I417 HydrophobicContact CB-CD1 4.07Å; E407-I417 HydrophobicContact CB-CG1 4.02Å; E407-I417 HydrophobicContact CB-CG2 4.36Å; E407-I417 HydrophobicContact CG-CD1 4.31Å; E407-I417 WeakPolarHBondContact OE2-CD1 3.41Å; E407-I417 WeakPolarHBondContact OE2-CG2 3.44Å; E407-K433 WeakPolarHBondContact OE1-CE 3.41Å; E407-K433 IonicContact OE1-NZ 2.82Å; E407-K433 PolarHBondContact OE1-NZ 3.44Å; E407-K433 IonicContact OE2-NZ 3.89Å; E407-S448 PolarHBondContact OE1-OG 3.09Å
408	T	76.6	Confident	81.9	Confident	54 Å²	54	45.8 Å²	45.8	33%	0.331	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.2	176.4	53.3	0	0	0	0	109.1	E292 K414 T449	E292-T408 WeakPolarHBondContact O-CG2 3.42Å; T408-K414 HydrophobicContact CG2-CG 4.29Å; T408-T449 HydrophobicContact CG2-CG2 4.26Å
409	F	66.2	Low	82.3	Confident	98 Å²	98	44.9 Å²	44.9	43%	0.43	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.7	174	-65.4	-84.4	0	0	0	109.8	E407 D411 A412 M413 N415	E407-F409 HydrophobicContact CB-CE2 4.48Å; E407-F409 VanDerWaalsContact CD-CZ 3.47Å; E407-F409 HydrophobicContact CG-CD2 4.42Å; E407-F409 HydrophobicContact CG-CE2 3.92Å; E407-F409 HydrophobicContact CG-CZ 3.97Å; E407-F409 WeakPolarHBondContact OE2-CZ 3.23Å; F409-D411 VanDerWaalsContact C-N 3.27Å; F409-D411 PolarHBondContact O-N 2.93Å; F409-A412 PolarHBondContact O-N 3.48Å; F409-M413 HydrophobicContact CB-CB 4.24Å; F409-M413 PolarHBondContact N-O 3.48Å; F409-M413 PolarHBondContact O-N 2.91Å; F409-N415 HydrophobicContact CE2-CB 4.4Å
410	D	59.8	Low	82.7	Confident	154 Å²	154	39.9 Å²	39.9	82%	0.824	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	27.3	61.6	169.9	-64.3	-29.2	0	0	0	113.5	A412	D410-A412 PolarHBondContact O-N 3.17Å
411	D	56.4	Low	82.9	Confident	136 Å²	136	41.1 Å²	41.1	73%	0.727	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	7.8	177.1	-62.8	-23.4	0	0	0	118.5	F409	F409-D411 VanDerWaalsContact C-N 3.27Å; F409-D411 PolarHBondContact O-N 2.93Å
412	A	60.6	Low	83	Confident	81 Å²	81	41 Å²	41	67%	0.669	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-47.5	-175.5	0	0	0	0	0	115.7	F409 D410	F409-A412 PolarHBondContact O-N 3.48Å; D410-A412 PolarHBondContact O-N 3.17Å
413	M	60.1	Low	82.9	Confident	146 Å²	146	40.3 Å²	40.3	72%	0.719	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.6	-175.2	-72.1	-171.7	-175	0	0	110.8	F409	F409-M413 HydrophobicContact CB-CB 4.24Å; F409-M413 PolarHBondContact N-O 3.48Å; F409-M413 PolarHBondContact O-N 2.91Å
414	K	75.3	Confident	82.6	Confident	35 Å²	35	41.8 Å²	41.8	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.9	177.9	-54.1	-174.1	-171.9	177.6	0	108.3	L283 I286 S289 L406 E407 T408	L283-K414 HydrophobicContact CD2-CB 4.47Å; L283-K414 WeakPolarHBondContact CD2-O 3.49Å; I286-K414 HydrophobicContact CB-CD 4.31Å; I286-K414 HydrophobicContact CG2-CD 3.42Å; I286-K414 VanDerWaalsContact CG2-CD 3.42Å; I286-K414 PolarHBondContact O-NZ 3.46Å; S289-K414 PolarHBondContact O-NZ 3.24Å; L406-K414 HydrophobicContact CD1-CB 4.27Å; E407-K414 WeakPolarHBondContact O-CA 3.19Å; T408-K414 HydrophobicContact CG2-CG 4.29Å
415	N	87.8	Confident	82.3	Confident	49 Å²	49	47.6 Å²	47.6	26%	0.262	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162	176.6	-162.5	2.4	0	0	0	110.2	N306 E407 F409	N306-N415 PolarHBondContact ND2-ND2 3.49Å; E407-N415 PolarHBondContact N-O 2.68Å; E407-N415 PolarHBondContact O-N 3.03Å; F409-N415 HydrophobicContact CE2-CB 4.4Å
416	F	90.9	Very high	82.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	171.4	-74.4	-80	0	0	0	110.5	I279 L282 L283 I286 V296 F298 L305 N306 Y404 S405 L406	I279-F416 HydrophobicContact CG2-CD2 3.51Å; I279-F416 HydrophobicContact CG2-CE2 3.98Å; I279-F416 HydrophobicContact CG2-CG 4.41Å; L282-F416 HydrophobicContact CD2-CE2 3.76Å; L282-F416 HydrophobicContact CD2-CZ 3.75Å; L282-F416 HydrophobicContact CG-CE2 4Å; L282-F416 HydrophobicContact CG-CZ 4.18Å; L283-F416 HydrophobicContact CD2-CD2 3.54Å; L283-F416 HydrophobicContact CD2-CE2 3.53Å; L283-F416 HydrophobicContact CG-CD2 4.06Å; L283-F416 HydrophobicContact CG-CE2 4.1Å; I286-F416 HydrophobicContact CD1-CE2 3.96Å; I286-F416 HydrophobicContact CD1-CZ 3.68Å; V296-F416 HydrophobicContact CG1-CE1 4.24Å; V296-F416 HydrophobicContact CG1-CZ 4.49Å; F298-F416 HydrophobicContact CD1-CD1 4.11Å; F298-F416 AromaticContact CD1-CE1 4Å; F298-F416 HydrophobicContact CD1-CE1 4Å; F298-F416 HydrophobicContact CD1-CZ 4.47Å; F298-F416 HydrophobicContact CE1-CB 4.26Å; F298-F416 AromaticContact CE1-CD1 3.44Å; F298-F416 HydrophobicContact CE1-CD1 3.44Å; F298-F416 VanDerWaalsContact CE1-CD1 3.44Å; F298-F416 HydrophobicContact CE1-CD2 4Å; F298-F416 AromaticContact CE1-CE1 3.63Å; F298-F416 HydrophobicContact CE1-CE1 3.63Å; F298-F416 HydrophobicContact CE1-CE2 4.16Å; F298-F416 AromaticContact CE1-CG 3.64Å; F298-F416 HydrophobicContact CE1-CG 3.64Å; F298-F416 AromaticContact CE1-CZ 3.99Å; F298-F416 HydrophobicContact CE1-CZ 3.99Å; F298-F416 HydrophobicContact CZ-CB 4.39Å; F298-F416 HydrophobicContact CZ-CD1 4.34Å; F298-F416 HydrophobicContact CZ-CG 4.19Å; L305-F416 HydrophobicContact CD2-CB 3.73Å; N306-F416 PolarHBondContact ND2-O 3.25Å; Y404-F416 HydrophobicContact CD1-CB 4.32Å; S405-F416 CarbonylContact O-C 3.53Å; S405-F416 WeakPolarHBondContact O-CA 3.38Å; L406-F416 HydrophobicContact CB-CD1 4.23Å; L406-F416 HydrophobicContact CB-CE1 3.83Å; L406-F416 HydrophobicContact CB-CZ 4.46Å; L406-F416 HydrophobicContact CD1-CD1 4.45Å; L406-F416 HydrophobicContact CD1-CE1 4.03Å; L406-F416 HydrophobicContact CD1-CE2 4.23Å; L406-F416 HydrophobicContact CD1-CZ 3.92Å
417	I	91	Very high	82.2	Confident	21 Å²	21	54.1 Å²	54.1	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.4	-179.7	57.4	164.3	0	0	0	112	Y404 S405 E407 T419 K433 I437	Y404-I417 CarbonylContact C-O 3.56Å; Y404-I417 VanDerWaalsContact CA-O 3.29Å; Y404-I417 WeakPolarHBondContact CA-O 3.31Å; Y404-I417 VanDerWaalsContact CD1-C 3.43Å; S405-I417 PolarHBondContact N-O 2.86Å; S405-I417 PolarHBondContact O-N 3.03Å; E407-I417 HydrophobicContact CB-CD1 4.07Å; E407-I417 HydrophobicContact CB-CG1 4.02Å; E407-I417 HydrophobicContact CB-CG2 4.36Å; E407-I417 HydrophobicContact CG-CD1 4.31Å; E407-I417 WeakPolarHBondContact OE2-CD1 3.41Å; E407-I417 WeakPolarHBondContact OE2-CG2 3.44Å; I417-T419 HydrophobicContact CD1-CG2 4.12Å; I417-T419 HydrophobicContact CG1-CG2 4.12Å; I417-T419 PolarHBondContact O-N 2.88Å; I417-K433 HydrophobicContact CD1-CD 4.34Å; I417-K433 HydrophobicContact CD1-CG 3.73Å; I417-I437 HydrophobicContact CD1-CD1 4.27Å
418	S	93.6	Very high	82.6	Confident	7 Å²	7	54.4 Å²	54.4	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.1	176.5	53.3	0	0	0	0	110.8	D309 H313 T431	D309-S418 PolarHBondContact OD1-OG 2.78Å; H313-S418 WeakPolarHBondContact NE2-CB 2.93Å; H313-S418 PolarHBondContact NE2-OG 3.02Å; S418-T431 PolarHBondContact O-OG1 3.3Å
419	T	93	Very high	83.4	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-27	-177.8	52.7	0	0	0	0	113.1	F403 S405 I417 T431 G434 I437 L446	F403-T419 WeakPolarHBondContact CD1-OG1 3.31Å; F403-T419 PolarHBondContact O-N 2.87Å; S405-T419 VanDerWaalsContact OG-CG2 3.24Å; S405-T419 WeakPolarHBondContact OG-CG2 3.12Å; I417-T419 HydrophobicContact CD1-CG2 4.12Å; I417-T419 HydrophobicContact CG1-CG2 4.12Å; I417-T419 PolarHBondContact O-N 2.88Å; T419-T431 WeakPolarHBondContact CA-OG1 3.41Å; T419-T431 PolarHBondContact O-N 3.29Å; T419-T431 PolarHBondContact O-OG1 2.66Å; T419-G434 WeakPolarHBondContact O-CA 3.35Å; T419-I437 HydrophobicContact CG2-CD1 3.8Å; T419-L446 VanDerWaalsContact CB-O 3.26Å; T419-L446 WeakPolarHBondContact CB-O 3.29Å; T419-L446 WeakPolarHBondContact CG2-O 3.32Å; T419-L446 PolarHBondContact OG1-O 2.9Å
420	A	94.6	Very high	84.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.4	174	0	0	0	0	0	111.8	F403 M428 K429 L430 L446	F403-A420 HydrophobicContact CB-CB 4.16Å; F403-A420 PolarHBondContact N-O 2.87Å; A420-M428 HydrophobicContact CB-CE 3.91Å; A420-M428 HydrophobicContact CB-CG 4.26Å; A420-M428 HydrophobicContact CB-SD 3.71Å; A420-K429 CarbonylContact C-O 3.58Å; A420-K429 VanDerWaalsContact CA-O 3.24Å; A420-K429 WeakPolarHBondContact CA-O 3.46Å; A420-K429 WeakPolarHBondContact CB-O 3.43Å; A420-L430 HydrophobicContact CB-CD2 4.19Å; A420-L446 HydrophobicContact CB-CD2 3.5Å
421	H	93.5	Very high	86.3	Confident	41 Å²	41	47 Å²	47	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.4	170.5	78.4	106.3	0	0	0	110.8	L401 W402 T423 M428 K429	L401-H421 CarbonylContact O-C 3.59Å; L401-H421 VanDerWaalsContact O-CA 3.23Å; L401-H421 WeakPolarHBondContact O-CA 3.41Å; W402-H421 HydrophobicContact CD2-CB 3.75Å; W402-H421 HydrophobicContact CE3-CB 3.39Å; W402-H421 HydrophobicContact CG-CB 4.46Å; W402-H421 HydrophobicContact CH2-CB 3.99Å; W402-H421 AromaticContact CH2-CG 3.97Å; W402-H421 HydrophobicContact CZ2-CB 4.31Å; W402-H421 HydrophobicContact CZ3-CB 3.52Å; W402-H421 AromaticContact CZ3-CG 3.84Å; H421-T423 VanDerWaalsContact CE1-CG2 3.41Å; H421-T423 WeakPolarHBondContact CE1-CG2 3.25Å; H421-M428 VanDerWaalsContact C-SD 3.53Å; H421-K429 PolarHBondContact N-O 3.36Å; H421-K429 PolarHBondContact O-N 3.45Å
422	Y	94	Very high	87.9	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.7	175.2	-172.6	-101	0	0	0	109	R146 K149 A150 S400 L401 D426 M428	R146-Y422 HydrophobicContact CG-CD1 4.42Å; R146-Y422 HydrophobicContact CG-CE1 3.69Å; K149-Y422 WeakPolarHBondContact CD-OH 3.3Å; K149-Y422 WeakPolarHBondContact CE-OH 3.37Å; K149-Y422 VanDerWaalsContact CG-OH 3.29Å; K149-Y422 WeakPolarHBondContact CG-OH 3.26Å; A150-Y422 HydrophobicContact CB-CD1 4.31Å; A150-Y422 HydrophobicContact CB-CD2 4.03Å; A150-Y422 HydrophobicContact CB-CE2 4.28Å; A150-Y422 HydrophobicContact CB-CG 4.02Å; S400-Y422 WeakPolarHBondContact CA-O 3.34Å; L401-Y422 HydrophobicContact CD1-CD1 4.34Å; L401-Y422 PolarHBondContact N-O 2.83Å; L401-Y422 VanDerWaalsContact N-O 3.12Å; L401-Y422 PolarHBondContact O-N 2.8Å; Y422-D426 HydrophobicContact CE1-CB 4.4Å; Y422-D426 VanDerWaalsContact CE1-OD1 3.31Å; Y422-D426 WeakPolarHBondContact CE1-OD1 3.45Å; Y422-D426 VanDerWaalsContact CZ-CA 3.44Å; Y422-D426 WeakPolarHBondContact OH-CA 3.22Å; Y422-D426 WeakPolarHBondContact OH-CB 3.1Å; Y422-D426 PolarHBondContact OH-OD1 3.07Å; Y422-M428 HydrophobicContact CD2-CB 4.32Å
423	T	91.9	Very high	89.3	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.043	23%	0.225	C	C	.	.			trans	-74.8	158	-171.3	54	0	0	0	0	113.1	R146 H421 D425 D426 N427 K429	R146-T423 VanDerWaalsContact NH2-C 3.32Å; R146-T423 PolarHBondContact NH2-O 2.82Å; H421-T423 VanDerWaalsContact CE1-CG2 3.41Å; H421-T423 WeakPolarHBondContact CE1-CG2 3.25Å; T423-D425 PolarHBondContact O-N 2.74Å; T423-D425 VanDerWaalsContact O-N 3.1Å; T423-D426 PolarHBondContact O-N 3.38Å; T423-N427 PolarHBondContact N-O 3.5Å; T423-N427 PolarHBondContact OG1-N 3.44Å; T423-N427 PolarHBondContact OG1-O 3.36Å; T423-K429 HydrophobicContact CG2-CB 4.47Å; T423-K429 HydrophobicContact CG2-CD 3.7Å; T423-K429 HydrophobicContact CG2-CG 3.99Å
424	P	88	Confident	90.8	Very high	31 Å²	31	36.2 Å²	36.2	20%	0.201	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-34.4	170.2	-29.6	38.2	0	0	0	113.7	R146 N396 K399 S400 D426	R146-P424 PolarHBondContact NH1-O 2.93Å; N396-P424 HydrophobicContact CB-CB 4.32Å; N396-P424 HydrophobicContact CB-CG 3.87Å; K399-P424 HydrophobicContact CB-CB 4.43Å; S400-P424 WeakPolarHBondContact OG-CD 3.44Å; P424-D426 PolarHBondContact O-N 3.47Å; P424-D426 VanDerWaalsContact O-N 3.15Å
425	D	87.9	Confident	91.7	Very high	121 Å²	121	39.8 Å²	39.8	65%	0.647	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	10.4	179.5	-51.1	-35.5	0	0	0	114.5	T423 N427	T423-D425 PolarHBondContact O-N 2.74Å; T423-D425 VanDerWaalsContact O-N 3.1Å; D425-N427 PolarHBondContact O-ND2 2.82Å
426	D	88.6	Confident	91.8	Very high	55 Å²	55	41 Å²	41	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	59.3	48.6	179.3	-68.7	-49	0	0	0	114.1	R146 K149 Y422 T423 P424	R146-D426 IonicContact CZ-OD1 2.95Å; R146-D426 IonicContact NE-OD1 3.01Å; R146-D426 IonicContact NH1-OD1 3.82Å; R146-D426 PolarHBondContact NH1-OD1 3.42Å; R146-D426 IonicContact NH1-OD2 3.48Å; K149-D426 HydrophobicContact CD-CB 4.19Å; K149-D426 WeakPolarHBondContact CE-O 3.31Å; K149-D426 PolarHBondContact NZ-O 3.19Å; Y422-D426 HydrophobicContact CE1-CB 4.4Å; Y422-D426 VanDerWaalsContact CE1-OD1 3.31Å; Y422-D426 WeakPolarHBondContact CE1-OD1 3.45Å; Y422-D426 VanDerWaalsContact CZ-CA 3.44Å; Y422-D426 WeakPolarHBondContact OH-CA 3.22Å; Y422-D426 WeakPolarHBondContact OH-CB 3.1Å; Y422-D426 PolarHBondContact OH-OD1 3.07Å; T423-D426 PolarHBondContact O-N 3.38Å; P424-D426 PolarHBondContact O-N 3.47Å; P424-D426 VanDerWaalsContact O-N 3.15Å
427	N	91.7	Very high	91.8	Very high	84 Å²	84	41 Å²	41	45%	0.449	21%	0.214	S	C	.	.			trans	-137.5	138.5	171.1	-64.4	-62.6	0	0	0	111	T423 D425	T423-N427 PolarHBondContact N-O 3.5Å; T423-N427 PolarHBondContact OG1-N 3.44Å; T423-N427 PolarHBondContact OG1-O 3.36Å; D425-N427 PolarHBondContact O-ND2 2.82Å
428	M	93.8	Very high	91.8	Very high	23 Å²	23	45 Å²	45	11%	0.113	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.3	171.8	-168.2	59.8	123	0	0	111.7	E153 I154 M157 F299 F403 A420 H421 Y422	E153-M428 HydrophobicContact CB-CB 4.26Å; E153-M428 WeakPolarHBondContact OE2-CB 3.02Å; E153-M428 PolarHBondContact OE2-N 3.26Å; I154-M428 HydrophobicContact CD1-CE 3.59Å; I154-M428 HydrophobicContact CG1-CE 3.36Å; M157-M428 HydrophobicContact CE-CG 4.35Å; M157-M428 HydrophobicContact SD-CB 3.89Å; M157-M428 HydrophobicContact SD-CG 3.36Å; M157-M428 WeakPolarHBondContact SD-CG 3.18Å; F299-M428 HydrophobicContact CE1-CE 3.77Å; F299-M428 HydrophobicContact CZ-CE 4.16Å; F403-M428 HydrophobicContact CB-CE 4.2Å; A420-M428 HydrophobicContact CB-CE 3.91Å; A420-M428 HydrophobicContact CB-CG 4.26Å; A420-M428 HydrophobicContact CB-SD 3.71Å; H421-M428 VanDerWaalsContact C-SD 3.53Å; Y422-M428 HydrophobicContact CD2-CB 4.32Å
429	K	93.2	Very high	91.6	Very high	109 Å²	109	51.5 Å²	51.5	47%	0.474	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.4	175.7	-68.3	-171.7	-176	174.6	0	110.6	A420 H421 T423	A420-K429 CarbonylContact C-O 3.58Å; A420-K429 VanDerWaalsContact CA-O 3.24Å; A420-K429 WeakPolarHBondContact CA-O 3.46Å; A420-K429 WeakPolarHBondContact CB-O 3.43Å; H421-K429 PolarHBondContact N-O 3.36Å; H421-K429 PolarHBondContact O-N 3.45Å; T423-K429 HydrophobicContact CG2-CB 4.47Å; T423-K429 HydrophobicContact CG2-CD 3.7Å; T423-K429 HydrophobicContact CG2-CG 3.99Å
430	L	93.7	Very high	91.5	Very high	25 Å²	25	57.9 Å²	57.9	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	141.6	174.5	-68.9	171.3	0	0	0	110.5	M157 A420 M435 K438 L446	M157-L430 HydrophobicContact CE-CD1 4.44Å; M157-L430 HydrophobicContact CE-CD2 3.65Å; M157-L430 HydrophobicContact CE-CG 3.96Å; A420-L430 HydrophobicContact CB-CD2 4.19Å; L430-M435 HydrophobicContact CB-CG 3.89Å; L430-M435 VanDerWaalsContact O-CE 3.22Å; L430-M435 WeakPolarHBondContact O-CE 3.24Å; L430-K438 HydrophobicContact CD1-CB 4.21Å; L430-K438 HydrophobicContact CD1-CD 3.53Å; L430-L446 HydrophobicContact CD2-CD2 4.14Å
431	T	92.4	Very high	91.1	Very high	16 Å²	16	57.9 Å²	57.9	10%	0.098	29%	0.285	C	S	.	.			trans	-72.2	169	167.1	67.3	0	0	0	0	110	W402 S418 T419 K433 G434 M435	W402-T431 HydrophobicContact CZ3-CG2 4.2Å; S418-T431 PolarHBondContact O-OG1 3.3Å; T419-T431 WeakPolarHBondContact CA-OG1 3.41Å; T419-T431 PolarHBondContact O-N 3.29Å; T419-T431 PolarHBondContact O-OG1 2.66Å; T431-K433 PolarHBondContact O-N 2.82Å; T431-G434 WeakPolarHBondContact O-CA 3.44Å; T431-G434 PolarHBondContact O-N 3.41Å; T431-G434 PolarHBondContact OG1-N 3.49Å; T431-M435 WeakPolarHBondContact O-CG 3.47Å; T431-M435 PolarHBondContact O-N 3.02Å
432	S	91.3	Very high	90.7	Very high	73 Å²	73	58.1 Å²	58.1	51%	0.51	29%	0.287	S	S	.	.	H	α-helix	trans	-54.3	-40.2	174.8	55.9	0	0	0	0	112.4	M435 I436	S432-M435 PolarHBondContact O-N 2.89Å; S432-I436 WeakPolarHBondContact O-CG1 3.3Å; S432-I436 PolarHBondContact O-N 2.92Å; S432-I436 VanDerWaalsContact O-N 3.14Å
433	K	89.4	Confident	90.3	Very high	64 Å²	64	59.3 Å²	59.3	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-43.3	174.6	-174.5	72.1	179.2	-157.8	0	111.5	E407 I417 T431 M435 I436 I437	E407-K433 WeakPolarHBondContact OE1-CE 3.41Å; E407-K433 IonicContact OE1-NZ 2.82Å; E407-K433 PolarHBondContact OE1-NZ 3.44Å; E407-K433 IonicContact OE2-NZ 3.89Å; I417-K433 HydrophobicContact CD1-CD 4.34Å; I417-K433 HydrophobicContact CD1-CG 3.73Å; T431-K433 PolarHBondContact O-N 2.82Å; K433-M435 VanDerWaalsContact C-N 3.31Å; K433-M435 PolarHBondContact O-N 3.05Å; K433-I436 PolarHBondContact O-N 3.19Å; K433-I437 HydrophobicContact CG-CD1 4.15Å; K433-I437 WeakPolarHBondContact O-CG1 3.42Å; K433-I437 PolarHBondContact O-N 2.83Å
434	G	91.7	Very high	90	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-37.2	175.1	0	0	0	0	0	113.4	T419 T431 I437 K438 G445	T419-G434 WeakPolarHBondContact O-CA 3.35Å; T431-G434 WeakPolarHBondContact O-CA 3.44Å; T431-G434 PolarHBondContact O-N 3.41Å; T431-G434 PolarHBondContact OG1-N 3.49Å; G434-I437 PolarHBondContact O-N 3.11Å; G434-K438 WeakPolarHBondContact O-CB 3.49Å; G434-K438 PolarHBondContact O-N 3.45Å; G434-G445 WeakPolarHBondContact CA-O 3.29Å; G434-G445 WeakPolarHBondContact O-CA 3.28Å
435	M	92.8	Very high	90	Very high	110 Å²	110	58 Å²	58	54%	0.542	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-42.3	173.6	-66.7	-177	-148.7	0	0	112.1	L430 T431 S432 K433 K438 Q439	L430-M435 HydrophobicContact CB-CG 3.89Å; L430-M435 VanDerWaalsContact O-CE 3.22Å; L430-M435 WeakPolarHBondContact O-CE 3.24Å; T431-M435 WeakPolarHBondContact O-CG 3.47Å; T431-M435 PolarHBondContact O-N 3.02Å; S432-M435 PolarHBondContact O-N 2.89Å; K433-M435 VanDerWaalsContact C-N 3.31Å; K433-M435 PolarHBondContact O-N 3.05Å; M435-K438 PolarHBondContact O-N 3.13Å; M435-Q439 WeakPolarHBondContact O-CB 3.19Å; M435-Q439 PolarHBondContact O-N 3.29Å
436	I	91.2	Very high	90.2	Very high	73 Å²	73	52.2 Å²	52.2	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-44.9	175.6	-67.7	165	0	0	0	110.5	S432 K433 Q439 R440	S432-I436 WeakPolarHBondContact O-CG1 3.3Å; S432-I436 PolarHBondContact O-N 2.92Å; S432-I436 VanDerWaalsContact O-N 3.14Å; K433-I436 PolarHBondContact O-N 3.19Å; I436-Q439 PolarHBondContact O-N 2.69Å; I436-R440 HydrophobicContact CG2-CG 4.49Å; I436-R440 WeakPolarHBondContact O-CG 3.34Å; I436-R440 PolarHBondContact O-N 3.04Å
437	I	90.2	Very high	90.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-49.8	176.8	-66.1	164.1	0	0	0	109.4	I417 T419 K433 G434 Q439 R440 S441 V450	I417-I437 HydrophobicContact CD1-CD1 4.27Å; T419-I437 HydrophobicContact CG2-CD1 3.8Å; K433-I437 HydrophobicContact CG-CD1 4.15Å; K433-I437 WeakPolarHBondContact O-CG1 3.42Å; K433-I437 PolarHBondContact O-N 2.83Å; G434-I437 PolarHBondContact O-N 3.11Å; I437-Q439 VanDerWaalsContact C-N 3.28Å; I437-Q439 PolarHBondContact O-N 2.95Å; I437-R440 PolarHBondContact O-N 3.01Å; I437-R440 VanDerWaalsContact O-N 3.14Å; I437-S441 WeakPolarHBondContact O-CB 3.43Å; I437-S441 PolarHBondContact O-N 3.38Å; I437-S441 PolarHBondContact O-OG 3.39Å; I437-V450 HydrophobicContact CG2-CG2 4.15Å
438	K	91.5	Very high	90	Very high	106 Å²	106	46 Å²	46	46%	0.461	22%	0.222	S	C	.	.	H	α-helix	trans	-55.6	-41.8	177.1	178.4	165.4	-177.5	177.2	0	112.7	L430 G434 M435 L442	L430-K438 HydrophobicContact CD1-CB 4.21Å; L430-K438 HydrophobicContact CD1-CD 3.53Å; G434-K438 WeakPolarHBondContact O-CB 3.49Å; G434-K438 PolarHBondContact O-N 3.45Å; M435-K438 PolarHBondContact O-N 3.13Å; K438-L442 WeakPolarHBondContact O-CA 3.49Å; K438-L442 PolarHBondContact O-N 2.82Å
439	Q	90	Very high	89.5	Confident	143 Å²	143	45.9 Å²	45.9	67%	0.668	22%	0.222	S	C	*	.	H	α-helix	trans	-69	-37.1	179.9	-173.7	175.5	-5.3	0	0	112.2	M435 I436 I437	M435-Q439 WeakPolarHBondContact O-CB 3.19Å; M435-Q439 PolarHBondContact O-N 3.29Å; I436-Q439 PolarHBondContact O-N 2.69Å; I437-Q439 VanDerWaalsContact C-N 3.28Å; I437-Q439 PolarHBondContact O-N 2.95Å
440	R	89.7	Confident	89.1	Confident	134 Å²	134	41.1 Å²	41.1	51%	0.506	20%	0.202	S	C	.	.	H	α-helix	trans	-80.9	-44.3	-178.2	-70.1	177.1	176.6	-176.9	-3.1	113.3	I436 I437 Q452 H498	I436-R440 HydrophobicContact CG2-CG 4.49Å; I436-R440 WeakPolarHBondContact O-CG 3.34Å; I436-R440 PolarHBondContact O-N 3.04Å; I437-R440 PolarHBondContact O-N 3.01Å; I437-R440 VanDerWaalsContact O-N 3.14Å; R440-Q452 HydrophobicContact CB-CB 4.06Å; R440-Q452 HydrophobicContact CB-CG 4.3Å; R440-H498 PolarHBondContact O-CE1 2.84Å
441	S	87	Confident	88.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-86.5	-21.4	-178.2	70.8	0	0	0	0	113.3	I437 E443 F451 P798	I437-S441 WeakPolarHBondContact O-CB 3.43Å; I437-S441 PolarHBondContact O-N 3.38Å; I437-S441 PolarHBondContact O-OG 3.39Å; S441-E443 PolarHBondContact O-N 3.18Å; S441-E443 PolarHBondContact OG-N 3.35Å; S441-F451 WeakPolarHBondContact CB-O 3.5Å; S441-P798 WeakPolarHBondContact O-CB 3.11Å
442	L	85.8	Confident	88.5	Confident	46 Å²	46	42.1 Å²	42.1	24%	0.241	21%	0.205	C	C	.	.			trans	57.8	23.2	-172.2	-58.6	155.4	0	0	0	113.2	K438 Y802	K438-L442 WeakPolarHBondContact O-CA 3.49Å; K438-L442 PolarHBondContact O-N 2.82Å; L442-Y802 HydrophobicContact CD1-CD2 3.31Å; L442-Y802 HydrophobicContact CD1-CE2 4.36Å; L442-Y802 HydrophobicContact CD1-CG 3.69Å
443	E	85.1	Confident	88.4	Confident	26 Å²	26	40.2 Å²	40.2	12%	0.121	19%	0.191	C	C	.	.	S	Bend	trans	-101.9	-152.5	173.3	-57.7	-155.4	139.7	0	0	110.8	Y268 S441 G445 V450 K797	Y268-E443 PolarHBondContact OH-OE2 3.49Å; S441-E443 PolarHBondContact O-N 3.18Å; S441-E443 PolarHBondContact OG-N 3.35Å; E443-G445 VanDerWaalsContact C-N 3.3Å; E443-G445 PolarHBondContact O-N 3.29Å; E443-V450 VanDerWaalsContact OE2-CG1 3.24Å; E443-V450 WeakPolarHBondContact OE2-CG1 3Å; E443-K797 WeakPolarHBondContact OE1-CD 3.41Å; E443-K797 WeakPolarHBondContact OE1-CE 3.25Å; E443-K797 IonicContact OE1-NZ 3.77Å; E443-K797 PolarHBondContact OE1-NZ 3.46Å
444	S	86	Confident	88.4	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.063	18%	0.182	C	C	.	.			trans	-64.8	-29.5	-177.3	63.6	0	0	0	0	114.1	M157 E158 L446	M157-S444 WeakPolarHBondContact O-CB 3.33Å; E158-S444 VanDerWaalsContact CD-OG 3.27Å; E158-S444 WeakPolarHBondContact OE1-CB 3.34Å; E158-S444 PolarHBondContact OE1-OG 3.29Å; S444-L446 VanDerWaalsContact C-N 3.34Å; S444-L446 PolarHBondContact OG-N 2.71Å
445	G	88.1	Confident	88.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	83.8	2.1	-167.8	0	0	0	0	0	115.1	G434 E443	G434-G445 WeakPolarHBondContact CA-O 3.29Å; G434-G445 WeakPolarHBondContact O-CA 3.28Å; E443-G445 VanDerWaalsContact C-N 3.3Å; E443-G445 PolarHBondContact O-N 3.29Å
446	L	91.3	Very high	88	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.			trans	-84.2	-37.9	-173.3	-67	175.4	0	0	0	113.5	I154 M157 E158 F403 S405 T419 A420 L430 S444	I154-L446 HydrophobicContact CB-CD1 4.29Å; I154-L446 HydrophobicContact CD1-CD1 4.5Å; I154-L446 HydrophobicContact CG1-CD1 4.1Å; I154-L446 HydrophobicContact CG2-CD1 3.86Å; M157-L446 HydrophobicContact CB-CD1 4.05Å; M157-L446 HydrophobicContact CE-CD1 4.38Å; M157-L446 HydrophobicContact CE-CD2 3.89Å; M157-L446 HydrophobicContact CE-CG 4.09Å; M157-L446 HydrophobicContact SD-CD1 4.49Å; M157-L446 HydrophobicContact SD-CD2 4.45Å; E158-L446 HydrophobicContact CG-CD1 4.15Å; F403-L446 HydrophobicContact CD1-CB 4.35Å; F403-L446 HydrophobicContact CD1-CD2 4.03Å; F403-L446 HydrophobicContact CE1-CB 3.9Å; F403-L446 HydrophobicContact CE1-CD2 4.36Å; S405-L446 WeakPolarHBondContact CB-O 3.16Å; S405-L446 PolarHBondContact OG-O 3.44Å; S405-L446 VanDerWaalsContact OG-O 3.14Å; T419-L446 VanDerWaalsContact CB-O 3.26Å; T419-L446 WeakPolarHBondContact CB-O 3.29Å; T419-L446 WeakPolarHBondContact CG2-O 3.32Å; T419-L446 PolarHBondContact OG1-O 2.9Å; A420-L446 HydrophobicContact CB-CD2 3.5Å; L430-L446 HydrophobicContact CD2-CD2 4.14Å; S444-L446 VanDerWaalsContact C-N 3.34Å; S444-L446 PolarHBondContact OG-N 2.71Å
447	F	90.4	Very high	88.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.			trans	-109.2	127.2	-176	-64.7	-90.2	0	0	0	111	E158 Y268 I270 K295 F403 V450	E158-F447 HydrophobicContact CG-CE2 4.33Å; E158-F447 VanDerWaalsContact OE1-CD2 3.22Å; E158-F447 WeakPolarHBondContact OE1-CD2 3.39Å; E158-F447 VanDerWaalsContact OE1-CE2 3.31Å; E158-F447 WeakPolarHBondContact OE1-CE2 3.33Å; Y268-F447 HydrophobicContact CD1-CD1 4.28Å; Y268-F447 AromaticContact CD1-CD2 3.53Å; Y268-F447 HydrophobicContact CD1-CD2 3.53Å; Y268-F447 HydrophobicContact CD1-CE1 4.19Å; Y268-F447 AromaticContact CD1-CE2 3.46Å; Y268-F447 HydrophobicContact CD1-CE2 3.46Å; Y268-F447 VanDerWaalsContact CD1-CE2 3.46Å; Y268-F447 AromaticContact CD1-CG 3.96Å; Y268-F447 HydrophobicContact CD1-CG 3.96Å; Y268-F447 AromaticContact CD1-CZ 3.79Å; Y268-F447 HydrophobicContact CD1-CZ 3.79Å; Y268-F447 AromaticContact CE1-CD2 3.69Å; Y268-F447 HydrophobicContact CE1-CD2 3.69Å; Y268-F447 HydrophobicContact CE1-CE2 4.05Å; Y268-F447 HydrophobicContact CE1-CG 4.11Å; Y268-F447 HydrophobicContact CG-CE2 4.44Å; I270-F447 HydrophobicContact CD1-CE2 4.5Å; I270-F447 HydrophobicContact CD1-CZ 4Å; I270-F447 HydrophobicContact CG1-CE1 4.44Å; I270-F447 HydrophobicContact CG1-CZ 3.65Å; K295-F447 HydrophobicContact CB-CD1 4.23Å; F403-F447 HydrophobicContact CE1-CZ 4.41Å; F403-F447 HydrophobicContact CZ-CE1 4.09Å; F403-F447 HydrophobicContact CZ-CE2 4.39Å; F403-F447 AromaticContact CZ-CZ 3.86Å; F403-F447 HydrophobicContact CZ-CZ 3.86Å; F447-V450 HydrophobicContact CB-CG1 3.98Å; F447-V450 WeakPolarHBondContact O-CG2 3.3Å
448	S	85.7	Confident	88.4	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.063	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.2	178	-159.1	0	0	0	0	113.4	S405 E407 V450 Q452	S405-S448 PolarHBondContact OG-N 3.19Å; E407-S448 PolarHBondContact OE1-OG 3.09Å; S448-V450 PolarHBondContact O-N 2.88Å; S448-Q452 PolarHBondContact O-NE2 2.9Å; S448-Q452 PolarHBondContact OG-NE2 3.3Å
449	T	83.4	Confident	88.6	Confident	20 Å²	20	45.3 Å²	45.3	12%	0.123	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.2	179.2	48.7	0	0	0	0	114.8	M294 L406 T408	M294-T449 WeakPolarHBondContact O-CG2 3.36Å; M294-T449 PolarHBondContact O-OG1 3.45Å; L406-T449 HydrophobicContact CB-CG2 4.49Å; L406-T449 HydrophobicContact CG-CG2 4.49Å; L406-T449 WeakPolarHBondContact O-CG2 3.27Å; T408-T449 HydrophobicContact CG2-CG2 4.26Å
450	V	84.9	Confident	88.9	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.055	21%	0.209	C	C	.	.	S	Bend	trans	-69.2	150.7	171.2	-55	0	0	0	0	109.8	Y268 I437 E443 F447 S448 Q452	Y268-V450 HydrophobicContact CE1-CG1 4.46Å; I437-V450 HydrophobicContact CG2-CG2 4.15Å; E443-V450 VanDerWaalsContact OE2-CG1 3.24Å; E443-V450 WeakPolarHBondContact OE2-CG1 3Å; F447-V450 HydrophobicContact CB-CG1 3.98Å; F447-V450 WeakPolarHBondContact O-CG2 3.3Å; S448-V450 PolarHBondContact O-N 2.88Å; V450-Q452 PolarHBondContact O-N 3.3Å
451	F	87.2	Confident	89.2	Confident	30 Å²	30	37.2 Å²	37.2	13%	0.132	18%	0.184	C	C	.	.			trans	-64.1	127	179.8	177.2	-93.4	0	0	0	111.2	S441 S453 F454 F499 E794 Y795 P798	S441-F451 WeakPolarHBondContact CB-O 3.5Å; F451-S453 VanDerWaalsContact CE2-O 3.27Å; F451-S453 WeakPolarHBondContact CE2-O 3.41Å; F451-S453 VanDerWaalsContact CZ-C 3.43Å; F451-F454 HydrophobicContact CE1-CD2 4.19Å; F451-F454 AromaticContact CE1-CE2 3.87Å; F451-F454 HydrophobicContact CE1-CE2 3.87Å; F451-F454 HydrophobicContact CE1-CZ 4.25Å; F451-F454 HydrophobicContact CE2-CD1 4.12Å; F451-F454 HydrophobicContact CE2-CD2 4.45Å; F451-F454 HydrophobicContact CE2-CE1 4.11Å; F451-F454 HydrophobicContact CE2-CE2 4.42Å; F451-F454 HydrophobicContact CE2-CG 4.29Å; F451-F454 HydrophobicContact CE2-CZ 4.26Å; F451-F454 AromaticContact CZ-CD1 3.91Å; F451-F454 HydrophobicContact CZ-CD1 3.91Å; F451-F454 AromaticContact CZ-CD2 3.48Å; F451-F454 HydrophobicContact CZ-CD2 3.48Å; F451-F454 VanDerWaalsContact CZ-CD2 3.48Å; F451-F454 AromaticContact CZ-CE1 3.87Å; F451-F454 HydrophobicContact CZ-CE1 3.87Å; F451-F454 AromaticContact CZ-CE2 3.41Å; F451-F454 HydrophobicContact CZ-CE2 3.41Å; F451-F454 VanDerWaalsContact CZ-CE2 3.41Å; F451-F454 AromaticContact CZ-CG 3.72Å; F451-F454 HydrophobicContact CZ-CG 3.72Å; F451-F454 AromaticContact CZ-CZ 3.63Å; F451-F454 HydrophobicContact CZ-CZ 3.63Å; F451-F499 HydrophobicContact CD1-CD1 4.3Å; F451-F499 HydrophobicContact CD1-CE1 4.4Å; F451-F499 AromaticContact CE1-CD1 3.64Å; F451-F499 HydrophobicContact CE1-CD1 3.64Å; F451-F499 HydrophobicContact CE1-CE1 4.14Å; F451-F499 HydrophobicContact CE1-CG 4.3Å; F451-E794 HydrophobicContact CB-CB 4.19Å; F451-Y795 VanDerWaalsContact CD1-CB 3.43Å; F451-Y795 VanDerWaalsContact CE1-CB 3.45Å; F451-P798 HydrophobicContact CB-CG 4.31Å; F451-P798 HydrophobicContact CD1-CB 4.39Å; F451-P798 HydrophobicContact CD1-CG 4.4Å
452	Q	86.4	Confident	89.6	Confident	32 Å²	32	37.2 Å²	37.2	15%	0.15	18%	0.184	C	C	.	.			trans	-116.4	-35.2	-178	-67.8	177.7	53.8	0	0	113.6	R440 S448 V450	R440-Q452 HydrophobicContact CB-CB 4.06Å; R440-Q452 HydrophobicContact CB-CG 4.3Å; S448-Q452 PolarHBondContact O-NE2 2.9Å; S448-Q452 PolarHBondContact OG-NE2 3.3Å; V450-Q452 PolarHBondContact O-N 3.3Å
453	S	88.3	Confident	90.1	Very high	33 Å²	33	35 Å²	35	23%	0.231	17%	0.173	C	C	.	.			trans	-165.5	152.6	-170.3	165.1	0	0	0	0	110.8	F451 N455	F451-S453 VanDerWaalsContact CE2-O 3.27Å; F451-S453 WeakPolarHBondContact CE2-O 3.41Å; F451-S453 VanDerWaalsContact CZ-C 3.43Å; S453-N455 PolarHBondContact OG-N 2.85Å; S453-N455 PolarHBondContact OG-OD1 2.91Å
454	F	89.2	Confident	90.4	Very high	20 Å²	20	34.8 Å²	34.8	9%	0.088	17%	0.172	C	C	.	.			trans	-88.3	-6.5	171.5	-76.1	-76.4	0	0	0	113.8	F451 H456 K457 L459 F499 F501 Y795 M799	F451-F454 HydrophobicContact CE1-CD2 4.19Å; F451-F454 AromaticContact CE1-CE2 3.87Å; F451-F454 HydrophobicContact CE1-CE2 3.87Å; F451-F454 HydrophobicContact CE1-CZ 4.25Å; F451-F454 HydrophobicContact CE2-CD1 4.12Å; F451-F454 HydrophobicContact CE2-CD2 4.45Å; F451-F454 HydrophobicContact CE2-CE1 4.11Å; F451-F454 HydrophobicContact CE2-CE2 4.42Å; F451-F454 HydrophobicContact CE2-CG 4.29Å; F451-F454 HydrophobicContact CE2-CZ 4.26Å; F451-F454 AromaticContact CZ-CD1 3.91Å; F451-F454 HydrophobicContact CZ-CD1 3.91Å; F451-F454 AromaticContact CZ-CD2 3.48Å; F451-F454 HydrophobicContact CZ-CD2 3.48Å; F451-F454 VanDerWaalsContact CZ-CD2 3.48Å; F451-F454 AromaticContact CZ-CE1 3.87Å; F451-F454 HydrophobicContact CZ-CE1 3.87Å; F451-F454 AromaticContact CZ-CE2 3.41Å; F451-F454 HydrophobicContact CZ-CE2 3.41Å; F451-F454 VanDerWaalsContact CZ-CE2 3.41Å; F451-F454 AromaticContact CZ-CG 3.72Å; F451-F454 HydrophobicContact CZ-CG 3.72Å; F451-F454 AromaticContact CZ-CZ 3.63Å; F451-F454 HydrophobicContact CZ-CZ 3.63Å; F454-H456 PolarHBondContact O-N 3.46Å; F454-K457 HydrophobicContact CB-CB 4.2Å; F454-K457 WeakPolarHBondContact O-CB 3.15Å; F454-K457 PolarHBondContact O-N 3.48Å; F454-K457 VanDerWaalsContact O-N 3.12Å; F454-L459 HydrophobicContact CD1-CD1 4.29Å; F454-L459 HydrophobicContact CD1-CD2 4.03Å; F454-L459 HydrophobicContact CD2-CD1 4.44Å; F454-L459 HydrophobicContact CE1-CD1 3.89Å; F454-L459 HydrophobicContact CE1-CD2 3.93Å; F454-L459 HydrophobicContact CE1-CG 4.46Å; F454-L459 HydrophobicContact CE2-CD1 4.07Å; F454-L459 HydrophobicContact CZ-CD1 3.77Å; F454-F499 HydrophobicContact CD2-CB 3.82Å; F454-F499 HydrophobicContact CE2-CB 4.11Å; F454-F499 PolarHBondContact N-O 3.06Å; F454-F501 HydrophobicContact CB-CB 3.68Å; F454-F501 HydrophobicContact CD2-CB 3.82Å; F454-F501 AromaticContact CD2-CD1 3.43Å; F454-F501 HydrophobicContact CD2-CD1 3.43Å; F454-F501 VanDerWaalsContact CD2-CD1 3.43Å; F454-F501 HydrophobicContact CD2-CE1 4.25Å; F454-F501 AromaticContact CD2-CG 3.91Å; F454-F501 HydrophobicContact CD2-CG 3.91Å; F454-F501 AromaticContact CE2-CD1 3.81Å; F454-F501 HydrophobicContact CE2-CD1 3.81Å; F454-F501 HydrophobicContact CE2-CE1 4.19Å; F454-F501 HydrophobicContact CE2-CG 4.42Å; F454-F501 HydrophobicContact CG-CB 3.88Å; F454-F501 HydrophobicContact CG-CD1 4.34Å; F454-F501 HydrophobicContact CG-CG 4.42Å; F454-Y795 AromaticContact CE1-CD1 3.72Å; F454-Y795 HydrophobicContact CE1-CD1 3.72Å; F454-Y795 AromaticContact CE1-CE1 3.95Å; F454-Y795 HydrophobicContact CE1-CE1 3.95Å; F454-Y795 HydrophobicContact CE1-CG 4.07Å; F454-Y795 HydrophobicContact CE2-CG 4.45Å; F454-Y795 AromaticContact CZ-CD1 3.66Å; F454-Y795 HydrophobicContact CZ-CD1 3.66Å; F454-Y795 AromaticContact CZ-CD2 3.81Å; F454-Y795 HydrophobicContact CZ-CD2 3.81Å; F454-Y795 HydrophobicContact CZ-CE1 4.11Å; F454-Y795 HydrophobicContact CZ-CE2 4.22Å; F454-Y795 AromaticContact CZ-CG 3.49Å; F454-Y795 HydrophobicContact CZ-CG 3.49Å; F454-Y795 VanDerWaalsContact CZ-CG 3.49Å; F454-M799 HydrophobicContact CE2-CE 3.61Å; F454-M799 HydrophobicContact CE2-SD 4.31Å; F454-M799 HydrophobicContact CZ-CE 4.22Å; F454-M799 HydrophobicContact CZ-SD 4.47Å
455	N	87.7	Confident	90.6	Very high	116 Å²	116	37.6 Å²	37.6	62%	0.62	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	49.5	177.6	-60.4	-20.7	0	0	0	113.4	S453 K457	S453-N455 PolarHBondContact OG-N 2.85Å; S453-N455 PolarHBondContact OG-OD1 2.91Å; N455-K457 PolarHBondContact O-N 3.3Å
456	H	89.9	Confident	90.6	Very high	132 Å²	132	38.2 Å²	38.2	61%	0.611	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	18	-177.9	-47.7	97.9	0	0	0	115.1	F454 N500	F454-H456 PolarHBondContact O-N 3.46Å; H456-N500 WeakPolarHBondContact CA-O 3.33Å; H456-N500 PolarHBondContact CD2-ND2 3.07Å; H456-N500 PolarHBondContact CD2-OD1 2.9Å; H456-N500 PolarHBondContact CE1-ND2 3.49Å; H456-N500 PolarHBondContact N-O 3.46Å; H456-N500 PolarHBondContact NE2-ND2 3.38Å; H456-N500 PolarHBondContact NE2-OD1 2.98Å
457	K	92.7	Very high	90.6	Very high	119 Å²	119	40.6 Å²	40.6	52%	0.517	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-61.4	141.6	171.8	-173.7	177.2	-178.5	178.4	0	110.5	F454 N455 L459 F501 S502	F454-K457 HydrophobicContact CB-CB 4.2Å; F454-K457 WeakPolarHBondContact O-CB 3.15Å; F454-K457 PolarHBondContact O-N 3.48Å; F454-K457 VanDerWaalsContact O-N 3.12Å; N455-K457 PolarHBondContact O-N 3.3Å; K457-L459 HydrophobicContact CD-CD2 4.29Å; K457-L459 HydrophobicContact CG-CD2 4.42Å; K457-F501 WeakPolarHBondContact O-CA 3.22Å; K457-F501 VanDerWaalsContact O-CB 3.32Å; K457-F501 WeakPolarHBondContact O-CB 3.29Å; K457-S502 PolarHBondContact O-N 3.38Å; K457-S502 VanDerWaalsContact O-N 3.08Å
458	T	95.9	Very high	90.6	Very high	70 Å²	70	40.9 Å²	40.9	43%	0.429	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.9	172.3	-55.1	0	0	0	0	110.3	S502 R504	T458-S502 CarbonylContact C-O 3.53Å; T458-S502 VanDerWaalsContact CA-O 3.22Å; T458-S502 WeakPolarHBondContact CA-O 3.34Å; T458-R504 HydrophobicContact CG2-CG 4.06Å
459	L	96	Very high	91	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.6	177.3	-58.6	-176	0	0	0	111.3	F454 K457 I461 F501 S502 Y503 R504 D535	F454-L459 HydrophobicContact CD1-CD1 4.29Å; F454-L459 HydrophobicContact CD1-CD2 4.03Å; F454-L459 HydrophobicContact CD2-CD1 4.44Å; F454-L459 HydrophobicContact CE1-CD1 3.89Å; F454-L459 HydrophobicContact CE1-CD2 3.93Å; F454-L459 HydrophobicContact CE1-CG 4.46Å; F454-L459 HydrophobicContact CE2-CD1 4.07Å; F454-L459 HydrophobicContact CZ-CD1 3.77Å; K457-L459 HydrophobicContact CD-CD2 4.29Å; K457-L459 HydrophobicContact CG-CD2 4.42Å; L459-I461 HydrophobicContact CB-CD1 4.45Å; L459-I461 HydrophobicContact CB-CG1 4.22Å; L459-F501 HydrophobicContact CB-CD2 4.39Å; L459-F501 HydrophobicContact CD1-CB 4.35Å; L459-F501 HydrophobicContact CD1-CD1 4.43Å; L459-F501 HydrophobicContact CD1-CD2 3.64Å; L459-F501 HydrophobicContact CD1-CE2 3.96Å; L459-F501 HydrophobicContact CD1-CG 3.91Å; L459-F501 HydrophobicContact CD1-CZ 4.45Å; L459-F501 HydrophobicContact CG-CB 4.34Å; L459-F501 HydrophobicContact CG-CD2 3.98Å; L459-F501 HydrophobicContact CG-CG 4.32Å; L459-S502 PolarHBondContact N-O 3.3Å; L459-Y503 CarbonylContact O-C 3.57Å; L459-Y503 VanDerWaalsContact O-CA 3.24Å; L459-Y503 WeakPolarHBondContact O-CA 3.19Å; L459-R504 PolarHBondContact O-N 3.12Å; L459-D535 HydrophobicContact CB-CB 4.43Å; L459-D535 HydrophobicContact CD2-CB 4.36Å
460	R	96.3	Very high	91.5	Very high	107 Å²	107	39.8 Å²	39.8	40%	0.404	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	171	-60.2	172.4	-63.9	164.9	9.9	108.2	F506 G532 R533 D535 M536	R460-F506 HydrophobicContact CB-CD2 4.27Å; R460-F506 HydrophobicContact CB-CE2 3.93Å; R460-F506 HydrophobicContact CG-CE2 4Å; R460-G532 PolarHBondContact NH2-O 2.85Å; R460-R533 PolarHBondContact NE-O 2.89Å; R460-R533 PolarHBondContact NH1-O 3.43Å; R460-R533 PolarHBondContact NH2-O 2.85Å; R460-D535 PolarHBondContact N-OD2 3.16Å; R460-D535 IonicContact NE-OD2 2.89Å; R460-D535 IonicContact NH2-OD1 2.57Å; R460-D535 PolarHBondContact O-N 3.49Å; R460-M536 PolarHBondContact O-N 3.02Å
461	I	96.7	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.9	-172.5	-58.2	-170.5	0	0	0	109	L459 L492 F501 Y503 R504 L505 F506 M536 A538	L459-I461 HydrophobicContact CB-CD1 4.45Å; L459-I461 HydrophobicContact CB-CG1 4.22Å; I461-L492 HydrophobicContact CD1-CD1 3.6Å; I461-L492 HydrophobicContact CD1-CD2 3.84Å; I461-L492 HydrophobicContact CD1-CG 4.28Å; I461-L492 HydrophobicContact CG2-CD2 4.43Å; I461-F501 HydrophobicContact CD1-CE2 4.3Å; I461-Y503 VanDerWaalsContact CD1-CB 3.49Å; I461-Y503 HydrophobicContact CD1-CD2 4.42Å; I461-Y503 HydrophobicContact CD1-CG 3.99Å; I461-R504 PolarHBondContact N-O 3.42Å; I461-L505 HydrophobicContact CB-CD2 4.05Å; I461-L505 HydrophobicContact CG2-CD2 3.99Å; I461-L505 CarbonylContact O-C 3.53Å; I461-L505 VanDerWaalsContact O-CA 3.31Å; I461-L505 WeakPolarHBondContact O-CA 3.26Å; I461-F506 PolarHBondContact O-N 3.26Å; I461-M536 CarbonylContact C-O 3.24Å; I461-M536 VanDerWaalsContact CA-O 3.27Å; I461-M536 WeakPolarHBondContact CA-O 3.26Å; I461-M536 HydrophobicContact CD1-CB 4.49Å; I461-M536 HydrophobicContact CD1-SD 4.28Å; I461-M536 HydrophobicContact CG1-CB 4.2Å; I461-A538 HydrophobicContact CG2-CB 3.44Å; I461-A538 VanDerWaalsContact CG2-CB 3.44Å
462	S	95.5	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135	173.2	-163.8	0	0	0	0	109.4	F506 M525 E528 M536 I537 A538	S462-F506 CarbonylContact C-O 3.6Å; S462-F506 WeakPolarHBondContact CA-O 3.26Å; S462-M525 WeakPolarHBondContact OG-CG 3.47Å; S462-E528 PolarHBondContact OG-OE2 2.6Å; S462-M536 PolarHBondContact N-O 3.03Å; S462-I537 WeakPolarHBondContact O-CA 3.11Å; S462-A538 PolarHBondContact O-N 3.04Å
463	T	94.9	Very high	92	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.			trans	-150.8	172.6	177.4	-164	0	0	0	0	110.1	V470 I481 L505 F506 V507 P508 A538	T463-V470 WeakPolarHBondContact OG1-CG2 3.45Å; T463-I481 HydrophobicContact CG2-CD1 3.58Å; T463-L505 HydrophobicContact CG2-CB 4.02Å; T463-L505 HydrophobicContact CG2-CD1 4.48Å; T463-L505 HydrophobicContact CG2-CD2 4.02Å; T463-L505 HydrophobicContact CG2-CG 4.39Å; T463-F506 PolarHBondContact N-O 3.22Å; T463-F506 VanDerWaalsContact O-O 3.12Å; T463-V507 WeakPolarHBondContact O-CA 3.48Å; T463-P508 VanDerWaalsContact O-CD 3.26Å; T463-P508 WeakPolarHBondContact O-CD 3.12Å; T463-A538 WeakPolarHBondContact CB-O 3.35Å; T463-A538 PolarHBondContact OG1-O 3.5Å
464	I	91.8	Very high	92.1	Very high	21 Å²	21	48 Å²	48	11%	0.108	25%	0.249	C	C	.	.			trans	-137.9	144	179.5	-171.4	171	0	0	0	109.7	D466 V470 G511 Y513 M525 A539	I464-D466 VanDerWaalsContact C-N 3.28Å; I464-D466 HydrophobicContact CG2-CB 4.14Å; I464-D466 PolarHBondContact O-N 3.06Å; I464-V470 WeakPolarHBondContact O-CB 3.4Å; I464-V470 WeakPolarHBondContact O-CG2 3.39Å; I464-G511 WeakPolarHBondContact CD1-O 3.41Å; I464-Y513 HydrophobicContact CG2-CE1 4.23Å; I464-Y513 HydrophobicContact CG2-CE2 4.23Å; I464-M525 HydrophobicContact CB-CE 4.27Å; I464-M525 HydrophobicContact CB-SD 4.43Å; I464-M525 HydrophobicContact CG2-CE 3.77Å; I464-M525 HydrophobicContact CG2-SD 4.43Å; I464-A539 HydrophobicContact CG2-CB 4.42Å
465	L	90.6	Very high	92	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.356	27%	0.267	S	S	.	.			trans	-71.6	82.9	172.8	-73.9	158.8	0	0	0	109.7	V470 V475 I481	L465-V470 HydrophobicContact CD2-CG1 3.97Å; L465-V475 HydrophobicContact CD1-CG2 3.55Å; L465-I481 HydrophobicContact CG-CD1 4.34Å
466	D	88.9	Confident	92	Very high	14 Å²	14	48.8 Å²	48.8	8%	0.075	26%	0.256	C	S	.	.			trans	-134.2	106.4	176.3	-155.2	0.3	0	0	0	110.6	I464 F469 V470 Y513 F760	I464-D466 VanDerWaalsContact C-N 3.28Å; I464-D466 HydrophobicContact CG2-CB 4.14Å; I464-D466 PolarHBondContact O-N 3.06Å; D466-F469 PolarHBondContact O-N 3.28Å; D466-F469 VanDerWaalsContact O-N 3.09Å; D466-V470 CarbonylContact C-O 3.48Å; D466-V470 VanDerWaalsContact C-O 3.24Å; D466-V470 PolarHBondContact N-O 2.95Å; D466-V470 VanDerWaalsContact N-O 3.13Å; D466-V470 PolarHBondContact O-N 3.48Å; D466-V470 VanDerWaalsContact O-N 3.14Å; D466-Y513 PolarHBondContact OD2-OH 3.01Å; D466-F760 HydrophobicContact CB-CE1 4.19Å; D466-F760 WeakPolarHBondContact OD2-CE1 3.49Å
467	P	90.6	Very high	91.5	Very high	49 Å²	49	46.8 Å²	46.8	32%	0.318	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	137.6	177.9	-22.6	33.3	0	0	0	112.2	V471 F760 S763	P467-V471 HydrophobicContact CB-CG2 4.13Å; P467-F760 WeakPolarHBondContact O-CD1 3.45Å; P467-S763 PolarHBondContact O-OG 3.3Å
468	P	90.6	Very high	91	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	cis	-99.7	6.4	13	38.7	-37.7	0	0	0	114.7	F487 M821	P468-F487 WeakPolarHBondContact O-CB 3.22Å; P468-F487 PolarHBondContact O-N 3.37Å; P468-M821 HydrophobicContact CB-CE 3.65Å; P468-M821 HydrophobicContact CB-CG 4.42Å; P468-M821 HydrophobicContact CG-CE 3.38Å; P468-M821 HydrophobicContact CG-CG 3.97Å; P468-M821 HydrophobicContact CG-SD 4.02Å
469	F	93.3	Very high	90.4	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-45.7	-178.2	-68.2	-81.7	0	0	0	112.3	D466 G486 F487 A488 V558 L759 F760 L785	D466-F469 PolarHBondContact O-N 3.28Å; D466-F469 VanDerWaalsContact O-N 3.09Å; F469-G486 CarbonylContact O-C 3.56Å; F469-G486 VanDerWaalsContact O-C 3.24Å; F469-G486 VanDerWaalsContact O-CA 3.26Å; F469-G486 WeakPolarHBondContact O-CA 3.43Å; F469-F487 AromaticContact CD1-CD1 3.8Å; F469-F487 HydrophobicContact CD1-CD1 3.8Å; F469-F487 HydrophobicContact CD1-CE1 4.43Å; F469-F487 AromaticContact CE1-CD1 3.82Å; F469-F487 HydrophobicContact CE1-CD1 3.82Å; F469-F487 HydrophobicContact CE1-CE1 4.06Å; F469-F487 PolarHBondContact O-N 2.87Å; F469-F487 VanDerWaalsContact O-N 3.09Å; F469-A488 HydrophobicContact CB-CB 3.99Å; F469-A488 HydrophobicContact CD1-CB 4.23Å; F469-A488 WeakPolarHBondContact O-CB 3.46Å; F469-A488 PolarHBondContact O-N 3.13Å; F469-V558 HydrophobicContact CZ-CG2 4.46Å; F469-L759 HydrophobicContact CZ-CD1 4.26Å; F469-F760 HydrophobicContact CD2-CD1 4.37Å; F469-F760 AromaticContact CD2-CE1 3.55Å; F469-F760 HydrophobicContact CD2-CE1 3.55Å; F469-F760 AromaticContact CD2-CZ 3.86Å; F469-F760 HydrophobicContact CD2-CZ 3.86Å; F469-F760 HydrophobicContact CE2-CD1 4.48Å; F469-F760 AromaticContact CE2-CE1 3.78Å; F469-F760 HydrophobicContact CE2-CE1 3.78Å; F469-F760 HydrophobicContact CE2-CE2 4.4Å; F469-F760 AromaticContact CE2-CZ 3.72Å; F469-F760 HydrophobicContact CE2-CZ 3.72Å; F469-L785 HydrophobicContact CE1-CD1 4.32Å; F469-L785 HydrophobicContact CE2-CD1 4.01Å; F469-L785 HydrophobicContact CZ-CD1 3.42Å; F469-L785 VanDerWaalsContact CZ-CD1 3.42Å
470	V	93.8	Very high	90.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-136.2	112	170.3	-171	0	0	0	0	107.9	T463 I464 L465 D466 A484 I489	T463-V470 WeakPolarHBondContact OG1-CG2 3.45Å; I464-V470 WeakPolarHBondContact O-CB 3.4Å; I464-V470 WeakPolarHBondContact O-CG2 3.39Å; L465-V470 HydrophobicContact CD2-CG1 3.97Å; D466-V470 CarbonylContact C-O 3.48Å; D466-V470 VanDerWaalsContact C-O 3.24Å; D466-V470 PolarHBondContact N-O 2.95Å; D466-V470 VanDerWaalsContact N-O 3.13Å; D466-V470 PolarHBondContact O-N 3.48Å; D466-V470 VanDerWaalsContact O-N 3.14Å; V470-A484 HydrophobicContact CG1-CB 4.41Å; V470-I489 HydrophobicContact CG1-CG1 4.47Å; V470-I489 HydrophobicContact CG2-CD1 4.05Å; V470-I489 HydrophobicContact CG2-CG1 4.3Å
471	V	90.3	Very high	90	Very high	60 Å²	60	40 Å²	40	36%	0.364	25%	0.25	S	C	.	.			trans	-97.7	-47.4	-172.2	-178.1	0	0	0	0	111.4	P467 T485 W819	P467-V471 HydrophobicContact CB-CG2 4.13Å; V471-T485 PolarHBondContact N-O 3.32Å; V471-W819 HydrophobicContact CB-CZ3 3.99Å; V471-W819 HydrophobicContact CG2-CE3 3.82Å; V471-W819 HydrophobicContact CG2-CH2 4.39Å; V471-W819 HydrophobicContact CG2-CZ3 3.53Å
472	T	90.6	Very high	89.8	Confident	67 Å²	67	42.9 Å²	42.9	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.5	-178.8	70.7	0	0	0	0	110.3	A484 T485	T472-A484 CarbonylContact O-C 3.59Å; T472-A484 WeakPolarHBondContact O-CA 3.3Å; T472-T485 PolarHBondContact N-O 3.19Å; T472-T485 PolarHBondContact O-N 3.28Å; T472-T485 WeakPolarHBondContact OG1-CB 3.44Å; T472-T485 PolarHBondContact OG1-OG1 2.94Å
473	G	89.5	Confident	89.6	Confident	25 Å²	25	48.9 Å²	48.9	26%	0.258	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172	145.4	171.5	0	0	0	0	0	110.4
474	Q	89.2	Confident	89.5	Confident	124 Å²	124	49.7 Å²	49.7	58%	0.579	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.6	174	-61.7	175.2	-14.3	0	0	108.6	I481 I482	Q474-I481 WeakPolarHBondContact O-CA 3.41Å; Q474-I482 HydrophobicContact CB-CD1 4.33Å; Q474-I482 HydrophobicContact CB-CG1 3.89Å; Q474-I482 PolarHBondContact N-O 3.2Å; Q474-I482 WeakPolarHBondContact O-CG1 3.24Å; Q474-I482 PolarHBondContact O-N 3Å
475	V	87	Confident	89.6	Confident	78 Å²	78	51.5 Å²	51.5	47%	0.473	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.1	177.2	-171.2	0	0	0	0	108.9	L465 E480 I481 V507	L465-V475 HydrophobicContact CD1-CG2 3.55Å; V475-E480 CarbonylContact C-O 3.59Å; V475-E480 WeakPolarHBondContact CA-O 3.08Å; V475-I481 HydrophobicContact CG2-CG1 4.48Å; V475-V507 HydrophobicContact CG1-CG2 4.37Å; V475-V507 HydrophobicContact CG2-CG2 4.2Å
476	I	88.7	Confident	89.8	Confident	75 Å²	75	48.2 Å²	48.2	39%	0.385	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-82.4	156.7	174.2	-55.7	174.7	0	0	0	108.6	N478 G479 E480 I482	I476-N478 WeakPolarHBondContact CB-OD1 3.31Å; I476-N478 PolarHBondContact O-N 3.21Å; I476-G479 PolarHBondContact O-N 3.25Å; I476-E480 PolarHBondContact N-O 2.61Å; I476-I482 HydrophobicContact CD1-CB 4.38Å; I476-I482 HydrophobicContact CD1-CD1 3.92Å; I476-I482 HydrophobicContact CD1-CG1 3.95Å; I476-I482 HydrophobicContact CD1-CG2 3.58Å; I476-I482 HydrophobicContact CG1-CD1 4.2Å; I476-I482 HydrophobicContact CG1-CG1 4.09Å; I476-I482 HydrophobicContact CG1-CG2 4.49Å
477	G	79	Confident	90.1	Very high	91 Å²	91	47.6 Å²	47.6	94%	0.938	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.7	-175.4	0	0	0	0	0	116.8	G479	G477-G479 VanDerWaalsContact C-N 3.33Å
478	N	81.8	Confident	90.3	Very high	94 Å²	94	45.3 Å²	45.3	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	2.9	171.3	64.5	-15.8	0	0	0	113.7	I476 E480	I476-N478 WeakPolarHBondContact CB-OD1 3.31Å; I476-N478 PolarHBondContact O-N 3.21Å; N478-E480 VanDerWaalsContact C-N 3.32Å; N478-E480 PolarHBondContact ND2-OE2 3.41Å; N478-E480 WeakPolarHBondContact OD1-CB 3.22Å; N478-E480 PolarHBondContact OD1-N 3.32Å
479	G	84.2	Confident	90.6	Very high	20 Å²	20	45.2 Å²	45.2	21%	0.206	28%	0.279	C	S	.	.	S	Bend	trans	83.1	2.1	-173.4	0	0	0	0	0	114.2	I476 G477 F506 V507	I476-G479 PolarHBondContact O-N 3.25Å; G477-G479 VanDerWaalsContact C-N 3.33Å; G479-F506 CarbonylContact O-C 3.46Å; G479-F506 WeakPolarHBondContact O-CA 3.39Å; G479-V507 PolarHBondContact O-N 3.44Å
480	E	91.5	Very high	90.8	Very high	35 Å²	35	46.1 Å²	46.1	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.7	179.2	-171.3	171.2	-173.8	0	0	111.3	V475 I476 N478 R504 L505 F506	V475-E480 CarbonylContact C-O 3.59Å; V475-E480 WeakPolarHBondContact CA-O 3.08Å; I476-E480 PolarHBondContact N-O 2.61Å; N478-E480 VanDerWaalsContact C-N 3.32Å; N478-E480 PolarHBondContact ND2-OE2 3.41Å; N478-E480 WeakPolarHBondContact OD1-CB 3.22Å; N478-E480 PolarHBondContact OD1-N 3.32Å; E480-R504 WeakPolarHBondContact OE1-CD 3.39Å; E480-L505 CarbonylContact C-O 3.52Å; E480-L505 WeakPolarHBondContact CA-O 3.39Å; E480-L505 WeakPolarHBondContact CG-O 3.31Å; E480-F506 HydrophobicContact CB-CD1 4.11Å; E480-F506 HydrophobicContact CB-CE1 3.95Å; E480-F506 HydrophobicContact CG-CE1 4.17Å
481	I	91.4	Very high	90.9	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.1	176.5	-43.7	-178.4	0	0	0	109.2	T463 L465 Q474 V475 A484 L505 V507	T463-I481 HydrophobicContact CG2-CD1 3.58Å; L465-I481 HydrophobicContact CG-CD1 4.34Å; Q474-I481 WeakPolarHBondContact O-CA 3.41Å; V475-I481 HydrophobicContact CG2-CG1 4.48Å; I481-A484 HydrophobicContact CG2-CB 3.97Å; I481-L505 HydrophobicContact CB-CB 4.05Å; I481-L505 HydrophobicContact CG1-CB 4.45Å; I481-L505 PolarHBondContact N-O 3.1Å; I481-V507 HydrophobicContact CD1-CG2 3.33Å; I481-V507 HydrophobicContact CG1-CG2 3.46Å; I481-V507 VanDerWaalsContact CG1-CG2 3.46Å
482	I	91.7	Very high	91.2	Very high	61 Å²	61	43.3 Å²	43.3	31%	0.313	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.1	171	55.1	163.6	0	0	0	111.2	Q474 I476 A484	Q474-I482 HydrophobicContact CB-CD1 4.33Å; Q474-I482 HydrophobicContact CB-CG1 3.89Å; Q474-I482 PolarHBondContact N-O 3.2Å; Q474-I482 WeakPolarHBondContact O-CG1 3.24Å; Q474-I482 PolarHBondContact O-N 3Å; I476-I482 HydrophobicContact CD1-CB 4.38Å; I476-I482 HydrophobicContact CD1-CD1 3.92Å; I476-I482 HydrophobicContact CD1-CG1 3.95Å; I476-I482 HydrophobicContact CD1-CG2 3.58Å; I476-I482 HydrophobicContact CG1-CD1 4.2Å; I476-I482 HydrophobicContact CG1-CG1 4.09Å; I476-I482 HydrophobicContact CG1-CG2 4.49Å; I482-A484 PolarHBondContact O-N 2.96Å
483	N	91.6	Very high	91.5	Very high	126 Å²	126	42.9 Å²	42.9	67%	0.674	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.5	39.3	-178.3	-61.2	-27.4	0	0	0	113
484	A	92.8	Very high	91.8	Very high	17 Å²	17	44.3 Å²	44.3	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.5	178.9	0	0	0	0	0	110.5	V470 T472 I481 I482 I489 L505	V470-A484 HydrophobicContact CG1-CB 4.41Å; T472-A484 CarbonylContact O-C 3.59Å; T472-A484 WeakPolarHBondContact O-CA 3.3Å; I481-A484 HydrophobicContact CG2-CB 3.97Å; I482-A484 PolarHBondContact O-N 2.96Å; A484-I489 HydrophobicContact CB-CD1 4.09Å; A484-I489 HydrophobicContact CB-CG1 4.07Å; A484-L505 HydrophobicContact CB-CD1 3.34Å
485	T	94.9	Very high	92.1	Very high	58 Å²	58	38.4 Å²	38.4	36%	0.356	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.2	170.8	77.4	0	0	0	0	110.2	V471 T472	V471-T485 PolarHBondContact N-O 3.32Å; T472-T485 PolarHBondContact N-O 3.19Å; T472-T485 PolarHBondContact O-N 3.28Å; T472-T485 WeakPolarHBondContact OG1-CB 3.44Å; T472-T485 PolarHBondContact OG1-OG1 2.94Å
486	G	94.1	Very high	92.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	158.9	173.9	-179.3	0	0	0	0	0	111.3	F469 A488 I489 D490 W819	F469-G486 CarbonylContact O-C 3.56Å; F469-G486 VanDerWaalsContact O-C 3.24Å; F469-G486 VanDerWaalsContact O-CA 3.26Å; F469-G486 WeakPolarHBondContact O-CA 3.43Å; G486-A488 PolarHBondContact O-N 2.78Å; G486-I489 PolarHBondContact O-N 3.31Å; G486-D490 PolarHBondContact O-N 3.48Å; G486-W819 VanDerWaalsContact C-CZ2 3.42Å; G486-W819 VanDerWaalsContact CA-CH2 3.44Å
487	F	95.2	Very high	92.9	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-42.4	179.4	173.4	-96.1	0	0	0	113.4	P468 F469 I489 D490 V491 I557 V558 I812 F815 M816 W819 M821	P468-F487 WeakPolarHBondContact O-CB 3.22Å; P468-F487 PolarHBondContact O-N 3.37Å; F469-F487 AromaticContact CD1-CD1 3.8Å; F469-F487 HydrophobicContact CD1-CD1 3.8Å; F469-F487 HydrophobicContact CD1-CE1 4.43Å; F469-F487 AromaticContact CE1-CD1 3.82Å; F469-F487 HydrophobicContact CE1-CD1 3.82Å; F469-F487 HydrophobicContact CE1-CE1 4.06Å; F469-F487 PolarHBondContact O-N 2.87Å; F469-F487 VanDerWaalsContact O-N 3.09Å; F487-I489 PolarHBondContact O-N 3.46Å; F487-D490 PolarHBondContact O-N 2.99Å; F487-V491 HydrophobicContact CE1-CG2 4.25Å; F487-V491 HydrophobicContact CE2-CG2 4.44Å; F487-V491 HydrophobicContact CZ-CG2 4.2Å; F487-V491 WeakPolarHBondContact O-CG2 3.24Å; F487-V491 PolarHBondContact O-N 3.19Å; F487-V491 VanDerWaalsContact O-N 3.08Å; F487-I557 HydrophobicContact CE1-CG2 3.71Å; F487-I557 HydrophobicContact CZ-CG2 3.82Å; F487-V558 HydrophobicContact CE1-CG1 4.12Å; F487-V558 HydrophobicContact CZ-CG1 3.7Å; F487-I812 HydrophobicContact CE2-CG2 4.33Å; F487-I812 HydrophobicContact CZ-CG2 3.93Å; F487-F815 HydrophobicContact CD2-CB 3.63Å; F487-F815 HydrophobicContact CE2-CB 3.67Å; F487-M816 HydrophobicContact CE2-CB 4.46Å; F487-M816 HydrophobicContact CE2-CG 3.62Å; F487-M816 HydrophobicContact CZ-CG 4.04Å; F487-W819 HydrophobicContact CB-CB 4.41Å; F487-W819 HydrophobicContact CB-CG 3.99Å; F487-M821 HydrophobicContact CB-CE 3.09Å; F487-M821 HydrophobicContact CD1-CE 3.69Å; F487-M821 HydrophobicContact CD1-SD 4.4Å; F487-M821 HydrophobicContact CD2-CE 3.47Å; F487-M821 VanDerWaalsContact CD2-CE 3.47Å; F487-M821 HydrophobicContact CD2-SD 4.1Å; F487-M821 HydrophobicContact CE1-CE 4.43Å; F487-M821 HydrophobicContact CE2-CE 4.25Å; F487-M821 HydrophobicContact CE2-SD 4.34Å; F487-M821 HydrophobicContact CG-CE 3.14Å; F487-M821 HydrophobicContact CG-SD 4.14Å
488	A	95.7	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-34.4	176.5	0	0	0	0	0	111	F469 G486 L492 F787	F469-A488 HydrophobicContact CB-CB 3.99Å; F469-A488 HydrophobicContact CD1-CB 4.23Å; F469-A488 WeakPolarHBondContact O-CB 3.46Å; F469-A488 PolarHBondContact O-N 3.13Å; G486-A488 PolarHBondContact O-N 2.78Å; A488-L492 WeakPolarHBondContact O-CB 3.32Å; A488-L492 PolarHBondContact O-N 3.49Å; A488-F787 HydrophobicContact CB-CE1 3.93Å; A488-F787 HydrophobicContact CB-CZ 4.03Å; A488-F787 WeakPolarHBondContact O-CZ 3.12Å
489	I	96.7	Very high	94.2	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-42.5	178.3	-53.1	-49.7	0	0	0	111.4	V470 A484 G486 F487 V491 L492 N493 L505	V470-I489 HydrophobicContact CG1-CG1 4.47Å; V470-I489 HydrophobicContact CG2-CD1 4.05Å; V470-I489 HydrophobicContact CG2-CG1 4.3Å; A484-I489 HydrophobicContact CB-CD1 4.09Å; A484-I489 HydrophobicContact CB-CG1 4.07Å; G486-I489 PolarHBondContact O-N 3.31Å; F487-I489 PolarHBondContact O-N 3.46Å; I489-V491 PolarHBondContact O-N 3.36Å; I489-L492 PolarHBondContact O-N 3.43Å; I489-N493 WeakPolarHBondContact O-CB 3.47Å; I489-N493 VanDerWaalsContact O-CG 3.24Å; I489-N493 PolarHBondContact O-N 2.84Å; I489-N493 PolarHBondContact O-ND2 2.8Å; I489-L505 HydrophobicContact CD1-CD1 3.72Å; I489-L505 HydrophobicContact CD1-CD2 4.4Å
490	D	96.6	Very high	94.7	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175.7	-76.7	-26.6	0	0	0	111.4	G486 F487 L492 N493 E494 F815 K818 W819	G486-D490 PolarHBondContact O-N 3.48Å; F487-D490 PolarHBondContact O-N 2.99Å; D490-L492 VanDerWaalsContact C-N 3.34Å; D490-L492 PolarHBondContact O-N 2.84Å; D490-N493 PolarHBondContact O-N 2.97Å; D490-E494 PolarHBondContact O-N 3.04Å; D490-F815 HydrophobicContact CB-CD1 3.99Å; D490-F815 HydrophobicContact CB-CD2 4.08Å; D490-F815 HydrophobicContact CB-CE1 3.97Å; D490-F815 HydrophobicContact CB-CE2 4.04Å; D490-F815 HydrophobicContact CB-CG 4.06Å; D490-F815 HydrophobicContact CB-CZ 4Å; D490-K818 VanDerWaalsContact CG-NZ 3.31Å; D490-K818 IonicContact OD1-NZ 3.75Å; D490-K818 PolarHBondContact OD1-NZ 2.99Å; D490-K818 VanDerWaalsContact OD1-NZ 3.13Å; D490-K818 WeakPolarHBondContact OD2-CE 3.4Å; D490-K818 IonicContact OD2-NZ 3.29Å; D490-K818 PolarHBondContact OD2-NZ 3.1Å; D490-W819 PolarHBondContact OD2-NE1 3.43Å
491	V	96.4	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-40.3	175.6	174.3	0	0	0	0	111.4	F487 I489 N493 E494 L495 I557 F787 M803 I812 F815	F487-V491 HydrophobicContact CE1-CG2 4.25Å; F487-V491 HydrophobicContact CE2-CG2 4.44Å; F487-V491 HydrophobicContact CZ-CG2 4.2Å; F487-V491 WeakPolarHBondContact O-CG2 3.24Å; F487-V491 PolarHBondContact O-N 3.19Å; F487-V491 VanDerWaalsContact O-N 3.08Å; I489-V491 PolarHBondContact O-N 3.36Å; V491-N493 VanDerWaalsContact C-N 3.33Å; V491-N493 PolarHBondContact O-N 2.84Å; V491-E494 PolarHBondContact O-N 2.84Å; V491-L495 PolarHBondContact O-N 2.79Å; V491-L495 VanDerWaalsContact O-N 3.16Å; V491-I557 HydrophobicContact CG1-CD1 4.4Å; V491-I557 HydrophobicContact CG2-CG2 4.37Å; V491-F787 HydrophobicContact CB-CE2 4.45Å; V491-F787 HydrophobicContact CB-CZ 4.19Å; V491-F787 HydrophobicContact CG1-CE2 3.91Å; V491-F787 HydrophobicContact CG1-CZ 4Å; V491-M803 HydrophobicContact CG1-CE 3.51Å; V491-M803 HydrophobicContact CG1-SD 3.68Å; V491-I812 HydrophobicContact CG1-CD1 4.39Å; V491-I812 HydrophobicContact CG2-CD1 3.82Å; V491-F815 HydrophobicContact CG2-CD2 3.89Å; V491-F815 HydrophobicContact CG2-CE2 4.38Å
492	L	96.6	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-36.4	176.7	-179.8	62.9	0	0	0	112.1	I461 A488 I489 D490 L495 A496 F501 Y503 L505 M536 A538 F787	I461-L492 HydrophobicContact CD1-CD1 3.6Å; I461-L492 HydrophobicContact CD1-CD2 3.84Å; I461-L492 HydrophobicContact CD1-CG 4.28Å; I461-L492 HydrophobicContact CG2-CD2 4.43Å; A488-L492 WeakPolarHBondContact O-CB 3.32Å; A488-L492 PolarHBondContact O-N 3.49Å; I489-L492 PolarHBondContact O-N 3.43Å; D490-L492 VanDerWaalsContact C-N 3.34Å; D490-L492 PolarHBondContact O-N 2.84Å; L492-L495 WeakPolarHBondContact O-CB 3.27Å; L492-L495 PolarHBondContact O-N 2.78Å; L492-A496 WeakPolarHBondContact O-CB 3.4Å; L492-A496 PolarHBondContact O-N 2.78Å; L492-F501 HydrophobicContact CD1-CE2 4.13Å; L492-F501 HydrophobicContact CD1-CZ 4.08Å; L492-Y503 HydrophobicContact CD2-CD1 4.09Å; L492-Y503 HydrophobicContact CD2-CD2 3.72Å; L492-Y503 HydrophobicContact CD2-CE1 3.95Å; L492-Y503 HydrophobicContact CD2-CE2 3.57Å; L492-Y503 HydrophobicContact CD2-CG 3.98Å; L492-Y503 HydrophobicContact CG-CD1 4.06Å; L492-Y503 HydrophobicContact CG-CE1 3.86Å; L492-Y503 HydrophobicContact CG-CE2 4.39Å; L492-Y503 HydrophobicContact CG-CG 4.41Å; L492-L505 HydrophobicContact CD2-CD2 3.97Å; L492-M536 HydrophobicContact CD1-SD 4.22Å; L492-A538 HydrophobicContact CD1-CB 4.37Å; L492-A538 HydrophobicContact CD2-CB 4Å; L492-F787 HydrophobicContact CB-CE2 4.27Å
493	N	96.8	Very high	95.4	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	19%	0.188	S	C	.	.	H	α-helix	trans	-64.2	-41.3	175	-75	-27.3	0	0	0	112.1	I489 D490 V491 L495 A496 I497 Y503	I489-N493 WeakPolarHBondContact O-CB 3.47Å; I489-N493 VanDerWaalsContact O-CG 3.24Å; I489-N493 PolarHBondContact O-N 2.84Å; I489-N493 PolarHBondContact O-ND2 2.8Å; D490-N493 PolarHBondContact O-N 2.97Å; V491-N493 VanDerWaalsContact C-N 3.33Å; V491-N493 PolarHBondContact O-N 2.84Å; N493-L495 VanDerWaalsContact C-N 3.32Å; N493-L495 PolarHBondContact O-N 2.92Å; N493-A496 WeakPolarHBondContact O-CB 3.49Å; N493-A496 PolarHBondContact O-N 2.83Å; N493-I497 VanDerWaalsContact O-CG1 3.28Å; N493-I497 WeakPolarHBondContact O-CG1 3.43Å; N493-I497 PolarHBondContact O-N 2.96Å; N493-Y503 WeakPolarHBondContact OD1-CE1 3.33Å; N493-Y503 PolarHBondContact OD1-OH 3.27Å
494	E	96	Very high	95.6	Very high	55 Å²	55	35.3 Å²	35.3	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-41.5	173.9	-69	-64.2	150.7	0	0	111.5	D490 V491 H498 L806 I811 F815	D490-E494 PolarHBondContact O-N 3.04Å; V491-E494 PolarHBondContact O-N 2.84Å; E494-H498 PolarHBondContact O-N 3.18Å; E494-H498 VanDerWaalsContact O-N 3.12Å; E494-L806 HydrophobicContact CB-CD1 3.94Å; E494-L806 HydrophobicContact CB-CD2 4.33Å; E494-I811 HydrophobicContact CG-CG2 4.44Å; E494-F815 HydrophobicContact CG-CE2 3.79Å; E494-F815 HydrophobicContact CG-CZ 3.82Å
495	L	95.9	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-43.5	173.7	-72.7	168	0	0	0	111.9	V491 L492 N493 H498 F499 F501 F787 M799 Y802 M803	V491-L495 PolarHBondContact O-N 2.79Å; V491-L495 VanDerWaalsContact O-N 3.16Å; L492-L495 WeakPolarHBondContact O-CB 3.27Å; L492-L495 PolarHBondContact O-N 2.78Å; N493-L495 VanDerWaalsContact C-N 3.32Å; N493-L495 PolarHBondContact O-N 2.92Å; L495-H498 PolarHBondContact O-N 3.31Å; L495-F499 HydrophobicContact CD2-CD2 4.27Å; L495-F499 HydrophobicContact CD2-CE2 4.06Å; L495-F499 PolarHBondContact O-N 3.49Å; L495-F501 VanDerWaalsContact C-CE1 3.44Å; L495-F501 HydrophobicContact CB-CE1 4.15Å; L495-F501 HydrophobicContact CB-CZ 4.04Å; L495-F501 VanDerWaalsContact O-CE1 3.26Å; L495-F501 WeakPolarHBondContact O-CE1 3.4Å; L495-F787 HydrophobicContact CD1-CD2 3.86Å; L495-F787 HydrophobicContact CD1-CE2 3.88Å; L495-M799 HydrophobicContact CB-CE 4.44Å; L495-M799 HydrophobicContact CD2-CB 4.28Å; L495-M799 HydrophobicContact CD2-CE 4.49Å; L495-M799 HydrophobicContact CD2-CG 4.3Å; L495-Y802 HydrophobicContact CD2-CD1 3.8Å; L495-M803 HydrophobicContact CD1-CE 3.82Å; L495-M803 HydrophobicContact CG-CE 4.43Å
496	A	96.2	Very high	95.8	Very high	12 Å²	12	34.1 Å²	34.1	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-43.6	-180	0	0	0	0	0	112.2	L492 N493 N500 F501 Y503	L492-A496 WeakPolarHBondContact O-CB 3.4Å; L492-A496 PolarHBondContact O-N 2.78Å; N493-A496 WeakPolarHBondContact O-CB 3.49Å; N493-A496 PolarHBondContact O-N 2.83Å; A496-N500 VanDerWaalsContact O-CA 3.22Å; A496-N500 WeakPolarHBondContact O-CA 3.49Å; A496-N500 PolarHBondContact O-N 2.99Å; A496-F501 HydrophobicContact CB-CD2 4.26Å; A496-F501 HydrophobicContact CB-CE1 4.26Å; A496-F501 HydrophobicContact CB-CE2 3.97Å; A496-F501 HydrophobicContact CB-CZ 3.97Å; A496-F501 WeakPolarHBondContact CB-O 3.25Å; A496-F501 PolarHBondContact O-N 3.14Å; A496-F501 VanDerWaalsContact O-N 3.13Å; A496-Y503 HydrophobicContact CB-CD1 4.16Å; A496-Y503 HydrophobicContact CB-CE1 4.13Å
497	I	95.5	Very high	95.7	Very high	130 Å²	130	35.8 Å²	35.8	67%	0.667	18%	0.178	S	C	*	.	H	α-helix	trans	-64.9	-47.1	177.1	-68	164.7	0	0	0	110.6	N493	N493-I497 VanDerWaalsContact O-CG1 3.28Å; N493-I497 WeakPolarHBondContact O-CG1 3.43Å; N493-I497 PolarHBondContact O-N 2.96Å
498	H	94.2	Very high	95.5	Very high	54 Å²	54	36 Å²	36	25%	0.25	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-47.4	-175.9	-175	-89.9	0	0	0	113.1	R440 E494 L495 Y802	R440-H498 PolarHBondContact O-CE1 2.84Å; E494-H498 PolarHBondContact O-N 3.18Å; E494-H498 VanDerWaalsContact O-N 3.12Å; L495-H498 PolarHBondContact O-N 3.31Å; H498-Y802 HydrophobicContact CB-CD1 4.07Å; H498-Y802 HydrophobicContact CB-CE1 3.43Å; H498-Y802 VanDerWaalsContact CB-CE1 3.43Å; H498-Y802 HydrophobicContact CB-CE2 4.23Å; H498-Y802 AromaticContact CD2-CD2 3.93Å; H498-Y802 AromaticContact CD2-CE2 3.34Å; H498-Y802 WeakPolarHBondContact CD2-CE2 3.43Å; H498-Y802 AromaticContact CD2-CZ 3.48Å; H498-Y802 VanDerWaalsContact CD2-CZ 3.48Å; H498-Y802 AromaticContact CG-CE1 3.73Å; H498-Y802 AromaticContact CG-CE2 3.7Å; H498-Y802 AromaticContact CG-CZ 3.5Å; H498-Y802 AromaticContact NE2-CD2 3.98Å; H498-Y802 AromaticContact NE2-CE2 3.78Å
499	F	94.7	Very high	94.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-92.8	5	-177.2	-66.5	-73.5	0	0	0	113.8	F451 F454 L495 F501 P798 M799 Y802	F451-F499 HydrophobicContact CD1-CD1 4.3Å; F451-F499 HydrophobicContact CD1-CE1 4.4Å; F451-F499 AromaticContact CE1-CD1 3.64Å; F451-F499 HydrophobicContact CE1-CD1 3.64Å; F451-F499 HydrophobicContact CE1-CE1 4.14Å; F451-F499 HydrophobicContact CE1-CG 4.3Å; F454-F499 HydrophobicContact CD2-CB 3.82Å; F454-F499 HydrophobicContact CE2-CB 4.11Å; F454-F499 PolarHBondContact N-O 3.06Å; L495-F499 HydrophobicContact CD2-CD2 4.27Å; L495-F499 HydrophobicContact CD2-CE2 4.06Å; L495-F499 PolarHBondContact O-N 3.49Å; F499-F501 HydrophobicContact CB-CD1 3.92Å; F499-F501 HydrophobicContact CB-CE1 4.12Å; F499-P798 HydrophobicContact CE1-CB 3.98Å; F499-P798 HydrophobicContact CZ-CB 4.06Å; F499-M799 HydrophobicContact CD2-CE 3.96Å; F499-M799 HydrophobicContact CD2-CG 3.81Å; F499-M799 HydrophobicContact CE2-CB 4.21Å; F499-M799 HydrophobicContact CE2-CG 3.52Å; F499-M799 HydrophobicContact CG-CE 4.43Å; F499-M799 HydrophobicContact CG-CG 4.48Å; F499-M799 HydrophobicContact CZ-CG 3.96Å; F499-Y802 HydrophobicContact CE2-CD1 4.08Å; F499-Y802 HydrophobicContact CE2-CG 4.2Å
500	N	94.2	Very high	94.2	Very high	57 Å²	57	48.9 Å²	48.9	31%	0.305	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	62.5	176.4	-166	18.5	0	0	0	113.6	H456 A496	H456-N500 WeakPolarHBondContact CA-O 3.33Å; H456-N500 PolarHBondContact CD2-ND2 3.07Å; H456-N500 PolarHBondContact CD2-OD1 2.9Å; H456-N500 PolarHBondContact CE1-ND2 3.49Å; H456-N500 PolarHBondContact N-O 3.46Å; H456-N500 PolarHBondContact NE2-ND2 3.38Å; H456-N500 PolarHBondContact NE2-OD1 2.98Å; A496-N500 VanDerWaalsContact O-CA 3.22Å; A496-N500 WeakPolarHBondContact O-CA 3.49Å; A496-N500 PolarHBondContact O-N 2.99Å
501	F	96.5	Very high	93.6	Very high	7 Å²	7	49 Å²	49	3%	0.031	25%	0.249	C	C	.	.			trans	-129	152.6	172.4	65.8	-88.3	0	0	0	111.5	F454 K457 L459 I461 L492 L495 A496 F499 Y503 M799	F454-F501 HydrophobicContact CB-CB 3.68Å; F454-F501 HydrophobicContact CD2-CB 3.82Å; F454-F501 AromaticContact CD2-CD1 3.43Å; F454-F501 HydrophobicContact CD2-CD1 3.43Å; F454-F501 VanDerWaalsContact CD2-CD1 3.43Å; F454-F501 HydrophobicContact CD2-CE1 4.25Å; F454-F501 AromaticContact CD2-CG 3.91Å; F454-F501 HydrophobicContact CD2-CG 3.91Å; F454-F501 AromaticContact CE2-CD1 3.81Å; F454-F501 HydrophobicContact CE2-CD1 3.81Å; F454-F501 HydrophobicContact CE2-CE1 4.19Å; F454-F501 HydrophobicContact CE2-CG 4.42Å; F454-F501 HydrophobicContact CG-CB 3.88Å; F454-F501 HydrophobicContact CG-CD1 4.34Å; F454-F501 HydrophobicContact CG-CG 4.42Å; K457-F501 WeakPolarHBondContact O-CA 3.22Å; K457-F501 VanDerWaalsContact O-CB 3.32Å; K457-F501 WeakPolarHBondContact O-CB 3.29Å; L459-F501 HydrophobicContact CB-CD2 4.39Å; L459-F501 HydrophobicContact CD1-CB 4.35Å; L459-F501 HydrophobicContact CD1-CD1 4.43Å; L459-F501 HydrophobicContact CD1-CD2 3.64Å; L459-F501 HydrophobicContact CD1-CE2 3.96Å; L459-F501 HydrophobicContact CD1-CG 3.91Å; L459-F501 HydrophobicContact CD1-CZ 4.45Å; L459-F501 HydrophobicContact CG-CB 4.34Å; L459-F501 HydrophobicContact CG-CD2 3.98Å; L459-F501 HydrophobicContact CG-CG 4.32Å; I461-F501 HydrophobicContact CD1-CE2 4.3Å; L492-F501 HydrophobicContact CD1-CE2 4.13Å; L492-F501 HydrophobicContact CD1-CZ 4.08Å; L495-F501 VanDerWaalsContact C-CE1 3.44Å; L495-F501 HydrophobicContact CB-CE1 4.15Å; L495-F501 HydrophobicContact CB-CZ 4.04Å; L495-F501 VanDerWaalsContact O-CE1 3.26Å; L495-F501 WeakPolarHBondContact O-CE1 3.4Å; A496-F501 HydrophobicContact CB-CD2 4.26Å; A496-F501 HydrophobicContact CB-CE1 4.26Å; A496-F501 HydrophobicContact CB-CE2 3.97Å; A496-F501 HydrophobicContact CB-CZ 3.97Å; A496-F501 WeakPolarHBondContact CB-O 3.25Å; A496-F501 PolarHBondContact O-N 3.14Å; A496-F501 VanDerWaalsContact O-N 3.13Å; F499-F501 HydrophobicContact CB-CD1 3.92Å; F499-F501 HydrophobicContact CB-CE1 4.12Å; F501-Y503 HydrophobicContact CD2-CD1 4.46Å; F501-Y503 HydrophobicContact CE2-CD1 4.09Å; F501-M799 HydrophobicContact CD1-CE 4.28Å; F501-M799 HydrophobicContact CE1-CE 3.4Å; F501-M799 VanDerWaalsContact CE1-CE 3.4Å; F501-M799 HydrophobicContact CZ-CE 3.86Å
502	S	96.7	Very high	93.2	Very high	66 Å²	66	50.5 Å²	50.5	46%	0.462	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	161.5	165.8	-65.6	0	0	0	0	109	K457 T458 L459	K457-S502 PolarHBondContact O-N 3.38Å; K457-S502 VanDerWaalsContact O-N 3.08Å; T458-S502 CarbonylContact C-O 3.53Å; T458-S502 VanDerWaalsContact CA-O 3.22Å; T458-S502 WeakPolarHBondContact CA-O 3.34Å; L459-S502 PolarHBondContact N-O 3.3Å
503	Y	96.3	Very high	92.9	Very high	56 Å²	56	51.1 Å²	51.1	22%	0.22	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.4	178.5	61.9	-93.8	0	0	0	113.1	L459 I461 L492 N493 A496 F501 L505	L459-Y503 CarbonylContact O-C 3.57Å; L459-Y503 VanDerWaalsContact O-CA 3.24Å; L459-Y503 WeakPolarHBondContact O-CA 3.19Å; I461-Y503 VanDerWaalsContact CD1-CB 3.49Å; I461-Y503 HydrophobicContact CD1-CD2 4.42Å; I461-Y503 HydrophobicContact CD1-CG 3.99Å; L492-Y503 HydrophobicContact CD2-CD1 4.09Å; L492-Y503 HydrophobicContact CD2-CD2 3.72Å; L492-Y503 HydrophobicContact CD2-CE1 3.95Å; L492-Y503 HydrophobicContact CD2-CE2 3.57Å; L492-Y503 HydrophobicContact CD2-CG 3.98Å; L492-Y503 HydrophobicContact CG-CD1 4.06Å; L492-Y503 HydrophobicContact CG-CE1 3.86Å; L492-Y503 HydrophobicContact CG-CE2 4.39Å; L492-Y503 HydrophobicContact CG-CG 4.41Å; N493-Y503 WeakPolarHBondContact OD1-CE1 3.33Å; N493-Y503 PolarHBondContact OD1-OH 3.27Å; A496-Y503 HydrophobicContact CB-CD1 4.16Å; A496-Y503 HydrophobicContact CB-CE1 4.13Å; F501-Y503 HydrophobicContact CD2-CD1 4.46Å; F501-Y503 HydrophobicContact CE2-CD1 4.09Å; Y503-L505 HydrophobicContact CD2-CD2 3.78Å; Y503-L505 HydrophobicContact CD2-CG 3.86Å; Y503-L505 HydrophobicContact CE2-CD1 4Å; Y503-L505 HydrophobicContact CE2-CD2 3.9Å; Y503-L505 HydrophobicContact CE2-CG 3.83Å
504	R	95.9	Very high	92.5	Very high	140 Å²	140	48.3 Å²	48.3	53%	0.528	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.6	168.8	-67.7	-177.3	-175.7	175.5	0.6	108.9	T458 L459 I461 E480 F506	T458-R504 HydrophobicContact CG2-CG 4.06Å; L459-R504 PolarHBondContact O-N 3.12Å; I461-R504 PolarHBondContact N-O 3.42Å; E480-R504 WeakPolarHBondContact OE1-CD 3.39Å; R504-F506 HydrophobicContact CB-CE2 3.72Å; R504-F506 HydrophobicContact CB-CZ 3.99Å
505	L	96.2	Very high	92.1	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.8	-175.6	-62.8	172.3	0	0	0	110	I461 T463 E480 I481 A484 I489 L492 Y503	I461-L505 HydrophobicContact CB-CD2 4.05Å; I461-L505 HydrophobicContact CG2-CD2 3.99Å; I461-L505 CarbonylContact O-C 3.53Å; I461-L505 VanDerWaalsContact O-CA 3.31Å; I461-L505 WeakPolarHBondContact O-CA 3.26Å; T463-L505 HydrophobicContact CG2-CB 4.02Å; T463-L505 HydrophobicContact CG2-CD1 4.48Å; T463-L505 HydrophobicContact CG2-CD2 4.02Å; T463-L505 HydrophobicContact CG2-CG 4.39Å; E480-L505 CarbonylContact C-O 3.52Å; E480-L505 WeakPolarHBondContact CA-O 3.39Å; E480-L505 WeakPolarHBondContact CG-O 3.31Å; I481-L505 HydrophobicContact CB-CB 4.05Å; I481-L505 HydrophobicContact CG1-CB 4.45Å; I481-L505 PolarHBondContact N-O 3.1Å; A484-L505 HydrophobicContact CB-CD1 3.34Å; I489-L505 HydrophobicContact CD1-CD1 3.72Å; I489-L505 HydrophobicContact CD1-CD2 4.4Å; L492-L505 HydrophobicContact CD2-CD2 3.97Å; Y503-L505 HydrophobicContact CD2-CD2 3.78Å; Y503-L505 HydrophobicContact CD2-CG 3.86Å; Y503-L505 HydrophobicContact CE2-CD1 4Å; Y503-L505 HydrophobicContact CE2-CD2 3.9Å; Y503-L505 HydrophobicContact CE2-CG 3.83Å
506	F	95	Very high	91.7	Very high	44 Å²	44	48.3 Å²	48.3	19%	0.193	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.4	177.7	-61.8	-83.3	0	0	0	110.4	R460 I461 S462 T463 G479 E480 R504	R460-F506 HydrophobicContact CB-CD2 4.27Å; R460-F506 HydrophobicContact CB-CE2 3.93Å; R460-F506 HydrophobicContact CG-CE2 4Å; I461-F506 PolarHBondContact O-N 3.26Å; S462-F506 CarbonylContact C-O 3.6Å; S462-F506 WeakPolarHBondContact CA-O 3.26Å; T463-F506 PolarHBondContact N-O 3.22Å; T463-F506 VanDerWaalsContact O-O 3.12Å; G479-F506 CarbonylContact O-C 3.46Å; G479-F506 WeakPolarHBondContact O-CA 3.39Å; E480-F506 HydrophobicContact CB-CD1 4.11Å; E480-F506 HydrophobicContact CB-CE1 3.95Å; E480-F506 HydrophobicContact CG-CE1 4.17Å; R504-F506 HydrophobicContact CB-CE2 3.72Å; R504-F506 HydrophobicContact CB-CZ 3.99Å
507	V	93.1	Very high	91.1	Very high	35 Å²	35	51.7 Å²	51.7	21%	0.212	27%	0.266	C	S	.	.			trans	-84.4	134.2	168.1	-174.4	0	0	0	0	108.6	T463 V475 G479 I481	T463-V507 WeakPolarHBondContact O-CA 3.48Å; V475-V507 HydrophobicContact CG1-CG2 4.37Å; V475-V507 HydrophobicContact CG2-CG2 4.2Å; G479-V507 PolarHBondContact O-N 3.44Å; I481-V507 HydrophobicContact CD1-CG2 3.33Å; I481-V507 HydrophobicContact CG1-CG2 3.46Å; I481-V507 VanDerWaalsContact CG1-CG2 3.46Å
508	P	90.1	Very high	90.4	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	28%	0.278	C	S	.	.			trans	-62.4	147.2	174.7	28.8	-38.3	0	0	0	111.4	T463 N510 G511 M525 E528	T463-P508 VanDerWaalsContact O-CD 3.26Å; T463-P508 WeakPolarHBondContact O-CD 3.12Å; P508-N510 PolarHBondContact O-N 3.3Å; P508-N510 VanDerWaalsContact O-N 3.13Å; P508-G511 PolarHBondContact O-N 3.11Å; P508-M525 HydrophobicContact CB-CG 4.12Å; P508-M525 HydrophobicContact CG-CG 3.61Å; P508-E528 VanDerWaalsContact CA-OE1 3.31Å; P508-E528 WeakPolarHBondContact CA-OE1 3.39Å
509	Q	84.2	Confident	90	Very high	164 Å²	164	61.1 Å²	61.1	77%	0.766	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.3	-176.7	-66.5	-178.4	-6.6	0	0	113.9
510	N	81.5	Confident	89.5	Confident	112 Å²	112	62.9 Å²	62.9	60%	0.599	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.7	178.9	-67.1	-4	0	0	0	113.4	P508 T512	P508-N510 PolarHBondContact O-N 3.3Å; P508-N510 VanDerWaalsContact O-N 3.13Å; N510-T512 HydrophobicContact CB-CG2 4.36Å; N510-T512 PolarHBondContact O-N 3.13Å
511	G	84.5	Confident	89.3	Confident	27 Å²	27	66.4 Å²	66.4	28%	0.278	34%	0.337	S	S	.	.			trans	64.1	23.3	-175.5	0	0	0	0	0	114.3	I464 P508	I464-G511 WeakPolarHBondContact CD1-O 3.41Å; P508-G511 PolarHBondContact O-N 3.11Å
512	T	87.9	Confident	89	Confident	33 Å²	33	67.1 Å²	67.1	20%	0.202	34%	0.34	C	S	.	.			trans	-112.9	153.1	-177.2	61.9	0	0	0	0	112.4	N510 G514 D523 G524 M525	N510-T512 HydrophobicContact CB-CG2 4.36Å; N510-T512 PolarHBondContact O-N 3.13Å; T512-G514 PolarHBondContact O-N 3.15Å; T512-D523 PolarHBondContact OG1-OD2 3.26Å; T512-G524 VanDerWaalsContact O-CA 3.3Å; T512-G524 WeakPolarHBondContact O-CA 3.19Å; T512-G524 WeakPolarHBondContact OG1-CA 3.39Å; T512-M525 PolarHBondContact O-N 2.71Å
513	Y	89.8	Confident	88.7	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.051	33%	0.327	C	S	.	.			trans	-63.7	-28.1	172.5	-77.4	-90.9	0	0	0	113.1	I464 D466 M525 M526 A539 L541 M704 F760	I464-Y513 HydrophobicContact CG2-CE1 4.23Å; I464-Y513 HydrophobicContact CG2-CE2 4.23Å; D466-Y513 PolarHBondContact OD2-OH 3.01Å; Y513-M525 HydrophobicContact CD1-CE 3.27Å; Y513-M525 HydrophobicContact CE1-CE 3.65Å; Y513-M525 HydrophobicContact CG-CE 3.83Å; Y513-M526 WeakPolarHBondContact O-CG 3.46Å; Y513-M526 PolarHBondContact O-N 3.25Å; Y513-A539 HydrophobicContact CE1-CB 4.24Å; Y513-L541 HydrophobicContact CD1-CD1 3.86Å; Y513-M704 HydrophobicContact CD2-CE 3.93Å; Y513-M704 HydrophobicContact CE2-CE 3.97Å; Y513-F760 WeakPolarHBondContact OH-CE1 3.18Å; Y513-F760 WeakPolarHBondContact OH-CZ 3.42Å
514	G	88.5	Confident	88.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.321	C	S	.	.			trans	103.7	133.7	-178.5	0	0	0	0	0	113.8	T512 D523 R547	T512-G514 PolarHBondContact O-N 3.15Å; G514-D523 WeakPolarHBondContact CA-O 3.35Å; G514-D523 WeakPolarHBondContact CA-OD1 3.31Å; G514-R547 PolarHBondContact O-NH2 3.3Å; G514-R547 VanDerWaalsContact O-NH2 3.11Å
515	S	87.4	Confident	88.4	Confident	23 Å²	23	56.7 Å²	56.7	16%	0.161	30%	0.296	C	S	.	.			trans	-132.4	159.4	-178.1	66.7	0	0	0	0	109.6	D523	S515-D523 WeakPolarHBondContact CA-OD1 3.45Å; S515-D523 PolarHBondContact N-OD1 2.87Å; S515-D523 PolarHBondContact O-N 3.47Å; S515-D523 VanDerWaalsContact O-N 3.17Å; S515-D523 PolarHBondContact OG-OD1 3.33Å
516	L	86.4	Confident	88.3	Confident	32 Å²	32	56.4 Å²	56.4	17%	0.168	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-95.4	116.7	179.5	-169.7	75.1	0	0	0	108.5	G520 W522	L516-G520 WeakPolarHBondContact CD1-O 3.42Å; L516-W522 HydrophobicContact CB-CD2 4.42Å; L516-W522 HydrophobicContact CB-CE3 4.27Å; L516-W522 HydrophobicContact CB-CH2 4.2Å; L516-W522 HydrophobicContact CB-CZ2 4.33Å; L516-W522 HydrophobicContact CB-CZ3 4.17Å; L516-W522 HydrophobicContact CD1-CD2 3.85Å; L516-W522 HydrophobicContact CD1-CG 4.01Å; L516-W522 HydrophobicContact CD1-CZ2 4.12Å
517	D	84.3	Confident	88.2	Confident	82 Å²	82	54.5 Å²	54.5	44%	0.439	29%	0.287	S	S	.	.			trans	-68.9	165.2	175.2	-77.2	-17.2	0	0	0	111.4	K519 G520 E521	D517-K519 PolarHBondContact O-N 3.37Å; D517-K519 VanDerWaalsContact O-N 3.15Å; D517-G520 PolarHBondContact O-N 3.5Å; D517-E521 PolarHBondContact N-O 2.93Å
518	E	81.8	Confident	88.2	Confident	197 Å²	197	54 Å²	54	92%	0.921	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	177.3	-62.2	-176.1	172.9	0	0	112.8	G520	E518-G520 VanDerWaalsContact C-N 3.26Å; E518-G520 PolarHBondContact O-N 3.31Å
519	K	84	Confident	88.5	Confident	186 Å²	186	53.8 Å²	53.8	81%	0.809	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-9.7	174.8	-62.2	180	-177.6	175.5	0	113.7	D517	D517-K519 PolarHBondContact O-N 3.37Å; D517-K519 VanDerWaalsContact O-N 3.15Å
520	G	84.7	Confident	89	Confident	37 Å²	37	47.7 Å²	47.7	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	82.6	12.7	-175.5	0	0	0	0	0	114.8	L516 D517 E518	L516-G520 WeakPolarHBondContact CD1-O 3.42Å; D517-G520 PolarHBondContact O-N 3.5Å; E518-G520 VanDerWaalsContact C-N 3.26Å; E518-G520 PolarHBondContact O-N 3.31Å
521	E	89.6	Confident	89.5	Confident	130 Å²	130	47.5 Å²	47.5	61%	0.607	25%	0.254	S	S	*	.			trans	-91.7	143.5	173.6	-66.2	-177.8	159.4	0	0	110.5	D517	D517-E521 PolarHBondContact N-O 2.93Å
522	W	90.9	Very high	89.9	Confident	22 Å²	22	48.1 Å²	48.1	8%	0.083	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-92.2	134.1	176.1	-73.8	98.9	0	0	0	110.3	L516 M526 G527 V530 R546 R547 Y550	L516-W522 HydrophobicContact CB-CD2 4.42Å; L516-W522 HydrophobicContact CB-CE3 4.27Å; L516-W522 HydrophobicContact CB-CH2 4.2Å; L516-W522 HydrophobicContact CB-CZ2 4.33Å; L516-W522 HydrophobicContact CB-CZ3 4.17Å; L516-W522 HydrophobicContact CD1-CD2 3.85Å; L516-W522 HydrophobicContact CD1-CG 4.01Å; L516-W522 HydrophobicContact CD1-CZ2 4.12Å; W522-M526 HydrophobicContact CB-CB 4.23Å; W522-M526 HydrophobicContact CD2-CB 4.12Å; W522-M526 HydrophobicContact CD2-CE 4.22Å; W522-M526 HydrophobicContact CE3-CB 3.71Å; W522-M526 HydrophobicContact CE3-CE 4.28Å; W522-M526 HydrophobicContact CE3-CG 4.06Å; W522-M526 HydrophobicContact CG-CB 4.37Å; W522-M526 HydrophobicContact CH2-CE 4.39Å; W522-M526 HydrophobicContact CZ2-CE 4.32Å; W522-M526 HydrophobicContact CZ3-CB 4.4Å; W522-M526 HydrophobicContact CZ3-CE 4.37Å; W522-M526 HydrophobicContact CZ3-CG 4.26Å; W522-G527 WeakPolarHBondContact O-CA 3.37Å; W522-V530 HydrophobicContact CG-CG2 4.48Å; W522-R546 HydrophobicContact CH2-CG 4.3Å; W522-R546 HydrophobicContact CZ2-CG 4.38Å; W522-R547 HydrophobicContact CH2-CG 3.79Å; W522-R547 HydrophobicContact CZ3-CG 4.21Å; W522-Y550 AromaticContact CE2-CD2 3.78Å; W522-Y550 AromaticContact CZ2-CD2 3.78Å; W522-Y550 HydrophobicContact CZ2-CD2 3.78Å; W522-Y550 HydrophobicContact CZ2-CE2 4.02Å; W522-Y550 AromaticContact NE1-CD1 3.64Å; W522-Y550 AromaticContact NE1-CD2 3.22Å; W522-Y550 AromaticContact NE1-CE1 3.85Å; W522-Y550 AromaticContact NE1-CE2 3.46Å; W522-Y550 AromaticContact NE1-CG 3.32Å; W522-Y550 VanDerWaalsContact NE1-CG 3.32Å; W522-Y550 AromaticContact NE1-CZ 3.77Å
523	D	90.7	Very high	90.1	Very high	35 Å²	35	53.1 Å²	53.1	19%	0.187	28%	0.275	C	S	.	.			trans	-100.9	-178.7	170.2	83.1	-39.5	0	0	0	111.9	T512 G514 S515 G527	T512-D523 PolarHBondContact OG1-OD2 3.26Å; G514-D523 WeakPolarHBondContact CA-O 3.35Å; G514-D523 WeakPolarHBondContact CA-OD1 3.31Å; S515-D523 WeakPolarHBondContact CA-OD1 3.45Å; S515-D523 PolarHBondContact N-OD1 2.87Å; S515-D523 PolarHBondContact O-N 3.47Å; S515-D523 VanDerWaalsContact O-N 3.17Å; S515-D523 PolarHBondContact OG-OD1 3.33Å; D523-G527 PolarHBondContact O-N 3.38Å
524	G	91.2	Very high	90.3	Very high	9 Å²	9	53 Å²	53	9%	0.093	28%	0.276	C	S	.	.	H	α-helix	trans	59.1	-152.3	176.5	0	0	0	0	0	114.7	T512 M526 G527 E528	T512-G524 VanDerWaalsContact O-CA 3.3Å; T512-G524 WeakPolarHBondContact O-CA 3.19Å; T512-G524 WeakPolarHBondContact OG1-CA 3.39Å; G524-M526 VanDerWaalsContact C-N 3.28Å; G524-M526 PolarHBondContact O-N 3.4Å; G524-G527 PolarHBondContact O-N 3.22Å; G524-G527 VanDerWaalsContact O-N 3.1Å; G524-E528 PolarHBondContact O-N 3.41Å
525	M	93.8	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-39.9	179	-61.3	-166.3	-82.7	0	0	112.5	S462 I464 P508 T512 Y513 G527 E528 L529 I537 A539	S462-M525 WeakPolarHBondContact OG-CG 3.47Å; I464-M525 HydrophobicContact CB-CE 4.27Å; I464-M525 HydrophobicContact CB-SD 4.43Å; I464-M525 HydrophobicContact CG2-CE 3.77Å; I464-M525 HydrophobicContact CG2-SD 4.43Å; P508-M525 HydrophobicContact CB-CG 4.12Å; P508-M525 HydrophobicContact CG-CG 3.61Å; T512-M525 PolarHBondContact O-N 2.71Å; Y513-M525 HydrophobicContact CD1-CE 3.27Å; Y513-M525 HydrophobicContact CE1-CE 3.65Å; Y513-M525 HydrophobicContact CG-CE 3.83Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.94Å; M525-E528 PolarHBondContact O-N 3.21Å; M525-L529 PolarHBondContact O-N 2.93Å; M525-I537 HydrophobicContact CB-CD1 3.89Å; M525-I537 HydrophobicContact CB-CG1 4.14Å; M525-I537 HydrophobicContact CB-CG2 4.36Å; M525-I537 HydrophobicContact CE-CG2 4.4Å; M525-I537 WeakPolarHBondContact O-CD1 3.19Å; M525-I537 HydrophobicContact SD-CG2 3.93Å; M525-A539 HydrophobicContact CE-CB 3.81Å; M525-A539 HydrophobicContact SD-CB 4.18Å
526	M	94.2	Very high	91.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-46.4	174.8	-75.2	-65.8	-54.9	0	0	111.6	Y513 W522 G524 E528 L529 V530 I537 L541 R547 V551	Y513-M526 WeakPolarHBondContact O-CG 3.46Å; Y513-M526 PolarHBondContact O-N 3.25Å; W522-M526 HydrophobicContact CB-CB 4.23Å; W522-M526 HydrophobicContact CD2-CB 4.12Å; W522-M526 HydrophobicContact CD2-CE 4.22Å; W522-M526 HydrophobicContact CE3-CB 3.71Å; W522-M526 HydrophobicContact CE3-CE 4.28Å; W522-M526 HydrophobicContact CE3-CG 4.06Å; W522-M526 HydrophobicContact CG-CB 4.37Å; W522-M526 HydrophobicContact CH2-CE 4.39Å; W522-M526 HydrophobicContact CZ2-CE 4.32Å; W522-M526 HydrophobicContact CZ3-CB 4.4Å; W522-M526 HydrophobicContact CZ3-CE 4.37Å; W522-M526 HydrophobicContact CZ3-CG 4.26Å; G524-M526 VanDerWaalsContact C-N 3.28Å; G524-M526 PolarHBondContact O-N 3.4Å; M526-E528 PolarHBondContact O-N 2.98Å; M526-L529 PolarHBondContact O-N 3.38Å; M526-V530 HydrophobicContact CE-CG2 4.49Å; M526-V530 WeakPolarHBondContact O-CB 3.22Å; M526-V530 VanDerWaalsContact O-CG2 3.24Å; M526-V530 WeakPolarHBondContact O-CG2 3.45Å; M526-V530 PolarHBondContact O-N 3.12Å; M526-I537 HydrophobicContact SD-CD1 4.32Å; M526-L541 HydrophobicContact SD-CD2 4.01Å; M526-R547 HydrophobicContact CE-CB 3.92Å; M526-R547 HydrophobicContact CE-CG 3.78Å; M526-R547 HydrophobicContact SD-CB 4.31Å; M526-R547 HydrophobicContact SD-CG 3.91Å; M526-V551 HydrophobicContact CE-CB 4.41Å; M526-V551 HydrophobicContact CE-CG1 3.58Å; M526-V551 HydrophobicContact CE-CG2 3.9Å; M526-V551 HydrophobicContact SD-CG1 4.27Å; M526-V551 HydrophobicContact SD-CG2 4.24Å
527	G	93.5	Very high	91.6	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-41.7	176.6	0	0	0	0	0	112.9	W522 D523 G524 M525 L529 N531	W522-G527 WeakPolarHBondContact O-CA 3.37Å; D523-G527 PolarHBondContact O-N 3.38Å; G524-G527 PolarHBondContact O-N 3.22Å; G524-G527 VanDerWaalsContact O-N 3.1Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.94Å; G527-L529 PolarHBondContact O-N 2.89Å; G527-N531 WeakPolarHBondContact O-CB 3.37Å; G527-N531 PolarHBondContact O-N 3Å; G527-N531 PolarHBondContact O-ND2 3.26Å
528	E	94	Very high	92.1	Very high	23 Å²	23	47.9 Å²	47.9	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-39.6	177.2	-68.3	-176.3	160.3	0	0	112.7	S462 P508 G524 M525 M526 G532 R533 V534	S462-E528 PolarHBondContact OG-OE2 2.6Å; P508-E528 VanDerWaalsContact CA-OE1 3.31Å; P508-E528 WeakPolarHBondContact CA-OE1 3.39Å; G524-E528 PolarHBondContact O-N 3.41Å; M525-E528 PolarHBondContact O-N 3.21Å; M526-E528 PolarHBondContact O-N 2.98Å; E528-G532 PolarHBondContact O-N 3.23Å; E528-R533 HydrophobicContact CB-CB 4.23Å; E528-R533 WeakPolarHBondContact O-CB 3.34Å; E528-R533 PolarHBondContact O-N 2.76Å; E528-V534 HydrophobicContact CB-CG1 4.44Å; E528-V534 HydrophobicContact CB-CG2 3.98Å; E528-V534 PolarHBondContact O-N 3.42Å
529	L	95.3	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-46.3	179	-177.7	63.6	0	0	0	111.9	M525 M526 G527 N531 G532 V534 I537 V551 A788	M525-L529 PolarHBondContact O-N 2.93Å; M526-L529 PolarHBondContact O-N 3.38Å; G527-L529 PolarHBondContact O-N 2.89Å; L529-N531 VanDerWaalsContact C-N 3.3Å; L529-N531 PolarHBondContact O-N 3.15Å; L529-G532 PolarHBondContact O-N 2.94Å; L529-G532 VanDerWaalsContact O-N 3.07Å; L529-V534 HydrophobicContact CB-CG2 4.03Å; L529-V534 HydrophobicContact CD1-CG2 4.18Å; L529-I537 HydrophobicContact CB-CD1 3.76Å; L529-I537 HydrophobicContact CB-CG1 3.98Å; L529-I537 HydrophobicContact CD2-CD1 3.54Å; L529-I537 HydrophobicContact CD2-CG1 3.78Å; L529-I537 HydrophobicContact CG-CD1 4.27Å; L529-I537 HydrophobicContact CG-CG1 4.37Å; L529-V551 HydrophobicContact CD2-CB 4.15Å; L529-V551 HydrophobicContact CD2-CG1 3.65Å; L529-V551 HydrophobicContact CG-CG1 4.27Å; L529-A788 HydrophobicContact CD2-CB 3.86Å
530	V	94	Very high	93	Very high	36 Å²	36	29.8 Å²	29.8	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-38.3	179	172.6	0	0	0	0	110.9	W522 M526 G532 V551	W522-V530 HydrophobicContact CG-CG2 4.48Å; M526-V530 HydrophobicContact CE-CG2 4.49Å; M526-V530 WeakPolarHBondContact O-CB 3.22Å; M526-V530 VanDerWaalsContact O-CG2 3.24Å; M526-V530 WeakPolarHBondContact O-CG2 3.45Å; M526-V530 PolarHBondContact O-N 3.12Å; V530-G532 PolarHBondContact O-N 3.34Å; V530-V551 HydrophobicContact CG2-CG1 4.03Å
531	N	93.1	Very high	93.4	Very high	109 Å²	109	28 Å²	28	58%	0.583	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.7	176.1	-65.5	-41.8	0	0	0	113.8	G527 L529 R533	G527-N531 WeakPolarHBondContact O-CB 3.37Å; G527-N531 PolarHBondContact O-N 3Å; G527-N531 PolarHBondContact O-ND2 3.26Å; L529-N531 VanDerWaalsContact C-N 3.3Å; L529-N531 PolarHBondContact O-N 3.15Å; N531-R533 VanDerWaalsContact C-N 3.27Å; N531-R533 HydrophobicContact CB-CG 4.43Å; N531-R533 PolarHBondContact O-N 3.01Å
532	G	92.2	Very high	93.6	Very high	40 Å²	40	22.1 Å²	22.1	41%	0.412	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.1	177.7	0	0	0	0	0	115.4	R460 E528 L529 V530 V534	R460-G532 PolarHBondContact NH2-O 2.85Å; E528-G532 PolarHBondContact O-N 3.23Å; L529-G532 PolarHBondContact O-N 2.94Å; L529-G532 VanDerWaalsContact O-N 3.07Å; V530-G532 PolarHBondContact O-N 3.34Å; G532-V534 VanDerWaalsContact C-N 3.32Å
533	R	93.2	Very high	93.7	Very high	138 Å²	138	23.3 Å²	23.3	52%	0.521	13%	0.128	S	C	.	.	S	Bend	trans	-71.6	-31.2	174.8	-64	-174.7	-179.8	-177.1	1.5	111.7	R460 E528 N531	R460-R533 PolarHBondContact NE-O 2.89Å; R460-R533 PolarHBondContact NH1-O 3.43Å; R460-R533 PolarHBondContact NH2-O 2.85Å; E528-R533 HydrophobicContact CB-CB 4.23Å; E528-R533 WeakPolarHBondContact O-CB 3.34Å; E528-R533 PolarHBondContact O-N 2.76Å; N531-R533 VanDerWaalsContact C-N 3.27Å; N531-R533 HydrophobicContact CB-CG 4.43Å; N531-R533 PolarHBondContact O-N 3.01Å
534	V	94.6	Very high	93.6	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.055	13%	0.129	C	C	.	.			trans	-123.1	157.4	171.9	-62.5	0	0	0	0	110.6	E528 L529 G532	E528-V534 HydrophobicContact CB-CG1 4.44Å; E528-V534 HydrophobicContact CB-CG2 3.98Å; E528-V534 PolarHBondContact O-N 3.42Å; L529-V534 HydrophobicContact CB-CG2 4.03Å; L529-V534 HydrophobicContact CD1-CG2 4.18Å; G532-V534 VanDerWaalsContact C-N 3.32Å
535	D	95.8	Very high	93.4	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.16	16%	0.158	C	C	.	.	S	Bend	trans	-89.4	-29.2	-179.4	-57.3	-64.6	0	0	0	111.9	L459 R460 Y795	L459-D535 HydrophobicContact CB-CB 4.43Å; L459-D535 HydrophobicContact CD2-CB 4.36Å; R460-D535 PolarHBondContact N-OD2 3.16Å; R460-D535 IonicContact NE-OD2 2.89Å; R460-D535 IonicContact NH2-OD1 2.57Å; R460-D535 PolarHBondContact O-N 3.49Å; D535-Y795 PolarHBondContact O-OH 2.83Å
536	M	96.5	Very high	93.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.7	-177.3	-178.2	-178.3	-66.6	0	0	111.3	R460 I461 S462 L492 I554 F787 A788 V789 M799	R460-M536 PolarHBondContact O-N 3.02Å; I461-M536 CarbonylContact C-O 3.24Å; I461-M536 VanDerWaalsContact CA-O 3.27Å; I461-M536 WeakPolarHBondContact CA-O 3.26Å; I461-M536 HydrophobicContact CD1-CB 4.49Å; I461-M536 HydrophobicContact CD1-SD 4.28Å; I461-M536 HydrophobicContact CG1-CB 4.2Å; S462-M536 PolarHBondContact N-O 3.03Å; L492-M536 HydrophobicContact CD1-SD 4.22Å; M536-I554 HydrophobicContact CE-CD1 3.69Å; M536-I554 HydrophobicContact SD-CD1 4.5Å; M536-F787 HydrophobicContact SD-CD2 4.43Å; M536-A788 CarbonylContact C-O 3.58Å; M536-A788 WeakPolarHBondContact CA-O 3.31Å; M536-A788 WeakPolarHBondContact CG-O 3.42Å; M536-V789 HydrophobicContact CB-CG1 4.11Å; M536-V789 HydrophobicContact CE-CG1 3.85Å; M536-V789 HydrophobicContact CG-CG1 3.9Å; M536-M799 HydrophobicContact CE-CE 3.71Å; M536-M799 HydrophobicContact CE-SD 3.56Å; M536-M799 VanDerWaalsContact CE-SD 3.56Å
537	I	96.5	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.9	164.5	-62.2	169.2	0	0	0	108.2	S462 M525 M526 L529 A539 L541 F787 A788	S462-I537 WeakPolarHBondContact O-CA 3.11Å; M525-I537 HydrophobicContact CB-CD1 3.89Å; M525-I537 HydrophobicContact CB-CG1 4.14Å; M525-I537 HydrophobicContact CB-CG2 4.36Å; M525-I537 HydrophobicContact CE-CG2 4.4Å; M525-I537 WeakPolarHBondContact O-CD1 3.19Å; M525-I537 HydrophobicContact SD-CG2 3.93Å; M526-I537 HydrophobicContact SD-CD1 4.32Å; L529-I537 HydrophobicContact CB-CD1 3.76Å; L529-I537 HydrophobicContact CB-CG1 3.98Å; L529-I537 HydrophobicContact CD2-CD1 3.54Å; L529-I537 HydrophobicContact CD2-CG1 3.78Å; L529-I537 HydrophobicContact CG-CD1 4.27Å; L529-I537 HydrophobicContact CG-CG1 4.37Å; I537-A539 HydrophobicContact CG2-CB 4.24Å; I537-L541 HydrophobicContact CD1-CD2 4.12Å; I537-L541 HydrophobicContact CG2-CD2 4.25Å; I537-F787 WeakPolarHBondContact O-CA 3.45Å; I537-F787 VanDerWaalsContact O-CB 3.27Å; I537-F787 WeakPolarHBondContact O-CB 3.41Å; I537-A788 HydrophobicContact CB-CB 4.32Å; I537-A788 HydrophobicContact CD1-CB 4.39Å; I537-A788 PolarHBondContact N-O 3.43Å; I537-A788 PolarHBondContact O-N 2.46Å; I537-A788 VanDerWaalsContact O-N 3.11Å
538	A	95.7	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	80.8	174.9	0	0	0	0	0	110	I461 S462 T463 L492 F787	I461-A538 HydrophobicContact CG2-CB 3.44Å; I461-A538 VanDerWaalsContact CG2-CB 3.44Å; S462-A538 PolarHBondContact O-N 3.04Å; T463-A538 WeakPolarHBondContact CB-O 3.35Å; T463-A538 PolarHBondContact OG1-O 3.5Å; L492-A538 HydrophobicContact CD1-CB 4.37Å; L492-A538 HydrophobicContact CD2-CB 4Å; A538-F787 HydrophobicContact CB-CD1 4.27Å; A538-F787 HydrophobicContact CB-CD2 4.31Å; A538-F787 HydrophobicContact CB-CE1 4.1Å; A538-F787 HydrophobicContact CB-CE2 4.14Å; A538-F787 HydrophobicContact CB-CG 4.39Å; A538-F787 HydrophobicContact CB-CZ 4.04Å
539	A	92.8	Very high	92.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	174.2	178.1	0	0	0	0	0	109.5	I464 Y513 M525 I537 L541	I464-A539 HydrophobicContact CG2-CB 4.42Å; Y513-A539 HydrophobicContact CE1-CB 4.24Å; M525-A539 HydrophobicContact CE-CB 3.81Å; M525-A539 HydrophobicContact SD-CB 4.18Å; I537-A539 HydrophobicContact CG2-CB 4.24Å; A539-L541 PolarHBondContact O-N 2.81Å
540	G	90.5	Very high	92.5	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	63.9	170.2	0	0	0	0	0	112.1
541	L	93.9	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.6	-175.6	-171.9	73.8	0	0	0	110.5	Y513 M526 I537 A539 I543 F553 L785 G786 A788	Y513-L541 HydrophobicContact CD1-CD1 3.86Å; M526-L541 HydrophobicContact SD-CD2 4.01Å; I537-L541 HydrophobicContact CD1-CD2 4.12Å; I537-L541 HydrophobicContact CG2-CD2 4.25Å; A539-L541 PolarHBondContact O-N 2.81Å; L541-I543 PolarHBondContact O-N 3.34Å; L541-F553 HydrophobicContact CD2-CE1 3.75Å; L541-F553 HydrophobicContact CD2-CZ 4.41Å; L541-F553 HydrophobicContact CG-CE1 4.13Å; L541-L785 WeakPolarHBondContact O-CA 3.32Å; L541-G786 WeakPolarHBondContact CB-O 3.47Å; L541-G786 PolarHBondContact O-N 2.91Å; L541-A788 HydrophobicContact CD2-CB 3.65Å
542	T	93.5	Very high	92.5	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.7	178.5	-29.5	0	0	0	0	112.4	N544 R547 S708 E757 V783 L785	T542-N544 PolarHBondContact O-N 2.97Å; T542-R547 PolarHBondContact O-NH1 3.15Å; T542-S708 VanDerWaalsContact CB-CB 3.5Å; T542-S708 WeakPolarHBondContact OG1-CB 3.34Å; T542-S708 PolarHBondContact OG1-OG 2.84Å; T542-E757 PolarHBondContact OG1-OE1 3.44Å; T542-E757 VanDerWaalsContact OG1-OE1 3.09Å; T542-V783 HydrophobicContact CG2-CB 3.78Å; T542-V783 HydrophobicContact CG2-CG1 4.21Å; T542-V783 HydrophobicContact CG2-CG2 4.22Å; T542-L785 HydrophobicContact CG2-CD2 4.18Å
543	I	92.6	Very high	92.6	Very high	48 Å²	48	39.7 Å²	39.7	25%	0.246	19%	0.194	C	C	.	.			trans	-75.9	114	174	-55.5	178.8	0	0	0	108.1	L541 F553 P556 A784	L541-I543 PolarHBondContact O-N 3.34Å; I543-F553 HydrophobicContact CB-CD1 4.43Å; I543-F553 HydrophobicContact CB-CD2 4.5Å; I543-F553 HydrophobicContact CB-CE1 4.45Å; I543-F553 HydrophobicContact CB-CG 4.43Å; I543-F553 HydrophobicContact CD1-CB 4.26Å; I543-F553 HydrophobicContact CD1-CD1 4.49Å; I543-F553 HydrophobicContact CD1-CG 4.43Å; I543-F553 HydrophobicContact CG1-CB 4.25Å; I543-F553 HydrophobicContact CG1-CD1 3.68Å; I543-F553 HydrophobicContact CG1-CD2 4.43Å; I543-F553 HydrophobicContact CG1-CE1 4.02Å; I543-F553 HydrophobicContact CG1-CG 3.88Å; I543-F553 HydrophobicContact CG2-CD2 3.9Å; I543-F553 HydrophobicContact CG2-CE2 4.14Å; I543-F553 HydrophobicContact CG2-CG 4.15Å; I543-P556 HydrophobicContact CD1-CB 4.06Å; I543-A784 HydrophobicContact CB-CB 4.49Å; I543-A784 WeakPolarHBondContact CB-O 3.43Å; I543-A784 HydrophobicContact CD1-CB 4.13Å; I543-A784 WeakPolarHBondContact CG1-O 3.34Å; I543-A784 PolarHBondContact N-O 3.33Å
544	N	89.3	Confident	92.7	Very high	38 Å²	38	33.1 Å²	33.1	20%	0.203	17%	0.17	C	C	.	.			trans	-142.4	155.9	176.1	66.9	49.7	0	0	0	111.4	T542 R546 R547 S548	T542-N544 PolarHBondContact O-N 2.97Å; N544-R546 PolarHBondContact O-N 2.88Å; N544-R546 VanDerWaalsContact O-N 3.16Å; N544-R546 PolarHBondContact OD1-N 2.8Å; N544-R547 PolarHBondContact O-N 3.01Å; N544-R547 WeakPolarHBondContact OD1-CB 3.47Å; N544-R547 WeakPolarHBondContact OD1-CG 3.12Å; N544-R547 PolarHBondContact OD1-N 2.94Å; N544-S548 PolarHBondContact O-N 2.84Å; N544-S548 PolarHBondContact O-OG 3.44Å; N544-S548 VanDerWaalsContact O-OG 3.05Å
545	P	86.8	Confident	92.4	Very high	108 Å²	108	33.3 Å²	33.3	70%	0.701	17%	0.173	S	C	*	.	H	α-helix	trans	-58.1	-33.5	-175.7	-26.8	35.2	0	0	0	114	S548 N549	P545-S548 PolarHBondContact O-N 3.48Å; P545-N549 PolarHBondContact O-N 2.93Å; P545-N549 PolarHBondContact O-OD1 3.03Å
546	R	88.1	Confident	92.2	Very high	107 Å²	107	33.5 Å²	33.5	40%	0.404	18%	0.176	S	C	.	.	H	α-helix	trans	-67.5	-42.6	-178.1	-161.1	179.3	-153.6	164.1	6.6	111.9	W522 N544 Y550	W522-R546 HydrophobicContact CH2-CG 4.3Å; W522-R546 HydrophobicContact CZ2-CG 4.38Å; N544-R546 PolarHBondContact O-N 2.88Å; N544-R546 VanDerWaalsContact O-N 3.16Å; N544-R546 PolarHBondContact OD1-N 2.8Å; R546-Y550 WeakPolarHBondContact O-CD2 3.48Å
547	R	91.9	Very high	92	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-71.1	-41.4	174.2	-70.7	179.4	173.7	161.2	-5.4	110.8	G514 W522 M526 T542 N544 N549 Y550 V551 F553	G514-R547 PolarHBondContact O-NH2 3.3Å; G514-R547 VanDerWaalsContact O-NH2 3.11Å; W522-R547 HydrophobicContact CH2-CG 3.79Å; W522-R547 HydrophobicContact CZ3-CG 4.21Å; M526-R547 HydrophobicContact CE-CB 3.92Å; M526-R547 HydrophobicContact CE-CG 3.78Å; M526-R547 HydrophobicContact SD-CB 4.31Å; M526-R547 HydrophobicContact SD-CG 3.91Å; T542-R547 PolarHBondContact O-NH1 3.15Å; N544-R547 PolarHBondContact O-N 3.01Å; N544-R547 WeakPolarHBondContact OD1-CB 3.47Å; N544-R547 WeakPolarHBondContact OD1-CG 3.12Å; N544-R547 PolarHBondContact OD1-N 2.94Å; R547-N549 PolarHBondContact O-N 3.16Å; R547-Y550 PolarHBondContact O-N 2.81Å; R547-V551 HydrophobicContact CB-CG2 4.26Å; R547-V551 WeakPolarHBondContact O-CG2 3.34Å; R547-V551 PolarHBondContact O-N 2.68Å; R547-F553 HydrophobicContact CB-CE2 3.95Å; R547-F553 HydrophobicContact CB-CZ 3.67Å
548	S	91.2	Very high	91.8	Very high	47 Å²	47	34.2 Å²	34.2	33%	0.329	18%	0.18	S	C	.	.	H	α-helix	trans	-58.1	-20.5	179.2	-63.3	0	0	0	0	114.5	N544 P545 Y550 V551 F553	N544-S548 PolarHBondContact O-N 2.84Å; N544-S548 PolarHBondContact O-OG 3.44Å; N544-S548 VanDerWaalsContact O-OG 3.05Å; P545-S548 PolarHBondContact O-N 3.48Å; S548-Y550 VanDerWaalsContact C-N 3.28Å; S548-Y550 PolarHBondContact O-N 3Å; S548-V551 CarbonylContact C-O 3.5Å; S548-V551 WeakPolarHBondContact CA-O 3.33Å; S548-F553 WeakPolarHBondContact OG-CE2 2.99Å
549	N	89.9	Confident	91.6	Very high	116 Å²	116	40.1 Å²	40.1	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.3	173.8	-71.4	-15.3	0	0	0	113.8	P545 R547	P545-N549 PolarHBondContact O-N 2.93Å; P545-N549 PolarHBondContact O-OD1 3.03Å; R547-N549 PolarHBondContact O-N 3.16Å
550	Y	90.9	Very high	91.6	Very high	94 Å²	94	40.2 Å²	40.2	37%	0.369	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-24.1	-175.4	-62	-92.9	0	0	0	113.3	W522 R546 R547 S548 L791	W522-Y550 AromaticContact CE2-CD2 3.78Å; W522-Y550 AromaticContact CZ2-CD2 3.78Å; W522-Y550 HydrophobicContact CZ2-CD2 3.78Å; W522-Y550 HydrophobicContact CZ2-CE2 4.02Å; W522-Y550 AromaticContact NE1-CD1 3.64Å; W522-Y550 AromaticContact NE1-CD2 3.22Å; W522-Y550 AromaticContact NE1-CE1 3.85Å; W522-Y550 AromaticContact NE1-CE2 3.46Å; W522-Y550 AromaticContact NE1-CG 3.32Å; W522-Y550 VanDerWaalsContact NE1-CG 3.32Å; W522-Y550 AromaticContact NE1-CZ 3.77Å; R546-Y550 WeakPolarHBondContact O-CD2 3.48Å; R547-Y550 PolarHBondContact O-N 2.81Å; S548-Y550 VanDerWaalsContact C-N 3.28Å; S548-Y550 PolarHBondContact O-N 3Å; Y550-L791 WeakPolarHBondContact O-CB 3.18Å
551	V	93.4	Very high	91.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.8	-178.4	-56.1	0	0	0	0	110.7	M526 L529 V530 R547 S548 F553 A788 V789	M526-V551 HydrophobicContact CE-CB 4.41Å; M526-V551 HydrophobicContact CE-CG1 3.58Å; M526-V551 HydrophobicContact CE-CG2 3.9Å; M526-V551 HydrophobicContact SD-CG1 4.27Å; M526-V551 HydrophobicContact SD-CG2 4.24Å; L529-V551 HydrophobicContact CD2-CB 4.15Å; L529-V551 HydrophobicContact CD2-CG1 3.65Å; L529-V551 HydrophobicContact CG-CG1 4.27Å; V530-V551 HydrophobicContact CG2-CG1 4.03Å; R547-V551 HydrophobicContact CB-CG2 4.26Å; R547-V551 WeakPolarHBondContact O-CG2 3.34Å; R547-V551 PolarHBondContact O-N 2.68Å; S548-V551 CarbonylContact C-O 3.5Å; S548-V551 WeakPolarHBondContact CA-O 3.33Å; V551-F553 HydrophobicContact CG2-CD2 4.4Å; V551-F553 HydrophobicContact CG2-CE2 3.92Å; V551-F553 HydrophobicContact CG2-CZ 3.99Å; V551-A788 HydrophobicContact CB-CB 4.29Å; V551-A788 HydrophobicContact CG2-CB 4Å; V551-V789 WeakPolarHBondContact CA-O 3.2Å; V551-V789 WeakPolarHBondContact CB-O 3.36Å
552	E	93.1	Very high	91.4	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.3	172.9	-166.6	168.6	170	0	0	109.1	A788 V789 L791 G792 A796	E552-A788 WeakPolarHBondContact O-CA 3.46Å; E552-V789 HydrophobicContact CB-CG2 4.12Å; E552-V789 PolarHBondContact N-O 3.33Å; E552-V789 WeakPolarHBondContact O-CG2 3.47Å; E552-V789 PolarHBondContact O-N 3.12Å; E552-L791 HydrophobicContact CB-CD1 4.27Å; E552-G792 PolarHBondContact OE2-N 3.37Å; E552-A796 HydrophobicContact CB-CB 4.27Å; E552-A796 VanDerWaalsContact CD-CB 3.4Å; E552-A796 HydrophobicContact CG-CB 3.82Å; E552-A796 WeakPolarHBondContact OE1-CB 3.35Å
553	F	94.8	Very high	91.3	Very high	24 Å²	24	40.5 Å²	40.5	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137.8	-176.3	-72.7	-85.1	0	0	0	111.8	L541 I543 R547 S548 V551 F787 A788	L541-F553 HydrophobicContact CD2-CE1 3.75Å; L541-F553 HydrophobicContact CD2-CZ 4.41Å; L541-F553 HydrophobicContact CG-CE1 4.13Å; I543-F553 HydrophobicContact CB-CD1 4.43Å; I543-F553 HydrophobicContact CB-CD2 4.5Å; I543-F553 HydrophobicContact CB-CE1 4.45Å; I543-F553 HydrophobicContact CB-CG 4.43Å; I543-F553 HydrophobicContact CD1-CB 4.26Å; I543-F553 HydrophobicContact CD1-CD1 4.49Å; I543-F553 HydrophobicContact CD1-CG 4.43Å; I543-F553 HydrophobicContact CG1-CB 4.25Å; I543-F553 HydrophobicContact CG1-CD1 3.68Å; I543-F553 HydrophobicContact CG1-CD2 4.43Å; I543-F553 HydrophobicContact CG1-CE1 4.02Å; I543-F553 HydrophobicContact CG1-CG 3.88Å; I543-F553 HydrophobicContact CG2-CD2 3.9Å; I543-F553 HydrophobicContact CG2-CE2 4.14Å; I543-F553 HydrophobicContact CG2-CG 4.15Å; R547-F553 HydrophobicContact CB-CE2 3.95Å; R547-F553 HydrophobicContact CB-CZ 3.67Å; S548-F553 WeakPolarHBondContact OG-CE2 2.99Å; V551-F553 HydrophobicContact CG2-CD2 4.4Å; V551-F553 HydrophobicContact CG2-CE2 3.92Å; V551-F553 HydrophobicContact CG2-CZ 3.99Å; F553-F787 CarbonylContact C-O 3.56Å; F553-F787 VanDerWaalsContact CA-O 3.29Å; F553-F787 WeakPolarHBondContact CA-O 3.33Å; F553-F787 WeakPolarHBondContact CD1-O 3.21Å; F553-A788 HydrophobicContact CD1-CB 4.04Å; F553-A788 HydrophobicContact CE1-CB 4.13Å
554	I	94.6	Very high	91.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.2	169.1	-64.1	168.4	0	0	0	107	M536 F787 V789 M799 M803	M536-I554 HydrophobicContact CE-CD1 3.69Å; M536-I554 HydrophobicContact SD-CD1 4.5Å; I554-F787 HydrophobicContact CB-CB 4.11Å; I554-F787 PolarHBondContact N-O 3.47Å; I554-F787 PolarHBondContact O-N 3.04Å; I554-V789 HydrophobicContact CD1-CG1 3.5Å; I554-V789 VanDerWaalsContact CD1-CG1 3.5Å; I554-V789 HydrophobicContact CD1-CG2 4.46Å; I554-V789 HydrophobicContact CG1-CG1 4.33Å; I554-M799 HydrophobicContact CD1-CB 3.75Å; I554-M799 HydrophobicContact CD1-CG 4.35Å; I554-M799 HydrophobicContact CD1-SD 3.68Å; I554-M799 HydrophobicContact CG1-CB 4.02Å; I554-M799 HydrophobicContact CG2-CB 3.84Å; I554-M803 HydrophobicContact CG2-CB 4.43Å; I554-M803 HydrophobicContact CG2-CE 3.98Å
555	G	88.4	Confident	91.3	Very high	13 Å²	13	36.4 Å²	36.4	13%	0.134	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-168.5	-172.5	0	0	0	0	0	112.6	S800	G555-S800 PolarHBondContact N-OG 3.03Å; G555-S800 PolarHBondContact O-OG 3.35Å
556	P	92.5	Very high	91.4	Very high	34 Å²	34	31.3 Å²	31.3	22%	0.221	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.8	145	23.7	31.3	-38.1	0	0	0	114.9	I543 A784	I543-P556 HydrophobicContact CD1-CB 4.06Å; P556-A784 HydrophobicContact CB-CB 3.82Å
557	I	92.4	Very high	91.3	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.036	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-52.6	175.2	-55	173.1	0	0	0	109.3	F487 V491 L785 F787 M803 I812	F487-I557 HydrophobicContact CE1-CG2 3.71Å; F487-I557 HydrophobicContact CZ-CG2 3.82Å; V491-I557 HydrophobicContact CG1-CD1 4.4Å; V491-I557 HydrophobicContact CG2-CG2 4.37Å; I557-L785 PolarHBondContact N-O 3.32Å; I557-F787 HydrophobicContact CD1-CD1 3.45Å; I557-F787 VanDerWaalsContact CD1-CD1 3.45Å; I557-F787 HydrophobicContact CD1-CD2 4.24Å; I557-F787 HydrophobicContact CD1-CE1 3.45Å; I557-F787 VanDerWaalsContact CD1-CE1 3.45Å; I557-F787 HydrophobicContact CD1-CE2 4.24Å; I557-F787 HydrophobicContact CD1-CG 3.86Å; I557-F787 HydrophobicContact CD1-CZ 3.86Å; I557-M803 HydrophobicContact CB-SD 4.45Å; I557-M803 HydrophobicContact CD1-CE 3.95Å; I557-M803 HydrophobicContact CD1-SD 4.43Å; I557-M803 HydrophobicContact CG1-CE 3.78Å; I557-M803 HydrophobicContact CG1-CG 4.01Å; I557-M803 HydrophobicContact CG1-SD 3.75Å; I557-M803 HydrophobicContact CG2-SD 4.29Å; I557-I812 HydrophobicContact CG2-CD1 4.2Å; I557-I812 HydrophobicContact CG2-CG2 4.24Å
558	V	92	Very high	90.7	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.6	178.1	-65	0	0	0	0	109.9	F469 F487 L759 L785 I812 M816	F469-V558 HydrophobicContact CZ-CG2 4.46Å; F487-V558 HydrophobicContact CE1-CG1 4.12Å; F487-V558 HydrophobicContact CZ-CG1 3.7Å; V558-L759 HydrophobicContact CB-CD1 4.48Å; V558-L759 HydrophobicContact CG2-CD1 3.78Å; V558-L785 HydrophobicContact CG2-CB 3.92Å; V558-L785 HydrophobicContact CG2-CD1 3.99Å; V558-L785 HydrophobicContact CG2-CG 4.31Å; V558-L785 PolarHBondContact O-N 3.19Å; V558-I812 HydrophobicContact CG1-CG2 4.15Å; V558-M816 HydrophobicContact CG1-CG 4.14Å; V558-M816 HydrophobicContact CG1-SD 3.56Å; V558-M816 VanDerWaalsContact CG1-SD 3.56Å
559	E	91.4	Very high	89.6	Confident	125 Å²	125	29.3 Å²	29.3	58%	0.584	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.9	168	-68.5	171.4	-168	0	0	107.3	V782	E559-V782 HydrophobicContact CB-CG1 4.43Å
560	D	91.4	Very high	88.2	Confident	3 Å²	3	29 Å²	29	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	166.8	-178.1	-161.1	17.9	0	0	0	110.6	E757 R758 L759 V783 L785	D560-E757 WeakPolarHBondContact OD2-CB 3.26Å; D560-R758 WeakPolarHBondContact OD1-CB 3Å; D560-R758 IonicContact OD1-NE 3.97Å; D560-R758 PolarHBondContact OD1-NE 3.31Å; D560-R758 IonicContact OD1-NH2 2.79Å; D560-R758 PolarHBondContact OD2-N 3.27Å; D560-L759 HydrophobicContact CB-CD1 3.94Å; D560-L759 HydrophobicContact CB-CG 4.27Å; D560-L759 VanDerWaalsContact CG-CG 3.44Å; D560-L759 WeakPolarHBondContact OD2-CB 3.36Å; D560-L759 VanDerWaalsContact OD2-CG 3.28Å; D560-L759 WeakPolarHBondContact OD2-CG 3.44Å; D560-L759 PolarHBondContact OD2-N 2.98Å; D560-V783 HydrophobicContact CB-CG2 4.4Å; D560-V783 PolarHBondContact N-O 3.12Å; D560-V783 WeakPolarHBondContact O-CG2 3.43Å; D560-V783 PolarHBondContact O-N 2.97Å; D560-L785 HydrophobicContact CB-CD1 4.29Å
561	T	90.8	Very high	86.6	Confident	12 Å²	12	26.1 Å²	26.1	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	167	178.7	52.5	0	0	0	0	110.5	R758 E777 I781 V782	T561-R758 WeakPolarHBondContact O-CB 3.31Å; T561-R758 PolarHBondContact O-N 3.48Å; T561-R758 WeakPolarHBondContact OG1-CD 3.34Å; T561-E777 WeakPolarHBondContact CG2-OE1 3.17Å; T561-E777 WeakPolarHBondContact OG1-CG 3.14Å; T561-E777 PolarHBondContact OG1-OE1 2.97Å; T561-I781 VanDerWaalsContact CA-O 3.29Å; T561-I781 WeakPolarHBondContact CA-O 3.26Å; T561-V782 HydrophobicContact CG2-CG2 4.33Å
562	V	90.4	Very high	84.6	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.4	171	177	0	0	0	0	108.5	I755 E778 I781	V562-I755 HydrophobicContact CG1-CG2 3.43Å; V562-I755 VanDerWaalsContact CG1-CG2 3.43Å; V562-E778 PolarHBondContact O-N 2.96Å; V562-I781 HydrophobicContact CB-CD1 4.36Å; V562-I781 HydrophobicContact CG2-CB 4.09Å; V562-I781 HydrophobicContact CG2-CD1 4.21Å; V562-I781 HydrophobicContact CG2-CG2 3.67Å
563	G	90.7	Very high	82.8	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.3	174.2	0	0	0	0	0	111.7	T756 L761 I776	G563-T756 PolarHBondContact N-O 2.8Å; G563-T756 PolarHBondContact O-N 3.07Å; G563-T756 VanDerWaalsContact O-N 3.17Å; G563-L761 WeakPolarHBondContact O-CD1 3.09Å; G563-I776 CarbonylContact C-O 3.59Å; G563-I776 WeakPolarHBondContact CA-O 3.3Å
564	I	91.5	Very high	81.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112.3	179.5	-52.5	177.6	0	0	0	108	V566 I687 L690 V753 I755 V775 I776	I564-V566 HydrophobicContact CG2-CG1 3.82Å; I564-I687 HydrophobicContact CG2-CD1 3.93Å; I564-L690 HydrophobicContact CD1-CB 4.12Å; I564-L690 HydrophobicContact CD1-CD1 3.86Å; I564-V753 HydrophobicContact CG2-CG1 3.08Å; I564-I755 HydrophobicContact CG1-CG1 4.4Å; I564-I755 HydrophobicContact CG1-CG2 4.48Å; I564-I755 HydrophobicContact CG2-CG1 4.36Å; I564-V775 WeakPolarHBondContact O-CA 3.19Å; I564-I776 HydrophobicContact CB-CB 4.23Å; I564-I776 PolarHBondContact N-O 3.15Å; I564-I776 PolarHBondContact O-N 3.07Å
565	L	91.3	Very high	79.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.7	175.4	-171.3	70.1	0	0	0	109.5	V743 V746 Y754 L761 V764 L765 L773 V775	L565-V743 HydrophobicContact CD2-CG2 3.86Å; L565-V746 HydrophobicContact CD2-CG1 4.5Å; L565-V746 HydrophobicContact CG-CG1 4.35Å; L565-Y754 HydrophobicContact CB-CD1 4.5Å; L565-Y754 HydrophobicContact CD2-CD1 4.42Å; L565-Y754 PolarHBondContact N-O 2.91Å; L565-Y754 PolarHBondContact O-N 2.96Å; L565-Y754 VanDerWaalsContact O-N 3.13Å; L565-L761 HydrophobicContact CB-CD1 4.04Å; L565-L761 HydrophobicContact CB-CD2 3.78Å; L565-L761 HydrophobicContact CB-CG 4.48Å; L565-L761 HydrophobicContact CD2-CD2 4.24Å; L565-L761 HydrophobicContact CG-CD2 4.43Å; L565-V764 HydrophobicContact CD2-CG1 4.5Å; L565-L765 HydrophobicContact CD1-CD2 4.11Å; L565-L773 HydrophobicContact CD1-CB 3.93Å; L565-L773 HydrophobicContact CD1-CD1 4.04Å; L565-L773 HydrophobicContact CD2-CD1 3.97Å; L565-L773 HydrophobicContact CG-CD1 4.16Å; L565-V775 HydrophobicContact CD1-CG2 3.66Å
566	V	89	Confident	78.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.4	-179.9	-55.4	0	0	0	0	110.5	I564 L685 P686 I687 V753 L773 E774 I776	I564-V566 HydrophobicContact CG2-CG1 3.82Å; V566-L685 HydrophobicContact CG2-CD2 3.55Å; V566-P686 HydrophobicContact CB-CG 4.4Å; V566-I687 HydrophobicContact CG1-CD1 3.93Å; V566-I687 HydrophobicContact CG1-CG1 4.05Å; V566-V753 HydrophobicContact CG1-CG1 4.07Å; V566-V753 HydrophobicContact CG1-CG2 3.84Å; V566-L773 WeakPolarHBondContact O-CA 3.29Å; V566-E774 HydrophobicContact CG2-CB 4.31Å; V566-E774 PolarHBondContact N-O 3.38Å; V566-E774 PolarHBondContact O-N 2.8Å; V566-I776 HydrophobicContact CG1-CD1 3.88Å; V566-I776 HydrophobicContact CG2-CD1 3.81Å; V566-I776 HydrophobicContact CG2-CG1 4.2Å
567	K	86.7	Confident	77.7	Confident	55 Å²	55	48.4 Å²	48.4	24%	0.239	26%	0.255	C	S	.	.			trans	-97.2	115.8	166.5	-175.9	168.7	167.4	-157.6	0	108.2	V747 D750 L773	K567-V747 PolarHBondContact NZ-O 2.71Å; K567-D750 WeakPolarHBondContact CD-OD1 3.45Å; K567-D750 WeakPolarHBondContact CE-OD1 3.37Å; K567-D750 IonicContact NZ-OD1 3.09Å; K567-D750 PolarHBondContact NZ-OD1 3.26Å; K567-L773 HydrophobicContact CB-CD2 3.87Å; K567-L773 HydrophobicContact CG-CD2 4.25Å
568	P	78.3	Confident	76.7	Confident	17 Å²	17	49.7 Å²	49.7	11%	0.11	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-59.9	142.3	175.6	-22.1	34.4	0	0	0	110.9	L683 L685 N772 E774	P568-L683 HydrophobicContact CB-CB 4.03Å; P568-L683 HydrophobicContact CB-CD1 4.49Å; P568-L683 HydrophobicContact CB-CD2 4.28Å; P568-L683 HydrophobicContact CB-CG 4.5Å; P568-L685 HydrophobicContact CG-CD2 4.31Å; P568-N772 WeakPolarHBondContact CD-O 3.47Å; P568-E774 HydrophobicContact CG-CB 3.67Å; P568-E774 WeakPolarHBondContact CG-OE2 3.3Å
569	S	69	Low	75.8	Confident	44 Å²	44	53.2 Å²	53.2	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135	172.2	63.1	0	0	0	0	109.8	A571 K684	S569-A571 PolarHBondContact O-N 2.83Å; S569-K684 PolarHBondContact N-O 3.24Å; S569-K684 PolarHBondContact O-N 3.41Å; S569-K684 PolarHBondContact OG-O 3.06Å
570	T	59.9	Low	75	Confident	108 Å²	108	55.2 Å²	55.2	66%	0.663	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	122.8	166.7	46.1	0	0	0	0	107.7	N572	T570-N572 PolarHBondContact O-N 3.35Å
571	A	56.7	Low	74.4	Confident	34 Å²	34	56.1 Å²	56.1	28%	0.281	29%	0.29	S	S	.	.			trans	-57.6	112.1	-179.8	0	0	0	0	0	110	S569 N682	S569-A571 PolarHBondContact O-N 2.83Å; A571-N682 HydrophobicContact CB-CB 4.47Å; A571-N682 WeakPolarHBondContact CB-O 3.37Å
572	N	51.9	Low	74.2	Confident	122 Å²	122	57 Å²	57	65%	0.652	29%	0.293	S	S	*	.			trans	-10.7	119.6	176.9	-65.6	-11.5	0	0	0	115.7	T570 L574 Q577	T570-N572 PolarHBondContact O-N 3.35Å; N572-L574 PolarHBondContact O-N 3.15Å; N572-Q577 PolarHBondContact O-NE2 3.34Å
573	D	56	Low	74	Confident	127 Å²	127	63.7 Å²	63.7	68%	0.679	32%	0.324	S	S	*	.			trans	-58.6	64.1	170.6	-61.6	-42.8	0	0	0	112.9	F575	D573-F575 PolarHBondContact O-N 2.99Å; D573-F575 VanDerWaalsContact O-N 3.17Å
574	L	58.9	Low	73.9	Confident	110 Å²	110	69.3 Å²	69.3	58%	0.576	35%	0.353	S	S	*	.			trans	-74.7	107.5	169	-97.8	136.5	0	0	0	107.3	N572 F576 Q577	N572-L574 PolarHBondContact O-N 3.15Å; L574-F576 PolarHBondContact O-N 2.77Å; L574-Q577 HydrophobicContact CB-CG 3.82Å; L574-Q577 WeakPolarHBondContact O-CG 2.99Å; L574-Q577 PolarHBondContact O-N 2.73Å
575	F	66.2	Low	73.9	Confident	91 Å²	91	74.4 Å²	74.4	40%	0.399	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-23	173.4	-67.1	-81.5	0	0	0	113.8	D573 W838 A841 G842 I845	D573-F575 PolarHBondContact O-N 2.99Å; D573-F575 VanDerWaalsContact O-N 3.17Å; F575-W838 AromaticContact CE1-CE3 3.82Å; F575-W838 HydrophobicContact CE1-CE3 3.82Å; F575-W838 AromaticContact CE1-CZ3 3.86Å; F575-W838 HydrophobicContact CE1-CZ3 3.86Å; F575-W838 HydrophobicContact CZ-CZ3 4.38Å; F575-A841 HydrophobicContact CD1-CB 4.02Å; F575-G842 WeakPolarHBondContact O-CA 3.25Å; F575-G842 PolarHBondContact O-N 3.38Å; F575-G842 VanDerWaalsContact O-N 3.09Å; F575-I845 HydrophobicContact CB-CD1 4.37Å; F575-I845 HydrophobicContact CD1-CD1 3.87Å; F575-I845 HydrophobicContact CE1-CD1 4.5Å; F575-I845 HydrophobicContact CG-CD1 4.27Å
576	F	69.7	Low	73.9	Confident	96 Å²	96	77.1 Å²	77.1	42%	0.421	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	18.4	-174.9	-59	-75.5	0	0	0	114.9	L574 M578 F579 V846	L574-F576 PolarHBondContact O-N 2.77Å; F576-M578 PolarHBondContact O-N 2.85Å; F576-M578 VanDerWaalsContact O-N 3.17Å; F576-F579 HydrophobicContact CB-CD2 3.97Å; F576-F579 AromaticContact CD1-CD2 3.7Å; F576-F579 HydrophobicContact CD1-CD2 3.7Å; F576-F579 AromaticContact CD1-CE2 3.74Å; F576-F579 HydrophobicContact CD1-CE2 3.74Å; F576-F579 HydrophobicContact CE1-CE2 4.45Å; F576-F579 HydrophobicContact CG-CD2 4.34Å; F576-F579 PolarHBondContact O-N 2.64Å; F576-V846 HydrophobicContact CE1-CG2 4.08Å
577	Q	68.3	Low	74	Confident	55 Å²	55	80.8 Å²	80.8	26%	0.257	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-53.7	-36.6	179.1	-79.1	178.7	11.2	0	0	113.1	N572 L574 F579 H580 F677	N572-Q577 PolarHBondContact O-NE2 3.34Å; L574-Q577 HydrophobicContact CB-CG 3.82Å; L574-Q577 WeakPolarHBondContact O-CG 2.99Å; L574-Q577 PolarHBondContact O-N 2.73Å; Q577-F579 PolarHBondContact O-N 2.89Å; Q577-F579 VanDerWaalsContact O-N 3.14Å; Q577-H580 PolarHBondContact O-N 2.82Å; Q577-F677 HydrophobicContact CB-CE1 3.92Å; Q577-F677 HydrophobicContact CB-CZ 3.87Å; Q577-F677 HydrophobicContact CG-CZ 4.26Å
578	M	70.6	Confident	74.3	Confident	34 Å²	34	82.8 Å²	82.8	17%	0.167	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-57.2	-26.2	175.2	-178.4	179.5	-73.7	0	0	113.9	F576 L581 L674 V840	F576-M578 PolarHBondContact O-N 2.85Å; F576-M578 VanDerWaalsContact O-N 3.17Å; M578-L581 VanDerWaalsContact O-CD1 3.31Å; M578-L581 WeakPolarHBondContact O-CD1 3.31Å; M578-L581 WeakPolarHBondContact O-CG 3.43Å; M578-L674 HydrophobicContact CE-CD1 3.87Å; M578-L674 HydrophobicContact CE-CD2 4.43Å; M578-L674 HydrophobicContact CG-CD1 3.88Å; M578-L674 HydrophobicContact SD-CD1 4.49Å; M578-V840 HydrophobicContact CE-CG1 4.39Å
579	F	73.4	Confident	75	Confident	83 Å²	83	84.5 Å²	84.5	36%	0.364	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-85.9	-15.6	179.6	-65.6	-77.6	0	0	0	113.4	F576 Q577 L581 V846	F576-F579 HydrophobicContact CB-CD2 3.97Å; F576-F579 AromaticContact CD1-CD2 3.7Å; F576-F579 HydrophobicContact CD1-CD2 3.7Å; F576-F579 AromaticContact CD1-CE2 3.74Å; F576-F579 HydrophobicContact CD1-CE2 3.74Å; F576-F579 HydrophobicContact CE1-CE2 4.45Å; F576-F579 HydrophobicContact CG-CD2 4.34Å; F576-F579 PolarHBondContact O-N 2.64Å; Q577-F579 PolarHBondContact O-N 2.89Å; Q577-F579 VanDerWaalsContact O-N 3.14Å; F579-L581 PolarHBondContact O-N 2.71Å; F579-V846 HydrophobicContact CE2-CG2 4.23Å; F579-V846 HydrophobicContact CZ-CG2 4.06Å
580	H	74.7	Confident	76.1	Confident	166 Å²	166	83.3 Å²	83.3	77%	0.769	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-82.3	0.8	-180	-163.6	-75.4	0	0	0	113	Q577 F582	Q577-H580 PolarHBondContact O-N 2.82Å; H580-F582 VanDerWaalsContact C-N 3.31Å; H580-F582 PolarHBondContact O-N 3.35Å
581	L	79.4	Confident	77.6	Confident	23 Å²	23	81.9 Å²	81.9	12%	0.12	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-58.1	-45.2	177.2	-64.4	173	0	0	0	111.5	M578 F579 L674 F677	M578-L581 VanDerWaalsContact O-CD1 3.31Å; M578-L581 WeakPolarHBondContact O-CD1 3.31Å; M578-L581 WeakPolarHBondContact O-CG 3.43Å; F579-L581 PolarHBondContact O-N 2.71Å; L581-L674 HydrophobicContact CD1-CB 3.7Å; L581-L674 HydrophobicContact CD1-CD1 3.82Å; L581-L674 HydrophobicContact CD1-CG 4.35Å; L581-F677 HydrophobicContact CD2-CB 3.66Å; L581-F677 HydrophobicContact CD2-CD1 4.48Å; L581-F677 HydrophobicContact CD2-CD2 4.36Å; L581-F677 HydrophobicContact CD2-CG 3.92Å
582	F	85.5	Confident	79.3	Confident	30 Å²	30	83.2 Å²	83.2	13%	0.132	43%	0.427	C	S	.	.	S	Bend	trans	-103.7	137.8	175.8	-67.1	-36.9	0	0	0	112	H580 V586 W587 I669 W670	H580-F582 VanDerWaalsContact C-N 3.31Å; H580-F582 PolarHBondContact O-N 3.35Å; F582-V586 HydrophobicContact CB-CB 4.11Å; F582-V586 HydrophobicContact CB-CG1 4.21Å; F582-V586 HydrophobicContact CD1-CG1 4.37Å; F582-V586 HydrophobicContact CD2-CG1 4.34Å; F582-V586 HydrophobicContact CG-CB 4.49Å; F582-V586 HydrophobicContact CG-CG1 4.07Å; F582-W587 HydrophobicContact CD2-CZ2 4.33Å; F582-I669 HydrophobicContact CE1-CG2 3.95Å; F582-I669 HydrophobicContact CZ-CG2 4.09Å; F582-W670 HydrophobicContact CE2-CB 3.68Å; F582-W670 AromaticContact CE2-CD1 3.66Å; F582-W670 HydrophobicContact CE2-CG 4.02Å; F582-W670 HydrophobicContact CZ-CB 3.71Å; F582-W670 HydrophobicContact CZ-CG 4.4Å
583	Q	86.6	Confident	81.3	Confident	142 Å²	142	78.5 Å²	78.5	66%	0.664	40%	0.404	S	S	*	.			trans	-60.9	149.4	169.2	-63.2	-175.9	3.5	0	0	110.2	N585 V586 W587	Q583-N585 PolarHBondContact O-N 3.41Å; Q583-V586 WeakPolarHBondContact O-CB 3.36Å; Q583-V586 PolarHBondContact O-N 2.82Å; Q583-W587 PolarHBondContact O-N 3.02Å
584	I	87.8	Confident	83	Confident	118 Å²	118	73.1 Å²	73.1	61%	0.605	38%	0.375	S	S	*	.	H	α-helix	trans	-52.5	-32.8	-179.6	-170.5	60.5	0	0	0	113.2	V586 W587 I588	I584-V586 VanDerWaalsContact C-N 3.3Å; I584-V586 PolarHBondContact O-N 2.89Å; I584-W587 WeakPolarHBondContact O-CB 3.12Å; I584-W587 PolarHBondContact O-N 2.92Å; I584-I588 HydrophobicContact CG1-CD1 4.26Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 3.29Å
585	N	92.7	Very high	84.6	Confident	107 Å²	107	71.8 Å²	71.8	57%	0.572	37%	0.371	S	S	*	.	H	α-helix	trans	-62.1	-36.2	177.9	-61.7	-19.2	0	0	0	112.5	Q583 I588 A589	Q583-N585 PolarHBondContact O-N 3.41Å; N585-I588 PolarHBondContact O-N 3.27Å; N585-A589 PolarHBondContact O-N 2.95Å
586	V	91.3	Very high	85.8	Confident	58 Å²	58	71.6 Å²	71.6	35%	0.352	38%	0.377	S	S	.	.	H	α-helix	trans	-71.3	-39.5	178.1	-179.7	0	0	0	0	110.3	F582 Q583 I584 I588 A589 I590	F582-V586 HydrophobicContact CB-CB 4.11Å; F582-V586 HydrophobicContact CB-CG1 4.21Å; F582-V586 HydrophobicContact CD1-CG1 4.37Å; F582-V586 HydrophobicContact CD2-CG1 4.34Å; F582-V586 HydrophobicContact CG-CB 4.49Å; F582-V586 HydrophobicContact CG-CG1 4.07Å; Q583-V586 WeakPolarHBondContact O-CB 3.36Å; Q583-V586 PolarHBondContact O-N 2.82Å; I584-V586 VanDerWaalsContact C-N 3.3Å; I584-V586 PolarHBondContact O-N 2.89Å; V586-I588 VanDerWaalsContact C-N 3.33Å; V586-I588 PolarHBondContact O-N 3.14Å; V586-A589 WeakPolarHBondContact O-CB 3.31Å; V586-A589 PolarHBondContact O-N 3.13Å; V586-A589 VanDerWaalsContact O-N 3.15Å; V586-I590 HydrophobicContact CG1-CD1 3.97Å; V586-I590 HydrophobicContact CG1-CG1 4.45Å; V586-I590 WeakPolarHBondContact O-CG1 3.39Å; V586-I590 PolarHBondContact O-N 3.04Å
587	W	91	Very high	86.8	Confident	76 Å²	76	67.6 Å²	67.6	29%	0.288	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-40.7	174	-76	113	0	0	0	112.6	F582 Q583 I584 A589 I590 T591	F582-W587 HydrophobicContact CD2-CZ2 4.33Å; Q583-W587 PolarHBondContact O-N 3.02Å; I584-W587 WeakPolarHBondContact O-CB 3.12Å; I584-W587 PolarHBondContact O-N 2.92Å; W587-A589 VanDerWaalsContact C-N 3.32Å; W587-I590 PolarHBondContact O-N 3.29Å; W587-T591 WeakPolarHBondContact O-CB 2.97Å; W587-T591 WeakPolarHBondContact O-CG2 3.36Å; W587-T591 PolarHBondContact O-N 2.94Å; W587-T591 PolarHBondContact O-OG1 3.14Å
588	I	93.2	Very high	87.8	Confident	97 Å²	97	65 Å²	65	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-41.8	173.5	-66.1	165.8	0	0	0	110.3	I584 N585 V586 T591 S592	I584-I588 HydrophobicContact CG1-CD1 4.26Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 3.29Å; N585-I588 PolarHBondContact O-N 3.27Å; V586-I588 VanDerWaalsContact C-N 3.33Å; V586-I588 PolarHBondContact O-N 3.14Å; I588-T591 WeakPolarHBondContact CA-OG1 3.47Å; I588-T591 PolarHBondContact O-OG1 2.93Å; I588-S592 VanDerWaalsContact O-CB 3.3Å; I588-S592 WeakPolarHBondContact O-CB 3.2Å; I588-S592 PolarHBondContact O-N 3.29Å; I588-S592 PolarHBondContact O-OG 2.99Å
589	A	92.8	Very high	88.8	Confident	53 Å²	53	65.6 Å²	65.6	44%	0.438	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-46.4	177	0	0	0	0	0	112.2	N585 V586 W587 S592 S593	N585-A589 PolarHBondContact O-N 2.95Å; V586-A589 WeakPolarHBondContact O-CB 3.31Å; V586-A589 PolarHBondContact O-N 3.13Å; V586-A589 VanDerWaalsContact O-N 3.15Å; W587-A589 VanDerWaalsContact C-N 3.32Å; A589-S592 PolarHBondContact O-N 3.29Å; A589-S592 PolarHBondContact O-OG 2.86Å; A589-S593 PolarHBondContact O-N 3.08Å
590	I	91.4	Very high	89.6	Confident	19 Å²	19	63.5 Å²	63.5	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-48	178.3	-66.8	165.8	0	0	0	110.7	V586 W587 S592 S593 V594 M638 V666	V586-I590 HydrophobicContact CG1-CD1 3.97Å; V586-I590 HydrophobicContact CG1-CG1 4.45Å; V586-I590 WeakPolarHBondContact O-CG1 3.39Å; V586-I590 PolarHBondContact O-N 3.04Å; W587-I590 PolarHBondContact O-N 3.29Å; I590-S592 VanDerWaalsContact C-N 3.34Å; I590-S592 PolarHBondContact O-N 2.96Å; I590-S593 WeakPolarHBondContact O-CB 3.38Å; I590-S593 PolarHBondContact O-N 3.43Å; I590-S593 VanDerWaalsContact O-N 3.14Å; I590-S593 PolarHBondContact O-OG 3.18Å; I590-V594 PolarHBondContact O-N 3.31Å; I590-M638 HydrophobicContact CG2-CE 4.27Å; I590-M638 HydrophobicContact CG2-CG 4.21Å; I590-M638 HydrophobicContact CG2-SD 3.84Å; I590-V666 HydrophobicContact CD1-CG1 3.77Å; I590-V666 HydrophobicContact CG1-CG1 4.27Å
591	T	91.1	Very high	90.2	Very high	79 Å²	79	55.9 Å²	55.9	49%	0.485	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-38.4	178.7	49.2	0	0	0	0	112.3	W587 I588 S593 V594 V595	W587-T591 WeakPolarHBondContact O-CB 2.97Å; W587-T591 WeakPolarHBondContact O-CG2 3.36Å; W587-T591 PolarHBondContact O-N 2.94Å; W587-T591 PolarHBondContact O-OG1 3.14Å; I588-T591 WeakPolarHBondContact CA-OG1 3.47Å; I588-T591 PolarHBondContact O-OG1 2.93Å; T591-S593 VanDerWaalsContact C-N 3.28Å; T591-S593 PolarHBondContact O-N 3.38Å; T591-V594 PolarHBondContact O-N 2.67Å; T591-V595 PolarHBondContact O-N 3.12Å
592	S	93.1	Very high	90.5	Very high	62 Å²	62	57.7 Å²	57.7	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-37.5	173.8	78.4	0	0	0	0	112.2	I588 A589 I590 V594 V595 V596	I588-S592 VanDerWaalsContact O-CB 3.3Å; I588-S592 WeakPolarHBondContact O-CB 3.2Å; I588-S592 PolarHBondContact O-N 3.29Å; I588-S592 PolarHBondContact O-OG 2.99Å; A589-S592 PolarHBondContact O-N 3.29Å; A589-S592 PolarHBondContact O-OG 2.86Å; I590-S592 VanDerWaalsContact C-N 3.34Å; I590-S592 PolarHBondContact O-N 2.96Å; S592-V594 VanDerWaalsContact C-N 3.31Å; S592-V594 PolarHBondContact O-N 2.84Å; S592-V595 PolarHBondContact O-N 2.9Å; S592-V596 VanDerWaalsContact O-CG2 3.31Å; S592-V596 WeakPolarHBondContact O-CG2 3.27Å; S592-V596 PolarHBondContact O-N 2.98Å
593	S	92.8	Very high	90.6	Very high	23 Å²	23	59.7 Å²	59.7	16%	0.161	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-35.3	179.7	81.4	0	0	0	0	112.9	A589 I590 T591 L597	A589-S593 PolarHBondContact O-N 3.08Å; I590-S593 WeakPolarHBondContact O-CB 3.38Å; I590-S593 PolarHBondContact O-N 3.43Å; I590-S593 VanDerWaalsContact O-N 3.14Å; I590-S593 PolarHBondContact O-OG 3.18Å; T591-S593 VanDerWaalsContact C-N 3.28Å; T591-S593 PolarHBondContact O-N 3.38Å; S593-L597 WeakPolarHBondContact O-CB 3.26Å; S593-L597 PolarHBondContact O-N 2.84Å
594	V	91.9	Very high	90.6	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-48.2	176.5	176.1	0	0	0	0	110.1	I590 T591 S592 V596 L597 G598 S634 L635 M638 Y659	I590-V594 PolarHBondContact O-N 3.31Å; T591-V594 PolarHBondContact O-N 2.67Å; S592-V594 VanDerWaalsContact C-N 3.31Å; S592-V594 PolarHBondContact O-N 2.84Å; V594-V596 PolarHBondContact O-N 3.15Å; V594-L597 PolarHBondContact O-N 2.92Å; V594-G598 PolarHBondContact O-N 2.57Å; V594-S634 VanDerWaalsContact CG1-OG 3.3Å; V594-S634 WeakPolarHBondContact CG1-OG 3.49Å; V594-S634 PolarHBondContact O-OG 3.36Å; V594-S634 VanDerWaalsContact O-OG 3.07Å; V594-L635 HydrophobicContact CG1-CB 4.08Å; V594-L635 HydrophobicContact CG1-CD1 4.46Å; V594-M638 HydrophobicContact CG2-CB 3.97Å; V594-M638 HydrophobicContact CG2-CG 4.13Å; V594-M638 HydrophobicContact CG2-SD 3.67Å; V594-Y659 WeakPolarHBondContact CG2-OH 3.41Å
595	V	92.4	Very high	90.4	Very high	82 Å²	82	50.9 Å²	50.9	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-44.3	179.7	179.5	0	0	0	0	110.9	T591 S592 L597 T599	T591-V595 PolarHBondContact O-N 3.12Å; S592-V595 PolarHBondContact O-N 2.9Å; V595-L597 PolarHBondContact O-N 3.29Å; V595-T599 HydrophobicContact CG1-CG2 4.39Å; V595-T599 WeakPolarHBondContact O-CB 3.41Å; V595-T599 VanDerWaalsContact O-CG2 3.28Å; V595-T599 WeakPolarHBondContact O-CG2 3.22Å; V595-T599 PolarHBondContact O-N 2.67Å; V595-T599 PolarHBondContact O-OG1 3.4Å
596	V	91.9	Very high	89.9	Confident	87 Å²	87	50 Å²	50	53%	0.527	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-45	177.5	171.2	0	0	0	0	111	S592 V594 T599 T600	S592-V596 VanDerWaalsContact O-CG2 3.31Å; S592-V596 WeakPolarHBondContact O-CG2 3.27Å; S592-V596 PolarHBondContact O-N 2.98Å; V594-V596 PolarHBondContact O-N 3.15Å; V596-T599 PolarHBondContact O-OG1 3.33Å; V596-T600 WeakPolarHBondContact O-CB 3.42Å; V596-T600 PolarHBondContact O-N 3.29Å; V596-T600 PolarHBondContact O-OG1 3.38Å
597	L	90.9	Very high	89.6	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-50.3	178.7	-173.2	81.5	0	0	0	111.9	S593 V594 V595 T599 T600 V601 L655 Y659	S593-L597 WeakPolarHBondContact O-CB 3.26Å; S593-L597 PolarHBondContact O-N 2.84Å; V594-L597 PolarHBondContact O-N 2.92Å; V595-L597 PolarHBondContact O-N 3.29Å; L597-T599 VanDerWaalsContact C-N 3.27Å; L597-T599 PolarHBondContact O-N 3.12Å; L597-T600 PolarHBondContact O-N 3.37Å; L597-T600 VanDerWaalsContact O-N 3.08Å; L597-V601 HydrophobicContact CD1-CG2 4.22Å; L597-V601 HydrophobicContact CG-CG2 4.03Å; L597-V601 WeakPolarHBondContact O-CG2 3.24Å; L597-V601 PolarHBondContact O-N 3.07Å; L597-L655 HydrophobicContact CD1-CD1 4.24Å; L597-L655 HydrophobicContact CD1-CD2 3.77Å; L597-L655 HydrophobicContact CD1-CG 3.63Å; L597-Y659 HydrophobicContact CB-CD2 4.39Å; L597-Y659 HydrophobicContact CB-CE2 4.3Å; L597-Y659 HydrophobicContact CD1-CD1 4.4Å; L597-Y659 HydrophobicContact CD1-CD2 4.15Å; L597-Y659 HydrophobicContact CD1-CG 3.91Å; L597-Y659 HydrophobicContact CD2-CD1 3.12Å; L597-Y659 HydrophobicContact CD2-CD2 3.96Å; L597-Y659 HydrophobicContact CD2-CE1 3.3Å; L597-Y659 HydrophobicContact CD2-CE2 4.14Å; L597-Y659 HydrophobicContact CD2-CG 3.47Å; L597-Y659 VanDerWaalsContact CD2-CG 3.47Å; L597-Y659 HydrophobicContact CG-CD1 4.29Å; L597-Y659 HydrophobicContact CG-CD2 4.4Å; L597-Y659 HydrophobicContact CG-CG 4.21Å
598	G	90.2	Very high	89.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-36.8	-176.4	0	0	0	0	0	112.4	V594 W602 N630	V594-G598 PolarHBondContact O-N 2.57Å; G598-W602 VanDerWaalsContact O-CB 3.25Å; G598-W602 WeakPolarHBondContact O-CB 3.38Å; G598-W602 PolarHBondContact O-N 3.43Å; G598-N630 WeakPolarHBondContact O-CB 3.48Å
599	T	90.9	Very high	88.5	Confident	48 Å²	48	52.4 Å²	52.4	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-41.2	172.4	52.3	0	0	0	0	112.3	V595 V596 L597 W602 L603 L627	V595-T599 HydrophobicContact CG1-CG2 4.39Å; V595-T599 WeakPolarHBondContact O-CB 3.41Å; V595-T599 VanDerWaalsContact O-CG2 3.28Å; V595-T599 WeakPolarHBondContact O-CG2 3.22Å; V595-T599 PolarHBondContact O-N 2.67Å; V595-T599 PolarHBondContact O-OG1 3.4Å; V596-T599 PolarHBondContact O-OG1 3.33Å; L597-T599 VanDerWaalsContact C-N 3.27Å; L597-T599 PolarHBondContact O-N 3.12Å; T599-W602 WeakPolarHBondContact O-CB 3.24Å; T599-W602 PolarHBondContact O-N 2.82Å; T599-L603 WeakPolarHBondContact O-CG 3.5Å; T599-L603 PolarHBondContact O-N 3.4Å; T599-L627 HydrophobicContact CG2-CD1 4.12Å
600	T	89.1	Confident	87.7	Confident	38 Å²	38	55 Å²	55	23%	0.233	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-41.1	179.7	-52.9	0	0	0	0	112.4	V596 L597 W602 L603 F604 L655	V596-T600 WeakPolarHBondContact O-CB 3.42Å; V596-T600 PolarHBondContact O-N 3.29Å; V596-T600 PolarHBondContact O-OG1 3.38Å; L597-T600 PolarHBondContact O-N 3.37Å; L597-T600 VanDerWaalsContact O-N 3.08Å; T600-W602 VanDerWaalsContact C-N 3.33Å; T600-L603 WeakPolarHBondContact O-CB 3.23Å; T600-L603 PolarHBondContact O-N 3.09Å; T600-F604 HydrophobicContact CG2-CD2 4.31Å; T600-F604 HydrophobicContact CG2-CE2 3.76Å; T600-F604 HydrophobicContact CG2-CZ 3.88Å; T600-F604 WeakPolarHBondContact O-CG 3.44Å; T600-F604 PolarHBondContact O-N 3.08Å; T600-L655 HydrophobicContact CG2-CD2 3.51Å
601	V	87.4	Confident	87	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-39.3	175.4	176.3	0	0	0	0	110.6	L597 L603 F604 N605 N630 L647 L655	L597-V601 HydrophobicContact CD1-CG2 4.22Å; L597-V601 HydrophobicContact CG-CG2 4.03Å; L597-V601 WeakPolarHBondContact O-CG2 3.24Å; L597-V601 PolarHBondContact O-N 3.07Å; V601-L603 PolarHBondContact O-N 3.28Å; V601-F604 PolarHBondContact O-N 3.33Å; V601-N605 WeakPolarHBondContact O-CB 3.46Å; V601-N605 PolarHBondContact O-N 3.25Å; V601-N630 WeakPolarHBondContact CG1-OD1 3.47Å; V601-L647 HydrophobicContact CG1-CD2 4.12Å; V601-L655 HydrophobicContact CG2-CD2 4.27Å
602	W	87	Confident	85.9	Confident	60 Å²	60	50.4 Å²	50.4	23%	0.227	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-44.8	171.1	170	72.8	0	0	0	112.3	G598 T599 T600 F604 N605 K606 V625 L627 N630	G598-W602 VanDerWaalsContact O-CB 3.25Å; G598-W602 WeakPolarHBondContact O-CB 3.38Å; G598-W602 PolarHBondContact O-N 3.43Å; T599-W602 WeakPolarHBondContact O-CB 3.24Å; T599-W602 PolarHBondContact O-N 2.82Å; T600-W602 VanDerWaalsContact C-N 3.33Å; W602-F604 VanDerWaalsContact C-N 3.33Å; W602-F604 PolarHBondContact O-N 3.32Å; W602-N605 PolarHBondContact O-N 2.9Å; W602-K606 HydrophobicContact CH2-CD 4.36Å; W602-K606 HydrophobicContact CZ2-CD 3.75Å; W602-K606 WeakPolarHBondContact O-CB 3.35Å; W602-K606 PolarHBondContact O-N 3.17Å; W602-V625 PolarHBondContact NE1-O 2.81Å; W602-L627 HydrophobicContact CB-CD1 3.89Å; W602-L627 HydrophobicContact CD2-CB 4.37Å; W602-L627 HydrophobicContact CD2-CD1 3.93Å; W602-L627 HydrophobicContact CE3-CD1 4.19Å; W602-L627 HydrophobicContact CG-CB 4.18Å; W602-L627 HydrophobicContact CG-CD1 3.78Å; W602-N630 HydrophobicContact CB-CB 3.88Å
603	L	87.5	Confident	84.8	Confident	72 Å²	72	52.9 Å²	52.9	38%	0.377	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-44	175.2	-72.4	172.6	0	0	0	111.5	T599 T600 V601 K606 Y607	T599-L603 WeakPolarHBondContact O-CG 3.5Å; T599-L603 PolarHBondContact O-N 3.4Å; T600-L603 WeakPolarHBondContact O-CB 3.23Å; T600-L603 PolarHBondContact O-N 3.09Å; V601-L603 PolarHBondContact O-N 3.28Å; L603-K606 PolarHBondContact O-N 2.93Å; L603-Y607 HydrophobicContact CB-CD2 4.46Å; L603-Y607 HydrophobicContact CD2-CD2 3.95Å; L603-Y607 HydrophobicContact CD2-CE2 3.57Å; L603-Y607 WeakPolarHBondContact O-CB 3.34Å; L603-Y607 WeakPolarHBondContact O-CD2 3.35Å; L603-Y607 PolarHBondContact O-N 3.46Å
604	F	87.3	Confident	83.9	Confident	59 Å²	59	55.2 Å²	55.2	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-43.7	176.7	-66.7	-32.2	0	0	0	112.5	T600 V601 W602 K606 S608 S651 L655	T600-F604 HydrophobicContact CG2-CD2 4.31Å; T600-F604 HydrophobicContact CG2-CE2 3.76Å; T600-F604 HydrophobicContact CG2-CZ 3.88Å; T600-F604 WeakPolarHBondContact O-CG 3.44Å; T600-F604 PolarHBondContact O-N 3.08Å; V601-F604 PolarHBondContact O-N 3.33Å; W602-F604 VanDerWaalsContact C-N 3.33Å; W602-F604 PolarHBondContact O-N 3.32Å; F604-K606 VanDerWaalsContact C-N 3.28Å; F604-K606 PolarHBondContact O-N 3.47Å; F604-S608 WeakPolarHBondContact O-CB 3.08Å; F604-S608 PolarHBondContact O-N 2.79Å; F604-S651 WeakPolarHBondContact CE1-OG 3.33Å; F604-S651 WeakPolarHBondContact CE2-OG 3.48Å; F604-S651 WeakPolarHBondContact CZ-OG 3.14Å; F604-L655 HydrophobicContact CD2-CD2 4.31Å; F604-L655 HydrophobicContact CE2-CB 4.31Å; F604-L655 HydrophobicContact CE2-CD2 3.7Å
605	N	82.5	Confident	83.1	Confident	17 Å²	17	59 Å²	59	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-32.7	179.5	-73.1	-19.7	0	0	0	112.3	V601 W602 S611 E624 N630	V601-N605 WeakPolarHBondContact O-CB 3.46Å; V601-N605 PolarHBondContact O-N 3.25Å; W602-N605 PolarHBondContact O-N 2.9Å; N605-S611 VanDerWaalsContact O-CB 3.25Å; N605-S611 WeakPolarHBondContact O-CB 3.27Å; N605-S611 PolarHBondContact O-OG 3.02Å; N605-E624 PolarHBondContact ND2-O 2.64Å; N605-N630 PolarHBondContact ND2-OD1 2.78Å
606	K	82.5	Confident	82.2	Confident	89 Å²	89	63.4 Å²	63.4	39%	0.387	32%	0.315	S	S	.	.	H	α-helix	trans	-79.3	-45.9	178.8	-170.4	176.4	179.6	-174.7	0	113.5	W602 L603 F604 N614 V625	W602-K606 HydrophobicContact CH2-CD 4.36Å; W602-K606 HydrophobicContact CZ2-CD 3.75Å; W602-K606 WeakPolarHBondContact O-CB 3.35Å; W602-K606 PolarHBondContact O-N 3.17Å; L603-K606 PolarHBondContact O-N 2.93Å; F604-K606 VanDerWaalsContact C-N 3.28Å; F604-K606 PolarHBondContact O-N 3.47Å; K606-N614 PolarHBondContact O-ND2 2.72Å; K606-V625 HydrophobicContact CB-CG1 3.97Å; K606-V625 HydrophobicContact CG-CG1 4.07Å
607	Y	84.2	Confident	81.1	Confident	156 Å²	156	62.2 Å²	62.2	61%	0.612	31%	0.306	S	S	*	.	H	α-helix	trans	-102	-22.1	-169.3	-65	-64.9	0	0	0	114.9	L603	L603-Y607 HydrophobicContact CB-CD2 4.46Å; L603-Y607 HydrophobicContact CD2-CD2 3.95Å; L603-Y607 HydrophobicContact CD2-CE2 3.57Å; L603-Y607 WeakPolarHBondContact O-CB 3.34Å; L603-Y607 WeakPolarHBondContact O-CD2 3.35Å; L603-Y607 PolarHBondContact O-N 3.46Å
608	S	83.5	Confident	80	Confident	24 Å²	24	68 Å²	68	17%	0.168	34%	0.344	C	S	.	.			trans	-71	126.7	-178.8	-179.4	0	0	0	0	110.4	F604 L610 S611 N614 C649	F604-S608 WeakPolarHBondContact O-CB 3.08Å; F604-S608 PolarHBondContact O-N 2.79Å; S608-L610 PolarHBondContact O-N 2.99Å; S608-L610 VanDerWaalsContact O-N 3.12Å; S608-L610 PolarHBondContact OG-N 2.71Å; S608-S611 WeakPolarHBondContact O-CB 3.37Å; S608-S611 PolarHBondContact O-N 3.28Å; S608-S611 VanDerWaalsContact O-N 3.14Å; S608-S611 PolarHBondContact O-OG 3.1Å; S608-N614 PolarHBondContact O-ND2 2.78Å; S608-C649 WeakPolarHBondContact CB-SG 3.22Å; S608-C649 PolarHBondContact OG-SG 3.15Å
609	P	78.1	Confident	78.9	Confident	101 Å²	101	73.7 Å²	73.7	66%	0.656	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	177.5	26.9	-34.5	0	0	0	112.8	S611	P609-S611 VanDerWaalsContact C-N 3.34Å
610	L	76.3	Confident	77.7	Confident	106 Å²	106	72.3 Å²	72.3	56%	0.555	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	10	179.9	-65.8	160.3	0	0	0	113.1	S608 C649	S608-L610 PolarHBondContact O-N 2.99Å; S608-L610 VanDerWaalsContact O-N 3.12Å; S608-L610 PolarHBondContact OG-N 2.71Å; L610-C649 PolarHBondContact O-SG 2.95Å
611	S	76.1	Confident	76.8	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.007	38%	0.379	C	S	.	.	S	Bend	trans	-75.4	150.8	178.2	77.5	0	0	0	0	111	N605 S608 P609 W613 N614 L615 C649	N605-S611 VanDerWaalsContact O-CB 3.25Å; N605-S611 WeakPolarHBondContact O-CB 3.27Å; N605-S611 PolarHBondContact O-OG 3.02Å; S608-S611 WeakPolarHBondContact O-CB 3.37Å; S608-S611 PolarHBondContact O-N 3.28Å; S608-S611 VanDerWaalsContact O-N 3.14Å; S608-S611 PolarHBondContact O-OG 3.1Å; P609-S611 VanDerWaalsContact C-N 3.34Å; S611-W613 PolarHBondContact O-N 2.89Å; S611-N614 PolarHBondContact O-N 2.71Å; S611-N614 VanDerWaalsContact O-N 3.09Å; S611-N614 WeakPolarHBondContact OG-CB 3.29Å; S611-N614 PolarHBondContact OG-N 3.12Å; S611-N614 PolarHBondContact OG-ND2 3.17Å; S611-L615 WeakPolarHBondContact O-CB 3.42Å; S611-L615 WeakPolarHBondContact O-CG 3.16Å; S611-L615 PolarHBondContact O-N 2.73Å; S611-C649 WeakPolarHBondContact CA-SG 3.36Å; S611-C649 PolarHBondContact N-SG 3.47Å; S611-C649 VanDerWaalsContact N-SG 3.38Å
612	G	68.9	Low	76	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.01	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.2	-177.9	0	0	0	0	0	113	Q616 L617 A620 F648	G612-Q616 PolarHBondContact O-N 3.25Å; G612-L617 PolarHBondContact O-N 3.04Å; G612-A620 VanDerWaalsContact O-CB 3.31Å; G612-A620 WeakPolarHBondContact O-CB 3.24Å; G612-F648 VanDerWaalsContact CA-CD2 3.43Å
613	W	69.5	Low	75.3	Confident	114 Å²	114	80.1 Å²	80.1	43%	0.432	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-47.5	172.6	-173.5	-95.6	0	0	0	112.9	S611 L615 Q616 V625	S611-W613 PolarHBondContact O-N 2.89Å; W613-L615 VanDerWaalsContact C-N 3.27Å; W613-L615 PolarHBondContact O-N 3.18Å; W613-Q616 PolarHBondContact O-N 2.87Å; W613-Q616 VanDerWaalsContact O-N 3.1Å; W613-V625 HydrophobicContact CB-CG2 3.56Å; W613-V625 HydrophobicContact CD2-CG2 3.77Å; W613-V625 HydrophobicContact CE3-CG2 4.36Å; W613-V625 HydrophobicContact CG-CG2 3.4Å; W613-V625 VanDerWaalsContact CG-CG2 3.4Å
614	N	73.8	Confident	74.6	Confident	73 Å²	73	77.6 Å²	77.6	39%	0.39	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.6	-180	-72.3	-20.1	0	0	0	112.5	K606 S608 S611 Q616	K606-N614 PolarHBondContact O-ND2 2.72Å; S608-N614 PolarHBondContact O-ND2 2.78Å; S611-N614 PolarHBondContact O-N 2.71Å; S611-N614 VanDerWaalsContact O-N 3.09Å; S611-N614 WeakPolarHBondContact OG-CB 3.29Å; S611-N614 PolarHBondContact OG-N 3.12Å; S611-N614 PolarHBondContact OG-ND2 3.17Å; N614-Q616 VanDerWaalsContact C-N 3.33Å
615	L	76.1	Confident	74.2	Confident	91 Å²	91	76.3 Å²	76.3	48%	0.476	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.3	172.3	-71.8	166	0	0	0	113.8	S611 W613 L617	S611-L615 WeakPolarHBondContact O-CB 3.42Å; S611-L615 WeakPolarHBondContact O-CG 3.16Å; S611-L615 PolarHBondContact O-N 2.73Å; W613-L615 VanDerWaalsContact C-N 3.27Å; W613-L615 PolarHBondContact O-N 3.18Å; L615-L617 HydrophobicContact CB-CD1 4.15Å; L615-L617 HydrophobicContact CB-CG 4.03Å; L615-L617 HydrophobicContact CD1-CD1 4.35Å; L615-L617 PolarHBondContact O-N 2.9Å
616	Q	72	Confident	74.2	Confident	175 Å²	175	77.3 Å²	77.3	82%	0.818	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	41.1	-177.1	-62.1	-177	-9.7	0	0	113.4	G612 W613 N614	G612-Q616 PolarHBondContact O-N 3.25Å; W613-Q616 PolarHBondContact O-N 2.87Å; W613-Q616 VanDerWaalsContact O-N 3.1Å; N614-Q616 VanDerWaalsContact C-N 3.33Å
617	L	69.2	Low	74.5	Confident	62 Å²	62	76.1 Å²	76.1	33%	0.325	40%	0.404	S	S	.	.			trans	-65.9	143	178.1	-71	161.2	0	0	0	109.8	G612 L615 E619 A620 F648	G612-L617 PolarHBondContact O-N 3.04Å; L615-L617 HydrophobicContact CB-CD1 4.15Å; L615-L617 HydrophobicContact CB-CG 4.03Å; L615-L617 HydrophobicContact CD1-CD1 4.35Å; L615-L617 PolarHBondContact O-N 2.9Å; L617-E619 PolarHBondContact O-N 3.18Å; L617-A620 HydrophobicContact CB-CB 4.35Å; L617-A620 VanDerWaalsContact O-CB 3.29Å; L617-A620 WeakPolarHBondContact O-CB 3.29Å; L617-A620 PolarHBondContact O-N 2.94Å; L617-F648 HydrophobicContact CD1-CD1 3.74Å; L617-F648 HydrophobicContact CD1-CE1 3.43Å; L617-F648 VanDerWaalsContact CD1-CE1 3.43Å; L617-F648 HydrophobicContact CD1-CG 4.41Å; L617-F648 HydrophobicContact CD1-CZ 3.88Å
618	P	67.7	Low	74.7	Confident	134 Å²	134	73.2 Å²	73.2	87%	0.87	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	-179.2	23	-32.4	0	0	0	113.5
619	E	67.6	Low	74.9	Confident	119 Å²	119	74.6 Å²	74.6	56%	0.556	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.6	176	-61.7	176.7	179.3	0	0	113.4	L617 N621 R646	L617-E619 PolarHBondContact O-N 3.18Å; E619-N621 PolarHBondContact O-N 3.4Å; E619-R646 IonicContact OE1-NH1 3.86Å; E619-R646 IonicContact OE2-CZ 3.37Å; E619-R646 IonicContact OE2-NH1 2.91Å; E619-R646 PolarHBondContact OE2-NH1 3.14Å
620	A	65.4	Low	75.3	Confident	19 Å²	19	69.9 Å²	69.9	16%	0.157	38%	0.375	C	S	.	.			trans	-80.8	112.4	-172.5	0	0	0	0	0	111.7	G612 L617	G612-A620 VanDerWaalsContact O-CB 3.31Å; G612-A620 WeakPolarHBondContact O-CB 3.24Å; L617-A620 HydrophobicContact CB-CB 4.35Å; L617-A620 VanDerWaalsContact O-CB 3.29Å; L617-A620 WeakPolarHBondContact O-CB 3.29Å; L617-A620 PolarHBondContact O-N 2.94Å
621	N	69.7	Low	75.9	Confident	102 Å²	102	67.4 Å²	67.4	55%	0.545	36%	0.362	S	S	.	.			trans	-86.5	146.2	178.7	-70.7	-29.1	0	0	0	111.7	E619 N623 E624	E619-N621 PolarHBondContact O-N 3.4Å; N621-N623 PolarHBondContact O-N 3.45Å; N621-E624 WeakPolarHBondContact O-CB 3.04Å; N621-E624 PolarHBondContact O-N 3.2Å
622	S	70.9	Confident	76.5	Confident	76 Å²	76	73.8 Å²	73.8	53%	0.531	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-57.8	-21	174.4	57.2	0	0	0	0	114	E624	S622-E624 VanDerWaalsContact C-N 3.33Å
623	N	71.5	Confident	77.4	Confident	91 Å²	91	74.4 Å²	74.4	49%	0.487	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-72	-25.3	179.3	-65.5	-8.9	0	0	0	112.7	N621 V625 S626 Y629	N621-N623 PolarHBondContact O-N 3.45Å; N623-V625 PolarHBondContact O-N 2.76Å; N623-S626 WeakPolarHBondContact O-CB 3.3Å; N623-S626 PolarHBondContact O-N 3.01Å; N623-S626 PolarHBondContact O-OG 2.89Å; N623-Y629 HydrophobicContact CB-CD1 4.45Å; N623-Y629 HydrophobicContact CB-CD2 4.36Å; N623-Y629 HydrophobicContact CB-CG 4.24Å; N623-Y629 VanDerWaalsContact O-CB 3.27Å; N623-Y629 WeakPolarHBondContact O-CB 3.06Å; N623-Y629 WeakPolarHBondContact O-CD1 3.34Å
624	E	74.1	Confident	78.2	Confident	20 Å²	20	69.1 Å²	69.1	9%	0.093	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-60.5	-28.3	-179.2	-66.5	-176	175.3	0	0	112.8	N605 N621 S622 Y629 N630	N605-E624 PolarHBondContact ND2-O 2.64Å; N621-E624 WeakPolarHBondContact O-CB 3.04Å; N621-E624 PolarHBondContact O-N 3.2Å; S622-E624 VanDerWaalsContact C-N 3.33Å; E624-Y629 HydrophobicContact CG-CE1 4.44Å; E624-N630 PolarHBondContact O-ND2 2.82Å
625	V	78	Confident	79	Confident	31 Å²	31	68.5 Å²	68.5	19%	0.188	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-93.5	-3.8	179	-164.2	0	0	0	0	112.2	W602 K606 W613 N623	W602-V625 PolarHBondContact NE1-O 2.81Å; K606-V625 HydrophobicContact CB-CG1 3.97Å; K606-V625 HydrophobicContact CG-CG1 4.07Å; W613-V625 HydrophobicContact CB-CG2 3.56Å; W613-V625 HydrophobicContact CD2-CG2 3.77Å; W613-V625 HydrophobicContact CE3-CG2 4.36Å; W613-V625 HydrophobicContact CG-CG2 3.4Å; W613-V625 VanDerWaalsContact CG-CG2 3.4Å; N623-V625 PolarHBondContact O-N 2.76Å
626	S	84.1	Confident	79.7	Confident	38 Å²	38	66.5 Å²	66.5	27%	0.266	35%	0.352	S	S	.	.			trans	-80.5	130.1	179.3	76	0	0	0	0	111.1	N623 P628 Y629 N630	N623-S626 WeakPolarHBondContact O-CB 3.3Å; N623-S626 PolarHBondContact O-N 3.01Å; N623-S626 PolarHBondContact O-OG 2.89Å; S626-P628 VanDerWaalsContact C-CD 3.5Å; S626-Y629 PolarHBondContact O-N 3.36Å; S626-Y629 WeakPolarHBondContact OG-CB 3.27Å; S626-N630 PolarHBondContact O-N 3.42Å; S626-N630 PolarHBondContact O-ND2 3.4Å
627	L	87.1	Confident	80.4	Confident	64 Å²	64	58.6 Å²	58.6	34%	0.335	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-43.6	177.7	178.4	68.1	0	0	0	112.5	T599 W602 Y629 N630 L631	T599-L627 HydrophobicContact CG2-CD1 4.12Å; W602-L627 HydrophobicContact CB-CD1 3.89Å; W602-L627 HydrophobicContact CD2-CB 4.37Å; W602-L627 HydrophobicContact CD2-CD1 3.93Å; W602-L627 HydrophobicContact CE3-CD1 4.19Å; W602-L627 HydrophobicContact CG-CB 4.18Å; W602-L627 HydrophobicContact CG-CD1 3.78Å; L627-Y629 VanDerWaalsContact C-N 3.3Å; L627-Y629 PolarHBondContact O-N 3.45Å; L627-N630 PolarHBondContact O-N 3.42Å; L627-L631 HydrophobicContact CD1-CD1 4.2Å; L627-L631 HydrophobicContact CD1-CG 4.21Å; L627-L631 HydrophobicContact CD2-CD1 4.48Å; L627-L631 HydrophobicContact CG-CD1 3.94Å; L627-L631 HydrophobicContact CG-CG 4.4Å; L627-L631 PolarHBondContact O-N 3.48Å
628	P	88.7	Confident	81.3	Confident	96 Å²	96	57.9 Å²	57.9	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-59.9	-39.2	178.8	-24.7	35.5	0	0	0	113.1	S626 L631 W632	S626-P628 VanDerWaalsContact C-CD 3.5Å; P628-L631 PolarHBondContact O-N 2.97Å; P628-W632 VanDerWaalsContact O-CB 3.31Å; P628-W632 WeakPolarHBondContact O-CB 3.48Å; P628-W632 PolarHBondContact O-N 2.97Å
629	Y	87.2	Confident	82.3	Confident	53 Å²	53	56 Å²	56	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-41.3	178	-177.6	-108.1	0	0	0	112.1	N623 E624 S626 L627 W632 I633	N623-Y629 HydrophobicContact CB-CD1 4.45Å; N623-Y629 HydrophobicContact CB-CD2 4.36Å; N623-Y629 HydrophobicContact CB-CG 4.24Å; N623-Y629 VanDerWaalsContact O-CB 3.27Å; N623-Y629 WeakPolarHBondContact O-CB 3.06Å; N623-Y629 WeakPolarHBondContact O-CD1 3.34Å; E624-Y629 HydrophobicContact CG-CE1 4.44Å; S626-Y629 PolarHBondContact O-N 3.36Å; S626-Y629 WeakPolarHBondContact OG-CB 3.27Å; L627-Y629 VanDerWaalsContact C-N 3.3Å; L627-Y629 PolarHBondContact O-N 3.45Å; Y629-W632 PolarHBondContact O-N 3.05Å; Y629-I633 HydrophobicContact CD1-CD1 3.59Å; Y629-I633 HydrophobicContact CE1-CD1 3.19Å; Y629-I633 HydrophobicContact CE1-CG1 4.26Å; Y629-I633 HydrophobicContact CE2-CD1 4.28Å; Y629-I633 HydrophobicContact CG-CD1 4.29Å; Y629-I633 WeakPolarHBondContact O-CG1 3.5Å; Y629-I633 PolarHBondContact O-N 3.16Å
630	N	86.9	Confident	83.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-67.4	-38.7	177.3	-73.6	-77.3	0	0	0	112.3	G598 V601 W602 N605 E624 S626 L627 I633 S634	G598-N630 WeakPolarHBondContact O-CB 3.48Å; V601-N630 WeakPolarHBondContact CG1-OD1 3.47Å; W602-N630 HydrophobicContact CB-CB 3.88Å; N605-N630 PolarHBondContact ND2-OD1 2.78Å; E624-N630 PolarHBondContact O-ND2 2.82Å; S626-N630 PolarHBondContact O-N 3.42Å; S626-N630 PolarHBondContact O-ND2 3.4Å; L627-N630 PolarHBondContact O-N 3.42Å; N630-I633 PolarHBondContact O-N 2.91Å; N630-S634 PolarHBondContact O-N 2.9Å; N630-S634 PolarHBondContact O-OG 3.33Å
631	L	90	Very high	84.2	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-42.8	171.6	-73.7	169.7	0	0	0	111.3	L627 P628 I633 S634 L635	L627-L631 HydrophobicContact CD1-CD1 4.2Å; L627-L631 HydrophobicContact CD1-CG 4.21Å; L627-L631 HydrophobicContact CD2-CD1 4.48Å; L627-L631 HydrophobicContact CG-CD1 3.94Å; L627-L631 HydrophobicContact CG-CG 4.4Å; L627-L631 PolarHBondContact O-N 3.48Å; P628-L631 PolarHBondContact O-N 2.97Å; L631-I633 PolarHBondContact O-N 2.92Å; L631-S634 WeakPolarHBondContact CA-OG 3.18Å; L631-S634 PolarHBondContact O-N 3.23Å; L631-S634 PolarHBondContact O-OG 2.91Å; L631-L635 PolarHBondContact O-N 2.94Å
632	W	89	Confident	84.6	Confident	134 Å²	134	56.5 Å²	56.5	51%	0.508	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.2	-175	-111.4	0	0	0	112.5	P628 Y629 L635 R636	P628-W632 VanDerWaalsContact O-CB 3.31Å; P628-W632 WeakPolarHBondContact O-CB 3.48Å; P628-W632 PolarHBondContact O-N 2.97Å; Y629-W632 PolarHBondContact O-N 3.05Å; W632-L635 HydrophobicContact CE3-CD2 4.11Å; W632-L635 HydrophobicContact CZ3-CD2 4Å; W632-L635 PolarHBondContact O-N 2.9Å; W632-R636 VanDerWaalsContact NE1-CZ 3.28Å; W632-R636 WeakPolarHBondContact O-CG 3.46Å; W632-R636 PolarHBondContact O-N 2.93Å
633	I	86.2	Confident	84.7	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.077	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.7	-70.7	165.7	0	0	0	111.1	Y629 N630 L631 L635 R636 C637 Q643	Y629-I633 HydrophobicContact CD1-CD1 3.59Å; Y629-I633 HydrophobicContact CE1-CD1 3.19Å; Y629-I633 HydrophobicContact CE1-CG1 4.26Å; Y629-I633 HydrophobicContact CE2-CD1 4.28Å; Y629-I633 HydrophobicContact CG-CD1 4.29Å; Y629-I633 WeakPolarHBondContact O-CG1 3.5Å; Y629-I633 PolarHBondContact O-N 3.16Å; N630-I633 PolarHBondContact O-N 2.91Å; L631-I633 PolarHBondContact O-N 2.92Å; I633-L635 VanDerWaalsContact C-N 3.29Å; I633-L635 PolarHBondContact O-N 3.19Å; I633-R636 WeakPolarHBondContact O-CB 2.99Å; I633-R636 PolarHBondContact O-N 3.46Å; I633-C637 PolarHBondContact O-N 3.46Å; I633-C637 PolarHBondContact O-SG 3.06Å; I633-Q643 HydrophobicContact CG2-CG 4.06Å
634	S	88	Confident	84.5	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-38.9	178.5	65.4	0	0	0	0	112.3	V594 N630 L631 C637 M638	V594-S634 VanDerWaalsContact CG1-OG 3.3Å; V594-S634 WeakPolarHBondContact CG1-OG 3.49Å; V594-S634 PolarHBondContact O-OG 3.36Å; V594-S634 VanDerWaalsContact O-OG 3.07Å; N630-S634 PolarHBondContact O-N 2.9Å; N630-S634 PolarHBondContact O-OG 3.33Å; L631-S634 WeakPolarHBondContact CA-OG 3.18Å; L631-S634 PolarHBondContact O-N 3.23Å; L631-S634 PolarHBondContact O-OG 2.91Å; S634-C637 PolarHBondContact O-N 2.58Å; S634-M638 PolarHBondContact O-N 2.75Å; S634-M638 VanDerWaalsContact O-N 3.17Å
635	L	90.7	Very high	84.2	Confident	60 Å²	60	57.6 Å²	57.6	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-41.7	174.3	-178.4	65.3	0	0	0	111.6	V594 L631 W632 I633 C637 M638 L639	V594-L635 HydrophobicContact CG1-CB 4.08Å; V594-L635 HydrophobicContact CG1-CD1 4.46Å; L631-L635 PolarHBondContact O-N 2.94Å; W632-L635 HydrophobicContact CE3-CD2 4.11Å; W632-L635 HydrophobicContact CZ3-CD2 4Å; W632-L635 PolarHBondContact O-N 2.9Å; I633-L635 VanDerWaalsContact C-N 3.29Å; I633-L635 PolarHBondContact O-N 3.19Å; L635-C637 VanDerWaalsContact C-N 3.31Å; L635-C637 PolarHBondContact O-N 3.36Å; L635-M638 HydrophobicContact CD1-SD 4.28Å; L635-M638 WeakPolarHBondContact O-CB 3.42Å; L635-M638 PolarHBondContact O-N 3.29Å; L635-L639 HydrophobicContact CD1-CD1 4.44Å; L635-L639 HydrophobicContact CG-CD1 4.19Å; L635-L639 WeakPolarHBondContact O-CG 3.5Å; L635-L639 PolarHBondContact O-N 2.02Å
636	R	88.9	Confident	83.7	Confident	48 Å²	48	63.1 Å²	63.1	18%	0.181	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-43.9	174.5	-78.1	-175.2	168	179.3	0.4	111.7	W632 I633 M638 L639 L640 Q641 E644	W632-R636 VanDerWaalsContact NE1-CZ 3.28Å; W632-R636 WeakPolarHBondContact O-CG 3.46Å; W632-R636 PolarHBondContact O-N 2.93Å; I633-R636 WeakPolarHBondContact O-CB 2.99Å; I633-R636 PolarHBondContact O-N 3.46Å; R636-M638 PolarHBondContact O-N 3.33Å; R636-L639 CarbonylContact O-C 3.57Å; R636-L639 PolarHBondContact O-N 2.98Å; R636-L640 PolarHBondContact O-N 2.74Å; R636-Q641 HydrophobicContact CB-CB 4Å; R636-Q641 HydrophobicContact CG-CB 4.31Å; R636-Q641 WeakPolarHBondContact O-CB 3.43Å; R636-Q641 PolarHBondContact O-N 2.97Å; R636-E644 IonicContact CZ-OE2 3.13Å; R636-E644 IonicContact NH1-OE1 3.64Å; R636-E644 IonicContact NH1-OE2 3.64Å; R636-E644 PolarHBondContact NH1-OE2 2.94Å; R636-E644 IonicContact NH2-OE2 3.52Å
637	C	87.4	Confident	83.1	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-44.6	176	-69.3	0	0	0	0	112.1	I633 S634 L635 L639 L640 Y659 I663	I633-C637 PolarHBondContact O-N 3.46Å; I633-C637 PolarHBondContact O-SG 3.06Å; S634-C637 PolarHBondContact O-N 2.58Å; L635-C637 VanDerWaalsContact C-N 3.31Å; L635-C637 PolarHBondContact O-N 3.36Å; C637-L639 PolarHBondContact O-N 3.13Å; C637-L640 PolarHBondContact O-N 2.91Å; C637-Y659 HydrophobicContact CB-CD1 4.16Å; C637-Y659 HydrophobicContact CB-CE1 3.88Å; C637-I663 VanDerWaalsContact C-CD1 3.41Å; C637-I663 HydrophobicContact CB-CD1 3.92Å; C637-I663 VanDerWaalsContact O-CD1 3.31Å; C637-I663 WeakPolarHBondContact O-CD1 3.23Å
638	M	88	Confident	82.3	Confident	47 Å²	47	61 Å²	61	23%	0.232	31%	0.307	C	S	.	.	H	α-helix	trans	-57.2	-39.1	175.6	-177.2	-155.3	126.7	0	0	111.6	I590 V594 S634 L635 R636 L640	I590-M638 HydrophobicContact CG2-CE 4.27Å; I590-M638 HydrophobicContact CG2-CG 4.21Å; I590-M638 HydrophobicContact CG2-SD 3.84Å; V594-M638 HydrophobicContact CG2-CB 3.97Å; V594-M638 HydrophobicContact CG2-CG 4.13Å; V594-M638 HydrophobicContact CG2-SD 3.67Å; S634-M638 PolarHBondContact O-N 2.75Å; S634-M638 VanDerWaalsContact O-N 3.17Å; L635-M638 HydrophobicContact CD1-SD 4.28Å; L635-M638 WeakPolarHBondContact O-CB 3.42Å; L635-M638 PolarHBondContact O-N 3.29Å; R636-M638 PolarHBondContact O-N 3.33Å; M638-L640 PolarHBondContact O-N 3.26Å
639	L	88.9	Confident	81.8	Confident	95 Å²	95	56.5 Å²	56.5	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	12.5	177.9	-64.1	173.8	0	0	0	113.7	L635 R636 C637 Q641	L635-L639 HydrophobicContact CD1-CD1 4.44Å; L635-L639 HydrophobicContact CG-CD1 4.19Å; L635-L639 WeakPolarHBondContact O-CG 3.5Å; L635-L639 PolarHBondContact O-N 2.02Å; R636-L639 CarbonylContact O-C 3.57Å; R636-L639 PolarHBondContact O-N 2.98Å; C637-L639 PolarHBondContact O-N 3.13Å; L639-Q641 HydrophobicContact CB-CG 4.2Å; L639-Q641 PolarHBondContact O-N 2.99Å; L639-Q641 VanDerWaalsContact O-N 3.11Å
640	L	87.8	Confident	81.6	Confident	90 Å²	90	61.4 Å²	61.4	47%	0.471	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	26.9	-176.6	-65.2	170.1	0	0	0	113.8	R636 C637 M638 I663 H667	R636-L640 PolarHBondContact O-N 2.74Å; C637-L640 PolarHBondContact O-N 2.91Å; M638-L640 PolarHBondContact O-N 3.26Å; L640-I663 HydrophobicContact CD2-CG2 3.99Å; L640-I663 HydrophobicContact CG-CG2 4.39Å; L640-H667 HydrophobicContact CD1-CB 4.31Å; L640-H667 WeakPolarHBondContact CD1-CD2 3.28Å
641	Q	85.6	Confident	81.7	Confident	98 Å²	98	64 Å²	64	46%	0.458	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-83.4	142.3	172.4	-62.4	-174	-0.7	0	0	110.1	R636 L639	R636-Q641 HydrophobicContact CB-CB 4Å; R636-Q641 HydrophobicContact CG-CB 4.31Å; R636-Q641 WeakPolarHBondContact O-CB 3.43Å; R636-Q641 PolarHBondContact O-N 2.97Å; L639-Q641 HydrophobicContact CB-CG 4.2Å; L639-Q641 PolarHBondContact O-N 2.99Å; L639-Q641 VanDerWaalsContact O-N 3.11Å
642	G	78	Confident	81.4	Confident	63 Å²	63	61.4 Å²	61.4	65%	0.649	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-58.2	145.2	178.2	0	0	0	0	0	112.5
643	Q	72.8	Confident	81.2	Confident	57 Å²	57	60.8 Å²	60.8	27%	0.266	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-85.1	119.2	177.1	-172.9	177.9	14.1	0	0	110.3	I633 G645 L647	I633-Q643 HydrophobicContact CG2-CG 4.06Å; Q643-G645 VanDerWaalsContact CD-O 3.28Å; Q643-G645 WeakPolarHBondContact CG-O 3.24Å; Q643-G645 PolarHBondContact NE2-O 3.26Å; Q643-G645 VanDerWaalsContact NE2-O 3.16Å; Q643-L647 VanDerWaalsContact NE2-CG 3.32Å
644	E	67.1	Low	81.3	Confident	144 Å²	144	62.9 Å²	62.9	67%	0.673	32%	0.316	S	S	*	.			trans	-83.9	-28.3	174	-70.6	170.7	175.3	0	0	112.4	R636	R636-E644 IonicContact CZ-OE2 3.13Å; R636-E644 IonicContact NH1-OE1 3.64Å; R636-E644 IonicContact NH1-OE2 3.64Å; R636-E644 PolarHBondContact NH1-OE2 2.94Å; R636-E644 IonicContact NH2-OE2 3.52Å
645	G	67.3	Low	81.4	Confident	9 Å²	9	65.4 Å²	65.4	9%	0.093	33%	0.329	C	S	.	.	S	Bend	trans	-82.7	123.9	-177.7	0	0	0	0	0	112.7	Q643 L647	Q643-G645 VanDerWaalsContact CD-O 3.28Å; Q643-G645 WeakPolarHBondContact CG-O 3.24Å; Q643-G645 PolarHBondContact NE2-O 3.26Å; Q643-G645 VanDerWaalsContact NE2-O 3.16Å; G645-L647 PolarHBondContact O-N 3.06Å
646	R	69	Low	81.1	Confident	147 Å²	147	62.8 Å²	62.8	56%	0.555	32%	0.316	S	S	*	.			trans	-73.9	119.1	179.7	-161.8	176	-149.8	178.4	4.3	110.6	E619 F648	E619-R646 IonicContact OE1-NH1 3.86Å; E619-R646 IonicContact OE2-CZ 3.37Å; E619-R646 IonicContact OE2-NH1 2.91Å; E619-R646 PolarHBondContact OE2-NH1 3.14Å; R646-F648 HydrophobicContact CB-CE2 3.96Å; R646-F648 HydrophobicContact CB-CZ 4.04Å; R646-F648 HydrophobicContact CG-CE1 4.21Å; R646-F648 HydrophobicContact CG-CE2 4.34Å; R646-F648 HydrophobicContact CG-CZ 4.06Å; R646-F648 VanDerWaalsContact O-CD2 3.3Å; R646-F648 WeakPolarHBondContact O-CD2 3.45Å; R646-F648 PolarHBondContact O-N 3.03Å
647	L	71.2	Confident	81.1	Confident	18 Å²	18	65.1 Å²	65.1	9%	0.094	33%	0.331	C	S	.	.			trans	-81.4	106.5	172.7	-64	166.8	0	0	0	109.7	V601 Q643 G645 R653 S656	V601-L647 HydrophobicContact CG1-CD2 4.12Å; Q643-L647 VanDerWaalsContact NE2-CG 3.32Å; G645-L647 PolarHBondContact O-N 3.06Å; L647-R653 HydrophobicContact CB-CG 4.03Å; L647-R653 PolarHBondContact O-NE 2.92Å; L647-R653 PolarHBondContact O-NH2 2.82Å; L647-S656 VanDerWaalsContact CD1-CB 3.49Å; L647-S656 WeakPolarHBondContact CD1-OG 3.22Å
648	F	70.6	Confident	81.3	Confident	38 Å²	38	70.5 Å²	70.5	17%	0.167	36%	0.357	C	S	.	.			trans	-80.7	-42.4	179.2	-66.9	-82	0	0	0	112.7	G612 L617 R646	G612-F648 VanDerWaalsContact CA-CD2 3.43Å; L617-F648 HydrophobicContact CD1-CD1 3.74Å; L617-F648 HydrophobicContact CD1-CE1 3.43Å; L617-F648 VanDerWaalsContact CD1-CE1 3.43Å; L617-F648 HydrophobicContact CD1-CG 4.41Å; L617-F648 HydrophobicContact CD1-CZ 3.88Å; R646-F648 HydrophobicContact CB-CE2 3.96Å; R646-F648 HydrophobicContact CB-CZ 4.04Å; R646-F648 HydrophobicContact CG-CE1 4.21Å; R646-F648 HydrophobicContact CG-CE2 4.34Å; R646-F648 HydrophobicContact CG-CZ 4.06Å; R646-F648 VanDerWaalsContact O-CD2 3.3Å; R646-F648 WeakPolarHBondContact O-CD2 3.45Å; R646-F648 PolarHBondContact O-N 3.03Å
649	C	77.4	Confident	81.4	Confident	2 Å²	2	69 Å²	69	1%	0.014	35%	0.349	C	S	.	.	S	Bend	trans	-71.1	139.4	-174.3	-56.8	0	0	0	0	112.2	S608 L610 S611 S651 S652 R653	S608-C649 WeakPolarHBondContact CB-SG 3.22Å; S608-C649 PolarHBondContact OG-SG 3.15Å; L610-C649 PolarHBondContact O-SG 2.95Å; S611-C649 WeakPolarHBondContact CA-SG 3.36Å; S611-C649 PolarHBondContact N-SG 3.47Å; S611-C649 VanDerWaalsContact N-SG 3.38Å; C649-S651 VanDerWaalsContact C-N 3.33Å; C649-S651 PolarHBondContact O-N 3.22Å; C649-S652 WeakPolarHBondContact CB-OG 3.42Å; C649-S652 PolarHBondContact O-N 3.46Å; C649-S652 PolarHBondContact O-OG 2.83Å; C649-R653 WeakPolarHBondContact O-CG 3.49Å; C649-R653 PolarHBondContact O-N 3.18Å
650	F	83.6	Confident	81.5	Confident	157 Å²	157	69.5 Å²	69.5	69%	0.689	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-42.2	174.1	-169.4	-96.4	0	0	0	112.1	S652 R653 T654	F650-S652 PolarHBondContact O-N 3.44Å; F650-R653 WeakPolarHBondContact O-CB 3.27Å; F650-R653 PolarHBondContact O-N 2.92Å; F650-T654 PolarHBondContact O-N 3.03Å; F650-T654 PolarHBondContact O-OG1 3.31Å
651	S	87.2	Confident	81.7	Confident	56 Å²	56	71.9 Å²	71.9	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-45.1	178.1	177.9	0	0	0	0	112.9	F604 C649 R653 T654 L655	F604-S651 WeakPolarHBondContact CE1-OG 3.33Å; F604-S651 WeakPolarHBondContact CE2-OG 3.48Å; F604-S651 WeakPolarHBondContact CZ-OG 3.14Å; C649-S651 VanDerWaalsContact C-N 3.33Å; C649-S651 PolarHBondContact O-N 3.22Å; S651-R653 VanDerWaalsContact C-N 3.34Å; S651-R653 PolarHBondContact O-N 3.07Å; S651-T654 PolarHBondContact O-N 3.42Å; S651-L655 PolarHBondContact O-N 3.01Å
652	S	84.5	Confident	82	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-35.2	177.5	67.2	0	0	0	0	111.7	C649 F650 L655 S656	C649-S652 WeakPolarHBondContact CB-OG 3.42Å; C649-S652 PolarHBondContact O-N 3.46Å; C649-S652 PolarHBondContact O-OG 2.83Å; F650-S652 PolarHBondContact O-N 3.44Å; S652-L655 PolarHBondContact O-N 3.38Å; S652-S656 WeakPolarHBondContact O-CB 3.33Å; S652-S656 PolarHBondContact O-N 3.3Å; S652-S656 PolarHBondContact O-OG 2.84Å; S652-S656 VanDerWaalsContact O-OG 3.06Å
653	R	86.1	Confident	82.6	Confident	121 Å²	121	68.2 Å²	68.2	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-47.6	172.7	-72.1	175.7	-177.1	-175	3	111.9	L647 C649 F650 S651 S656 L657	L647-R653 HydrophobicContact CB-CG 4.03Å; L647-R653 PolarHBondContact O-NE 2.92Å; L647-R653 PolarHBondContact O-NH2 2.82Å; C649-R653 WeakPolarHBondContact O-CG 3.49Å; C649-R653 PolarHBondContact O-N 3.18Å; F650-R653 WeakPolarHBondContact O-CB 3.27Å; F650-R653 PolarHBondContact O-N 2.92Å; S651-R653 VanDerWaalsContact C-N 3.34Å; S651-R653 PolarHBondContact O-N 3.07Å; R653-S656 PolarHBondContact O-N 2.94Å; R653-L657 WeakPolarHBondContact O-CB 3.3Å; R653-L657 VanDerWaalsContact O-CG 3.24Å; R653-L657 WeakPolarHBondContact O-CG 3.49Å; R653-L657 PolarHBondContact O-N 2.95Å
654	T	88.1	Confident	83.5	Confident	58 Å²	58	70.7 Å²	70.7	36%	0.356	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-44.3	178.9	-52.7	0	0	0	0	111.6	F650 S651 L657 M658	F650-T654 PolarHBondContact O-N 3.03Å; F650-T654 PolarHBondContact O-OG1 3.31Å; S651-T654 PolarHBondContact O-N 3.42Å; T654-L657 PolarHBondContact O-N 2.76Å; T654-M658 WeakPolarHBondContact O-CG 3.41Å; T654-M658 PolarHBondContact O-N 2.8Å
655	L	89.2	Confident	84.7	Confident	56 Å²	56	66.9 Å²	66.9	29%	0.293	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-45.4	177.6	-177.6	65.8	0	0	0	111.6	L597 T600 V601 F604 S651 S652 M658 Y659	L597-L655 HydrophobicContact CD1-CD1 4.24Å; L597-L655 HydrophobicContact CD1-CD2 3.77Å; L597-L655 HydrophobicContact CD1-CG 3.63Å; T600-L655 HydrophobicContact CG2-CD2 3.51Å; V601-L655 HydrophobicContact CG2-CD2 4.27Å; F604-L655 HydrophobicContact CD2-CD2 4.31Å; F604-L655 HydrophobicContact CE2-CB 4.31Å; F604-L655 HydrophobicContact CE2-CD2 3.7Å; S651-L655 PolarHBondContact O-N 3.01Å; S652-L655 PolarHBondContact O-N 3.38Å; L655-M658 PolarHBondContact O-N 3.04Å; L655-Y659 WeakPolarHBondContact O-CB 3.25Å; L655-Y659 PolarHBondContact O-N 2.61Å
656	S	85.1	Confident	85.9	Confident	6 Å²	6	68.6 Å²	68.6	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-38.4	177.8	-66	0	0	0	0	112.6	L647 S652 R653 Y659 W660	L647-S656 VanDerWaalsContact CD1-CB 3.49Å; L647-S656 WeakPolarHBondContact CD1-OG 3.22Å; S652-S656 WeakPolarHBondContact O-CB 3.33Å; S652-S656 PolarHBondContact O-N 3.3Å; S652-S656 PolarHBondContact O-OG 2.84Å; S652-S656 VanDerWaalsContact O-OG 3.06Å; R653-S656 PolarHBondContact O-N 2.94Å; S656-Y659 PolarHBondContact O-N 3.34Å; S656-W660 WeakPolarHBondContact O-CB 3.28Å; S656-W660 PolarHBondContact O-N 2.85Å
657	L	89.2	Confident	87	Confident	96 Å²	96	64.6 Å²	64.6	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-45.5	173.8	-76.5	168.9	0	0	0	112.1	R653 T654 Y659 W660 F661	R653-L657 WeakPolarHBondContact O-CB 3.3Å; R653-L657 VanDerWaalsContact O-CG 3.24Å; R653-L657 WeakPolarHBondContact O-CG 3.49Å; R653-L657 PolarHBondContact O-N 2.95Å; T654-L657 PolarHBondContact O-N 2.76Å; L657-Y659 VanDerWaalsContact C-N 3.35Å; L657-W660 HydrophobicContact CD2-CE3 3.83Å; L657-W660 HydrophobicContact CD2-CZ3 3.86Å; L657-W660 PolarHBondContact O-N 2.77Å; L657-F661 PolarHBondContact O-N 2.79Å; L657-F661 VanDerWaalsContact O-N 3.09Å
658	M	90.7	Very high	88	Confident	123 Å²	123	66.3 Å²	66.3	61%	0.606	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-38.1	177.3	-68.3	-61.7	128.7	0	0	112	T654 L655 F661 M662	T654-M658 WeakPolarHBondContact O-CG 3.41Å; T654-M658 PolarHBondContact O-N 2.8Å; L655-M658 PolarHBondContact O-N 3.04Å; M658-F661 WeakPolarHBondContact O-CB 3.46Å; M658-F661 PolarHBondContact O-N 3.05Å; M658-M662 PolarHBondContact O-N 3.13Å
659	Y	90.9	Very high	89	Confident	14 Å²	14	68.9 Å²	68.9	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-40.7	175.5	-172.8	-110.1	0	0	0	112.4	V594 L597 C637 L655 S656 L657 F661 M662 I663	V594-Y659 WeakPolarHBondContact CG2-OH 3.41Å; L597-Y659 HydrophobicContact CB-CD2 4.39Å; L597-Y659 HydrophobicContact CB-CE2 4.3Å; L597-Y659 HydrophobicContact CD1-CD1 4.4Å; L597-Y659 HydrophobicContact CD1-CD2 4.15Å; L597-Y659 HydrophobicContact CD1-CG 3.91Å; L597-Y659 HydrophobicContact CD2-CD1 3.12Å; L597-Y659 HydrophobicContact CD2-CD2 3.96Å; L597-Y659 HydrophobicContact CD2-CE1 3.3Å; L597-Y659 HydrophobicContact CD2-CE2 4.14Å; L597-Y659 HydrophobicContact CD2-CG 3.47Å; L597-Y659 VanDerWaalsContact CD2-CG 3.47Å; L597-Y659 HydrophobicContact CG-CD1 4.29Å; L597-Y659 HydrophobicContact CG-CD2 4.4Å; L597-Y659 HydrophobicContact CG-CG 4.21Å; C637-Y659 HydrophobicContact CB-CD1 4.16Å; C637-Y659 HydrophobicContact CB-CE1 3.88Å; L655-Y659 WeakPolarHBondContact O-CB 3.25Å; L655-Y659 PolarHBondContact O-N 2.61Å; S656-Y659 PolarHBondContact O-N 3.34Å; L657-Y659 VanDerWaalsContact C-N 3.35Å; Y659-F661 VanDerWaalsContact C-N 3.29Å; Y659-F661 PolarHBondContact O-N 3.32Å; Y659-M662 HydrophobicContact CD2-CE 3.74Å; Y659-M662 HydrophobicContact CE2-CE 3.39Å; Y659-M662 WeakPolarHBondContact O-CB 3.19Å; Y659-M662 PolarHBondContact O-N 2.95Å; Y659-I663 HydrophobicContact CD1-CD1 3.32Å; Y659-I663 HydrophobicContact CD1-CG1 4.18Å; Y659-I663 HydrophobicContact CE1-CD1 3.03Å; Y659-I663 HydrophobicContact CE1-CG1 3.86Å; Y659-I663 HydrophobicContact CE2-CD1 4.42Å; Y659-I663 HydrophobicContact CE2-CG1 4.42Å; Y659-I663 HydrophobicContact CG-CD1 4.16Å; Y659-I663 WeakPolarHBondContact O-CG1 3.49Å; Y659-I663 PolarHBondContact O-N 3.13Å
660	W	89.5	Confident	89.6	Confident	107 Å²	107	72.3 Å²	72.3	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-40.4	172.9	-67.9	-15.4	0	0	0	111.9	S656 L657 I663 L664	S656-W660 WeakPolarHBondContact O-CB 3.28Å; S656-W660 PolarHBondContact O-N 2.85Å; L657-W660 HydrophobicContact CD2-CE3 3.83Å; L657-W660 HydrophobicContact CD2-CZ3 3.86Å; L657-W660 PolarHBondContact O-N 2.77Å; W660-I663 PolarHBondContact O-N 3.4Å; W660-L664 WeakPolarHBondContact O-CB 3.49Å; W660-L664 PolarHBondContact O-N 2.72Å
661	F	91.9	Very high	89.8	Confident	139 Å²	139	69.9 Å²	69.9	61%	0.61	35%	0.35	S	S	*	.	H	α-helix	trans	-62.5	-45	174.1	-174.6	-100.1	0	0	0	111.9	L657 M658 Y659 L664 V665	L657-F661 PolarHBondContact O-N 2.79Å; L657-F661 VanDerWaalsContact O-N 3.09Å; M658-F661 WeakPolarHBondContact O-CB 3.46Å; M658-F661 PolarHBondContact O-N 3.05Å; Y659-F661 VanDerWaalsContact C-N 3.29Å; Y659-F661 PolarHBondContact O-N 3.32Å; F661-L664 WeakPolarHBondContact O-CB 3.07Å; F661-L664 PolarHBondContact O-N 3.46Å; F661-V665 HydrophobicContact CD1-CG2 4.37Å; F661-V665 HydrophobicContact CE1-CG2 3.99Å; F661-V665 HydrophobicContact CZ-CG2 4.13Å; F661-V665 WeakPolarHBondContact O-CG2 3.42Å; F661-V665 PolarHBondContact O-N 3.09Å
662	M	92.1	Very high	89.9	Confident	75 Å²	75	70.1 Å²	70.1	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-46.9	176.8	-172.5	-158.4	75	0	0	112.1	M658 Y659 L664 V665 V666	M658-M662 PolarHBondContact O-N 3.13Å; Y659-M662 HydrophobicContact CD2-CE 3.74Å; Y659-M662 HydrophobicContact CE2-CE 3.39Å; Y659-M662 WeakPolarHBondContact O-CB 3.19Å; Y659-M662 PolarHBondContact O-N 2.95Å; M662-L664 VanDerWaalsContact C-N 3.34Å; M662-L664 PolarHBondContact O-N 3.29Å; M662-V665 PolarHBondContact O-N 3.43Å; M662-V666 WeakPolarHBondContact O-CG2 3.11Å; M662-V666 PolarHBondContact O-N 2.93Å
663	I	91.6	Very high	90.1	Very high	10 Å²	10	73.2 Å²	73.2	5%	0.051	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-42.1	177.7	-65.9	159.8	0	0	0	110.9	C637 L640 Y659 W660 V665 V666 H667	C637-I663 VanDerWaalsContact C-CD1 3.41Å; C637-I663 HydrophobicContact CB-CD1 3.92Å; C637-I663 VanDerWaalsContact O-CD1 3.31Å; C637-I663 WeakPolarHBondContact O-CD1 3.23Å; L640-I663 HydrophobicContact CD2-CG2 3.99Å; L640-I663 HydrophobicContact CG-CG2 4.39Å; Y659-I663 HydrophobicContact CD1-CD1 3.32Å; Y659-I663 HydrophobicContact CD1-CG1 4.18Å; Y659-I663 HydrophobicContact CE1-CD1 3.03Å; Y659-I663 HydrophobicContact CE1-CG1 3.86Å; Y659-I663 HydrophobicContact CE2-CD1 4.42Å; Y659-I663 HydrophobicContact CE2-CG1 4.42Å; Y659-I663 HydrophobicContact CG-CD1 4.16Å; Y659-I663 WeakPolarHBondContact O-CG1 3.49Å; Y659-I663 PolarHBondContact O-N 3.13Å; W660-I663 PolarHBondContact O-N 3.4Å; I663-V665 VanDerWaalsContact C-N 3.27Å; I663-V665 PolarHBondContact O-N 2.86Å; I663-V666 PolarHBondContact O-N 3.39Å; I663-H667 VanDerWaalsContact O-CB 3.26Å; I663-H667 WeakPolarHBondContact O-CB 3.35Å; I663-H667 PolarHBondContact O-N 2.77Å
664	L	91.7	Very high	89.9	Confident	108 Å²	108	68.6 Å²	68.6	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-55.8	-44.7	175.6	-94	167.5	0	0	0	111.3	W660 F661 M662 A668	W660-L664 WeakPolarHBondContact O-CB 3.49Å; W660-L664 PolarHBondContact O-N 2.72Å; F661-L664 WeakPolarHBondContact O-CB 3.07Å; F661-L664 PolarHBondContact O-N 3.46Å; M662-L664 VanDerWaalsContact C-N 3.34Å; M662-L664 PolarHBondContact O-N 3.29Å; L664-A668 VanDerWaalsContact O-CB 3.3Å; L664-A668 WeakPolarHBondContact O-CB 3.41Å; L664-A668 PolarHBondContact O-N 3.26Å
665	V	92.8	Very high	89.6	Confident	65 Å²	65	69.6 Å²	69.6	39%	0.394	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-48.3	177.3	173.2	0	0	0	0	111.4	F661 M662 I663 H667 A668 I669	F661-V665 HydrophobicContact CD1-CG2 4.37Å; F661-V665 HydrophobicContact CE1-CG2 3.99Å; F661-V665 HydrophobicContact CZ-CG2 4.13Å; F661-V665 WeakPolarHBondContact O-CG2 3.42Å; F661-V665 PolarHBondContact O-N 3.09Å; M662-V665 PolarHBondContact O-N 3.43Å; I663-V665 VanDerWaalsContact C-N 3.27Å; I663-V665 PolarHBondContact O-N 2.86Å; V665-H667 VanDerWaalsContact C-N 3.34Å; V665-H667 PolarHBondContact O-N 3.26Å; V665-A668 PolarHBondContact O-N 3.02Å; V665-I669 HydrophobicContact CG1-CD1 3.95Å; V665-I669 WeakPolarHBondContact O-CG1 3.42Å; V665-I669 PolarHBondContact O-N 2.91Å
666	V	91.6	Very high	89.1	Confident	44 Å²	44	69.3 Å²	69.3	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-43.7	179.4	171	0	0	0	0	111.2	I590 M662 I663 I669 W670	I590-V666 HydrophobicContact CD1-CG1 3.77Å; I590-V666 HydrophobicContact CG1-CG1 4.27Å; M662-V666 WeakPolarHBondContact O-CG2 3.11Å; M662-V666 PolarHBondContact O-N 2.93Å; I663-V666 PolarHBondContact O-N 3.39Å; V666-I669 PolarHBondContact O-N 2.75Å; V666-W670 WeakPolarHBondContact O-CB 3.14Å; V666-W670 PolarHBondContact O-N 3.43Å
667	H	91.3	Very high	88.6	Confident	63 Å²	63	72 Å²	72	29%	0.292	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-40.6	177.3	-174.9	-82.7	0	0	0	111.6	L640 I663 V665 W670 Q671	L640-H667 HydrophobicContact CD1-CB 4.31Å; L640-H667 WeakPolarHBondContact CD1-CD2 3.28Å; I663-H667 VanDerWaalsContact O-CB 3.26Å; I663-H667 WeakPolarHBondContact O-CB 3.35Å; I663-H667 PolarHBondContact O-N 2.77Å; V665-H667 VanDerWaalsContact C-N 3.34Å; V665-H667 PolarHBondContact O-N 3.26Å; H667-W670 AromaticContact NE2-CZ3 3.96Å; H667-W670 PolarHBondContact O-N 3.16Å; H667-Q671 VanDerWaalsContact O-CB 3.25Å; H667-Q671 WeakPolarHBondContact O-CB 3.34Å; H667-Q671 PolarHBondContact O-N 3.29Å
668	A	92.3	Very high	87.8	Confident	54 Å²	54	69.8 Å²	69.8	45%	0.446	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.2	0	0	0	0	0	112.1	L664 V665 Q671 A672	L664-A668 VanDerWaalsContact O-CB 3.3Å; L664-A668 WeakPolarHBondContact O-CB 3.41Å; L664-A668 PolarHBondContact O-N 3.26Å; V665-A668 PolarHBondContact O-N 3.02Å; A668-Q671 PolarHBondContact O-N 2.66Å; A668-A672 WeakPolarHBondContact O-CB 3.42Å; A668-A672 PolarHBondContact O-N 3.29Å
669	I	91.7	Very high	86.7	Confident	93 Å²	93	67.2 Å²	67.2	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-46.1	175.5	-65.6	167.6	0	0	0	110.4	F582 V665 V666 Q671 A672 D673	F582-I669 HydrophobicContact CE1-CG2 3.95Å; F582-I669 HydrophobicContact CZ-CG2 4.09Å; V665-I669 HydrophobicContact CG1-CD1 3.95Å; V665-I669 WeakPolarHBondContact O-CG1 3.42Å; V665-I669 PolarHBondContact O-N 2.91Å; V666-I669 PolarHBondContact O-N 2.75Å; I669-Q671 VanDerWaalsContact C-N 3.32Å; I669-Q671 PolarHBondContact O-N 2.74Å; I669-A672 PolarHBondContact O-N 3.41Å; I669-D673 WeakPolarHBondContact O-CB 3.32Å; I669-D673 PolarHBondContact O-N 3.28Å
670	W	89.7	Confident	85.4	Confident	74 Å²	74	73.1 Å²	73.1	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-45.2	177.8	177.7	69.4	0	0	0	111.7	F582 V666 H667 L674	F582-W670 HydrophobicContact CE2-CB 3.68Å; F582-W670 AromaticContact CE2-CD1 3.66Å; F582-W670 HydrophobicContact CE2-CG 4.02Å; F582-W670 HydrophobicContact CZ-CB 3.71Å; F582-W670 HydrophobicContact CZ-CG 4.4Å; V666-W670 WeakPolarHBondContact O-CB 3.14Å; V666-W670 PolarHBondContact O-N 3.43Å; H667-W670 AromaticContact NE2-CZ3 3.96Å; H667-W670 PolarHBondContact O-N 3.16Å; W670-L674 HydrophobicContact CH2-CD2 4.13Å; W670-L674 HydrophobicContact CZ2-CD2 4.13Å; W670-L674 WeakPolarHBondContact O-CB 3.5Å; W670-L674 PolarHBondContact O-N 3.33Å
671	Q	89.1	Confident	84.1	Confident	106 Å²	106	71.3 Å²	71.3	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-65.4	-40.4	177.9	-176.3	178.5	-17.9	0	0	112.1	H667 A668 I669 T675	H667-Q671 VanDerWaalsContact O-CB 3.25Å; H667-Q671 WeakPolarHBondContact O-CB 3.34Å; H667-Q671 PolarHBondContact O-N 3.29Å; A668-Q671 PolarHBondContact O-N 2.66Å; I669-Q671 VanDerWaalsContact C-N 3.32Å; I669-Q671 PolarHBondContact O-N 2.74Å; Q671-T675 WeakPolarHBondContact O-CB 2.87Å; Q671-T675 PolarHBondContact O-N 2.87Å; Q671-T675 PolarHBondContact O-OG1 3.16Å
672	A	89.8	Confident	82.5	Confident	61 Å²	61	68.2 Å²	68.2	50%	0.504	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-46.8	177.6	0	0	0	0	0	111.8	A668 I669 T675 A676	A668-A672 WeakPolarHBondContact O-CB 3.42Å; A668-A672 PolarHBondContact O-N 3.29Å; I669-A672 PolarHBondContact O-N 3.41Å; A672-T675 PolarHBondContact O-N 3.12Å; A672-A676 PolarHBondContact O-N 3.42Å
673	D	86.9	Confident	81.1	Confident	65 Å²	65	68.1 Å²	68.1	35%	0.348	37%	0.373	S	S	.	.	H	α-helix	trans	-68.8	-38.7	-179.5	-162.9	46	0	0	0	111.7	I669 T675 A676 F677	I669-D673 WeakPolarHBondContact O-CB 3.32Å; I669-D673 PolarHBondContact O-N 3.28Å; D673-T675 VanDerWaalsContact C-N 3.33Å; D673-T675 PolarHBondContact O-N 3.27Å; D673-A676 PolarHBondContact O-N 3.46Å; D673-F677 VanDerWaalsContact O-CB 3.26Å; D673-F677 WeakPolarHBondContact O-CB 3.32Å; D673-F677 PolarHBondContact O-N 3.45Å
674	L	83.4	Confident	79.9	Confident	24 Å²	24	74 Å²	74	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-46.7	170.3	178.5	64.5	0	0	0	111.1	M578 L581 W670 F677 L678	M578-L674 HydrophobicContact CE-CD1 3.87Å; M578-L674 HydrophobicContact CE-CD2 4.43Å; M578-L674 HydrophobicContact CG-CD1 3.88Å; M578-L674 HydrophobicContact SD-CD1 4.49Å; L581-L674 HydrophobicContact CD1-CB 3.7Å; L581-L674 HydrophobicContact CD1-CD1 3.82Å; L581-L674 HydrophobicContact CD1-CG 4.35Å; W670-L674 HydrophobicContact CH2-CD2 4.13Å; W670-L674 HydrophobicContact CZ2-CD2 4.13Å; W670-L674 WeakPolarHBondContact O-CB 3.5Å; W670-L674 PolarHBondContact O-N 3.33Å; L674-F677 PolarHBondContact O-N 3.2Å; L674-L678 HydrophobicContact CD1-CD1 4.01Å; L674-L678 HydrophobicContact CD1-CG 4.1Å; L674-L678 HydrophobicContact CG-CD1 3.99Å; L674-L678 HydrophobicContact CG-CG 4.42Å; L674-L678 WeakPolarHBondContact O-CB 3.03Å; L674-L678 VanDerWaalsContact O-CG 3.22Å; L674-L678 WeakPolarHBondContact O-CG 3.28Å; L674-L678 PolarHBondContact O-N 3.42Å
675	T	81.2	Confident	79	Confident	78 Å²	78	71.9 Å²	71.9	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-47.3	179.3	-56.6	0	0	0	0	110.7	Q671 A672 D673 F677 L678 T679	Q671-T675 WeakPolarHBondContact O-CB 2.87Å; Q671-T675 PolarHBondContact O-N 2.87Å; Q671-T675 PolarHBondContact O-OG1 3.16Å; A672-T675 PolarHBondContact O-N 3.12Å; D673-T675 VanDerWaalsContact C-N 3.33Å; D673-T675 PolarHBondContact O-N 3.27Å; T675-F677 VanDerWaalsContact C-N 3.33Å; T675-F677 PolarHBondContact O-N 2.99Å; T675-L678 PolarHBondContact O-N 3.06Å; T675-T679 WeakPolarHBondContact O-CG2 3.42Å; T675-T679 PolarHBondContact O-N 3.42Å; T675-T679 VanDerWaalsContact O-N 3.1Å; T675-T679 PolarHBondContact O-OG1 2.94Å
676	A	79.2	Confident	78.2	Confident	50 Å²	50	71.1 Å²	71.1	41%	0.413	38%	0.384	S	S	.	.	H	α-helix	trans	-60.6	-42.7	177.8	0	0	0	0	0	112	A672 D673 T679 K680	A672-A676 PolarHBondContact O-N 3.42Å; D673-A676 PolarHBondContact O-N 3.46Å; A676-T679 WeakPolarHBondContact CA-OG1 3.44Å; A676-T679 PolarHBondContact O-N 3.27Å; A676-T679 PolarHBondContact O-OG1 2.81Å; A676-K680 PolarHBondContact O-N 3.34Å
677	F	74.9	Confident	77.7	Confident	64 Å²	64	69.3 Å²	69.3	28%	0.281	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-46.5	177.7	-177	-95	0	0	0	112	Q577 L581 D673 L674 T675 T679 K680	Q577-F677 HydrophobicContact CB-CE1 3.92Å; Q577-F677 HydrophobicContact CB-CZ 3.87Å; Q577-F677 HydrophobicContact CG-CZ 4.26Å; L581-F677 HydrophobicContact CD2-CB 3.66Å; L581-F677 HydrophobicContact CD2-CD1 4.48Å; L581-F677 HydrophobicContact CD2-CD2 4.36Å; L581-F677 HydrophobicContact CD2-CG 3.92Å; D673-F677 VanDerWaalsContact O-CB 3.26Å; D673-F677 WeakPolarHBondContact O-CB 3.32Å; D673-F677 PolarHBondContact O-N 3.45Å; L674-F677 PolarHBondContact O-N 3.2Å; T675-F677 VanDerWaalsContact C-N 3.33Å; T675-F677 PolarHBondContact O-N 2.99Å; F677-T679 PolarHBondContact O-N 3Å; F677-K680 PolarHBondContact O-N 3.15Å; F677-K680 VanDerWaalsContact O-N 3.13Å
678	L	70.6	Confident	77.1	Confident	49 Å²	49	70.4 Å²	70.4	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-23.7	178.3	-69.8	177.5	0	0	0	112.9	L674 T675 L835	L674-L678 HydrophobicContact CD1-CD1 4.01Å; L674-L678 HydrophobicContact CD1-CG 4.1Å; L674-L678 HydrophobicContact CG-CD1 3.99Å; L674-L678 HydrophobicContact CG-CG 4.42Å; L674-L678 WeakPolarHBondContact O-CB 3.03Å; L674-L678 VanDerWaalsContact O-CG 3.22Å; L674-L678 WeakPolarHBondContact O-CG 3.28Å; L674-L678 PolarHBondContact O-N 3.42Å; T675-L678 PolarHBondContact O-N 3.06Å; L678-L835 HydrophobicContact CB-CD1 3.81Å; L678-L835 HydrophobicContact CD1-CD1 3.88Å; L678-L835 HydrophobicContact CD1-CD2 3.99Å; L678-L835 HydrophobicContact CD2-CD1 3.66Å; L678-L835 HydrophobicContact CD2-CD2 4.21Å; L678-L835 HydrophobicContact CD2-CG 4.21Å; L678-L835 HydrophobicContact CG-CD1 3.95Å
679	T	69.5	Low	76.8	Confident	69 Å²	69	69.2 Å²	69.2	42%	0.423	38%	0.376	S	S	.	.	H	α-helix	trans	-86.1	-16.1	175.7	56.5	0	0	0	0	114.4	T675 A676 F677	T675-T679 WeakPolarHBondContact O-CG2 3.42Å; T675-T679 PolarHBondContact O-N 3.42Å; T675-T679 VanDerWaalsContact O-N 3.1Å; T675-T679 PolarHBondContact O-OG1 2.94Å; A676-T679 WeakPolarHBondContact CA-OG1 3.44Å; A676-T679 PolarHBondContact O-N 3.27Å; A676-T679 PolarHBondContact O-OG1 2.81Å; F677-T679 PolarHBondContact O-N 3Å
680	K	62.9	Low	76.4	Confident	137 Å²	137	64.9 Å²	64.9	60%	0.596	35%	0.353	S	S	*	.			trans	-103.2	108.6	-173.8	-171.6	-179	-178.6	-176.2	0	111.7	A676 F677 N682	A676-K680 PolarHBondContact O-N 3.34Å; F677-K680 PolarHBondContact O-N 3.15Å; F677-K680 VanDerWaalsContact O-N 3.13Å; K680-N682 VanDerWaalsContact CE-OD1 3.22Å; K680-N682 WeakPolarHBondContact CE-OD1 3.38Å; K680-N682 PolarHBondContact O-N 3.42Å
681	N	61.2	Low	76.2	Confident	69 Å²	69	67.3 Å²	67.3	37%	0.369	37%	0.366	S	S	.	.			trans	-76.7	114.3	166.3	-79.4	1.4	0	0	0	110	L683 Q833	N681-L683 PolarHBondContact O-N 2.97Å; N681-Q833 PolarHBondContact ND2-OE1 2.9Å
682	N	58.5	Low	76	Confident	75 Å²	75	65.1 Å²	65.1	40%	0.401	36%	0.358	S	S	.	.			trans	-88.8	94.3	168.5	-69.5	-38.9	0	0	0	108.6	A571 K680 K684	A571-N682 HydrophobicContact CB-CB 4.47Å; A571-N682 WeakPolarHBondContact CB-O 3.37Å; K680-N682 VanDerWaalsContact CE-OD1 3.22Å; K680-N682 WeakPolarHBondContact CE-OD1 3.38Å; K680-N682 PolarHBondContact O-N 3.42Å; N682-K684 PolarHBondContact O-N 2.95Å
683	L	63.4	Low	75.8	Confident	72 Å²	72	62.2 Å²	62.2	38%	0.377	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122	165.6	-64.9	174.4	0	0	0	107.9	P568 N681 M828	P568-L683 HydrophobicContact CB-CB 4.03Å; P568-L683 HydrophobicContact CB-CD1 4.49Å; P568-L683 HydrophobicContact CB-CD2 4.28Å; P568-L683 HydrophobicContact CB-CG 4.5Å; N681-L683 PolarHBondContact O-N 2.97Å; L683-M828 HydrophobicContact CD1-CE 4.25Å; L683-M828 HydrophobicContact CD1-SD 3.43Å; L683-M828 WeakPolarHBondContact CD1-SD 3.23Å
684	K	66.4	Low	75.6	Confident	135 Å²	135	59.5 Å²	59.5	59%	0.587	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.3	172.7	-74.1	-172	179.6	-177.9	0	108.4	S569 N682	S569-K684 PolarHBondContact N-O 3.24Å; S569-K684 PolarHBondContact O-N 3.41Å; S569-K684 PolarHBondContact OG-O 3.06Å; N682-K684 PolarHBondContact O-N 2.95Å
685	L	73.2	Confident	75.6	Confident	63 Å²	63	66.2 Å²	66.2	33%	0.33	35%	0.345	S	S	.	.			trans	-64.8	133.4	169.3	-74.3	167.9	0	0	0	109.8	V566 P568 I687 E774 I776	V566-L685 HydrophobicContact CG2-CD2 3.55Å; P568-L685 HydrophobicContact CG-CD2 4.31Å; L685-I687 WeakPolarHBondContact CB-O 3.41Å; L685-I687 PolarHBondContact O-N 3.45Å; L685-E774 HydrophobicContact CD2-CB 4.03Å; L685-E774 HydrophobicContact CD2-CG 4.05Å; L685-E774 WeakPolarHBondContact CD2-OE2 3.36Å; L685-I776 HydrophobicContact CD1-CG1 4.36Å; L685-I776 HydrophobicContact CD2-CD1 4.23Å; L685-I776 HydrophobicContact CD2-CG1 4.29Å
686	P	75.1	Confident	75.6	Confident	48 Å²	48	64.8 Å²	64.8	31%	0.312	34%	0.335	S	S	.	.	S	Bend	trans	-68.4	-22.4	179.2	26	-33.1	0	0	0	113.3	V566	V566-P686 HydrophobicContact CB-CG 4.4Å
687	I	80.6	Confident	75.6	Confident	7 Å²	7	69 Å²	69	4%	0.036	35%	0.35	C	S	.	.			trans	-143.5	154.1	178.7	47.3	169.3	0	0	0	109.5	I564 V566 L685 D692 L693 I699 V753 I776	I564-I687 HydrophobicContact CG2-CD1 3.93Å; V566-I687 HydrophobicContact CG1-CD1 3.93Å; V566-I687 HydrophobicContact CG1-CG1 4.05Å; L685-I687 WeakPolarHBondContact CB-O 3.41Å; L685-I687 PolarHBondContact O-N 3.45Å; I687-D692 HydrophobicContact CB-CB 4.4Å; I687-D692 HydrophobicContact CG2-CB 4.21Å; I687-L693 HydrophobicContact CD1-CB 4.26Å; I687-L693 HydrophobicContact CD1-CD1 4.28Å; I687-L693 HydrophobicContact CD1-CD2 4.44Å; I687-I699 HydrophobicContact CG2-CD1 3.33Å; I687-V753 HydrophobicContact CD1-CG1 4.28Å; I687-V753 HydrophobicContact CD1-CG2 4.39Å; I687-I776 HydrophobicContact CD1-CD1 4.29Å; I687-I776 HydrophobicContact CG1-CD1 3.78Å; I687-I776 WeakPolarHBondContact O-CD1 3.4Å
688	S	80.7	Confident	76	Confident	86 Å²	86	74 Å²	74	60%	0.601	37%	0.372	S	S	*	.	S	Bend	trans	-114.6	-21.4	176.7	72.3	0	0	0	0	113.7	D692 I776	S688-D692 PolarHBondContact N-OD2 3.35Å; S688-D692 PolarHBondContact OG-OD2 3.06Å; S688-I776 WeakPolarHBondContact O-CG2 3.31Å
689	S	84.7	Confident	76.7	Confident	28 Å²	28	72.2 Å²	72.2	20%	0.196	36%	0.363	C	S	.	.	S	Bend	trans	-146.3	163.3	-178.6	65.6	0	0	0	0	111.6	K691 D692 L693	S689-K691 PolarHBondContact O-N 3.43Å; S689-K691 PolarHBondContact OG-N 3.09Å; S689-D692 PolarHBondContact N-OD2 2.8Å; S689-D692 PolarHBondContact O-N 2.72Å; S689-D692 VanDerWaalsContact O-N 3.15Å; S689-D692 VanDerWaalsContact OG-CG 3.22Å; S689-D692 PolarHBondContact OG-N 3.23Å; S689-D692 PolarHBondContact OG-OD1 3.33Å; S689-D692 PolarHBondContact OG-OD2 3.17Å; S689-L693 PolarHBondContact O-N 3.02Å
690	L	84.2	Confident	77.6	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-28.6	172.3	-171	64.6	0	0	0	112	I564 L693 A694 F713 F721 Y722 I725 I755 E778 I781	I564-L690 HydrophobicContact CD1-CB 4.12Å; I564-L690 HydrophobicContact CD1-CD1 3.86Å; L690-L693 HydrophobicContact CD1-CD2 4.25Å; L690-L693 WeakPolarHBondContact O-CB 3.24Å; L690-L693 PolarHBondContact O-N 2.92Å; L690-A694 PolarHBondContact O-N 2.82Å; L690-F713 HydrophobicContact CD1-CZ 4.39Å; L690-F713 HydrophobicContact CD2-CE1 4.22Å; L690-F721 HydrophobicContact CD2-CE2 4.32Å; L690-Y722 HydrophobicContact CD2-CD1 4.41Å; L690-Y722 HydrophobicContact CD2-CE1 3.89Å; L690-I725 HydrophobicContact CD1-CD1 3.64Å; L690-I725 HydrophobicContact CD2-CD1 4.25Å; L690-I725 HydrophobicContact CG-CD1 3.65Å; L690-I755 HydrophobicContact CD1-CD1 3.83Å; L690-E778 HydrophobicContact CB-CG 4.08Å; L690-E778 WeakPolarHBondContact CB-OE2 3.02Å; L690-E778 HydrophobicContact CD2-CG 4.35Å; L690-E778 PolarHBondContact N-OE2 3.47Å; L690-I781 HydrophobicContact CD2-CD1 3.85Å
691	K	84.6	Confident	78.9	Confident	125 Å²	125	65.3 Å²	65.3	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-40	175.9	-173.9	-179.9	179.2	-176.9	0	111.9	S689 L693 A694 Y695	S689-K691 PolarHBondContact O-N 3.43Å; S689-K691 PolarHBondContact OG-N 3.09Å; K691-L693 VanDerWaalsContact C-N 3.25Å; K691-L693 PolarHBondContact O-N 3.34Å; K691-A694 WeakPolarHBondContact O-CB 3.42Å; K691-A694 PolarHBondContact O-N 3.27Å; K691-Y695 HydrophobicContact CG-CD2 4.34Å; K691-Y695 HydrophobicContact CG-CE2 3.9Å; K691-Y695 WeakPolarHBondContact O-CD2 3.21Å; K691-Y695 PolarHBondContact O-N 2.99Å
692	D	84.6	Confident	80.4	Confident	61 Å²	61	62.1 Å²	62.1	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-36.6	176.8	-59.1	-28	0	0	0	111	I687 S688 S689 A694 Y695 N696	I687-D692 HydrophobicContact CB-CB 4.4Å; I687-D692 HydrophobicContact CG2-CB 4.21Å; S688-D692 PolarHBondContact N-OD2 3.35Å; S688-D692 PolarHBondContact OG-OD2 3.06Å; S689-D692 PolarHBondContact N-OD2 2.8Å; S689-D692 PolarHBondContact O-N 2.72Å; S689-D692 VanDerWaalsContact O-N 3.15Å; S689-D692 VanDerWaalsContact OG-CG 3.22Å; S689-D692 PolarHBondContact OG-N 3.23Å; S689-D692 PolarHBondContact OG-OD1 3.33Å; S689-D692 PolarHBondContact OG-OD2 3.17Å; D692-A694 VanDerWaalsContact C-N 3.31Å; D692-A694 PolarHBondContact O-N 3.11Å; D692-Y695 PolarHBondContact O-N 3.29Å; D692-N696 VanDerWaalsContact O-CB 3.32Å; D692-N696 WeakPolarHBondContact O-CB 3.49Å; D692-N696 PolarHBondContact O-N 3.23Å
693	L	85.4	Confident	81.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-35	176.4	-176.4	59.8	0	0	0	112.6	I687 S689 L690 K691 Y695 I699 V701 K728 V753 I755	I687-L693 HydrophobicContact CD1-CB 4.26Å; I687-L693 HydrophobicContact CD1-CD1 4.28Å; I687-L693 HydrophobicContact CD1-CD2 4.44Å; S689-L693 PolarHBondContact O-N 3.02Å; L690-L693 HydrophobicContact CD1-CD2 4.25Å; L690-L693 WeakPolarHBondContact O-CB 3.24Å; L690-L693 PolarHBondContact O-N 2.92Å; K691-L693 VanDerWaalsContact C-N 3.25Å; K691-L693 PolarHBondContact O-N 3.34Å; L693-Y695 VanDerWaalsContact C-N 3.33Å; L693-Y695 PolarHBondContact O-N 3.18Å; L693-I699 HydrophobicContact CD1-CB 3.71Å; L693-I699 HydrophobicContact CD1-CD1 4.1Å; L693-I699 HydrophobicContact CD1-CG2 3.38Å; L693-V701 HydrophobicContact CD1-CG2 3.99Å; L693-V701 HydrophobicContact CD2-CG1 4.49Å; L693-V701 HydrophobicContact CD2-CG2 3.94Å; L693-V701 HydrophobicContact CG-CG2 4.04Å; L693-K728 PolarHBondContact O-NZ 2.85Å; L693-V753 HydrophobicContact CD2-CG1 4.25Å; L693-I755 HydrophobicContact CD2-CD1 3.63Å; L693-I755 HydrophobicContact CD2-CG1 4.34Å
694	A	83.2	Confident	83.1	Confident	8 Å²	8	56.2 Å²	56.2	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-42.9	174.6	0	0	0	0	0	111.8	L690 K691 D692 F721 S724 I725 K728	L690-A694 PolarHBondContact O-N 2.82Å; K691-A694 WeakPolarHBondContact O-CB 3.42Å; K691-A694 PolarHBondContact O-N 3.27Å; D692-A694 VanDerWaalsContact C-N 3.31Å; D692-A694 PolarHBondContact O-N 3.11Å; A694-F721 HydrophobicContact CB-CB 4.05Å; A694-S724 VanDerWaalsContact CB-OG 3.24Å; A694-S724 WeakPolarHBondContact CB-OG 3.17Å; A694-I725 HydrophobicContact CB-CD1 4.46Å; A694-I725 HydrophobicContact CB-CG1 4.24Å; A694-K728 PolarHBondContact O-NZ 3.04Å
695	Y	82.9	Confident	84	Confident	164 Å²	164	55 Å²	55	64%	0.643	28%	0.275	S	S	*	.	H	α-helix	trans	-85	-22.3	-179.2	-65.2	-72.7	0	0	0	114.5	K691 D692 L693 D697	K691-Y695 HydrophobicContact CG-CD2 4.34Å; K691-Y695 HydrophobicContact CG-CE2 3.9Å; K691-Y695 WeakPolarHBondContact O-CD2 3.21Å; K691-Y695 PolarHBondContact O-N 2.99Å; D692-Y695 PolarHBondContact O-N 3.29Å; L693-Y695 VanDerWaalsContact C-N 3.33Å; L693-Y695 PolarHBondContact O-N 3.18Å; Y695-D697 PolarHBondContact O-N 2.73Å
696	N	81.6	Confident	84.4	Confident	49 Å²	49	52.5 Å²	52.5	26%	0.262	27%	0.265	S	S	.	.			trans	-86.7	104.6	-177.1	-170.8	-11.8	0	0	0	112.2	D692 K698 I699 K728	D692-N696 VanDerWaalsContact O-CB 3.32Å; D692-N696 WeakPolarHBondContact O-CB 3.49Å; D692-N696 PolarHBondContact O-N 3.23Å; N696-K698 VanDerWaalsContact C-N 3.33Å; N696-K698 PolarHBondContact O-N 3.5Å; N696-K698 PolarHBondContact OD1-N 3.5Å; N696-K698 VanDerWaalsContact OD1-N 3.14Å; N696-I699 HydrophobicContact CB-CD1 4.29Å; N696-I699 VanDerWaalsContact ND2-CD1 3.29Å; N696-I699 WeakPolarHBondContact ND2-CD1 3.4Å; N696-K728 PolarHBondContact O-NZ 3.26Å
697	D	79.7	Confident	85	Confident	138 Å²	138	50.4 Å²	50.4	74%	0.738	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	-177.3	-64.9	-30.3	0	0	0	114.8	Y695 I699 K728	Y695-D697 PolarHBondContact O-N 2.73Å; D697-I699 VanDerWaalsContact C-N 3.28Å; D697-I699 PolarHBondContact O-N 2.93Å; D697-K728 WeakPolarHBondContact OD1-CE 3.48Å; D697-K728 IonicContact OD1-NZ 3.96Å; D697-K728 PolarHBondContact OD1-NZ 3.07Å
698	K	82.6	Confident	85.3	Confident	169 Å²	169	50.7 Å²	50.7	74%	0.735	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.1	178.4	-65.3	-177.2	179.5	179.3	0	113	N696	N696-K698 VanDerWaalsContact C-N 3.33Å; N696-K698 PolarHBondContact O-N 3.5Å; N696-K698 PolarHBondContact OD1-N 3.5Å; N696-K698 VanDerWaalsContact OD1-N 3.14Å
699	I	85.9	Confident	85.8	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.062	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-96.5	129.6	-172.4	-61	176.2	0	0	0	110.2	I687 L693 N696 D697 N751 V753	I687-I699 HydrophobicContact CG2-CD1 3.33Å; L693-I699 HydrophobicContact CD1-CB 3.71Å; L693-I699 HydrophobicContact CD1-CD1 4.1Å; L693-I699 HydrophobicContact CD1-CG2 3.38Å; N696-I699 HydrophobicContact CB-CD1 4.29Å; N696-I699 VanDerWaalsContact ND2-CD1 3.29Å; N696-I699 WeakPolarHBondContact ND2-CD1 3.4Å; D697-I699 VanDerWaalsContact C-N 3.28Å; D697-I699 PolarHBondContact O-N 2.93Å; I699-N751 WeakPolarHBondContact CA-O 3.38Å; I699-N751 WeakPolarHBondContact CG2-O 3.4Å; I699-V753 HydrophobicContact CG2-CB 3.74Å; I699-V753 HydrophobicContact CG2-CG2 3.32Å
700	I	88.5	Confident	86	Confident	60 Å²	60	47.3 Å²	47.3	31%	0.308	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.8	177.3	-57	171.5	0	0	0	108.8	N732 N751 Y752 V753	I700-N732 HydrophobicContact CG2-CB 4.28Å; I700-N732 WeakPolarHBondContact CG2-ND2 3.07Å; I700-N751 PolarHBondContact N-O 3.02Å; I700-Y752 HydrophobicContact CB-CD1 3.73Å; I700-Y752 HydrophobicContact CB-CE1 3.85Å; I700-Y752 HydrophobicContact CD1-CD1 4.39Å; I700-Y752 HydrophobicContact CD1-CE1 3.8Å; I700-Y752 HydrophobicContact CG1-CE1 4.44Å; I700-Y752 HydrophobicContact CG2-CD1 3.73Å; I700-Y752 HydrophobicContact CG2-CE1 3.57Å; I700-Y752 WeakPolarHBondContact O-CA 3.34Å; I700-V753 PolarHBondContact O-N 2.87Å
701	V	90	Very high	86.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.3	-178.3	-168.9	0	0	0	0	110.5	L693 I725 K728 L729 N732 V753 I755	L693-V701 HydrophobicContact CD1-CG2 3.99Å; L693-V701 HydrophobicContact CD2-CG1 4.49Å; L693-V701 HydrophobicContact CD2-CG2 3.94Å; L693-V701 HydrophobicContact CG-CG2 4.04Å; V701-I725 HydrophobicContact CG1-CG2 4.33Å; V701-K728 HydrophobicContact CG2-CB 4.23Å; V701-K728 HydrophobicContact CG2-CD 4.37Å; V701-L729 HydrophobicContact CB-CD2 4.06Å; V701-L729 HydrophobicContact CB-CG 4.44Å; V701-L729 HydrophobicContact CG1-CD2 3.76Å; V701-L729 HydrophobicContact CG1-CG 4.21Å; V701-N732 PolarHBondContact O-ND2 3.45Å; V701-N732 VanDerWaalsContact O-ND2 3.09Å; V701-V753 CarbonylContact C-O 3.45Å; V701-I755 HydrophobicContact CG1-CD1 3.4Å; V701-I755 HydrophobicContact CG1-CG1 3.9Å
702	L	91.8	Very high	86.2	Confident	2 Å²	2	45 Å²	45	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.5	174.5	-59.5	171.2	0	0	0	109	N732 V734 V736 L745 Y752 V753 Y754 I755	L702-N732 WeakPolarHBondContact CD2-ND2 3.48Å; L702-V734 HydrophobicContact CD2-CB 4.43Å; L702-V734 HydrophobicContact CD2-CG1 4.34Å; L702-V736 HydrophobicContact CB-CG2 4.24Å; L702-V736 HydrophobicContact CD2-CG2 3.99Å; L702-V736 HydrophobicContact CG-CG2 4.49Å; L702-L745 HydrophobicContact CD1-CB 3.87Å; L702-L745 HydrophobicContact CD1-CD1 3.98Å; L702-L745 HydrophobicContact CD2-CD1 4.48Å; L702-Y752 HydrophobicContact CD1-CD1 3.76Å; L702-Y752 HydrophobicContact CD1-CG 4.12Å; L702-Y752 HydrophobicContact CD2-CD1 4.17Å; L702-Y752 HydrophobicContact CD2-CE1 4.45Å; L702-Y752 HydrophobicContact CG-CD1 4Å; L702-V753 PolarHBondContact N-O 3.18Å; L702-Y754 HydrophobicContact CB-CD2 4.03Å; L702-Y754 WeakPolarHBondContact O-CA 3.33Å; L702-Y754 VanDerWaalsContact O-CD2 3.29Å; L702-Y754 WeakPolarHBondContact O-CD2 3.25Å; L702-I755 PolarHBondContact O-N 2.89Å
703	T	91.5	Very high	86.3	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.055	20%	0.201	C	C	.	.			trans	-148.5	141	169.5	-60.9	0	0	0	0	108	K705 T709 I755	T703-K705 PolarHBondContact O-N 3.23Å; T703-T709 HydrophobicContact CG2-CG2 3.98Å; T703-I755 WeakPolarHBondContact CG2-O 3.3Å; T703-I755 PolarHBondContact OG1-O 3.44Å
704	M	88.8	Confident	86.3	Confident	14 Å²	14	46.5 Å²	46.5	7%	0.069	22%	0.22	C	C	.	.			trans	-67.7	129.9	178.8	-179.4	172.1	72.4	0	0	110.7	Y513 T707 Y710	Y513-M704 HydrophobicContact CD2-CE 3.93Å; Y513-M704 HydrophobicContact CE2-CE 3.97Å; M704-T707 HydrophobicContact CB-CG2 3.77Å; M704-T707 HydrophobicContact CE-CG2 3.21Å; M704-T707 HydrophobicContact CG-CG2 4.02Å; M704-T707 WeakPolarHBondContact O-CG2 3.38Å; M704-T707 PolarHBondContact O-OG1 2.79Å; M704-T707 HydrophobicContact SD-CG2 4.44Å; M704-Y710 WeakPolarHBondContact O-CB 3.4Å
705	K	83.8	Confident	86.1	Confident	109 Å²	109	50.4 Å²	50.4	47%	0.474	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	143.5	178.7	-70	-178.5	179.1	176.4	0	110.6	T703 T707 Y710	T703-K705 PolarHBondContact O-N 3.23Å; K705-T707 VanDerWaalsContact C-N 3.29Å; K705-T707 PolarHBondContact O-N 3.41Å; K705-Y710 HydrophobicContact CG-CE2 4.25Å
706	G	82.8	Confident	85.5	Confident	10 Å²	10	43.8 Å²	43.8	10%	0.103	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-0.1	179.5	0	0	0	0	0	116
707	T	88	Confident	84.5	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.025	24%	0.238	C	C	.	.	S	Bend	trans	-73.8	167.6	171	57	0	0	0	0	112.7	M704 K705 T709 Y710 N711	M704-T707 HydrophobicContact CB-CG2 3.77Å; M704-T707 HydrophobicContact CE-CG2 3.21Å; M704-T707 HydrophobicContact CG-CG2 4.02Å; M704-T707 WeakPolarHBondContact O-CG2 3.38Å; M704-T707 PolarHBondContact O-OG1 2.79Å; M704-T707 HydrophobicContact SD-CG2 4.44Å; K705-T707 VanDerWaalsContact C-N 3.29Å; K705-T707 PolarHBondContact O-N 3.41Å; T707-T709 VanDerWaalsContact C-N 3.32Å; T707-Y710 WeakPolarHBondContact OG1-CB 3.22Å; T707-Y710 PolarHBondContact OG1-N 2.87Å; T707-Y710 VanDerWaalsContact OG1-N 3.12Å; T707-N711 PolarHBondContact O-N 2.82Å; T707-N711 PolarHBondContact O-ND2 3.03Å
708	S	87	Confident	83.7	Confident	14 Å²	14	48 Å²	48	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-42.2	171.7	83.9	0	0	0	0	111	T542 N711 M712 E757	T542-S708 VanDerWaalsContact CB-CB 3.5Å; T542-S708 WeakPolarHBondContact OG1-CB 3.34Å; T542-S708 PolarHBondContact OG1-OG 2.84Å; S708-N711 CarbonylContact O-C 3.45Å; S708-N711 PolarHBondContact O-N 3.5Å; S708-M712 WeakPolarHBondContact O-CB 3.34Å; S708-M712 PolarHBondContact O-N 3.34Å; S708-E757 PolarHBondContact OG-OE1 2.9Å
709	T	89.8	Confident	83.2	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-47	178.2	-51.5	0	0	0	0	112.3	T703 T707 N711 M712 F713 I755	T703-T709 HydrophobicContact CG2-CG2 3.98Å; T707-T709 VanDerWaalsContact C-N 3.32Å; T709-N711 PolarHBondContact O-N 3.46Å; T709-M712 WeakPolarHBondContact O-CB 3.38Å; T709-M712 PolarHBondContact O-N 2.63Å; T709-F713 HydrophobicContact CG2-CD2 4.43Å; T709-F713 HydrophobicContact CG2-CE2 3.73Å; T709-F713 HydrophobicContact CG2-CZ 4.38Å; T709-F713 WeakPolarHBondContact O-CD2 3.29Å; T709-F713 PolarHBondContact O-N 3.46Å; T709-I755 HydrophobicContact CG2-CG2 3.97Å
710	Y	89.5	Confident	82.9	Confident	41 Å²	41	47.4 Å²	47.4	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-44.1	175	-178.6	-94.4	0	0	0	112.1	M704 K705 T707 M712 F713 K714 Y726 L729	M704-Y710 WeakPolarHBondContact O-CB 3.4Å; K705-Y710 HydrophobicContact CG-CE2 4.25Å; T707-Y710 WeakPolarHBondContact OG1-CB 3.22Å; T707-Y710 PolarHBondContact OG1-N 2.87Å; T707-Y710 VanDerWaalsContact OG1-N 3.12Å; Y710-M712 VanDerWaalsContact C-N 3.3Å; Y710-M712 PolarHBondContact O-N 2.99Å; Y710-F713 PolarHBondContact O-N 2.83Å; Y710-K714 HydrophobicContact CE1-CD 4.49Å; Y710-K714 PolarHBondContact O-N 3.29Å; Y710-K714 VanDerWaalsContact O-N 3.12Å; Y710-Y726 HydrophobicContact CE2-CE2 4.41Å; Y710-L729 HydrophobicContact CD2-CD1 4.45Å
711	N	86.1	Confident	82.5	Confident	28 Å²	28	47 Å²	47	15%	0.15	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-31.8	178.3	-78	-46.3	0	0	0	112.8	T707 S708 T709 K714 V715	T707-N711 PolarHBondContact O-N 2.82Å; T707-N711 PolarHBondContact O-ND2 3.03Å; S708-N711 CarbonylContact O-C 3.45Å; S708-N711 PolarHBondContact O-N 3.5Å; T709-N711 PolarHBondContact O-N 3.46Å; N711-K714 PolarHBondContact O-N 3.22Å; N711-V715 WeakPolarHBondContact O-CG2 3.47Å; N711-V715 PolarHBondContact O-N 3.03Å
712	M	86.1	Confident	82.3	Confident	49 Å²	49	48.9 Å²	48.9	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-50.9	176	-166.5	-174	106.7	0	0	110.3	S708 T709 Y710 K714 V715 S716 Y722 I781	S708-M712 WeakPolarHBondContact O-CB 3.34Å; S708-M712 PolarHBondContact O-N 3.34Å; T709-M712 WeakPolarHBondContact O-CB 3.38Å; T709-M712 PolarHBondContact O-N 2.63Å; Y710-M712 VanDerWaalsContact C-N 3.3Å; Y710-M712 PolarHBondContact O-N 2.99Å; M712-K714 VanDerWaalsContact C-N 3.33Å; M712-K714 PolarHBondContact O-N 2.94Å; M712-V715 PolarHBondContact O-N 3.49Å; M712-S716 WeakPolarHBondContact O-CB 3.33Å; M712-S716 PolarHBondContact O-N 3.36Å; M712-S716 PolarHBondContact O-OG 2.95Å; M712-Y722 HydrophobicContact CE-CD1 3.82Å; M712-Y722 HydrophobicContact CE-CE1 3.18Å; M712-I781 HydrophobicContact CE-CD1 3.56Å; M712-I781 HydrophobicContact CE-CG1 4.29Å; M712-I781 HydrophobicContact CE-CG2 4.29Å; M712-I781 HydrophobicContact SD-CG2 3.88Å
713	F	87.4	Confident	82	Confident	2 Å²	2	52 Å²	52	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-34.2	176.4	-60.8	-53.3	0	0	0	112.9	L690 T709 Y710 S716 Y722 I725 Y726 L729 I755	L690-F713 HydrophobicContact CD1-CZ 4.39Å; L690-F713 HydrophobicContact CD2-CE1 4.22Å; T709-F713 HydrophobicContact CG2-CD2 4.43Å; T709-F713 HydrophobicContact CG2-CE2 3.73Å; T709-F713 HydrophobicContact CG2-CZ 4.38Å; T709-F713 WeakPolarHBondContact O-CD2 3.29Å; T709-F713 PolarHBondContact O-N 3.46Å; Y710-F713 PolarHBondContact O-N 2.83Å; F713-S716 PolarHBondContact O-OG 2.91Å; F713-Y722 AromaticContact CD1-CD1 3.77Å; F713-Y722 HydrophobicContact CD1-CD1 3.77Å; F713-Y722 HydrophobicContact CD1-CG 4.48Å; F713-Y722 AromaticContact CE1-CD1 3.72Å; F713-Y722 HydrophobicContact CE1-CD1 3.72Å; F713-Y722 HydrophobicContact CE1-CE1 4.22Å; F713-I725 HydrophobicContact CD1-CB 4.23Å; F713-I725 HydrophobicContact CD1-CG2 3.94Å; F713-I725 HydrophobicContact CD2-CG2 4.28Å; F713-I725 HydrophobicContact CE1-CB 4.37Å; F713-I725 HydrophobicContact CE1-CD1 4.08Å; F713-I725 HydrophobicContact CE1-CG2 3.91Å; F713-I725 HydrophobicContact CE2-CG2 4.23Å; F713-I725 HydrophobicContact CG-CG2 4.15Å; F713-I725 HydrophobicContact CZ-CG2 4.06Å; F713-Y726 HydrophobicContact CB-CD2 4.28Å; F713-Y726 WeakPolarHBondContact O-CB 3.16Å; F713-L729 HydrophobicContact CB-CD1 4.28Å; F713-L729 HydrophobicContact CD2-CD1 3.73Å; F713-L729 HydrophobicContact CE2-CD1 4.47Å; F713-L729 HydrophobicContact CG-CD1 4.28Å; F713-I755 HydrophobicContact CE2-CD1 4.25Å; F713-I755 HydrophobicContact CE2-CG2 4.15Å; F713-I755 HydrophobicContact CZ-CD1 4.08Å; F713-I755 HydrophobicContact CZ-CG2 4.06Å
714	K	84.9	Confident	81.7	Confident	92 Å²	92	53 Å²	53	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-38.9	178.2	-175.2	178.4	-179.8	-179.2	0	113.3	Y710 N711 M712 Y726	Y710-K714 HydrophobicContact CE1-CD 4.49Å; Y710-K714 PolarHBondContact O-N 3.29Å; Y710-K714 VanDerWaalsContact O-N 3.12Å; N711-K714 PolarHBondContact O-N 3.22Å; M712-K714 VanDerWaalsContact C-N 3.33Å; M712-K714 PolarHBondContact O-N 2.94Å; K714-Y726 HydrophobicContact CB-CD2 4.14Å; K714-Y726 HydrophobicContact CB-CE2 3.76Å; K714-Y726 HydrophobicContact CG-CE2 4.02Å
715	V	78.8	Confident	81.6	Confident	89 Å²	89	52.3 Å²	52.3	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-90.8	-24	-171.1	174.3	0	0	0	0	112.9	N711 M712 V717	N711-V715 WeakPolarHBondContact O-CG2 3.47Å; N711-V715 PolarHBondContact O-N 3.03Å; M712-V715 PolarHBondContact O-N 3.49Å; V715-V717 PolarHBondContact O-N 3.15Å
716	S	71.2	Confident	81.8	Confident	25 Å²	25	49.8 Å²	49.8	18%	0.175	27%	0.266	C	S	.	.			trans	-72.9	67.7	-175.8	53.5	0	0	0	0	113.3	M712 F713 Y722	M712-S716 WeakPolarHBondContact O-CB 3.33Å; M712-S716 PolarHBondContact O-N 3.36Å; M712-S716 PolarHBondContact O-OG 2.95Å; F713-S716 PolarHBondContact O-OG 2.91Å; S716-Y722 WeakPolarHBondContact OG-CB 3.49Å
717	V	60.2	Low	82.1	Confident	104 Å²	104	57 Å²	57	63%	0.63	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.4	-179	-177.5	0	0	0	0	112.2	V715 N719	V715-V717 PolarHBondContact O-N 3.15Å; V717-N719 VanDerWaalsContact C-N 3.31Å; V717-N719 PolarHBondContact O-N 3.23Å
718	N	64.3	Low	82	Confident	171 Å²	171	58.4 Å²	58.4	91%	0.914	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.6	-174.6	-74.1	0.9	0	0	0	114.5
719	N	72.1	Confident	82.1	Confident	59 Å²	59	58.7 Å²	58.7	32%	0.316	30%	0.296	S	S	.	.			trans	-119.9	115	-172.9	-162.6	-19.8	0	0	0	110.8	V717 F721 Y722 E723	V717-N719 VanDerWaalsContact C-N 3.31Å; V717-N719 PolarHBondContact O-N 3.23Å; N719-F721 VanDerWaalsContact CG-CD1 3.42Å; N719-F721 WeakPolarHBondContact ND2-CE1 3.38Å; N719-F721 PolarHBondContact O-N 2.93Å; N719-F721 VanDerWaalsContact O-N 3.11Å; N719-F721 WeakPolarHBondContact OD1-CD1 3.15Å; N719-F721 WeakPolarHBondContact OD1-CE1 3.49Å; N719-Y722 HydrophobicContact CB-CD2 3.73Å; N719-Y722 HydrophobicContact CB-CE2 4.38Å; N719-Y722 PolarHBondContact O-N 2.72Å; N719-E723 PolarHBondContact O-N 3.14Å
720	T	78.2	Confident	82	Confident	111 Å²	111	62.9 Å²	62.9	68%	0.681	32%	0.321	S	S	*	.	H	α-helix	trans	-57.9	-30.9	-171.9	56.6	0	0	0	0	112.9	S724	T720-S724 PolarHBondContact O-N 2.83Å
721	F	81.3	Confident	81.8	Confident	52 Å²	52	64.8 Å²	64.8	23%	0.228	35%	0.346	C	S	.	.	H	α-helix	trans	-77.3	-42.4	-178.1	76.2	-104.9	0	0	0	113	L690 A694 N719 E723 S724 I725	L690-F721 HydrophobicContact CD2-CE2 4.32Å; A694-F721 HydrophobicContact CB-CB 4.05Å; N719-F721 VanDerWaalsContact CG-CD1 3.42Å; N719-F721 WeakPolarHBondContact ND2-CE1 3.38Å; N719-F721 PolarHBondContact O-N 2.93Å; N719-F721 VanDerWaalsContact O-N 3.11Å; N719-F721 WeakPolarHBondContact OD1-CD1 3.15Å; N719-F721 WeakPolarHBondContact OD1-CE1 3.49Å; F721-E723 PolarHBondContact O-N 2.79Å; F721-S724 PolarHBondContact O-N 2.86Å; F721-S724 PolarHBondContact O-OG 3.09Å; F721-I725 HydrophobicContact CD2-CD1 4.44Å; F721-I725 WeakPolarHBondContact O-CG1 3.37Å; F721-I725 PolarHBondContact O-N 3.06Å
722	Y	84.6	Confident	81.7	Confident	39 Å²	39	64.7 Å²	64.7	15%	0.153	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-38	178.7	-65.8	-57.8	0	0	0	112.3	L690 M712 F713 S716 N719 S724 I725 Y726 I781	L690-Y722 HydrophobicContact CD2-CD1 4.41Å; L690-Y722 HydrophobicContact CD2-CE1 3.89Å; M712-Y722 HydrophobicContact CE-CD1 3.82Å; M712-Y722 HydrophobicContact CE-CE1 3.18Å; F713-Y722 AromaticContact CD1-CD1 3.77Å; F713-Y722 HydrophobicContact CD1-CD1 3.77Å; F713-Y722 HydrophobicContact CD1-CG 4.48Å; F713-Y722 AromaticContact CE1-CD1 3.72Å; F713-Y722 HydrophobicContact CE1-CD1 3.72Å; F713-Y722 HydrophobicContact CE1-CE1 4.22Å; S716-Y722 WeakPolarHBondContact OG-CB 3.49Å; N719-Y722 HydrophobicContact CB-CD2 3.73Å; N719-Y722 HydrophobicContact CB-CE2 4.38Å; N719-Y722 PolarHBondContact O-N 2.72Å; Y722-S724 VanDerWaalsContact C-N 3.29Å; Y722-S724 PolarHBondContact O-N 3.19Å; Y722-I725 PolarHBondContact O-N 3.3Å; Y722-Y726 PolarHBondContact O-N 3.36Å; Y722-I781 HydrophobicContact CE1-CD1 3.99Å; Y722-I781 WeakPolarHBondContact OH-CD1 3.48Å; Y722-I781 WeakPolarHBondContact OH-CG1 3.27Å
723	E	84.9	Confident	81.4	Confident	67 Å²	67	68.2 Å²	68.2	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.4	-168.3	-167.4	158.8	0	0	111.1	N719 F721 I725 Y726 R727	N719-E723 PolarHBondContact O-N 3.14Å; F721-E723 PolarHBondContact O-N 2.79Å; E723-I725 VanDerWaalsContact C-N 3.32Å; E723-I725 PolarHBondContact O-N 2.57Å; E723-Y726 PolarHBondContact O-N 3.04Å; E723-R727 WeakPolarHBondContact O-CG 3.47Å; E723-R727 PolarHBondContact O-N 3.49Å; E723-R727 IonicContact OE1-CZ 2.77Å; E723-R727 IonicContact OE1-NE 3.79Å; E723-R727 PolarHBondContact OE1-NE 2.8Å; E723-R727 IonicContact OE1-NH2 3.95Å; E723-R727 PolarHBondContact OE1-NH2 3.5Å
724	S	85.5	Confident	81.3	Confident	31 Å²	31	70.7 Å²	70.7	22%	0.217	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-38.3	177.4	76.8	0	0	0	0	112.5	A694 T720 F721 Y722 R727 K728	A694-S724 VanDerWaalsContact CB-OG 3.24Å; A694-S724 WeakPolarHBondContact CB-OG 3.17Å; T720-S724 PolarHBondContact O-N 2.83Å; F721-S724 PolarHBondContact O-N 2.86Å; F721-S724 PolarHBondContact O-OG 3.09Å; Y722-S724 VanDerWaalsContact C-N 3.29Å; Y722-S724 PolarHBondContact O-N 3.19Å; S724-R727 PolarHBondContact O-N 3.37Å; S724-K728 WeakPolarHBondContact O-CG 3.31Å; S724-K728 PolarHBondContact O-N 2.48Å; S724-K728 VanDerWaalsContact O-N 3.1Å
725	I	87.7	Confident	81.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-41.9	175.5	-64.8	164.3	0	0	0	110.1	L690 A694 V701 F713 F721 Y722 E723 R727 K728 L729 I755	L690-I725 HydrophobicContact CD1-CD1 3.64Å; L690-I725 HydrophobicContact CD2-CD1 4.25Å; L690-I725 HydrophobicContact CG-CD1 3.65Å; A694-I725 HydrophobicContact CB-CD1 4.46Å; A694-I725 HydrophobicContact CB-CG1 4.24Å; V701-I725 HydrophobicContact CG1-CG2 4.33Å; F713-I725 HydrophobicContact CD1-CB 4.23Å; F713-I725 HydrophobicContact CD1-CG2 3.94Å; F713-I725 HydrophobicContact CD2-CG2 4.28Å; F713-I725 HydrophobicContact CE1-CB 4.37Å; F713-I725 HydrophobicContact CE1-CD1 4.08Å; F713-I725 HydrophobicContact CE1-CG2 3.91Å; F713-I725 HydrophobicContact CE2-CG2 4.23Å; F713-I725 HydrophobicContact CG-CG2 4.15Å; F713-I725 HydrophobicContact CZ-CG2 4.06Å; F721-I725 HydrophobicContact CD2-CD1 4.44Å; F721-I725 WeakPolarHBondContact O-CG1 3.37Å; F721-I725 PolarHBondContact O-N 3.06Å; Y722-I725 PolarHBondContact O-N 3.3Å; E723-I725 VanDerWaalsContact C-N 3.32Å; E723-I725 PolarHBondContact O-N 2.57Å; I725-R727 VanDerWaalsContact C-N 3.33Å; I725-R727 PolarHBondContact O-N 3.49Å; I725-K728 WeakPolarHBondContact O-CB 2.93Å; I725-K728 PolarHBondContact O-N 3.23Å; I725-K728 VanDerWaalsContact O-N 3.14Å; I725-L729 HydrophobicContact CG2-CD1 4.41Å; I725-L729 PolarHBondContact O-N 3.38Å; I725-I755 HydrophobicContact CG2-CD1 4.36Å
726	Y	88.4	Confident	81.5	Confident	55 Å²	55	64.2 Å²	64.2	22%	0.216	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-41	175.3	-175.5	-113.9	0	0	0	112.3	Y710 F713 K714 Y722 E723 K728 L729 V730	Y710-Y726 HydrophobicContact CE2-CE2 4.41Å; F713-Y726 HydrophobicContact CB-CD2 4.28Å; F713-Y726 WeakPolarHBondContact O-CB 3.16Å; K714-Y726 HydrophobicContact CB-CD2 4.14Å; K714-Y726 HydrophobicContact CB-CE2 3.76Å; K714-Y726 HydrophobicContact CG-CE2 4.02Å; Y722-Y726 PolarHBondContact O-N 3.36Å; E723-Y726 PolarHBondContact O-N 3.04Å; Y726-K728 VanDerWaalsContact C-N 3.31Å; Y726-K728 PolarHBondContact O-N 2.93Å; Y726-L729 WeakPolarHBondContact O-CB 3.32Å; Y726-L729 PolarHBondContact O-N 3.08Å; Y726-V730 HydrophobicContact CD1-CG2 4.26Å; Y726-V730 HydrophobicContact CD2-CG2 4.37Å; Y726-V730 HydrophobicContact CE1-CG2 3.79Å; Y726-V730 HydrophobicContact CE2-CG2 3.9Å; Y726-V730 WeakPolarHBondContact O-CG2 3.24Å; Y726-V730 PolarHBondContact O-N 2.93Å
727	R	87.6	Confident	82	Confident	162 Å²	162	70.6 Å²	70.6	61%	0.611	38%	0.378	S	S	*	.	H	α-helix	trans	-60	-40.5	173.6	-70.3	178.3	-174.9	-162.5	2.6	111.8	E723 S724 I725 V730 A731	E723-R727 WeakPolarHBondContact O-CG 3.47Å; E723-R727 PolarHBondContact O-N 3.49Å; E723-R727 IonicContact OE1-CZ 2.77Å; E723-R727 IonicContact OE1-NE 3.79Å; E723-R727 PolarHBondContact OE1-NE 2.8Å; E723-R727 IonicContact OE1-NH2 3.95Å; E723-R727 PolarHBondContact OE1-NH2 3.5Å; S724-R727 PolarHBondContact O-N 3.37Å; I725-R727 VanDerWaalsContact C-N 3.33Å; I725-R727 PolarHBondContact O-N 3.49Å; R727-V730 PolarHBondContact O-N 2.85Å; R727-A731 VanDerWaalsContact O-CB 3.26Å; R727-A731 WeakPolarHBondContact O-CB 3.38Å; R727-A731 PolarHBondContact O-N 2.9Å
728	K	87.5	Confident	83.2	Confident	34 Å²	34	68.4 Å²	68.4	15%	0.148	37%	0.368	C	S	.	.	H	α-helix	trans	-63.8	-40.4	174.2	-69.9	-179.2	-177.7	-175.7	0	112.2	L693 A694 N696 D697 V701 S724 I725 Y726 A731 N732	L693-K728 PolarHBondContact O-NZ 2.85Å; A694-K728 PolarHBondContact O-NZ 3.04Å; N696-K728 PolarHBondContact O-NZ 3.26Å; D697-K728 WeakPolarHBondContact OD1-CE 3.48Å; D697-K728 IonicContact OD1-NZ 3.96Å; D697-K728 PolarHBondContact OD1-NZ 3.07Å; V701-K728 HydrophobicContact CG2-CB 4.23Å; V701-K728 HydrophobicContact CG2-CD 4.37Å; S724-K728 WeakPolarHBondContact O-CG 3.31Å; S724-K728 PolarHBondContact O-N 2.48Å; S724-K728 VanDerWaalsContact O-N 3.1Å; I725-K728 WeakPolarHBondContact O-CB 2.93Å; I725-K728 PolarHBondContact O-N 3.23Å; I725-K728 VanDerWaalsContact O-N 3.14Å; Y726-K728 VanDerWaalsContact C-N 3.31Å; Y726-K728 PolarHBondContact O-N 2.93Å; K728-A731 PolarHBondContact O-N 3.5Å; K728-N732 WeakPolarHBondContact O-CB 3.2Å; K728-N732 PolarHBondContact O-N 3.46Å; K728-N732 VanDerWaalsContact O-N 3.17Å
729	L	88.3	Confident	84.2	Confident	20 Å²	20	60.8 Å²	60.8	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-41.2	175.4	-73.9	170.6	0	0	0	112.4	V701 Y710 F713 I725 Y726	V701-L729 HydrophobicContact CB-CD2 4.06Å; V701-L729 HydrophobicContact CB-CG 4.44Å; V701-L729 HydrophobicContact CG1-CD2 3.76Å; V701-L729 HydrophobicContact CG1-CG 4.21Å; Y710-L729 HydrophobicContact CD2-CD1 4.45Å; F713-L729 HydrophobicContact CB-CD1 4.28Å; F713-L729 HydrophobicContact CD2-CD1 3.73Å; F713-L729 HydrophobicContact CE2-CD1 4.47Å; F713-L729 HydrophobicContact CG-CD1 4.28Å; I725-L729 HydrophobicContact CG2-CD1 4.41Å; I725-L729 PolarHBondContact O-N 3.38Å; Y726-L729 WeakPolarHBondContact O-CB 3.32Å; Y726-L729 PolarHBondContact O-N 3.08Å
730	V	86.9	Confident	84.8	Confident	89 Å²	89	59.7 Å²	59.7	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-73.8	-35.8	178.9	174.7	0	0	0	0	111.9	Y726 R727 N732	Y726-V730 HydrophobicContact CD1-CG2 4.26Å; Y726-V730 HydrophobicContact CD2-CG2 4.37Å; Y726-V730 HydrophobicContact CE1-CG2 3.79Å; Y726-V730 HydrophobicContact CE2-CG2 3.9Å; Y726-V730 WeakPolarHBondContact O-CG2 3.24Å; Y726-V730 PolarHBondContact O-N 2.93Å; R727-V730 PolarHBondContact O-N 2.85Å; V730-N732 PolarHBondContact O-N 3.4Å
731	A	85.8	Confident	85.3	Confident	82 Å²	82	58.9 Å²	58.9	68%	0.678	32%	0.319	S	S	*	.	H	α-helix	trans	-69.2	-22.5	176.7	0	0	0	0	0	113	R727 K728 P733	R727-A731 VanDerWaalsContact O-CB 3.26Å; R727-A731 WeakPolarHBondContact O-CB 3.38Å; R727-A731 PolarHBondContact O-N 2.9Å; K728-A731 PolarHBondContact O-N 3.5Å; A731-P733 WeakPolarHBondContact O-CD 3.23Å
732	N	84.4	Confident	85.7	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.134	31%	0.308	C	S	.	.			trans	-78.6	120.3	179.1	-176	6.9	0	0	0	111.2	I700 V701 L702 K728 V730 V734	I700-N732 HydrophobicContact CG2-CB 4.28Å; I700-N732 WeakPolarHBondContact CG2-ND2 3.07Å; V701-N732 PolarHBondContact O-ND2 3.45Å; V701-N732 VanDerWaalsContact O-ND2 3.09Å; L702-N732 WeakPolarHBondContact CD2-ND2 3.48Å; K728-N732 WeakPolarHBondContact O-CB 3.2Å; K728-N732 PolarHBondContact O-N 3.46Å; K728-N732 VanDerWaalsContact O-N 3.17Å; V730-N732 PolarHBondContact O-N 3.4Å; N732-V734 PolarHBondContact O-N 3.21Å; N732-V734 PolarHBondContact OD1-N 2.89Å
733	P	80.2	Confident	85.9	Confident	124 Å²	124	55.1 Å²	55.1	81%	0.805	30%	0.304	S	S	*	.			trans	-72.6	-14	178	29.8	-35.5	0	0	0	113.6	A731 S735	A731-P733 WeakPolarHBondContact O-CD 3.23Å; P733-S735 PolarHBondContact O-N 3.04Å
734	V	84.4	Confident	86.1	Confident	54 Å²	54	59.2 Å²	59.2	33%	0.327	32%	0.321	S	S	.	.			trans	-87.3	108.1	-176.2	-174.8	0	0	0	0	110.4	L702 N732 L745	L702-V734 HydrophobicContact CD2-CB 4.43Å; L702-V734 HydrophobicContact CD2-CG1 4.34Å; N732-V734 PolarHBondContact O-N 3.21Å; N732-V734 PolarHBondContact OD1-N 2.89Å; V734-L745 HydrophobicContact CG1-CD1 3.78Å
735	S	82.3	Confident	86.2	Confident	41 Å²	41	59.9 Å²	59.9	29%	0.287	32%	0.322	S	S	.	.			trans	-94.6	133.7	171.5	58.1	0	0	0	0	111.6	P733 Y737	P733-S735 PolarHBondContact O-N 3.04Å; S735-Y737 PolarHBondContact OG-OH 2.68Å
736	V	85.2	Confident	86.3	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	32%	0.322	C	S	.	.			trans	-104.4	132.9	177.3	-173.3	0	0	0	0	110	L702 S738 E741 A742 L745	L702-V736 HydrophobicContact CB-CG2 4.24Å; L702-V736 HydrophobicContact CD2-CG2 3.99Å; L702-V736 HydrophobicContact CG-CG2 4.49Å; V736-S738 WeakPolarHBondContact CG1-O 3.24Å; V736-E741 HydrophobicContact CG1-CB 3.94Å; V736-A742 HydrophobicContact CB-CB 4.41Å; V736-A742 HydrophobicContact CG1-CB 3.58Å; V736-A742 HydrophobicContact CG2-CB 4.2Å; V736-L745 HydrophobicContact CG2-CD1 4.19Å
737	Y	82.8	Confident	86.3	Confident	159 Å²	159	60 Å²	60	62%	0.624	33%	0.328	S	S	*	.	S	Bend	trans	-106	-17.3	178.4	-59.5	-77.8	0	0	0	114.1	S735 E741	S735-Y737 PolarHBondContact OG-OH 2.68Å; Y737-E741 PolarHBondContact N-OE2 3.38Å
738	S	84.2	Confident	86.2	Confident	59 Å²	59	60.4 Å²	60.4	41%	0.413	33%	0.334	S	S	.	.	S	Bend	trans	-139.1	145.9	176.9	175.7	0	0	0	0	111.4	V736 G740 E741 A742	V736-S738 WeakPolarHBondContact CG1-O 3.24Å; S738-G740 PolarHBondContact O-N 2.83Å; S738-G740 PolarHBondContact OG-N 3.44Å; S738-E741 WeakPolarHBondContact O-CB 3.26Å; S738-E741 PolarHBondContact O-N 3.48Å; S738-A742 PolarHBondContact O-N 2.79Å
739	T	85.4	Confident	86	Confident	10 Å²	10	60.6 Å²	60.6	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-48	-43.2	171.1	-52.7	0	0	0	0	111.4	E741 A742 V743 Y754 V764	T739-E741 VanDerWaalsContact C-N 3.32Å; T739-E741 PolarHBondContact O-N 2.95Å; T739-A742 PolarHBondContact O-N 3.01Å; T739-V743 HydrophobicContact CG2-CG2 4.43Å; T739-V743 VanDerWaalsContact O-CG2 3.24Å; T739-V743 WeakPolarHBondContact O-CG2 3.47Å; T739-V743 PolarHBondContact O-N 3.25Å; T739-Y754 HydrophobicContact CG2-CE1 4Å; T739-V764 HydrophobicContact CG2-CG2 3.99Å
740	G	85.9	Confident	85.6	Confident	37 Å²	37	63.6 Å²	63.6	38%	0.381	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-31.3	179.7	0	0	0	0	0	114.6	S738 K744	S738-G740 PolarHBondContact O-N 2.83Å; S738-G740 PolarHBondContact OG-N 3.44Å; G740-K744 WeakPolarHBondContact O-CG 2.92Å; G740-K744 PolarHBondContact O-N 3.37Å
741	E	88	Confident	85.6	Confident	94 Å²	94	63.8 Å²	63.8	44%	0.439	35%	0.354	S	S	.	.	H	α-helix	trans	-72.1	-40.7	174.7	-67.4	-179.9	160.2	0	0	111.5	V736 Y737 S738 T739 V743 K744 L745	V736-E741 HydrophobicContact CG1-CB 3.94Å; Y737-E741 PolarHBondContact N-OE2 3.38Å; S738-E741 WeakPolarHBondContact O-CB 3.26Å; S738-E741 PolarHBondContact O-N 3.48Å; T739-E741 VanDerWaalsContact C-N 3.32Å; T739-E741 PolarHBondContact O-N 2.95Å; E741-V743 VanDerWaalsContact C-N 3.35Å; E741-K744 PolarHBondContact O-N 2.89Å; E741-L745 WeakPolarHBondContact O-CG 3.4Å; E741-L745 PolarHBondContact O-N 2.88Å
742	A	88.9	Confident	85.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-44.2	177.5	0	0	0	0	0	111.2	V736 S738 T739 K744 L745 V746 Y754	V736-A742 HydrophobicContact CB-CB 4.41Å; V736-A742 HydrophobicContact CG1-CB 3.58Å; V736-A742 HydrophobicContact CG2-CB 4.2Å; S738-A742 PolarHBondContact O-N 2.79Å; T739-A742 PolarHBondContact O-N 3.01Å; A742-K744 VanDerWaalsContact C-N 3.34Å; A742-K744 PolarHBondContact O-N 2.83Å; A742-L745 WeakPolarHBondContact O-CB 3.47Å; A742-L745 PolarHBondContact O-N 2.83Å; A742-L745 VanDerWaalsContact O-N 3.1Å; A742-V746 WeakPolarHBondContact O-CG2 3.31Å; A742-V746 PolarHBondContact O-N 3.13Å; A742-Y754 HydrophobicContact CB-CD1 3.9Å; A742-Y754 HydrophobicContact CB-CD2 3.32Å; A742-Y754 HydrophobicContact CB-CE1 4.08Å; A742-Y754 HydrophobicContact CB-CE2 3.52Å; A742-Y754 HydrophobicContact CB-CG 3.52Å
743	V	89.3	Confident	86.1	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-46.1	178.7	173.8	0	0	0	0	110.9	L565 T739 E741 L745 V746 V747 V764 C770 L773	L565-V743 HydrophobicContact CD2-CG2 3.86Å; T739-V743 HydrophobicContact CG2-CG2 4.43Å; T739-V743 VanDerWaalsContact O-CG2 3.24Å; T739-V743 WeakPolarHBondContact O-CG2 3.47Å; T739-V743 PolarHBondContact O-N 3.25Å; E741-V743 VanDerWaalsContact C-N 3.35Å; V743-L745 PolarHBondContact O-N 3.07Å; V743-V746 PolarHBondContact O-N 3.27Å; V743-V746 VanDerWaalsContact O-N 3.16Å; V743-V747 HydrophobicContact CG1-CG2 4.3Å; V743-V747 WeakPolarHBondContact O-CG2 3.42Å; V743-V747 PolarHBondContact O-N 3.32Å; V743-V764 HydrophobicContact CB-CG1 4.18Å; V743-V764 HydrophobicContact CG1-CG1 3.55Å; V743-V764 HydrophobicContact CG2-CB 4.2Å; V743-V764 HydrophobicContact CG2-CG1 3.48Å; V743-V764 VanDerWaalsContact CG2-CG1 3.48Å; V743-V764 HydrophobicContact CG2-CG2 3.68Å; V743-C770 WeakPolarHBondContact CG1-SG 3.43Å; V743-L773 HydrophobicContact CG1-CD1 4.22Å
744	K	88.7	Confident	86.7	Confident	153 Å²	153	55 Å²	55	67%	0.665	29%	0.286	S	S	*	.	H	α-helix	trans	-58.7	-35.1	176.8	-72.8	173.8	-176.8	179.5	0	112.8	G740 E741 A742 K748	G740-K744 WeakPolarHBondContact O-CG 2.92Å; G740-K744 PolarHBondContact O-N 3.37Å; E741-K744 PolarHBondContact O-N 2.89Å; A742-K744 VanDerWaalsContact C-N 3.34Å; A742-K744 PolarHBondContact O-N 2.83Å; K744-K748 VanDerWaalsContact O-CB 3.3Å; K744-K748 WeakPolarHBondContact O-CB 3.31Å; K744-K748 PolarHBondContact O-N 2.88Å; K744-K748 VanDerWaalsContact O-N 3.16Å
745	L	89	Confident	87.1	Confident	46 Å²	46	52.4 Å²	52.4	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-41.7	176.7	-68.6	169.6	0	0	0	112.3	L702 V734 V736 E741 A742 V743 K748 S749	L702-L745 HydrophobicContact CD1-CB 3.87Å; L702-L745 HydrophobicContact CD1-CD1 3.98Å; L702-L745 HydrophobicContact CD2-CD1 4.48Å; V734-L745 HydrophobicContact CG1-CD1 3.78Å; V736-L745 HydrophobicContact CG2-CD1 4.19Å; E741-L745 WeakPolarHBondContact O-CG 3.4Å; E741-L745 PolarHBondContact O-N 2.88Å; A742-L745 WeakPolarHBondContact O-CB 3.47Å; A742-L745 PolarHBondContact O-N 2.83Å; A742-L745 VanDerWaalsContact O-N 3.1Å; V743-L745 PolarHBondContact O-N 3.07Å; L745-K748 PolarHBondContact O-N 3.11Å; L745-S749 PolarHBondContact O-N 3.31Å
746	V	89.2	Confident	87.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-41	176.6	178.1	0	0	0	0	111.4	L565 A742 V743 K748 L773	L565-V746 HydrophobicContact CD2-CG1 4.5Å; L565-V746 HydrophobicContact CG-CG1 4.35Å; A742-V746 WeakPolarHBondContact O-CG2 3.31Å; A742-V746 PolarHBondContact O-N 3.13Å; V743-V746 PolarHBondContact O-N 3.27Å; V743-V746 VanDerWaalsContact O-N 3.16Å; V746-K748 VanDerWaalsContact C-N 3.3Å; V746-K748 PolarHBondContact O-N 2.89Å; V746-L773 HydrophobicContact CG1-CD2 3.9Å
747	V	87.4	Confident	87.9	Confident	58 Å²	58	50.8 Å²	50.8	35%	0.352	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175	172.9	0	0	0	0	111.1	K567 V743 L773	K567-V747 PolarHBondContact NZ-O 2.71Å; V743-V747 HydrophobicContact CG1-CG2 4.3Å; V743-V747 WeakPolarHBondContact O-CG2 3.42Å; V743-V747 PolarHBondContact O-N 3.32Å; V747-L773 HydrophobicContact CG2-CD1 3.8Å; V747-L773 HydrophobicContact CG2-CD2 4.22Å; V747-L773 HydrophobicContact CG2-CG 4.27Å
748	K	86.3	Confident	88.3	Confident	169 Å²	169	45.7 Å²	45.7	74%	0.735	24%	0.238	S	C	*	.	H	α-helix	trans	-69.3	-37.2	-175.2	-173.6	177.2	-179.8	-179.1	0	113.5	K744 L745 V746	K744-K748 VanDerWaalsContact O-CB 3.3Å; K744-K748 WeakPolarHBondContact O-CB 3.31Å; K744-K748 PolarHBondContact O-N 2.88Å; K744-K748 VanDerWaalsContact O-N 3.16Å; L745-K748 PolarHBondContact O-N 3.11Å; V746-K748 VanDerWaalsContact C-N 3.3Å; V746-K748 PolarHBondContact O-N 2.89Å
749	S	83.4	Confident	88.6	Confident	39 Å²	39	43 Å²	43	27%	0.273	22%	0.219	S	C	.	.			trans	-140.7	136.3	-177.5	-23	0	0	0	0	112.7	L745 N751 Y752	L745-S749 PolarHBondContact O-N 3.31Å; S749-N751 PolarHBondContact O-N 3.28Å; S749-N751 VanDerWaalsContact O-N 3.15Å; S749-Y752 PolarHBondContact O-N 2.79Å; S749-Y752 WeakPolarHBondContact OG-CE2 3.46Å
750	D	80.7	Confident	88.8	Confident	83 Å²	83	42.7 Å²	42.7	44%	0.444	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.6	-174.5	-50.3	-15	0	0	0	113.7	K567	K567-D750 WeakPolarHBondContact CD-OD1 3.45Å; K567-D750 WeakPolarHBondContact CE-OD1 3.37Å; K567-D750 IonicContact NZ-OD1 3.09Å; K567-D750 PolarHBondContact NZ-OD1 3.26Å
751	N	87	Confident	88.9	Confident	93 Å²	93	41 Å²	41	50%	0.497	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.1	179.5	-63.8	-13.2	0	0	0	113.5	I699 I700 S749	I699-N751 WeakPolarHBondContact CA-O 3.38Å; I699-N751 WeakPolarHBondContact CG2-O 3.4Å; I700-N751 PolarHBondContact N-O 3.02Å; S749-N751 PolarHBondContact O-N 3.28Å; S749-N751 VanDerWaalsContact O-N 3.15Å
752	Y	89.7	Confident	88.8	Confident	44 Å²	44	37.2 Å²	37.2	17%	0.173	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.6	178.7	-73.2	-71.1	0	0	0	110.4	I700 L702 S749	I700-Y752 HydrophobicContact CB-CD1 3.73Å; I700-Y752 HydrophobicContact CB-CE1 3.85Å; I700-Y752 HydrophobicContact CD1-CD1 4.39Å; I700-Y752 HydrophobicContact CD1-CE1 3.8Å; I700-Y752 HydrophobicContact CG1-CE1 4.44Å; I700-Y752 HydrophobicContact CG2-CD1 3.73Å; I700-Y752 HydrophobicContact CG2-CE1 3.57Å; I700-Y752 WeakPolarHBondContact O-CA 3.34Å; L702-Y752 HydrophobicContact CD1-CD1 3.76Å; L702-Y752 HydrophobicContact CD1-CG 4.12Å; L702-Y752 HydrophobicContact CD2-CD1 4.17Å; L702-Y752 HydrophobicContact CD2-CE1 4.45Å; L702-Y752 HydrophobicContact CG-CD1 4Å; S749-Y752 PolarHBondContact O-N 2.79Å; S749-Y752 WeakPolarHBondContact OG-CE2 3.46Å
753	V	91	Very high	88.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.7	176.6	168.9	0	0	0	0	108.8	I564 V566 I687 L693 I699 I700 V701 L702 I755	I564-V753 HydrophobicContact CG2-CG1 3.08Å; V566-V753 HydrophobicContact CG1-CG1 4.07Å; V566-V753 HydrophobicContact CG1-CG2 3.84Å; I687-V753 HydrophobicContact CD1-CG1 4.28Å; I687-V753 HydrophobicContact CD1-CG2 4.39Å; L693-V753 HydrophobicContact CD2-CG1 4.25Å; I699-V753 HydrophobicContact CG2-CB 3.74Å; I699-V753 HydrophobicContact CG2-CG2 3.32Å; I700-V753 PolarHBondContact O-N 2.87Å; V701-V753 CarbonylContact C-O 3.45Å; L702-V753 PolarHBondContact N-O 3.18Å; V753-I755 HydrophobicContact CG1-CG1 4.4Å
754	Y	92.6	Very high	88.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.6	-179.8	175.7	-120	0	0	0	111	L565 L702 T739 A742 T756 L761	L565-Y754 HydrophobicContact CB-CD1 4.5Å; L565-Y754 HydrophobicContact CD2-CD1 4.42Å; L565-Y754 PolarHBondContact N-O 2.91Å; L565-Y754 PolarHBondContact O-N 2.96Å; L565-Y754 VanDerWaalsContact O-N 3.13Å; L702-Y754 HydrophobicContact CB-CD2 4.03Å; L702-Y754 WeakPolarHBondContact O-CA 3.33Å; L702-Y754 VanDerWaalsContact O-CD2 3.29Å; L702-Y754 WeakPolarHBondContact O-CD2 3.25Å; T739-Y754 HydrophobicContact CG2-CE1 4Å; A742-Y754 HydrophobicContact CB-CD1 3.9Å; A742-Y754 HydrophobicContact CB-CD2 3.32Å; A742-Y754 HydrophobicContact CB-CE1 4.08Å; A742-Y754 HydrophobicContact CB-CE2 3.52Å; A742-Y754 HydrophobicContact CB-CG 3.52Å; Y754-T756 HydrophobicContact CD1-CG2 4.17Å; Y754-T756 HydrophobicContact CE1-CG2 3.42Å; Y754-T756 VanDerWaalsContact CE1-CG2 3.42Å; Y754-L761 HydrophobicContact CD1-CD2 3.64Å; Y754-L761 HydrophobicContact CE1-CD2 3.8Å
755	I	92.5	Very high	87.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.5	-179.3	-49	176.7	0	0	0	109.1	V562 I564 L690 L693 V701 L702 T703 T709 F713 I725 V753	V562-I755 HydrophobicContact CG1-CG2 3.43Å; V562-I755 VanDerWaalsContact CG1-CG2 3.43Å; I564-I755 HydrophobicContact CG1-CG1 4.4Å; I564-I755 HydrophobicContact CG1-CG2 4.48Å; I564-I755 HydrophobicContact CG2-CG1 4.36Å; L690-I755 HydrophobicContact CD1-CD1 3.83Å; L693-I755 HydrophobicContact CD2-CD1 3.63Å; L693-I755 HydrophobicContact CD2-CG1 4.34Å; V701-I755 HydrophobicContact CG1-CD1 3.4Å; V701-I755 HydrophobicContact CG1-CG1 3.9Å; L702-I755 PolarHBondContact O-N 2.89Å; T703-I755 WeakPolarHBondContact CG2-O 3.3Å; T703-I755 PolarHBondContact OG1-O 3.44Å; T709-I755 HydrophobicContact CG2-CG2 3.97Å; F713-I755 HydrophobicContact CE2-CD1 4.25Å; F713-I755 HydrophobicContact CE2-CG2 4.15Å; F713-I755 HydrophobicContact CZ-CD1 4.08Å; F713-I755 HydrophobicContact CZ-CG2 4.06Å; I725-I755 HydrophobicContact CG2-CD1 4.36Å; V753-I755 HydrophobicContact CG1-CG1 4.4Å
756	T	92.2	Very high	86.9	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	-177.2	174.4	-159.5	0	0	0	0	109.8	G563 Y754 F760 L761	G563-T756 PolarHBondContact N-O 2.8Å; G563-T756 PolarHBondContact O-N 3.07Å; G563-T756 VanDerWaalsContact O-N 3.17Å; Y754-T756 HydrophobicContact CD1-CG2 4.17Å; Y754-T756 HydrophobicContact CE1-CG2 3.42Å; Y754-T756 VanDerWaalsContact CE1-CG2 3.42Å; T756-F760 HydrophobicContact CG2-CB 4.14Å; T756-L761 HydrophobicContact CG2-CD1 4.27Å; T756-L761 HydrophobicContact CG2-CD2 3.47Å; T756-L761 VanDerWaalsContact CG2-CD2 3.47Å; T756-L761 HydrophobicContact CG2-CG 3.63Å
757	E	91.8	Very high	86.1	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.3	173.8	-54.7	88.7	157.5	0	0	111.7	T542 D560 S708 L759 F760 V783	T542-E757 PolarHBondContact OG1-OE1 3.44Å; T542-E757 VanDerWaalsContact OG1-OE1 3.09Å; D560-E757 WeakPolarHBondContact OD2-CB 3.26Å; S708-E757 PolarHBondContact OG-OE1 2.9Å; E757-L759 VanDerWaalsContact C-N 3.31Å; E757-L759 PolarHBondContact O-N 3.39Å; E757-F760 HydrophobicContact CB-CD2 3.77Å; E757-F760 HydrophobicContact CB-CE2 3.95Å; E757-F760 HydrophobicContact CG-CE2 4.4Å; E757-F760 PolarHBondContact O-N 2.87Å; E757-F760 VanDerWaalsContact O-N 3.15Å; E757-V783 HydrophobicContact CG-CG2 4.3Å
758	R	90.5	Very high	85	Confident	51 Å²	51	44.1 Å²	44.1	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-37	-168.3	178.9	-162.8	69.8	102.8	11.1	112.6	D560 T561 F760 L761 L762 V775	D560-R758 WeakPolarHBondContact OD1-CB 3Å; D560-R758 IonicContact OD1-NE 3.97Å; D560-R758 PolarHBondContact OD1-NE 3.31Å; D560-R758 IonicContact OD1-NH2 2.79Å; D560-R758 PolarHBondContact OD2-N 3.27Å; T561-R758 WeakPolarHBondContact O-CB 3.31Å; T561-R758 PolarHBondContact O-N 3.48Å; T561-R758 WeakPolarHBondContact OG1-CD 3.34Å; R758-F760 VanDerWaalsContact C-N 3.26Å; R758-F760 PolarHBondContact O-N 3.19Å; R758-L761 WeakPolarHBondContact O-CB 3.38Å; R758-L761 PolarHBondContact O-N 3.24Å; R758-L762 HydrophobicContact CG-CD1 4.49Å; R758-L762 HydrophobicContact CG-CG 4.41Å; R758-L762 PolarHBondContact O-N 2.79Å; R758-V775 HydrophobicContact CG-CG1 4.41Å
759	L	90.3	Very high	84	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-34.1	179.2	-73.1	171.4	0	0	0	113.3	F469 V558 D560 E757 L761 S763 L785 M821	F469-L759 HydrophobicContact CZ-CD1 4.26Å; V558-L759 HydrophobicContact CB-CD1 4.48Å; V558-L759 HydrophobicContact CG2-CD1 3.78Å; D560-L759 HydrophobicContact CB-CD1 3.94Å; D560-L759 HydrophobicContact CB-CG 4.27Å; D560-L759 VanDerWaalsContact CG-CG 3.44Å; D560-L759 WeakPolarHBondContact OD2-CB 3.36Å; D560-L759 VanDerWaalsContact OD2-CG 3.28Å; D560-L759 WeakPolarHBondContact OD2-CG 3.44Å; D560-L759 PolarHBondContact OD2-N 2.98Å; E757-L759 VanDerWaalsContact C-N 3.31Å; E757-L759 PolarHBondContact O-N 3.39Å; L759-L761 VanDerWaalsContact C-N 3.33Å; L759-S763 PolarHBondContact O-N 3.27Å; L759-L785 HydrophobicContact CD1-CD1 4.14Å; L759-M821 HydrophobicContact CD1-SD 4.5Å; L759-M821 HydrophobicContact CD2-CB 3.77Å; L759-M821 HydrophobicContact CD2-CG 4.12Å; L759-M821 HydrophobicContact CD2-SD 4.1Å
760	F	89.7	Confident	83.2	Confident	3 Å²	3	42.8 Å²	42.8	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-71	-30.7	175.2	-61.2	-73.8	0	0	0	111.9	D466 P467 F469 Y513 T756 E757 R758 S763 V764	D466-F760 HydrophobicContact CB-CE1 4.19Å; D466-F760 WeakPolarHBondContact OD2-CE1 3.49Å; P467-F760 WeakPolarHBondContact O-CD1 3.45Å; F469-F760 HydrophobicContact CD2-CD1 4.37Å; F469-F760 AromaticContact CD2-CE1 3.55Å; F469-F760 HydrophobicContact CD2-CE1 3.55Å; F469-F760 AromaticContact CD2-CZ 3.86Å; F469-F760 HydrophobicContact CD2-CZ 3.86Å; F469-F760 HydrophobicContact CE2-CD1 4.48Å; F469-F760 AromaticContact CE2-CE1 3.78Å; F469-F760 HydrophobicContact CE2-CE1 3.78Å; F469-F760 HydrophobicContact CE2-CE2 4.4Å; F469-F760 AromaticContact CE2-CZ 3.72Å; F469-F760 HydrophobicContact CE2-CZ 3.72Å; Y513-F760 WeakPolarHBondContact OH-CE1 3.18Å; Y513-F760 WeakPolarHBondContact OH-CZ 3.42Å; T756-F760 HydrophobicContact CG2-CB 4.14Å; E757-F760 HydrophobicContact CB-CD2 3.77Å; E757-F760 HydrophobicContact CB-CE2 3.95Å; E757-F760 HydrophobicContact CG-CE2 4.4Å; E757-F760 PolarHBondContact O-N 2.87Å; E757-F760 VanDerWaalsContact O-N 3.15Å; R758-F760 VanDerWaalsContact C-N 3.26Å; R758-F760 PolarHBondContact O-N 3.19Å; F760-S763 PolarHBondContact O-OG 3.38Å; F760-V764 WeakPolarHBondContact O-CG2 3.29Å
761	L	89.6	Confident	82.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-76.7	-35.8	178.5	-61.3	-177.1	0	0	0	112.5	G563 L565 Y754 T756 R758 L759 S763 V764 L765 V775	G563-L761 WeakPolarHBondContact O-CD1 3.09Å; L565-L761 HydrophobicContact CB-CD1 4.04Å; L565-L761 HydrophobicContact CB-CD2 3.78Å; L565-L761 HydrophobicContact CB-CG 4.48Å; L565-L761 HydrophobicContact CD2-CD2 4.24Å; L565-L761 HydrophobicContact CG-CD2 4.43Å; Y754-L761 HydrophobicContact CD1-CD2 3.64Å; Y754-L761 HydrophobicContact CE1-CD2 3.8Å; T756-L761 HydrophobicContact CG2-CD1 4.27Å; T756-L761 HydrophobicContact CG2-CD2 3.47Å; T756-L761 VanDerWaalsContact CG2-CD2 3.47Å; T756-L761 HydrophobicContact CG2-CG 3.63Å; R758-L761 WeakPolarHBondContact O-CB 3.38Å; R758-L761 PolarHBondContact O-N 3.24Å; L759-L761 VanDerWaalsContact C-N 3.33Å; L761-S763 VanDerWaalsContact C-N 3.26Å; L761-S763 PolarHBondContact O-N 3.35Å; L761-V764 WeakPolarHBondContact O-CB 3.39Å; L761-V764 PolarHBondContact O-N 3.12Å; L761-V764 VanDerWaalsContact O-N 3.14Å; L761-L765 PolarHBondContact O-N 2.92Å; L761-L765 VanDerWaalsContact O-N 3.15Å; L761-V775 HydrophobicContact CB-CG1 4.05Å; L761-V775 HydrophobicContact CB-CG2 3.6Å; L761-V775 HydrophobicContact CD1-CG1 3.87Å; L761-V775 HydrophobicContact CD1-CG2 4.22Å
762	L	85.9	Confident	81.9	Confident	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-34	175.8	-70.5	-179.2	0	0	0	112.5	R758 V764 L765 Q766 V825	R758-L762 HydrophobicContact CG-CD1 4.49Å; R758-L762 HydrophobicContact CG-CG 4.41Å; R758-L762 PolarHBondContact O-N 2.79Å; L762-V764 VanDerWaalsContact C-N 3.3Å; L762-L765 HydrophobicContact CD2-CD1 4.43Å; L762-L765 PolarHBondContact O-N 2.68Å; L762-Q766 WeakPolarHBondContact O-CG 3.16Å; L762-V825 HydrophobicContact CD2-CG2 3.91Å
763	S	82.7	Confident	81.7	Confident	21 Å²	21	42 Å²	42	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-33.2	175.4	74.2	0	0	0	0	111.9	P467 L759 F760 L761 Q766	P467-S763 PolarHBondContact O-OG 3.3Å; L759-S763 PolarHBondContact O-N 3.27Å; F760-S763 PolarHBondContact O-OG 3.38Å; L761-S763 VanDerWaalsContact C-N 3.26Å; L761-S763 PolarHBondContact O-N 3.35Å; S763-Q766 PolarHBondContact O-N 3.39Å
764	V	82.4	Confident	81.3	Confident	18 Å²	18	45.5 Å²	45.5	11%	0.109	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-44.3	176.1	171.5	0	0	0	0	111.8	L565 T739 V743 F760 L761 L762 Q766 S767 C770	L565-V764 HydrophobicContact CD2-CG1 4.5Å; T739-V764 HydrophobicContact CG2-CG2 3.99Å; V743-V764 HydrophobicContact CB-CG1 4.18Å; V743-V764 HydrophobicContact CG1-CG1 3.55Å; V743-V764 HydrophobicContact CG2-CB 4.2Å; V743-V764 HydrophobicContact CG2-CG1 3.48Å; V743-V764 VanDerWaalsContact CG2-CG1 3.48Å; V743-V764 HydrophobicContact CG2-CG2 3.68Å; F760-V764 WeakPolarHBondContact O-CG2 3.29Å; L761-V764 WeakPolarHBondContact O-CB 3.39Å; L761-V764 PolarHBondContact O-N 3.12Å; L761-V764 VanDerWaalsContact O-N 3.14Å; L762-V764 VanDerWaalsContact C-N 3.3Å; V764-Q766 PolarHBondContact O-N 3.24Å; V764-Q766 VanDerWaalsContact O-N 3.09Å; V764-S767 WeakPolarHBondContact O-CB 3.42Å; V764-S767 PolarHBondContact O-N 3.2Å; V764-S767 PolarHBondContact O-OG 2.87Å; V764-C770 HydrophobicContact CG1-CB 4.23Å
765	L	78.8	Confident	81	Confident	39 Å²	39	46.9 Å²	46.9	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-19.8	-179.2	-69	-174.9	0	0	0	113.5	L565 L761 L762 S767 L773 V775	L565-L765 HydrophobicContact CD1-CD2 4.11Å; L761-L765 PolarHBondContact O-N 2.92Å; L761-L765 VanDerWaalsContact O-N 3.15Å; L762-L765 HydrophobicContact CD2-CD1 4.43Å; L762-L765 PolarHBondContact O-N 2.68Å; L765-S767 VanDerWaalsContact C-N 3.29Å; L765-L773 HydrophobicContact CD2-CB 3.75Å; L765-L773 WeakPolarHBondContact CD2-O 3.44Å; L765-V775 HydrophobicContact CD1-CB 4.15Å; L765-V775 HydrophobicContact CD1-CG2 3.58Å; L765-V775 HydrophobicContact CD2-CG2 4.23Å; L765-V775 HydrophobicContact CG-CG2 3.88Å
766	Q	71.1	Confident	80.7	Confident	98 Å²	98	47.5 Å²	47.5	46%	0.458	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-19	176.5	-65.4	171.2	16.7	0	0	113.1	L762 S763 V764 N820	L762-Q766 WeakPolarHBondContact O-CG 3.16Å; S763-Q766 PolarHBondContact O-N 3.39Å; V764-Q766 PolarHBondContact O-N 3.24Å; V764-Q766 VanDerWaalsContact O-N 3.09Å; Q766-N820 PolarHBondContact NE2-O 3Å
767	S	72.3	Confident	80.4	Confident	49 Å²	49	51.7 Å²	51.7	34%	0.343	27%	0.265	S	S	.	.	S	Bend	trans	-71.6	132.2	176	67.3	0	0	0	0	110.5	V764 L765 E769 C770	V764-S767 WeakPolarHBondContact O-CB 3.42Å; V764-S767 PolarHBondContact O-N 3.2Å; V764-S767 PolarHBondContact O-OG 2.87Å; L765-S767 VanDerWaalsContact C-N 3.29Å; S767-E769 PolarHBondContact O-N 3.16Å; S767-E769 VanDerWaalsContact O-N 3.14Å; S767-C770 PolarHBondContact O-N 3.12Å; S767-C770 WeakPolarHBondContact OG-CB 3.41Å; S767-C770 PolarHBondContact OG-SG 3.03Å
768	E	64.3	Low	80.1	Confident	188 Å²	188	53.2 Å²	53.2	88%	0.879	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57.5	-31.3	-178.7	-65.3	-173.8	166.4	0	0	112.5	C770 S771	E768-C770 PolarHBondContact O-N 3.33Å; E768-S771 PolarHBondContact O-OG 3.18Å
769	E	64.7	Low	79.6	Confident	174 Å²	174	55.2 Å²	55.2	81%	0.813	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.3	178.1	-62.3	-171.7	165.4	0	0	113.7	S767	S767-E769 PolarHBondContact O-N 3.16Å; S767-E769 VanDerWaalsContact O-N 3.14Å
770	C	67.7	Low	79.2	Confident	7 Å²	7	58.1 Å²	58.1	5%	0.047	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-110	15.6	-171.9	-65.1	0	0	0	0	114.6	V743 V764 S767 E768 N772 L773	V743-C770 WeakPolarHBondContact CG1-SG 3.43Å; V764-C770 HydrophobicContact CG1-CB 4.23Å; S767-C770 PolarHBondContact O-N 3.12Å; S767-C770 WeakPolarHBondContact OG-CB 3.41Å; S767-C770 PolarHBondContact OG-SG 3.03Å; E768-C770 PolarHBondContact O-N 3.33Å; C770-N772 PolarHBondContact O-N 3.12Å; C770-L773 HydrophobicContact CB-CD1 3.89Å; C770-L773 HydrophobicContact CB-CG 4.35Å; C770-L773 WeakPolarHBondContact O-CB 3.34Å; C770-L773 PolarHBondContact O-N 3.25Å
771	S	65.1	Low	78.9	Confident	76 Å²	76	58.8 Å²	58.8	53%	0.531	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.2	-176.4	48	0	0	0	0	115.8	E768	E768-S771 PolarHBondContact O-OG 3.18Å
772	N	76.2	Confident	78.8	Confident	111 Å²	111	63.2 Å²	63.2	59%	0.594	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	16.6	178	-65.1	-21.2	0	0	0	113.5	P568 C770	P568-N772 WeakPolarHBondContact CD-O 3.47Å; C770-N772 PolarHBondContact O-N 3.12Å
773	L	84.1	Confident	79	Confident	17 Å²	17	63.8 Å²	63.8	9%	0.089	36%	0.357	C	S	.	.			trans	-107.4	152.3	177.2	-57.9	-177.5	0	0	0	110.4	L565 V566 K567 V743 V746 V747 L765 C770	L565-L773 HydrophobicContact CD1-CB 3.93Å; L565-L773 HydrophobicContact CD1-CD1 4.04Å; L565-L773 HydrophobicContact CD2-CD1 3.97Å; L565-L773 HydrophobicContact CG-CD1 4.16Å; V566-L773 WeakPolarHBondContact O-CA 3.29Å; K567-L773 HydrophobicContact CB-CD2 3.87Å; K567-L773 HydrophobicContact CG-CD2 4.25Å; V743-L773 HydrophobicContact CG1-CD1 4.22Å; V746-L773 HydrophobicContact CG1-CD2 3.9Å; V747-L773 HydrophobicContact CG2-CD1 3.8Å; V747-L773 HydrophobicContact CG2-CD2 4.22Å; V747-L773 HydrophobicContact CG2-CG 4.27Å; L765-L773 HydrophobicContact CD2-CB 3.75Å; L765-L773 WeakPolarHBondContact CD2-O 3.44Å; C770-L773 HydrophobicContact CB-CD1 3.89Å; C770-L773 HydrophobicContact CB-CG 4.35Å; C770-L773 WeakPolarHBondContact O-CB 3.34Å; C770-L773 PolarHBondContact O-N 3.25Å
774	E	83.1	Confident	79.5	Confident	73 Å²	73	64 Å²	64	34%	0.341	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.7	176.3	-166.2	169.8	171.7	0	0	109.2	V566 P568 L685	V566-E774 HydrophobicContact CG2-CB 4.31Å; V566-E774 PolarHBondContact N-O 3.38Å; V566-E774 PolarHBondContact O-N 2.8Å; P568-E774 HydrophobicContact CG-CB 3.67Å; P568-E774 WeakPolarHBondContact CG-OE2 3.3Å; L685-E774 HydrophobicContact CD2-CB 4.03Å; L685-E774 HydrophobicContact CD2-CG 4.05Å; L685-E774 WeakPolarHBondContact CD2-OE2 3.36Å
775	V	86.2	Confident	80	Confident	29 Å²	29	63.2 Å²	63.2	18%	0.176	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.4	178.8	174	0	0	0	0	108.2	I564 L565 R758 L761 L765	I564-V775 WeakPolarHBondContact O-CA 3.19Å; L565-V775 HydrophobicContact CD1-CG2 3.66Å; R758-V775 HydrophobicContact CG-CG1 4.41Å; L761-V775 HydrophobicContact CB-CG1 4.05Å; L761-V775 HydrophobicContact CB-CG2 3.6Å; L761-V775 HydrophobicContact CD1-CG1 3.87Å; L761-V775 HydrophobicContact CD1-CG2 4.22Å; L765-V775 HydrophobicContact CD1-CB 4.15Å; L765-V775 HydrophobicContact CD1-CG2 3.58Å; L765-V775 HydrophobicContact CD2-CG2 4.23Å; L765-V775 HydrophobicContact CG-CG2 3.88Å
776	I	86.2	Confident	80.8	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.072	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.2	173	-59	161.7	0	0	0	107.6	G563 I564 V566 L685 I687 S688	G563-I776 CarbonylContact C-O 3.59Å; G563-I776 WeakPolarHBondContact CA-O 3.3Å; I564-I776 HydrophobicContact CB-CB 4.23Å; I564-I776 PolarHBondContact N-O 3.15Å; I564-I776 PolarHBondContact O-N 3.07Å; V566-I776 HydrophobicContact CG1-CD1 3.88Å; V566-I776 HydrophobicContact CG2-CD1 3.81Å; V566-I776 HydrophobicContact CG2-CG1 4.2Å; L685-I776 HydrophobicContact CD1-CG1 4.36Å; L685-I776 HydrophobicContact CD2-CD1 4.23Å; L685-I776 HydrophobicContact CD2-CG1 4.29Å; I687-I776 HydrophobicContact CD1-CD1 4.29Å; I687-I776 HydrophobicContact CG1-CD1 3.78Å; I687-I776 WeakPolarHBondContact O-CD1 3.4Å; S688-I776 WeakPolarHBondContact O-CG2 3.31Å
777	E	85.4	Confident	82	Confident	90 Å²	90	56.8 Å²	56.8	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.6	176.2	-179.9	168	-172.5	0	0	111.3	T561 P779	T561-E777 WeakPolarHBondContact CG2-OE1 3.17Å; T561-E777 WeakPolarHBondContact OG1-CG 3.14Å; T561-E777 PolarHBondContact OG1-OE1 2.97Å; E777-P779 VanDerWaalsContact O-CD 3.28Å; E777-P779 WeakPolarHBondContact O-CD 3.49Å
778	E	85.9	Confident	83.1	Confident	41 Å²	41	54.4 Å²	54.4	19%	0.192	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	91.7	171.2	-174	61.9	-129.5	0	0	110	V562 L690 G780 I781	V562-E778 PolarHBondContact O-N 2.96Å; L690-E778 HydrophobicContact CB-CG 4.08Å; L690-E778 WeakPolarHBondContact CB-OE2 3.02Å; L690-E778 HydrophobicContact CD2-CG 4.35Å; L690-E778 PolarHBondContact N-OE2 3.47Å; E778-G780 PolarHBondContact O-N 3.28Å; E778-G780 VanDerWaalsContact O-N 3.16Å; E778-I781 HydrophobicContact CG-CD1 3.89Å; E778-I781 HydrophobicContact CG-CG1 4.36Å; E778-I781 PolarHBondContact O-N 3.48Å
779	P	80.7	Confident	84.6	Confident	92 Å²	92	45.5 Å²	45.5	60%	0.597	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	-15.8	-172.4	27.9	-35.9	0	0	0	113.5	E777 I781	E777-P779 VanDerWaalsContact O-CD 3.28Å; E777-P779 WeakPolarHBondContact O-CD 3.49Å; P779-I781 PolarHBondContact O-N 2.91Å
780	G	80.5	Confident	86	Confident	66 Å²	66	40.5 Å²	40.5	68%	0.68	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-14.9	178.3	0	0	0	0	0	114.3	E778	E778-G780 PolarHBondContact O-N 3.28Å; E778-G780 VanDerWaalsContact O-N 3.16Å
781	I	84	Confident	87	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	97.9	-176.7	-55.6	158.9	0	0	0	108.8	T561 V562 L690 M712 Y722 E778 P779 V783	T561-I781 VanDerWaalsContact CA-O 3.29Å; T561-I781 WeakPolarHBondContact CA-O 3.26Å; V562-I781 HydrophobicContact CB-CD1 4.36Å; V562-I781 HydrophobicContact CG2-CB 4.09Å; V562-I781 HydrophobicContact CG2-CD1 4.21Å; V562-I781 HydrophobicContact CG2-CG2 3.67Å; L690-I781 HydrophobicContact CD2-CD1 3.85Å; M712-I781 HydrophobicContact CE-CD1 3.56Å; M712-I781 HydrophobicContact CE-CG1 4.29Å; M712-I781 HydrophobicContact CE-CG2 4.29Å; M712-I781 HydrophobicContact SD-CG2 3.88Å; Y722-I781 HydrophobicContact CE1-CD1 3.99Å; Y722-I781 WeakPolarHBondContact OH-CD1 3.48Å; Y722-I781 WeakPolarHBondContact OH-CG1 3.27Å; E778-I781 HydrophobicContact CG-CD1 3.89Å; E778-I781 HydrophobicContact CG-CG1 4.36Å; E778-I781 PolarHBondContact O-N 3.48Å; P779-I781 PolarHBondContact O-N 2.91Å; I781-V783 HydrophobicContact CG2-CG1 4.26Å
782	V	88.3	Confident	87.9	Confident	93 Å²	93	43.6 Å²	43.6	56%	0.564	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.5	174.1	-175.6	0	0	0	0	109.2	E559 T561	E559-V782 HydrophobicContact CB-CG1 4.43Å; T561-V782 HydrophobicContact CG2-CG2 4.33Å
783	V	89.6	Confident	88.5	Confident	27 Å²	27	42.2 Å²	42.2	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.4	175.4	-65.3	0	0	0	0	109.7	T542 D560 E757 I781	T542-V783 HydrophobicContact CG2-CB 3.78Å; T542-V783 HydrophobicContact CG2-CG1 4.21Å; T542-V783 HydrophobicContact CG2-CG2 4.22Å; D560-V783 HydrophobicContact CB-CG2 4.4Å; D560-V783 PolarHBondContact N-O 3.12Å; D560-V783 WeakPolarHBondContact O-CG2 3.43Å; D560-V783 PolarHBondContact O-N 2.97Å; E757-V783 HydrophobicContact CG-CG2 4.3Å; I781-V783 HydrophobicContact CG2-CG1 4.26Å
784	A	92.6	Very high	88.5	Confident	26 Å²	26	46 Å²	46	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.1	177.1	0	0	0	0	0	110.3	I543 P556	I543-A784 HydrophobicContact CB-CB 4.49Å; I543-A784 WeakPolarHBondContact CB-O 3.43Å; I543-A784 HydrophobicContact CD1-CB 4.13Å; I543-A784 WeakPolarHBondContact CG1-O 3.34Å; I543-A784 PolarHBondContact N-O 3.33Å; P556-A784 HydrophobicContact CB-CB 3.82Å
785	L	93.8	Very high	88.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.3	177.7	-55.8	179.3	0	0	0	109.9	F469 L541 T542 I557 V558 D560 L759	F469-L785 HydrophobicContact CE1-CD1 4.32Å; F469-L785 HydrophobicContact CE2-CD1 4.01Å; F469-L785 HydrophobicContact CZ-CD1 3.42Å; F469-L785 VanDerWaalsContact CZ-CD1 3.42Å; L541-L785 WeakPolarHBondContact O-CA 3.32Å; T542-L785 HydrophobicContact CG2-CD2 4.18Å; I557-L785 PolarHBondContact N-O 3.32Å; V558-L785 HydrophobicContact CG2-CB 3.92Å; V558-L785 HydrophobicContact CG2-CD1 3.99Å; V558-L785 HydrophobicContact CG2-CG 4.31Å; V558-L785 PolarHBondContact O-N 3.19Å; D560-L785 HydrophobicContact CB-CD1 4.29Å; L759-L785 HydrophobicContact CD1-CD1 4.14Å
786	G	94.3	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	172.9	179.8	0	0	0	0	0	113.3	L541	L541-G786 WeakPolarHBondContact CB-O 3.47Å; L541-G786 PolarHBondContact O-N 2.91Å
787	F	96.8	Very high	89.1	Confident	1 Å²	1	46 Å²	46	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	162.5	168.8	-66.1	-10.2	0	0	0	109.7	A488 V491 L492 L495 M536 I537 A538 F553 I554 I557 M803	A488-F787 HydrophobicContact CB-CE1 3.93Å; A488-F787 HydrophobicContact CB-CZ 4.03Å; A488-F787 WeakPolarHBondContact O-CZ 3.12Å; V491-F787 HydrophobicContact CB-CE2 4.45Å; V491-F787 HydrophobicContact CB-CZ 4.19Å; V491-F787 HydrophobicContact CG1-CE2 3.91Å; V491-F787 HydrophobicContact CG1-CZ 4Å; L492-F787 HydrophobicContact CB-CE2 4.27Å; L495-F787 HydrophobicContact CD1-CD2 3.86Å; L495-F787 HydrophobicContact CD1-CE2 3.88Å; M536-F787 HydrophobicContact SD-CD2 4.43Å; I537-F787 WeakPolarHBondContact O-CA 3.45Å; I537-F787 VanDerWaalsContact O-CB 3.27Å; I537-F787 WeakPolarHBondContact O-CB 3.41Å; A538-F787 HydrophobicContact CB-CD1 4.27Å; A538-F787 HydrophobicContact CB-CD2 4.31Å; A538-F787 HydrophobicContact CB-CE1 4.1Å; A538-F787 HydrophobicContact CB-CE2 4.14Å; A538-F787 HydrophobicContact CB-CG 4.39Å; A538-F787 HydrophobicContact CB-CZ 4.04Å; F553-F787 CarbonylContact C-O 3.56Å; F553-F787 VanDerWaalsContact CA-O 3.29Å; F553-F787 WeakPolarHBondContact CA-O 3.33Å; F553-F787 WeakPolarHBondContact CD1-O 3.21Å; I554-F787 HydrophobicContact CB-CB 4.11Å; I554-F787 PolarHBondContact N-O 3.47Å; I554-F787 PolarHBondContact O-N 3.04Å; I557-F787 HydrophobicContact CD1-CD1 3.45Å; I557-F787 VanDerWaalsContact CD1-CD1 3.45Å; I557-F787 HydrophobicContact CD1-CD2 4.24Å; I557-F787 HydrophobicContact CD1-CE1 3.45Å; I557-F787 VanDerWaalsContact CD1-CE1 3.45Å; I557-F787 HydrophobicContact CD1-CE2 4.24Å; I557-F787 HydrophobicContact CD1-CG 3.86Å; I557-F787 HydrophobicContact CD1-CZ 3.86Å; F787-M803 HydrophobicContact CD2-CE 4.31Å; F787-M803 HydrophobicContact CE2-CE 4.44Å
788	A	96.1	Very high	89.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.9	179.5	0	0	0	0	0	111.7	L529 M536 I537 L541 V551 E552 F553	L529-A788 HydrophobicContact CD2-CB 3.86Å; M536-A788 CarbonylContact C-O 3.58Å; M536-A788 WeakPolarHBondContact CA-O 3.31Å; M536-A788 WeakPolarHBondContact CG-O 3.42Å; I537-A788 HydrophobicContact CB-CB 4.32Å; I537-A788 HydrophobicContact CD1-CB 4.39Å; I537-A788 PolarHBondContact N-O 3.43Å; I537-A788 PolarHBondContact O-N 2.46Å; I537-A788 VanDerWaalsContact O-N 3.11Å; L541-A788 HydrophobicContact CD2-CB 3.65Å; V551-A788 HydrophobicContact CB-CB 4.29Å; V551-A788 HydrophobicContact CG2-CB 4Å; E552-A788 WeakPolarHBondContact O-CA 3.46Å; F553-A788 HydrophobicContact CD1-CB 4.04Å; F553-A788 HydrophobicContact CE1-CB 4.13Å
789	V	96.3	Very high	89.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	162.4	174.2	-61.1	0	0	0	0	108.8	M536 V551 E552 I554 L791 K793 Y795 A796	M536-V789 HydrophobicContact CB-CG1 4.11Å; M536-V789 HydrophobicContact CE-CG1 3.85Å; M536-V789 HydrophobicContact CG-CG1 3.9Å; V551-V789 WeakPolarHBondContact CA-O 3.2Å; V551-V789 WeakPolarHBondContact CB-O 3.36Å; E552-V789 HydrophobicContact CB-CG2 4.12Å; E552-V789 PolarHBondContact N-O 3.33Å; E552-V789 WeakPolarHBondContact O-CG2 3.47Å; E552-V789 PolarHBondContact O-N 3.12Å; I554-V789 HydrophobicContact CD1-CG1 3.5Å; I554-V789 VanDerWaalsContact CD1-CG1 3.5Å; I554-V789 HydrophobicContact CD1-CG2 4.46Å; I554-V789 HydrophobicContact CG1-CG1 4.33Å; V789-L791 PolarHBondContact O-N 3.48Å; V789-K793 HydrophobicContact CG2-CB 4.27Å; V789-Y795 HydrophobicContact CB-CE2 4.03Å; V789-Y795 HydrophobicContact CG1-CD2 4.36Å; V789-Y795 HydrophobicContact CG1-CE2 3.65Å; V789-Y795 HydrophobicContact CG2-CE2 4.42Å; V789-A796 HydrophobicContact CG2-CB 3.57Å
790	H	93.8	Very high	90.3	Very high	69 Å²	69	36.7 Å²	36.7	32%	0.319	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	143.1	176.3	-173.2	-72.1	0	0	0	110.2	G792 K793	H790-G792 PolarHBondContact O-N 2.93Å; H790-K793 HydrophobicContact CB-CG 4.06Å; H790-K793 WeakPolarHBondContact O-CG 3.14Å; H790-K793 PolarHBondContact O-N 3.01Å
791	L	88	Confident	90.7	Very high	87 Å²	87	35.2 Å²	35.2	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.9	-179.1	-173.2	66.8	0	0	0	111.7	Y550 E552 V789	Y550-L791 WeakPolarHBondContact O-CB 3.18Å; E552-L791 HydrophobicContact CB-CD1 4.27Å; V789-L791 PolarHBondContact O-N 3.48Å
792	G	83.4	Confident	91.2	Very high	61 Å²	61	35.1 Å²	35.1	63%	0.629	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	17.6	175.4	0	0	0	0	0	115.1	E552 H790	E552-G792 PolarHBondContact OE2-N 3.37Å; H790-G792 PolarHBondContact O-N 2.93Å
793	K	88.6	Confident	91.5	Very high	83 Å²	83	30.8 Å²	30.8	36%	0.361	17%	0.171	S	C	.	.			trans	-78	130.8	173	-67.3	-70.4	-179.6	-177.5	0	110.4	V789 H790 Y795 A796	V789-K793 HydrophobicContact CG2-CB 4.27Å; H790-K793 HydrophobicContact CB-CG 4.06Å; H790-K793 WeakPolarHBondContact O-CG 3.14Å; H790-K793 PolarHBondContact O-N 3.01Å; K793-Y795 VanDerWaalsContact C-N 3.25Å; K793-Y795 HydrophobicContact CB-CD1 4.28Å; K793-Y795 HydrophobicContact CB-CD2 4.46Å; K793-Y795 HydrophobicContact CB-CE1 3.88Å; K793-Y795 HydrophobicContact CB-CE2 4.07Å; K793-Y795 HydrophobicContact CD-CE1 4.03Å; K793-Y795 HydrophobicContact CG-CE1 4.23Å; K793-Y795 PolarHBondContact O-N 2.78Å; K793-A796 VanDerWaalsContact O-CB 3.25Å; K793-A796 WeakPolarHBondContact O-CB 3.18Å; K793-A796 PolarHBondContact O-N 3.22Å; K793-A796 VanDerWaalsContact O-N 3.1Å
794	E	84.2	Confident	91.6	Very high	96 Å²	96	32.2 Å²	32.2	45%	0.449	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	-174.2	-69.2	153.7	-137.8	0	0	114.5	K293 F451 A796 P798	K293-E794 WeakPolarHBondContact CD-OE1 3.37Å; K293-E794 WeakPolarHBondContact CE-OE1 3.3Å; K293-E794 IonicContact NZ-OE1 3.95Å; K293-E794 PolarHBondContact NZ-OE1 3.35Å; K293-E794 IonicContact NZ-OE2 3.23Å; F451-E794 HydrophobicContact CB-CB 4.19Å; E794-A796 VanDerWaalsContact C-N 3.35Å; E794-P798 VanDerWaalsContact O-CD 3.27Å; E794-P798 WeakPolarHBondContact O-CD 2.94Å
795	Y	90.1	Very high	91.5	Very high	22 Å²	22	32.1 Å²	32.1	9%	0.086	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.4	-180	52.2	-99.5	0	0	0	113.8	F451 F454 D535 V789 K793 K797 M799	F451-Y795 VanDerWaalsContact CD1-CB 3.43Å; F451-Y795 VanDerWaalsContact CE1-CB 3.45Å; F454-Y795 AromaticContact CE1-CD1 3.72Å; F454-Y795 HydrophobicContact CE1-CD1 3.72Å; F454-Y795 AromaticContact CE1-CE1 3.95Å; F454-Y795 HydrophobicContact CE1-CE1 3.95Å; F454-Y795 HydrophobicContact CE1-CG 4.07Å; F454-Y795 HydrophobicContact CE2-CG 4.45Å; F454-Y795 AromaticContact CZ-CD1 3.66Å; F454-Y795 HydrophobicContact CZ-CD1 3.66Å; F454-Y795 AromaticContact CZ-CD2 3.81Å; F454-Y795 HydrophobicContact CZ-CD2 3.81Å; F454-Y795 HydrophobicContact CZ-CE1 4.11Å; F454-Y795 HydrophobicContact CZ-CE2 4.22Å; F454-Y795 AromaticContact CZ-CG 3.49Å; F454-Y795 HydrophobicContact CZ-CG 3.49Å; F454-Y795 VanDerWaalsContact CZ-CG 3.49Å; D535-Y795 PolarHBondContact O-OH 2.83Å; V789-Y795 HydrophobicContact CB-CE2 4.03Å; V789-Y795 HydrophobicContact CG1-CD2 4.36Å; V789-Y795 HydrophobicContact CG1-CE2 3.65Å; V789-Y795 HydrophobicContact CG2-CE2 4.42Å; K793-Y795 VanDerWaalsContact C-N 3.25Å; K793-Y795 HydrophobicContact CB-CD1 4.28Å; K793-Y795 HydrophobicContact CB-CD2 4.46Å; K793-Y795 HydrophobicContact CB-CE1 3.88Å; K793-Y795 HydrophobicContact CB-CE2 4.07Å; K793-Y795 HydrophobicContact CD-CE1 4.03Å; K793-Y795 HydrophobicContact CG-CE1 4.23Å; K793-Y795 PolarHBondContact O-N 2.78Å; Y795-K797 PolarHBondContact O-N 3.33Å; Y795-M799 HydrophobicContact CD2-SD 3.65Å; Y795-M799 HydrophobicContact CE2-SD 4.48Å; Y795-M799 HydrophobicContact CG-SD 4.38Å; Y795-M799 VanDerWaalsContact O-CB 3.23Å; Y795-M799 WeakPolarHBondContact O-CB 3.01Å; Y795-M799 WeakPolarHBondContact O-CG 3.24Å; Y795-M799 PolarHBondContact O-N 2.91Å
796	A	91.1	Very high	91.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-50.7	-176.8	0	0	0	0	0	112.1	E552 V789 K793 E794 M799 S800	E552-A796 HydrophobicContact CB-CB 4.27Å; E552-A796 VanDerWaalsContact CD-CB 3.4Å; E552-A796 HydrophobicContact CG-CB 3.82Å; E552-A796 WeakPolarHBondContact OE1-CB 3.35Å; V789-A796 HydrophobicContact CG2-CB 3.57Å; K793-A796 VanDerWaalsContact O-CB 3.25Å; K793-A796 WeakPolarHBondContact O-CB 3.18Å; K793-A796 PolarHBondContact O-N 3.22Å; K793-A796 VanDerWaalsContact O-N 3.1Å; E794-A796 VanDerWaalsContact C-N 3.35Å; A796-M799 PolarHBondContact O-N 3.37Å; A796-S800 WeakPolarHBondContact O-CB 3.18Å; A796-S800 PolarHBondContact O-N 2.85Å
797	K	87.4	Confident	91.5	Very high	94 Å²	94	36.6 Å²	36.6	41%	0.409	19%	0.191	S	C	.	.	H	α-helix	trans	-68.5	-46.6	-178.1	178.3	-176.7	174.7	-131.5	0	113.4	E443 Y795 M799 S800 S801	E443-K797 WeakPolarHBondContact OE1-CD 3.41Å; E443-K797 WeakPolarHBondContact OE1-CE 3.25Å; E443-K797 IonicContact OE1-NZ 3.77Å; E443-K797 PolarHBondContact OE1-NZ 3.46Å; Y795-K797 PolarHBondContact O-N 3.33Å; K797-M799 PolarHBondContact O-N 3.37Å; K797-S800 PolarHBondContact O-N 3.45Å; K797-S801 WeakPolarHBondContact O-CB 3.41Å; K797-S801 PolarHBondContact O-N 2.91Å; K797-S801 PolarHBondContact O-OG 3.4Å
798	P	90.2	Very high	91.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-44.8	170.9	-30.8	38.4	0	0	0	113.2	S441 F451 F499 E794 S800 S801 Y802	S441-P798 WeakPolarHBondContact O-CB 3.11Å; F451-P798 HydrophobicContact CB-CG 4.31Å; F451-P798 HydrophobicContact CD1-CB 4.39Å; F451-P798 HydrophobicContact CD1-CG 4.4Å; F499-P798 HydrophobicContact CE1-CB 3.98Å; F499-P798 HydrophobicContact CZ-CB 4.06Å; E794-P798 VanDerWaalsContact O-CD 3.27Å; E794-P798 WeakPolarHBondContact O-CD 2.94Å; P798-S800 PolarHBondContact O-N 3.46Å; P798-S801 PolarHBondContact O-N 2.91Å; P798-Y802 PolarHBondContact O-N 3.04Å
799	M	93.6	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-40	177.8	-74.4	178.5	133	0	0	112.2	F454 L495 F499 F501 M536 I554 Y795 A796 K797 Y802 M803	F454-M799 HydrophobicContact CE2-CE 3.61Å; F454-M799 HydrophobicContact CE2-SD 4.31Å; F454-M799 HydrophobicContact CZ-CE 4.22Å; F454-M799 HydrophobicContact CZ-SD 4.47Å; L495-M799 HydrophobicContact CB-CE 4.44Å; L495-M799 HydrophobicContact CD2-CB 4.28Å; L495-M799 HydrophobicContact CD2-CE 4.49Å; L495-M799 HydrophobicContact CD2-CG 4.3Å; F499-M799 HydrophobicContact CD2-CE 3.96Å; F499-M799 HydrophobicContact CD2-CG 3.81Å; F499-M799 HydrophobicContact CE2-CB 4.21Å; F499-M799 HydrophobicContact CE2-CG 3.52Å; F499-M799 HydrophobicContact CG-CE 4.43Å; F499-M799 HydrophobicContact CG-CG 4.48Å; F499-M799 HydrophobicContact CZ-CG 3.96Å; F501-M799 HydrophobicContact CD1-CE 4.28Å; F501-M799 HydrophobicContact CE1-CE 3.4Å; F501-M799 VanDerWaalsContact CE1-CE 3.4Å; F501-M799 HydrophobicContact CZ-CE 3.86Å; M536-M799 HydrophobicContact CE-CE 3.71Å; M536-M799 HydrophobicContact CE-SD 3.56Å; M536-M799 VanDerWaalsContact CE-SD 3.56Å; I554-M799 HydrophobicContact CD1-CB 3.75Å; I554-M799 HydrophobicContact CD1-CG 4.35Å; I554-M799 HydrophobicContact CD1-SD 3.68Å; I554-M799 HydrophobicContact CG1-CB 4.02Å; I554-M799 HydrophobicContact CG2-CB 3.84Å; Y795-M799 HydrophobicContact CD2-SD 3.65Å; Y795-M799 HydrophobicContact CE2-SD 4.48Å; Y795-M799 HydrophobicContact CG-SD 4.38Å; Y795-M799 VanDerWaalsContact O-CB 3.23Å; Y795-M799 WeakPolarHBondContact O-CB 3.01Å; Y795-M799 WeakPolarHBondContact O-CG 3.24Å; Y795-M799 PolarHBondContact O-N 2.91Å; A796-M799 PolarHBondContact O-N 3.37Å; K797-M799 PolarHBondContact O-N 3.37Å; M799-Y802 PolarHBondContact O-N 2.91Å; M799-M803 PolarHBondContact O-N 2.94Å
800	S	92.7	Very high	91.1	Very high	24 Å²	24	53.3 Å²	53.3	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-40.8	175.8	-166.3	0	0	0	0	111.6	G555 A796 K797 P798 Y802 M803 L804	G555-S800 PolarHBondContact N-OG 3.03Å; G555-S800 PolarHBondContact O-OG 3.35Å; A796-S800 WeakPolarHBondContact O-CB 3.18Å; A796-S800 PolarHBondContact O-N 2.85Å; K797-S800 PolarHBondContact O-N 3.45Å; P798-S800 PolarHBondContact O-N 3.46Å; S800-Y802 VanDerWaalsContact C-N 3.33Å; S800-Y802 PolarHBondContact O-N 3.39Å; S800-M803 WeakPolarHBondContact O-CB 3.29Å; S800-M803 PolarHBondContact O-N 3.38Å; S800-L804 WeakPolarHBondContact O-CG 3.44Å; S800-L804 PolarHBondContact O-N 3.48Å
801	S	90.5	Very high	91.1	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-38.1	174.6	-56.6	0	0	0	0	112.1	K797 P798 L804 T805	K797-S801 WeakPolarHBondContact O-CB 3.41Å; K797-S801 PolarHBondContact O-N 2.91Å; K797-S801 PolarHBondContact O-OG 3.4Å; P798-S801 PolarHBondContact O-N 2.91Å; S801-L804 PolarHBondContact O-N 3.16Å; S801-T805 PolarHBondContact O-N 3.32Å; S801-T805 PolarHBondContact O-OG1 2.03Å
802	Y	93.9	Very high	91.4	Very high	16 Å²	16	47.8 Å²	47.8	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-39	172.7	-168.1	-123.8	0	0	0	112.3	L442 L495 H498 F499 P798 M799 S800 L804 T805 L806	L442-Y802 HydrophobicContact CD1-CD2 3.31Å; L442-Y802 HydrophobicContact CD1-CE2 4.36Å; L442-Y802 HydrophobicContact CD1-CG 3.69Å; L495-Y802 HydrophobicContact CD2-CD1 3.8Å; H498-Y802 HydrophobicContact CB-CD1 4.07Å; H498-Y802 HydrophobicContact CB-CE1 3.43Å; H498-Y802 VanDerWaalsContact CB-CE1 3.43Å; H498-Y802 HydrophobicContact CB-CE2 4.23Å; H498-Y802 AromaticContact CD2-CD2 3.93Å; H498-Y802 AromaticContact CD2-CE2 3.34Å; H498-Y802 WeakPolarHBondContact CD2-CE2 3.43Å; H498-Y802 AromaticContact CD2-CZ 3.48Å; H498-Y802 VanDerWaalsContact CD2-CZ 3.48Å; H498-Y802 AromaticContact CG-CE1 3.73Å; H498-Y802 AromaticContact CG-CE2 3.7Å; H498-Y802 AromaticContact CG-CZ 3.5Å; H498-Y802 AromaticContact NE2-CD2 3.98Å; H498-Y802 AromaticContact NE2-CE2 3.78Å; F499-Y802 HydrophobicContact CE2-CD1 4.08Å; F499-Y802 HydrophobicContact CE2-CG 4.2Å; P798-Y802 PolarHBondContact O-N 3.04Å; M799-Y802 PolarHBondContact O-N 2.91Å; S800-Y802 VanDerWaalsContact C-N 3.33Å; S800-Y802 PolarHBondContact O-N 3.39Å; Y802-L804 VanDerWaalsContact C-N 3.29Å; Y802-L804 PolarHBondContact O-N 2.7Å; Y802-T805 CarbonylContact O-C 3.48Å; Y802-T805 WeakPolarHBondContact O-CA 3.45Å; Y802-T805 VanDerWaalsContact O-CB 3.27Å; Y802-T805 WeakPolarHBondContact O-CB 3.48Å; Y802-T805 PolarHBondContact O-N 2.98Å; Y802-L806 HydrophobicContact CD1-CD1 4.09Å; Y802-L806 HydrophobicContact CD1-CG 4.21Å; Y802-L806 HydrophobicContact CE1-CD1 3.94Å; Y802-L806 HydrophobicContact CE1-CD2 3.97Å; Y802-L806 HydrophobicContact CE1-CG 4.01Å; Y802-L806 HydrophobicContact CE2-CD2 4.38Å; Y802-L806 WeakPolarHBondContact O-CG 3.35Å; Y802-L806 PolarHBondContact O-N 3.02Å
803	M	93.6	Very high	91.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-44.4	175.1	-167.6	63.5	72	0	0	111.5	V491 L495 I554 I557 F787 M799 S800 T805 L806 R807 I812	V491-M803 HydrophobicContact CG1-CE 3.51Å; V491-M803 HydrophobicContact CG1-SD 3.68Å; L495-M803 HydrophobicContact CD1-CE 3.82Å; L495-M803 HydrophobicContact CG-CE 4.43Å; I554-M803 HydrophobicContact CG2-CB 4.43Å; I554-M803 HydrophobicContact CG2-CE 3.98Å; I557-M803 HydrophobicContact CB-SD 4.45Å; I557-M803 HydrophobicContact CD1-CE 3.95Å; I557-M803 HydrophobicContact CD1-SD 4.43Å; I557-M803 HydrophobicContact CG1-CE 3.78Å; I557-M803 HydrophobicContact CG1-CG 4.01Å; I557-M803 HydrophobicContact CG1-SD 3.75Å; I557-M803 HydrophobicContact CG2-SD 4.29Å; F787-M803 HydrophobicContact CD2-CE 4.31Å; F787-M803 HydrophobicContact CE2-CE 4.44Å; M799-M803 PolarHBondContact O-N 2.94Å; S800-M803 WeakPolarHBondContact O-CB 3.29Å; S800-M803 PolarHBondContact O-N 3.38Å; M803-T805 VanDerWaalsContact C-N 3.31Å; M803-T805 PolarHBondContact O-N 3.24Å; M803-L806 PolarHBondContact O-N 3.2Å; M803-L806 HydrophobicContact SD-CD1 4.38Å; M803-R807 PolarHBondContact O-N 3.34Å; M803-I812 HydrophobicContact SD-CD1 4.09Å
804	L	91.8	Very high	92.1	Very high	57 Å²	57	52 Å²	52	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-41.3	173.3	-67.4	173.6	0	0	0	111.6	S800 S801 Y802 L806 R807 E808	S800-L804 WeakPolarHBondContact O-CG 3.44Å; S800-L804 PolarHBondContact O-N 3.48Å; S801-L804 PolarHBondContact O-N 3.16Å; Y802-L804 VanDerWaalsContact C-N 3.29Å; Y802-L804 PolarHBondContact O-N 2.7Å; L804-L806 PolarHBondContact O-N 3.46Å; L804-R807 WeakPolarHBondContact O-CB 3.19Å; L804-R807 PolarHBondContact O-N 2.85Å; L804-R807 VanDerWaalsContact O-N 3.17Å; L804-E808 WeakPolarHBondContact O-CG 3.39Å; L804-E808 PolarHBondContact O-N 2.93Å
805	T	92.4	Very high	92.6	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.153	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-41	175.8	-56.4	0	0	0	0	111.9	S801 Y802 M803 R807 E808 R809	S801-T805 PolarHBondContact O-N 3.32Å; S801-T805 PolarHBondContact O-OG1 2.03Å; Y802-T805 CarbonylContact O-C 3.48Å; Y802-T805 WeakPolarHBondContact O-CA 3.45Å; Y802-T805 VanDerWaalsContact O-CB 3.27Å; Y802-T805 WeakPolarHBondContact O-CB 3.48Å; Y802-T805 PolarHBondContact O-N 2.98Å; M803-T805 VanDerWaalsContact C-N 3.31Å; M803-T805 PolarHBondContact O-N 3.24Å; T805-R807 VanDerWaalsContact C-N 3.29Å; T805-R807 PolarHBondContact O-N 3.4Å; T805-E808 PolarHBondContact O-N 3.44Å; T805-R809 HydrophobicContact CG2-CG 4.45Å; T805-R809 WeakPolarHBondContact O-CB 3.09Å; T805-R809 VanDerWaalsContact O-CG 3.24Å; T805-R809 WeakPolarHBondContact O-CG 3.22Å; T805-R809 PolarHBondContact O-N 3.45Å
806	L	94.9	Very high	92.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-37.7	175.3	-67.6	177.1	0	0	0	111.5	E494 Y802 M803 L804 G810 I811 I812	E494-L806 HydrophobicContact CB-CD1 3.94Å; E494-L806 HydrophobicContact CB-CD2 4.33Å; Y802-L806 HydrophobicContact CD1-CD1 4.09Å; Y802-L806 HydrophobicContact CD1-CG 4.21Å; Y802-L806 HydrophobicContact CE1-CD1 3.94Å; Y802-L806 HydrophobicContact CE1-CD2 3.97Å; Y802-L806 HydrophobicContact CE1-CG 4.01Å; Y802-L806 HydrophobicContact CE2-CD2 4.38Å; Y802-L806 WeakPolarHBondContact O-CG 3.35Å; Y802-L806 PolarHBondContact O-N 3.02Å; M803-L806 PolarHBondContact O-N 3.2Å; M803-L806 HydrophobicContact SD-CD1 4.38Å; L804-L806 PolarHBondContact O-N 3.46Å; L806-G810 PolarHBondContact O-N 2.92Å; L806-I811 HydrophobicContact CB-CB 4.47Å; L806-I811 HydrophobicContact CD2-CB 4.34Å; L806-I811 HydrophobicContact CD2-CD1 3.58Å; L806-I811 HydrophobicContact CD2-CG2 4.32Å; L806-I811 WeakPolarHBondContact O-CB 3.34Å; L806-I811 PolarHBondContact O-N 3.49Å; L806-I812 HydrophobicContact CB-CD1 4.02Å; L806-I812 HydrophobicContact CB-CG1 4.03Å
807	R	92.4	Very high	92.7	Very high	94 Å²	94	52.7 Å²	52.7	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-69	-47.5	176.4	-168.7	176.4	68.5	164	3.1	111.9	M803 L804 T805 R809 G810 I812	M803-R807 PolarHBondContact O-N 3.34Å; L804-R807 WeakPolarHBondContact O-CB 3.19Å; L804-R807 PolarHBondContact O-N 2.85Å; L804-R807 VanDerWaalsContact O-N 3.17Å; T805-R807 VanDerWaalsContact C-N 3.29Å; T805-R807 PolarHBondContact O-N 3.4Å; R807-R809 VanDerWaalsContact C-N 3.26Å; R807-R809 PolarHBondContact O-N 2.81Å; R807-G810 PolarHBondContact O-N 2.78Å; R807-I812 HydrophobicContact CB-CG1 4.16Å
808	E	91.7	Very high	92.9	Very high	160 Å²	160	53.9 Å²	53.9	75%	0.748	26%	0.263	S	S	*	.	H	α-helix	trans	-61.3	-34.5	177	-73.5	176.5	-179.1	0	0	112.3	L804 T805 G810	L804-E808 WeakPolarHBondContact O-CG 3.39Å; L804-E808 PolarHBondContact O-N 2.93Å; T805-E808 PolarHBondContact O-N 3.44Å; E808-G810 PolarHBondContact O-N 3.31Å
809	R	94.1	Very high	92.9	Very high	165 Å²	165	56 Å²	56	62%	0.623	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.3	173.9	-70.4	177.5	-177.3	-177.7	3.4	114	T805 R807 I811	T805-R809 HydrophobicContact CG2-CG 4.45Å; T805-R809 WeakPolarHBondContact O-CB 3.09Å; T805-R809 VanDerWaalsContact O-CG 3.24Å; T805-R809 WeakPolarHBondContact O-CG 3.22Å; T805-R809 PolarHBondContact O-N 3.45Å; R807-R809 VanDerWaalsContact C-N 3.26Å; R807-R809 PolarHBondContact O-N 2.81Å; R809-I811 VanDerWaalsContact C-N 3.28Å; R809-I811 HydrophobicContact CB-CD1 4.1Å; R809-I811 HydrophobicContact CB-CG1 4.16Å; R809-I811 PolarHBondContact O-N 2.92Å
810	G	94	Very high	92.5	Very high	28 Å²	28	60.1 Å²	60.1	29%	0.289	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	11	-178.1	0	0	0	0	0	115	L806 R807 E808 N813 K814	L806-G810 PolarHBondContact O-N 2.92Å; R807-G810 PolarHBondContact O-N 2.78Å; E808-G810 PolarHBondContact O-N 3.31Å; G810-N813 PolarHBondContact O-N 3.18Å; G810-K814 PolarHBondContact O-N 2.87Å
811	I	95.4	Very high	92.1	Very high	38 Å²	38	59.3 Å²	59.3	20%	0.195	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-40.7	179.2	-65	168	0	0	0	110.3	E494 L806 R809 N813 K814 F815	E494-I811 HydrophobicContact CG-CG2 4.44Å; L806-I811 HydrophobicContact CB-CB 4.47Å; L806-I811 HydrophobicContact CD2-CB 4.34Å; L806-I811 HydrophobicContact CD2-CD1 3.58Å; L806-I811 HydrophobicContact CD2-CG2 4.32Å; L806-I811 WeakPolarHBondContact O-CB 3.34Å; L806-I811 PolarHBondContact O-N 3.49Å; R809-I811 VanDerWaalsContact C-N 3.28Å; R809-I811 HydrophobicContact CB-CD1 4.1Å; R809-I811 HydrophobicContact CB-CG1 4.16Å; R809-I811 PolarHBondContact O-N 2.92Å; I811-N813 VanDerWaalsContact C-N 3.33Å; I811-N813 PolarHBondContact O-N 3.27Å; I811-K814 WeakPolarHBondContact O-CB 3.48Å; I811-K814 PolarHBondContact O-N 3.37Å; I811-F815 HydrophobicContact CG2-CD2 4.11Å; I811-F815 HydrophobicContact CG2-CE2 3.53Å; I811-F815 HydrophobicContact CG2-CZ 3.79Å; I811-F815 PolarHBondContact O-N 2.64Å
812	I	94.2	Very high	91.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-44.7	175	-58.4	-57.1	0	0	0	110.6	F487 V491 I557 V558 M803 L806 R807 K814 F815 M816	F487-I812 HydrophobicContact CE2-CG2 4.33Å; F487-I812 HydrophobicContact CZ-CG2 3.93Å; V491-I812 HydrophobicContact CG1-CD1 4.39Å; V491-I812 HydrophobicContact CG2-CD1 3.82Å; I557-I812 HydrophobicContact CG2-CD1 4.2Å; I557-I812 HydrophobicContact CG2-CG2 4.24Å; V558-I812 HydrophobicContact CG1-CG2 4.15Å; M803-I812 HydrophobicContact SD-CD1 4.09Å; L806-I812 HydrophobicContact CB-CD1 4.02Å; L806-I812 HydrophobicContact CB-CG1 4.03Å; R807-I812 HydrophobicContact CB-CG1 4.16Å; I812-K814 VanDerWaalsContact C-N 3.32Å; I812-K814 PolarHBondContact O-N 2.83Å; I812-F815 PolarHBondContact O-N 3.08Å; I812-F815 VanDerWaalsContact O-N 3.11Å; I812-M816 HydrophobicContact CG2-CG 4.43Å; I812-M816 WeakPolarHBondContact O-CG 3.24Å; I812-M816 PolarHBondContact O-N 3.41Å
813	N	92.4	Very high	89.8	Confident	84 Å²	84	62.9 Å²	62.9	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-40.4	176.7	-66.2	1.1	0	0	0	111.9	G810 I811 F815 M816 V817	G810-N813 PolarHBondContact O-N 3.18Å; I811-N813 VanDerWaalsContact C-N 3.33Å; I811-N813 PolarHBondContact O-N 3.27Å; N813-F815 VanDerWaalsContact C-N 3.31Å; N813-F815 PolarHBondContact O-N 3.06Å; N813-M816 HydrophobicContact CB-CE 4.2Å; N813-M816 PolarHBondContact O-N 3.48Å; N813-M816 WeakPolarHBondContact OD1-CE 3.48Å; N813-V817 WeakPolarHBondContact O-CG2 3.42Å; N813-V817 PolarHBondContact O-N 3.33Å
814	K	94.6	Very high	87.9	Confident	148 Å²	148	70 Å²	70	64%	0.643	35%	0.349	S	S	*	.	H	α-helix	trans	-58	-43.3	173.5	179.1	-173.5	175.7	-174	0	111.7	G810 I811 I812 V817 K818	G810-K814 PolarHBondContact O-N 2.87Å; I811-K814 WeakPolarHBondContact O-CB 3.48Å; I811-K814 PolarHBondContact O-N 3.37Å; I812-K814 VanDerWaalsContact C-N 3.32Å; I812-K814 PolarHBondContact O-N 2.83Å; K814-V817 PolarHBondContact O-N 2.87Å; K814-K818 WeakPolarHBondContact O-CB 3.49Å; K814-K818 PolarHBondContact O-N 3.42Å
815	F	94.7	Very high	85.9	Confident	16 Å²	16	70.9 Å²	70.9	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-37.5	175.7	-62.3	-34.6	0	0	0	112.5	F487 D490 V491 E494 I811 I812 N813 V817 K818 W819	F487-F815 HydrophobicContact CD2-CB 3.63Å; F487-F815 HydrophobicContact CE2-CB 3.67Å; D490-F815 HydrophobicContact CB-CD1 3.99Å; D490-F815 HydrophobicContact CB-CD2 4.08Å; D490-F815 HydrophobicContact CB-CE1 3.97Å; D490-F815 HydrophobicContact CB-CE2 4.04Å; D490-F815 HydrophobicContact CB-CG 4.06Å; D490-F815 HydrophobicContact CB-CZ 4Å; V491-F815 HydrophobicContact CG2-CD2 3.89Å; V491-F815 HydrophobicContact CG2-CE2 4.38Å; E494-F815 HydrophobicContact CG-CE2 3.79Å; E494-F815 HydrophobicContact CG-CZ 3.82Å; I811-F815 HydrophobicContact CG2-CD2 4.11Å; I811-F815 HydrophobicContact CG2-CE2 3.53Å; I811-F815 HydrophobicContact CG2-CZ 3.79Å; I811-F815 PolarHBondContact O-N 2.64Å; I812-F815 PolarHBondContact O-N 3.08Å; I812-F815 VanDerWaalsContact O-N 3.11Å; N813-F815 VanDerWaalsContact C-N 3.31Å; N813-F815 PolarHBondContact O-N 3.06Å; F815-V817 VanDerWaalsContact C-N 3.3Å; F815-V817 PolarHBondContact O-N 3.41Å; F815-K818 WeakPolarHBondContact O-CB 3.44Å; F815-K818 PolarHBondContact O-N 3.16Å; F815-W819 PolarHBondContact O-N 3.45Å
816	M	91.7	Very high	83.6	Confident	34 Å²	34	75.7 Å²	75.7	17%	0.167	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-41.3	174.6	-70.5	-165.2	-66	0	0	111.6	F487 V558 I812 N813 W819 N820 M821 T822	F487-M816 HydrophobicContact CE2-CB 4.46Å; F487-M816 HydrophobicContact CE2-CG 3.62Å; F487-M816 HydrophobicContact CZ-CG 4.04Å; V558-M816 HydrophobicContact CG1-CG 4.14Å; V558-M816 HydrophobicContact CG1-SD 3.56Å; V558-M816 VanDerWaalsContact CG1-SD 3.56Å; I812-M816 HydrophobicContact CG2-CG 4.43Å; I812-M816 WeakPolarHBondContact O-CG 3.24Å; I812-M816 PolarHBondContact O-N 3.41Å; N813-M816 HydrophobicContact CB-CE 4.2Å; N813-M816 PolarHBondContact O-N 3.48Å; N813-M816 WeakPolarHBondContact OD1-CE 3.48Å; M816-W819 CarbonylContact O-C 3.55Å; M816-W819 PolarHBondContact O-N 3.04Å; M816-N820 PolarHBondContact O-N 3.44Å; M816-N820 VanDerWaalsContact O-N 3.13Å; M816-M821 HydrophobicContact CB-CB 4.05Å; M816-M821 HydrophobicContact CG-CB 4.38Å; M816-M821 HydrophobicContact CG-SD 4.25Å; M816-M821 PolarHBondContact O-N 2.99Å; M816-T822 HydrophobicContact CB-CG2 3.62Å; M816-T822 HydrophobicContact CE-CG2 4.44Å
817	V	90.7	Very high	81.3	Confident	84 Å²	84	81.7 Å²	81.7	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-66.3	-45.2	174.1	174	0	0	0	0	111.1	N813 K814 F815 W819 N820 T822	N813-V817 WeakPolarHBondContact O-CG2 3.42Å; N813-V817 PolarHBondContact O-N 3.33Å; K814-V817 PolarHBondContact O-N 2.87Å; F815-V817 VanDerWaalsContact C-N 3.3Å; F815-V817 PolarHBondContact O-N 3.41Å; V817-W819 PolarHBondContact O-N 3.41Å; V817-N820 PolarHBondContact O-N 2.84Å; V817-N820 PolarHBondContact O-OD1 3.49Å; V817-T822 HydrophobicContact CG2-CG2 4.08Å
818	K	92.2	Very high	79.1	Confident	120 Å²	120	81.2 Å²	81.2	52%	0.522	42%	0.423	S	S	.	.	H	α-helix	trans	-55	-39	177.5	179.2	-173.6	172	-168	0	112.3	D490 K814 F815	D490-K818 VanDerWaalsContact CG-NZ 3.31Å; D490-K818 IonicContact OD1-NZ 3.75Å; D490-K818 PolarHBondContact OD1-NZ 2.99Å; D490-K818 VanDerWaalsContact OD1-NZ 3.13Å; D490-K818 WeakPolarHBondContact OD2-CE 3.4Å; D490-K818 IonicContact OD2-NZ 3.29Å; D490-K818 PolarHBondContact OD2-NZ 3.1Å; K814-K818 WeakPolarHBondContact O-CB 3.49Å; K814-K818 PolarHBondContact O-N 3.42Å; F815-K818 WeakPolarHBondContact O-CB 3.44Å; F815-K818 PolarHBondContact O-N 3.16Å
819	W	90.3	Very high	76.8	Confident	45 Å²	45	84.4 Å²	84.4	17%	0.17	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	18	-179.8	-65.3	103.1	0	0	0	113.3	V471 G486 F487 D490 F815 M816 V817 M821	V471-W819 HydrophobicContact CB-CZ3 3.99Å; V471-W819 HydrophobicContact CG2-CE3 3.82Å; V471-W819 HydrophobicContact CG2-CH2 4.39Å; V471-W819 HydrophobicContact CG2-CZ3 3.53Å; G486-W819 VanDerWaalsContact C-CZ2 3.42Å; G486-W819 VanDerWaalsContact CA-CH2 3.44Å; F487-W819 HydrophobicContact CB-CB 4.41Å; F487-W819 HydrophobicContact CB-CG 3.99Å; D490-W819 PolarHBondContact OD2-NE1 3.43Å; F815-W819 PolarHBondContact O-N 3.45Å; M816-W819 CarbonylContact O-C 3.55Å; M816-W819 PolarHBondContact O-N 3.04Å; V817-W819 PolarHBondContact O-N 3.41Å; W819-M821 HydrophobicContact CB-CE 3.87Å; W819-M821 HydrophobicContact CB-CG 4.33Å; W819-M821 PolarHBondContact O-N 2.86Å; W819-M821 VanDerWaalsContact O-N 3.11Å
820	N	85.2	Confident	74.7	Confident	88 Å²	88	80.4 Å²	80.4	47%	0.471	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.1	176.3	-68.7	-18.8	0	0	0	114.9	Q766 M816 V817	Q766-N820 PolarHBondContact NE2-O 3Å; M816-N820 PolarHBondContact O-N 3.44Å; M816-N820 VanDerWaalsContact O-N 3.13Å; V817-N820 PolarHBondContact O-N 2.84Å; V817-N820 PolarHBondContact O-OD1 3.49Å
821	M	84.1	Confident	72.6	Confident	6 Å²	6	84.2 Å²	84.2	3%	0.03	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.8	177.6	-64	-166.6	-162.2	0	0	113.7	P468 F487 L759 M816 W819	P468-M821 HydrophobicContact CB-CE 3.65Å; P468-M821 HydrophobicContact CB-CG 4.42Å; P468-M821 HydrophobicContact CG-CE 3.38Å; P468-M821 HydrophobicContact CG-CG 3.97Å; P468-M821 HydrophobicContact CG-SD 4.02Å; F487-M821 HydrophobicContact CB-CE 3.09Å; F487-M821 HydrophobicContact CD1-CE 3.69Å; F487-M821 HydrophobicContact CD1-SD 4.4Å; F487-M821 HydrophobicContact CD2-CE 3.47Å; F487-M821 VanDerWaalsContact CD2-CE 3.47Å; F487-M821 HydrophobicContact CD2-SD 4.1Å; F487-M821 HydrophobicContact CE1-CE 4.43Å; F487-M821 HydrophobicContact CE2-CE 4.25Å; F487-M821 HydrophobicContact CE2-SD 4.34Å; F487-M821 HydrophobicContact CG-CE 3.14Å; F487-M821 HydrophobicContact CG-SD 4.14Å; L759-M821 HydrophobicContact CD1-SD 4.5Å; L759-M821 HydrophobicContact CD2-CB 3.77Å; L759-M821 HydrophobicContact CD2-CG 4.12Å; L759-M821 HydrophobicContact CD2-SD 4.1Å; M816-M821 HydrophobicContact CB-CB 4.05Å; M816-M821 HydrophobicContact CG-CB 4.38Å; M816-M821 HydrophobicContact CG-SD 4.25Å; M816-M821 PolarHBondContact O-N 2.99Å; W819-M821 HydrophobicContact CB-CE 3.87Å; W819-M821 HydrophobicContact CB-CG 4.33Å; W819-M821 PolarHBondContact O-N 2.86Å; W819-M821 VanDerWaalsContact O-N 3.11Å
822	T	73.7	Confident	70.7	Confident	69 Å²	69	91.5 Å²	91.5	42%	0.423	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.4	-178.6	59.9	0	0	0	0	112.8	M816 V817 D824	M816-T822 HydrophobicContact CB-CG2 3.62Å; M816-T822 HydrophobicContact CE-CG2 4.44Å; V817-T822 HydrophobicContact CG2-CG2 4.08Å; T822-D824 VanDerWaalsContact C-N 3.34Å; T822-D824 PolarHBondContact O-N 3.44Å
823	S	62.1	Low	68.9	Low	57 Å²	57	97.9 Å²	97.9	40%	0.399	49%	0.488	S	S	.	.			trans	-61.8	105.3	-177.8	-157.5	0	0	0	0	107.2	V825	S823-V825 PolarHBondContact O-N 3.37Å
824	D	53.8	Low	67.4	Low	150 Å²	150	98.1 Å²	98.1	80%	0.802	50%	0.502	S	S	*	.			trans	-44.9	98.2	130.2	-71.8	-32.3	0	0	0	103.1	T822 D826	T822-D824 VanDerWaalsContact C-N 3.34Å; T822-D824 PolarHBondContact O-N 3.44Å; D824-D826 PolarHBondContact O-N 3.11Å
825	V	50.3	Low	65.9	Low	76 Å²	76	95.2 Å²	95.2	46%	0.461	49%	0.493	S	S	.	.			trans	-58.7	105.9	166.8	178.1	0	0	0	0	101.6	L762 S823 P827	L762-V825 HydrophobicContact CD2-CG2 3.91Å; S823-V825 PolarHBondContact O-N 3.37Å; V825-P827 WeakPolarHBondContact O-CD 3.01Å
826	D	43.1	Very low	64.7	Low	127 Å²	127	97.6 Å²	97.6	68%	0.679	51%	0.509	S	S	*	.			trans	-39.2	118.1	169.1	-89.1	-35.3	0	0	0	105	D824 M828	D824-D826 PolarHBondContact O-N 3.11Å; D826-M828 VanDerWaalsContact O-CA 3.3Å; D826-M828 WeakPolarHBondContact O-CA 3.48Å; D826-M828 PolarHBondContact O-N 2.87Å
827	P	46	Very low	63.9	Low	125 Å²	125	101.7 Å²	101.7	81%	0.812	53%	0.53	S	S	*	.	S	Bend	trans	-61.6	88	-169.9	20.7	-32.2	0	0	0	108.6	V825	V825-P827 WeakPolarHBondContact O-CD 3.01Å
828	M	46.7	Very low	63.1	Low	85 Å²	85	105.3 Å²	105.3	42%	0.419	54%	0.535	S	S	.	.			trans	38.3	134.6	-159	-76.3	176.3	72.3	0	0	115.3	L683 D826 V830 Q831	L683-M828 HydrophobicContact CD1-CE 4.25Å; L683-M828 HydrophobicContact CD1-SD 3.43Å; L683-M828 WeakPolarHBondContact CD1-SD 3.23Å; D826-M828 VanDerWaalsContact O-CA 3.3Å; D826-M828 WeakPolarHBondContact O-CA 3.48Å; D826-M828 PolarHBondContact O-N 2.87Å; M828-V830 PolarHBondContact O-N 3.23Å; M828-Q831 HydrophobicContact CE-CB 4.43Å
829	R	43.8	Very low	62.1	Low	226 Å²	226	102.8 Å²	102.8	85%	0.853	53%	0.527	S	S	*	.			trans	-50.6	105.7	137.6	-72	-178.3	-162.5	173.9	7.1	104.6	Q831	R829-Q831 PolarHBondContact O-N 3.41Å
830	V	50.7	Low	61.4	Low	81 Å²	81	102.4 Å²	102.4	49%	0.491	53%	0.53	S	S	.	.			trans	-51.1	100.4	175.4	178.2	0	0	0	0	105.1	M828 Y832	M828-V830 PolarHBondContact O-N 3.23Å; V830-Y832 WeakPolarHBondContact O-CD2 3.38Å; V830-Y832 PolarHBondContact O-N 3.27Å
831	Q	48.4	Very low	61.3	Low	108 Å²	108	98.8 Å²	98.8	51%	0.505	51%	0.512	S	S	.	.			trans	-72.8	104.3	-177.9	-96.3	-174	-9.2	0	0	104.2	M828 R829 Q833	M828-Q831 HydrophobicContact CE-CB 4.43Å; R829-Q831 PolarHBondContact O-N 3.41Å; Q831-Q833 VanDerWaalsContact C-N 3.33Å; Q831-Q833 PolarHBondContact O-N 3.47Å
832	Y	55.3	Low	61.2	Low	192 Å²	192	98.6 Å²	98.6	75%	0.753	51%	0.511	S	S	*	.			trans	-58.7	101.2	167.8	-64.8	-82.4	0	0	0	107.1	V830	V830-Y832 WeakPolarHBondContact O-CD2 3.38Å; V830-Y832 PolarHBondContact O-N 3.27Å
833	Q	57.7	Low	61.6	Low	135 Å²	135	97 Å²	97	63%	0.631	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-78.7	136.4	169.2	-89.1	178.8	-28.7	0	0	108.9	N681 Q831 L835	N681-Q833 PolarHBondContact ND2-OE1 2.9Å; Q831-Q833 VanDerWaalsContact C-N 3.33Å; Q831-Q833 PolarHBondContact O-N 3.47Å; Q833-L835 PolarHBondContact O-N 2.77Å
834	A	60.6	Low	62.8	Low	88 Å²	88	100 Å²	100	73%	0.727	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-59	138.9	169.3	0	0	0	0	0	109.3	T836	A834-T836 PolarHBondContact O-N 2.88Å; A834-T836 VanDerWaalsContact O-N 3.09Å
835	L	63.9	Low	64.4	Low	88 Å²	88	95.8 Å²	95.8	46%	0.461	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-55.9	118.1	175.6	-126.1	79.3	0	0	0	109.7	L678 Q833 V840	L678-L835 HydrophobicContact CB-CD1 3.81Å; L678-L835 HydrophobicContact CD1-CD1 3.88Å; L678-L835 HydrophobicContact CD1-CD2 3.99Å; L678-L835 HydrophobicContact CD2-CD1 3.66Å; L678-L835 HydrophobicContact CD2-CD2 4.21Å; L678-L835 HydrophobicContact CD2-CG 4.21Å; L678-L835 HydrophobicContact CG-CD1 3.95Å; Q833-L835 PolarHBondContact O-N 2.77Å; L835-V840 HydrophobicContact CD2-CG2 3.43Å; L835-V840 VanDerWaalsContact CD2-CG2 3.43Å; L835-V840 HydrophobicContact CG-CG2 4.3Å
836	T	69.3	Low	66.2	Low	65 Å²	65	94 Å²	94	40%	0.399	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-83.7	158.3	173.1	71.9	0	0	0	0	110	A834 W838 N839	A834-T836 PolarHBondContact O-N 2.88Å; A834-T836 VanDerWaalsContact O-N 3.09Å; T836-W838 PolarHBondContact O-N 2.88Å; T836-N839 PolarHBondContact O-N 2.97Å; T836-N839 VanDerWaalsContact O-N 3.16Å; T836-N839 PolarHBondContact OG1-OD1 3.23Å; T836-N839 VanDerWaalsContact OG1-OD1 3.04Å
837	I	74.7	Confident	68.4	Low	120 Å²	120	92 Å²	92	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-61.1	-26.7	175.8	-163.2	150	0	0	0	112.1	V840 A841	I837-V840 CarbonylContact O-C 3.58Å; I837-V840 PolarHBondContact O-N 2.94Å; I837-A841 WeakPolarHBondContact O-CA 3.38Å; I837-A841 WeakPolarHBondContact O-CB 3.49Å; I837-A841 PolarHBondContact O-N 2.92Å
838	W	73.2	Confident	70.6	Confident	161 Å²	161	89.6 Å²	89.6	61%	0.61	46%	0.456	S	S	*	.	H	α-helix	trans	-64.6	-39.6	177	-60	112.9	0	0	0	112.3	F575 T836 V840 A841	F575-W838 AromaticContact CE1-CE3 3.82Å; F575-W838 HydrophobicContact CE1-CE3 3.82Å; F575-W838 AromaticContact CE1-CZ3 3.86Å; F575-W838 HydrophobicContact CE1-CZ3 3.86Å; F575-W838 HydrophobicContact CZ-CZ3 4.38Å; T836-W838 PolarHBondContact O-N 2.88Å; W838-V840 PolarHBondContact O-N 3.09Å; W838-A841 WeakPolarHBondContact O-CB 3.36Å; W838-A841 PolarHBondContact O-N 3.03Å
839	N	71.5	Confident	72.8	Confident	67 Å²	67	90.1 Å²	90.1	36%	0.358	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-27.6	178.5	-63.2	12.4	0	0	0	112.2	T836	T836-N839 PolarHBondContact O-N 2.97Å; T836-N839 VanDerWaalsContact O-N 3.16Å; T836-N839 PolarHBondContact OG1-OD1 3.23Å; T836-N839 VanDerWaalsContact OG1-OD1 3.04Å
840	V	76.3	Confident	75.1	Confident	37 Å²	37	85.8 Å²	85.8	22%	0.224	45%	0.447	C	S	.	.	H	α-helix	trans	-104.4	-5.9	-179.7	-167.1	0	0	0	0	112.2	M578 L835 I837 W838 G842 A843 F844	M578-V840 HydrophobicContact CE-CG1 4.39Å; L835-V840 HydrophobicContact CD2-CG2 3.43Å; L835-V840 VanDerWaalsContact CD2-CG2 3.43Å; L835-V840 HydrophobicContact CG-CG2 4.3Å; I837-V840 CarbonylContact O-C 3.58Å; I837-V840 PolarHBondContact O-N 2.94Å; W838-V840 PolarHBondContact O-N 3.09Å; V840-G842 PolarHBondContact O-N 2.89Å; V840-G842 VanDerWaalsContact O-N 3.07Å; V840-A843 HydrophobicContact CG1-CB 4.42Å; V840-A843 PolarHBondContact O-N 2.91Å; V840-F844 HydrophobicContact CB-CE2 4.34Å; V840-F844 HydrophobicContact CG1-CD2 4.28Å; V840-F844 HydrophobicContact CG1-CE2 3.9Å
841	A	81.6	Confident	77.1	Confident	12 Å²	12	85.4 Å²	85.4	10%	0.099	45%	0.445	C	S	.	.	H	α-helix	trans	-56.8	-33	-171.3	0	0	0	0	0	112.9	F575 I837 W838 A843 F844 I845	F575-A841 HydrophobicContact CD1-CB 4.02Å; I837-A841 WeakPolarHBondContact O-CA 3.38Å; I837-A841 WeakPolarHBondContact O-CB 3.49Å; I837-A841 PolarHBondContact O-N 2.92Å; W838-A841 WeakPolarHBondContact O-CB 3.36Å; W838-A841 PolarHBondContact O-N 3.03Å; A841-A843 VanDerWaalsContact C-N 3.27Å; A841-A843 PolarHBondContact O-N 3.38Å; A841-F844 PolarHBondContact O-N 3.28Å; A841-F844 VanDerWaalsContact O-N 3.11Å; A841-I845 HydrophobicContact CB-CD1 4.47Å; A841-I845 VanDerWaalsContact O-CG1 3.3Å; A841-I845 WeakPolarHBondContact O-CG1 3.25Å; A841-I845 PolarHBondContact O-N 3.2Å
842	G	82.8	Confident	79.3	Confident	2 Å²	2	82 Å²	82	2%	0.021	44%	0.439	C	S	.	.	H	α-helix	trans	-53.2	-41.9	175.3	0	0	0	0	0	113.6	F575 V840 I845 V846	F575-G842 WeakPolarHBondContact O-CA 3.25Å; F575-G842 PolarHBondContact O-N 3.38Å; F575-G842 VanDerWaalsContact O-N 3.09Å; V840-G842 PolarHBondContact O-N 2.89Å; V840-G842 VanDerWaalsContact O-N 3.07Å; G842-I845 PolarHBondContact O-N 3.37Å; G842-V846 WeakPolarHBondContact O-CB 2.99Å; G842-V846 WeakPolarHBondContact O-CG2 3.14Å; G842-V846 PolarHBondContact O-N 3.46Å
843	A	82.5	Confident	81.1	Confident	35 Å²	35	76.7 Å²	76.7	29%	0.289	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-39.3	178.9	0	0	0	0	0	112.1	V840 A841 T847	V840-A843 HydrophobicContact CG1-CB 4.42Å; V840-A843 PolarHBondContact O-N 2.91Å; A841-A843 VanDerWaalsContact C-N 3.27Å; A841-A843 PolarHBondContact O-N 3.38Å; A843-T847 PolarHBondContact O-N 3.18Å; A843-T847 PolarHBondContact O-OG1 3.42Å
844	F	86.9	Confident	82.8	Confident	120 Å²	120	73.8 Å²	73.8	53%	0.526	42%	0.417	S	S	.	.	H	α-helix	trans	-69.4	-40.5	177	-71.3	-75	0	0	0	112.5	V840 A841 T847 S848	V840-F844 HydrophobicContact CB-CE2 4.34Å; V840-F844 HydrophobicContact CG1-CD2 4.28Å; V840-F844 HydrophobicContact CG1-CE2 3.9Å; A841-F844 PolarHBondContact O-N 3.28Å; A841-F844 VanDerWaalsContact O-N 3.11Å; F844-T847 PolarHBondContact O-N 3.14Å; F844-S848 WeakPolarHBondContact O-CB 3.1Å; F844-S848 PolarHBondContact O-N 2.95Å; F844-S848 PolarHBondContact O-OG 3.15Å
845	I	87.9	Confident	84.4	Confident	61 Å²	61	74.9 Å²	74.9	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-48.3	176.3	-69.1	166.3	0	0	0	109.8	F575 A841 G842 T847 S848 I849	F575-I845 HydrophobicContact CB-CD1 4.37Å; F575-I845 HydrophobicContact CD1-CD1 3.87Å; F575-I845 HydrophobicContact CE1-CD1 4.5Å; F575-I845 HydrophobicContact CG-CD1 4.27Å; A841-I845 HydrophobicContact CB-CD1 4.47Å; A841-I845 VanDerWaalsContact O-CG1 3.3Å; A841-I845 WeakPolarHBondContact O-CG1 3.25Å; A841-I845 PolarHBondContact O-N 3.2Å; G842-I845 PolarHBondContact O-N 3.37Å; I845-T847 VanDerWaalsContact C-N 3.34Å; I845-T847 PolarHBondContact O-N 3.31Å; I845-S848 PolarHBondContact O-N 3.33Å; I845-I849 HydrophobicContact CG2-CD1 3.82Å; I845-I849 HydrophobicContact CG2-CG1 4.48Å; I845-I849 WeakPolarHBondContact O-CG1 3.29Å; I845-I849 PolarHBondContact O-N 3.39Å
846	V	87.6	Confident	85.8	Confident	40 Å²	40	77.2 Å²	77.2	24%	0.242	42%	0.417	C	S	.	.	H	α-helix	trans	-58.9	-47.2	178.8	170.5	0	0	0	0	110.7	F576 F579 G842 S848 I849 F850	F576-V846 HydrophobicContact CE1-CG2 4.08Å; F579-V846 HydrophobicContact CE2-CG2 4.23Å; F579-V846 HydrophobicContact CZ-CG2 4.06Å; G842-V846 WeakPolarHBondContact O-CB 2.99Å; G842-V846 WeakPolarHBondContact O-CG2 3.14Å; G842-V846 PolarHBondContact O-N 3.46Å; V846-S848 VanDerWaalsContact C-N 3.33Å; V846-S848 PolarHBondContact O-N 3.18Å; V846-I849 PolarHBondContact O-N 3.43Å; V846-F850 HydrophobicContact CG1-CD2 3.63Å; V846-F850 HydrophobicContact CG1-CE2 3.48Å; V846-F850 VanDerWaalsContact CG1-CE2 3.48Å; V846-F850 WeakPolarHBondContact O-CD2 3.49Å; V846-F850 PolarHBondContact O-N 3.31Å
847	T	89.6	Confident	86.9	Confident	84 Å²	84	78.1 Å²	78.1	52%	0.515	42%	0.418	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177.2	-57	0	0	0	0	112	A843 F844 I845 I849 F850 T851	A843-T847 PolarHBondContact O-N 3.18Å; A843-T847 PolarHBondContact O-OG1 3.42Å; F844-T847 PolarHBondContact O-N 3.14Å; I845-T847 VanDerWaalsContact C-N 3.34Å; I845-T847 PolarHBondContact O-N 3.31Å; T847-I849 VanDerWaalsContact C-N 3.35Å; T847-I849 PolarHBondContact O-N 2.94Å; T847-F850 PolarHBondContact O-N 3.44Å; T847-T851 HydrophobicContact CG2-CG2 4.32Å; T847-T851 VanDerWaalsContact O-CG2 3.28Å; T847-T851 WeakPolarHBondContact O-CG2 3.42Å; T847-T851 PolarHBondContact O-N 2.96Å; T847-T851 PolarHBondContact O-OG1 3.18Å
848	S	91.1	Very high	87.8	Confident	74 Å²	74	77.1 Å²	77.1	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-36.3	179.6	-57.4	0	0	0	0	112.7	F844 I845 V846 T851 G852	F844-S848 WeakPolarHBondContact O-CB 3.1Å; F844-S848 PolarHBondContact O-N 2.95Å; F844-S848 PolarHBondContact O-OG 3.15Å; I845-S848 PolarHBondContact O-N 3.33Å; V846-S848 VanDerWaalsContact C-N 3.33Å; V846-S848 PolarHBondContact O-N 3.18Å; S848-T851 WeakPolarHBondContact CA-OG1 3.38Å; S848-T851 PolarHBondContact O-OG1 3.47Å; S848-G852 PolarHBondContact O-N 2.6Å; S848-G852 VanDerWaalsContact O-N 3.08Å
849	I	92.9	Very high	88.7	Confident	96 Å²	96	74.2 Å²	74.2	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-65.2	-46.3	173.6	-68.8	167.3	0	0	0	109.7	I845 V846 T847 T851 G852 I853	I845-I849 HydrophobicContact CG2-CD1 3.82Å; I845-I849 HydrophobicContact CG2-CG1 4.48Å; I845-I849 WeakPolarHBondContact O-CG1 3.29Å; I845-I849 PolarHBondContact O-N 3.39Å; V846-I849 PolarHBondContact O-N 3.43Å; T847-I849 VanDerWaalsContact C-N 3.35Å; T847-I849 PolarHBondContact O-N 2.94Å; I849-T851 PolarHBondContact O-N 3.22Å; I849-G852 PolarHBondContact O-N 3.08Å; I849-I853 HydrophobicContact CG2-CD1 3.85Å; I849-I853 WeakPolarHBondContact O-CG1 3.37Å; I849-I853 PolarHBondContact O-N 3.38Å
850	F	92.5	Very high	89.6	Confident	136 Å²	136	74.7 Å²	74.7	60%	0.596	42%	0.415	S	S	*	.	H	α-helix	trans	-66.5	-36.3	179.9	-79.5	-64.9	0	0	0	113.5	V846 T847 I853 S854	V846-F850 HydrophobicContact CG1-CD2 3.63Å; V846-F850 HydrophobicContact CG1-CE2 3.48Å; V846-F850 VanDerWaalsContact CG1-CE2 3.48Å; V846-F850 WeakPolarHBondContact O-CD2 3.49Å; V846-F850 PolarHBondContact O-N 3.31Å; T847-F850 PolarHBondContact O-N 3.44Å; F850-I853 HydrophobicContact CD1-CD1 4.5Å; F850-I853 PolarHBondContact O-N 3.29Å; F850-S854 WeakPolarHBondContact O-CB 3.45Å; F850-S854 PolarHBondContact O-N 3.29Å
851	T	93.4	Very high	90.4	Very high	73 Å²	73	78.1 Å²	78.1	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-39.4	174.2	57.4	0	0	0	0	111.3	T847 S848 I849 S854 L855	T847-T851 HydrophobicContact CG2-CG2 4.32Å; T847-T851 VanDerWaalsContact O-CG2 3.28Å; T847-T851 WeakPolarHBondContact O-CG2 3.42Å; T847-T851 PolarHBondContact O-N 2.96Å; T847-T851 PolarHBondContact O-OG1 3.18Å; S848-T851 WeakPolarHBondContact CA-OG1 3.38Å; S848-T851 PolarHBondContact O-OG1 3.47Å; I849-T851 PolarHBondContact O-N 3.22Å; T851-S854 WeakPolarHBondContact O-CB 3.42Å; T851-S854 PolarHBondContact O-N 3.46Å; T851-L855 WeakPolarHBondContact O-CG 2.96Å; T851-L855 PolarHBondContact O-N 3.32Å
852	G	93.1	Very high	90.8	Very high	37 Å²	37	84 Å²	84	38%	0.381	45%	0.448	S	S	.	.	H	α-helix	trans	-60.5	-45.8	172.6	0	0	0	0	0	112.6	S848 I849 S854 L855 F856	S848-G852 PolarHBondContact O-N 2.6Å; S848-G852 VanDerWaalsContact O-N 3.08Å; I849-G852 PolarHBondContact O-N 3.08Å; G852-S854 VanDerWaalsContact C-N 3.31Å; G852-S854 PolarHBondContact O-N 2.83Å; G852-L855 PolarHBondContact O-N 3.36Å; G852-F856 PolarHBondContact O-N 3.4Å
853	I	93.8	Very high	91	Very high	80 Å²	80	88.5 Å²	88.5	41%	0.41	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-41.7	174.2	-67.8	166.9	0	0	0	110.5	I849 F850 L855 F856 I857	I849-I853 HydrophobicContact CG2-CD1 3.85Å; I849-I853 WeakPolarHBondContact O-CG1 3.37Å; I849-I853 PolarHBondContact O-N 3.38Å; F850-I853 HydrophobicContact CD1-CD1 4.5Å; F850-I853 PolarHBondContact O-N 3.29Å; I853-L855 PolarHBondContact O-N 3.48Å; I853-F856 WeakPolarHBondContact O-CB 3.32Å; I853-F856 PolarHBondContact O-N 3.18Å; I853-I857 HydrophobicContact CG2-CD1 3.76Å; I853-I857 HydrophobicContact CG2-CG1 4.35Å; I853-I857 VanDerWaalsContact O-CG1 3.28Å; I853-I857 WeakPolarHBondContact O-CG1 3.46Å; I853-I857 PolarHBondContact O-N 3.12Å
854	S	93.5	Very high	91.4	Very high	74 Å²	74	94 Å²	94	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-42.4	177.3	-175.1	0	0	0	0	112.5	F850 T851 G852 F856 I857 L858	F850-S854 WeakPolarHBondContact O-CB 3.45Å; F850-S854 PolarHBondContact O-N 3.29Å; T851-S854 WeakPolarHBondContact O-CB 3.42Å; T851-S854 PolarHBondContact O-N 3.46Å; G852-S854 VanDerWaalsContact C-N 3.31Å; G852-S854 PolarHBondContact O-N 2.83Å; S854-F856 VanDerWaalsContact C-N 3.34Å; S854-I857 PolarHBondContact O-N 3.35Å; S854-L858 PolarHBondContact O-N 3.45Å
855	L	93.7	Very high	91.4	Very high	111 Å²	111	95.7 Å²	95.7	58%	0.581	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-37.6	176.1	-72.8	171.6	0	0	0	111.6	T851 G852 I853 L858 L859	T851-L855 WeakPolarHBondContact O-CG 2.96Å; T851-L855 PolarHBondContact O-N 3.32Å; G852-L855 PolarHBondContact O-N 3.36Å; I853-L855 PolarHBondContact O-N 3.48Å; L855-L858 WeakPolarHBondContact O-CB 3.05Å; L855-L858 PolarHBondContact O-N 3.37Å; L855-L859 WeakPolarHBondContact O-CG 3.42Å; L855-L859 PolarHBondContact O-N 3.2Å
856	F	93.2	Very high	91.3	Very high	136 Å²	136	99.7 Å²	99.7	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-44.2	174.1	179.7	-100.5	0	0	0	111.8	G852 I853 S854 L858 L859 V860	G852-F856 PolarHBondContact O-N 3.4Å; I853-F856 WeakPolarHBondContact O-CB 3.32Å; I853-F856 PolarHBondContact O-N 3.18Å; S854-F856 VanDerWaalsContact C-N 3.34Å; F856-L858 VanDerWaalsContact C-N 3.32Å; F856-L858 PolarHBondContact O-N 3.27Å; F856-L859 WeakPolarHBondContact O-CB 3.42Å; F856-L859 PolarHBondContact O-N 3.36Å; F856-L859 VanDerWaalsContact O-N 3.17Å; F856-V860 HydrophobicContact CD1-CG2 4.28Å; F856-V860 HydrophobicContact CE1-CG2 3.86Å; F856-V860 HydrophobicContact CZ-CG2 4.02Å; F856-V860 WeakPolarHBondContact O-CG2 3.44Å; F856-V860 PolarHBondContact O-N 3.04Å
857	I	93.5	Very high	91.1	Very high	84 Å²	84	105.4 Å²	105.4	43%	0.431	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.8	-68.5	166.7	0	0	0	110.4	I853 S854 L859 V860 E861	I853-I857 HydrophobicContact CG2-CD1 3.76Å; I853-I857 HydrophobicContact CG2-CG1 4.35Å; I853-I857 VanDerWaalsContact O-CG1 3.28Å; I853-I857 WeakPolarHBondContact O-CG1 3.46Å; I853-I857 PolarHBondContact O-N 3.12Å; S854-I857 PolarHBondContact O-N 3.35Å; I857-L859 VanDerWaalsContact C-N 3.29Å; I857-L859 PolarHBondContact O-N 2.63Å; I857-V860 CarbonylContact O-C 3.46Å; I857-V860 WeakPolarHBondContact O-CB 3.44Å; I857-V860 PolarHBondContact O-N 3.16Å; I857-V860 VanDerWaalsContact O-N 3.09Å; I857-E861 HydrophobicContact CG2-CG 4.3Å; I857-E861 WeakPolarHBondContact O-CG 3.2Å; I857-E861 PolarHBondContact O-N 3.14Å
858	L	93	Very high	90.6	Very high	100 Å²	100	108 Å²	108	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-40.4	175.2	-179.2	68	0	0	0	112.1	S854 L855 F856 E861 W862	S854-L858 PolarHBondContact O-N 3.45Å; L855-L858 WeakPolarHBondContact O-CB 3.05Å; L855-L858 PolarHBondContact O-N 3.37Å; F856-L858 VanDerWaalsContact C-N 3.32Å; F856-L858 PolarHBondContact O-N 3.27Å; L858-E861 PolarHBondContact O-N 2.89Å; L858-W862 VanDerWaalsContact O-CB 3.3Å; L858-W862 WeakPolarHBondContact O-CB 3.38Å; L858-W862 PolarHBondContact O-N 2.72Å
859	L	91.6	Very high	89.7	Confident	100 Å²	100	106.2 Å²	106.2	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-42.7	174.6	-72.7	172.2	0	0	0	111.6	L855 F856 I857 W862 V863	L855-L859 WeakPolarHBondContact O-CG 3.42Å; L855-L859 PolarHBondContact O-N 3.2Å; F856-L859 WeakPolarHBondContact O-CB 3.42Å; F856-L859 PolarHBondContact O-N 3.36Å; F856-L859 VanDerWaalsContact O-N 3.17Å; I857-L859 VanDerWaalsContact C-N 3.29Å; I857-L859 PolarHBondContact O-N 2.63Å; L859-W862 PolarHBondContact O-N 3.33Å; L859-V863 WeakPolarHBondContact O-CB 3.47Å; L859-V863 VanDerWaalsContact O-CG2 3.28Å; L859-V863 WeakPolarHBondContact O-CG2 3.39Å; L859-V863 PolarHBondContact O-N 2.91Å
860	V	91.8	Very high	88.6	Confident	77 Å²	77	110.5 Å²	110.5	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.6	173.3	0	0	0	0	110.8	F856 I857 W862 V863 W864	F856-V860 HydrophobicContact CD1-CG2 4.28Å; F856-V860 HydrophobicContact CE1-CG2 3.86Å; F856-V860 HydrophobicContact CZ-CG2 4.02Å; F856-V860 WeakPolarHBondContact O-CG2 3.44Å; F856-V860 PolarHBondContact O-N 3.04Å; I857-V860 CarbonylContact O-C 3.46Å; I857-V860 WeakPolarHBondContact O-CB 3.44Å; I857-V860 PolarHBondContact O-N 3.16Å; I857-V860 VanDerWaalsContact O-N 3.09Å; V860-W862 VanDerWaalsContact C-N 3.33Å; V860-W862 PolarHBondContact O-N 3.05Å; V860-V863 PolarHBondContact O-N 2.83Å; V860-W864 VanDerWaalsContact O-CB 3.23Å; V860-W864 WeakPolarHBondContact O-CB 3.48Å; V860-W864 PolarHBondContact O-N 2.99Å
861	E	91.8	Very high	87.4	Confident	109 Å²	109	109.5 Å²	109.5	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.6	-74.3	177.9	178.2	0	0	111.6	I857 L858 W864 Y865	I857-E861 HydrophobicContact CG2-CG 4.3Å; I857-E861 WeakPolarHBondContact O-CG 3.2Å; I857-E861 PolarHBondContact O-N 3.14Å; L858-E861 PolarHBondContact O-N 2.89Å; E861-W864 PolarHBondContact O-N 2.91Å; E861-Y865 VanDerWaalsContact O-CB 3.24Å; E861-Y865 WeakPolarHBondContact O-CB 3.33Å; E861-Y865 PolarHBondContact O-N 2.86Å
862	W	89.9	Confident	86	Confident	135 Å²	135	110.3 Å²	110.3	51%	0.511	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-42.5	179.9	-169.4	54.4	0	0	0	112.3	L858 L859 V860 Y865 R866	L858-W862 VanDerWaalsContact O-CB 3.3Å; L858-W862 WeakPolarHBondContact O-CB 3.38Å; L858-W862 PolarHBondContact O-N 2.72Å; L859-W862 PolarHBondContact O-N 3.33Å; V860-W862 VanDerWaalsContact C-N 3.33Å; V860-W862 PolarHBondContact O-N 3.05Å; W862-Y865 PolarHBondContact O-N 2.68Å; W862-R866 VanDerWaalsContact CZ2-CZ 3.4Å; W862-R866 WeakPolarHBondContact O-CB 3.28Å; W862-R866 PolarHBondContact O-N 3.18Å
863	V	88.7	Confident	84.5	Confident	96 Å²	96	115.1 Å²	115.1	58%	0.582	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-45.5	173.6	171.4	0	0	0	0	110.2	L859 V860 Y865 R866 W867	L859-V863 WeakPolarHBondContact O-CB 3.47Å; L859-V863 VanDerWaalsContact O-CG2 3.28Å; L859-V863 WeakPolarHBondContact O-CG2 3.39Å; L859-V863 PolarHBondContact O-N 2.91Å; V860-V863 PolarHBondContact O-N 2.83Å; V863-Y865 PolarHBondContact O-N 3.42Å; V863-R866 PolarHBondContact O-N 2.77Å; V863-W867 WeakPolarHBondContact O-CB 3.43Å; V863-W867 PolarHBondContact O-N 2.78Å
864	W	89.5	Confident	82.9	Confident	152 Å²	152	116.3 Å²	116.3	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-42.3	178.4	-173.6	61.1	0	0	0	112	V860 E861 W867 R868	V860-W864 VanDerWaalsContact O-CB 3.23Å; V860-W864 WeakPolarHBondContact O-CB 3.48Å; V860-W864 PolarHBondContact O-N 2.99Å; E861-W864 PolarHBondContact O-N 2.91Å; W864-W867 PolarHBondContact O-N 2.89Å; W864-R868 WeakPolarHBondContact O-CB 3.49Å; W864-R868 PolarHBondContact O-N 3.03Å
865	Y	87.1	Confident	81.2	Confident	154 Å²	154	116.6 Å²	116.6	60%	0.604	54%	0.536	S	S	*	.	H	α-helix	trans	-64.9	-43.4	176.8	-178	-97.2	0	0	0	112.1	E861 W862 V863 W867 R868 S869	E861-Y865 VanDerWaalsContact O-CB 3.24Å; E861-Y865 WeakPolarHBondContact O-CB 3.33Å; E861-Y865 PolarHBondContact O-N 2.86Å; W862-Y865 PolarHBondContact O-N 2.68Å; V863-Y865 PolarHBondContact O-N 3.42Å; Y865-W867 VanDerWaalsContact C-N 3.34Å; Y865-R868 PolarHBondContact O-N 3.43Å; Y865-S869 WeakPolarHBondContact CE1-OG 3.48Å; Y865-S869 VanDerWaalsContact O-CB 3.27Å; Y865-S869 WeakPolarHBondContact O-CB 3.12Å; Y865-S869 PolarHBondContact O-N 3.22Å; Y865-S869 PolarHBondContact O-OG 3.08Å; Y865-S869 VanDerWaalsContact O-OG 3.06Å
866	R	85.1	Confident	79.4	Confident	145 Å²	145	115.8 Å²	115.8	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-62.6	-41.3	173.9	-88.1	-173.4	166.9	176	-1.8	111.8	W862 V863 S869 R870	W862-R866 VanDerWaalsContact CZ2-CZ 3.4Å; W862-R866 WeakPolarHBondContact O-CB 3.28Å; W862-R866 PolarHBondContact O-N 3.18Å; V863-R866 PolarHBondContact O-N 2.77Å; R866-S869 PolarHBondContact O-N 3.13Å; R866-R870 PolarHBondContact O-N 3.17Å
867	W	83.5	Confident	77.7	Confident	161 Å²	161	112.4 Å²	112.4	61%	0.61	53%	0.526	S	S	*	.	H	α-helix	trans	-65.5	-42.8	177.9	-163.6	68.9	0	0	0	111.8	V863 W864 Y865 R870 K871	V863-W867 WeakPolarHBondContact O-CB 3.43Å; V863-W867 PolarHBondContact O-N 2.78Å; W864-W867 PolarHBondContact O-N 2.89Å; Y865-W867 VanDerWaalsContact C-N 3.34Å; W867-R870 PolarHBondContact O-N 2.81Å; W867-K871 PolarHBondContact O-N 3.41Å; W867-K871 VanDerWaalsContact O-N 3.15Å
868	R	79.6	Confident	75.9	Confident	137 Å²	137	113.8 Å²	113.8	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-39.9	175.4	-168.1	174.1	-176.9	168.7	-0.7	112.6	W864 Y865 K871 N872	W864-R868 WeakPolarHBondContact O-CB 3.49Å; W864-R868 PolarHBondContact O-N 3.03Å; Y865-R868 PolarHBondContact O-N 3.43Å; R868-K871 PolarHBondContact O-N 3.44Å; R868-N872 PolarHBondContact O-N 3Å
869	S	72.5	Confident	74.1	Confident	38 Å²	38	116.1 Å²	116.1	27%	0.266	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-36.7	176	-70.9	0	0	0	0	112.1	Y865 R866 N872 M873	Y865-S869 WeakPolarHBondContact CE1-OG 3.48Å; Y865-S869 VanDerWaalsContact O-CB 3.27Å; Y865-S869 WeakPolarHBondContact O-CB 3.12Å; Y865-S869 PolarHBondContact O-N 3.22Å; Y865-S869 PolarHBondContact O-OG 3.08Å; Y865-S869 VanDerWaalsContact O-OG 3.06Å; R866-S869 PolarHBondContact O-N 3.13Å; S869-N872 PolarHBondContact O-N 3.1Å; S869-M873 WeakPolarHBondContact O-CB 3.44Å; S869-M873 VanDerWaalsContact O-CG 3.32Å; S869-M873 WeakPolarHBondContact O-CG 3.25Å; S869-M873 PolarHBondContact O-N 2.96Å
870	R	70.6	Confident	72.4	Confident	186 Å²	186	117.2 Å²	117.2	70%	0.702	55%	0.546	S	S	*	.	H	α-helix	trans	-61.2	-47.6	170.9	-81.6	-175.8	175	-178.1	-1.7	111.5	R866 W867 N872 M873 D874	R866-R870 PolarHBondContact O-N 3.17Å; W867-R870 PolarHBondContact O-N 2.81Å; R870-N872 VanDerWaalsContact C-N 3.3Å; R870-N872 PolarHBondContact O-N 3.47Å; R870-M873 PolarHBondContact O-N 3.46Å; R870-M873 VanDerWaalsContact O-N 3.16Å; R870-D874 VanDerWaalsContact O-CG 3.23Å; R870-D874 PolarHBondContact O-N 3.13Å
871	K	66.7	Low	70.7	Confident	115 Å²	115	119.3 Å²	119.3	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-58.6	-38.3	172.7	-90.6	-173.4	178.7	-178.7	0	113.3	W867 R868 T875	W867-K871 PolarHBondContact O-N 3.41Å; W867-K871 VanDerWaalsContact O-N 3.15Å; R868-K871 PolarHBondContact O-N 3.44Å; K871-T875 WeakPolarHBondContact O-CG2 3.43Å; K871-T875 PolarHBondContact O-N 3.47Å; K871-T875 PolarHBondContact O-OG1 2.85Å
872	N	64.1	Low	69	Low	90 Å²	90	120.4 Å²	120.4	48%	0.481	56%	0.564	S	S	.	*	H	α-helix	trans	-71.1	-35	176.6	-80.5	5.7	0	0	0	112.7	R868 S869 R870 T875 N876	R868-N872 PolarHBondContact O-N 3Å; S869-N872 PolarHBondContact O-N 3.1Å; R870-N872 VanDerWaalsContact C-N 3.3Å; R870-N872 PolarHBondContact O-N 3.47Å; N872-T875 VanDerWaalsContact CA-OG1 3.25Å; N872-T875 WeakPolarHBondContact CA-OG1 3.45Å; N872-T875 PolarHBondContact O-OG1 2.75Å; N872-N876 WeakPolarHBondContact O-CB 3.38Å; N872-N876 PolarHBondContact O-N 3.25Å
873	M	60.2	Low	67.3	Low	138 Å²	138	120.8 Å²	120.8	68%	0.68	58%	0.576	S	S	*	*	H	α-helix	trans	-69	-40.7	173	-74.8	-74.8	-169.6	0	0	111.4	S869 R870 T875 N876 S877	S869-M873 WeakPolarHBondContact O-CB 3.44Å; S869-M873 VanDerWaalsContact O-CG 3.32Å; S869-M873 WeakPolarHBondContact O-CG 3.25Å; S869-M873 PolarHBondContact O-N 2.96Å; R870-M873 PolarHBondContact O-N 3.46Å; R870-M873 VanDerWaalsContact O-N 3.16Å; M873-T875 VanDerWaalsContact C-N 3.32Å; M873-T875 PolarHBondContact O-N 3.49Å; M873-N876 PolarHBondContact O-N 3.32Å; M873-S877 WeakPolarHBondContact O-CB 3.25Å; M873-S877 PolarHBondContact O-N 2.92Å
874	D	61.7	Low	65.7	Low	105 Å²	105	119.6 Å²	119.6	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-64.4	-38.1	175.5	-65.4	-24.7	0	0	0	111.2	R870 N878	R870-D874 VanDerWaalsContact O-CG 3.23Å; R870-D874 PolarHBondContact O-N 3.13Å; D874-N878 WeakPolarHBondContact O-CB 3.43Å; D874-N878 PolarHBondContact O-N 3.39Å; D874-N878 VanDerWaalsContact O-N 3.12Å
875	T	57.5	Low	63.7	Low	79 Å²	79	124.7 Å²	124.7	49%	0.485	61%	0.61	S	S	.	*	H	α-helix	trans	-73.7	-36.8	175.4	47.3	0	0	0	0	113.3	K871 N872 M873 K879	K871-T875 WeakPolarHBondContact O-CG2 3.43Å; K871-T875 PolarHBondContact O-N 3.47Å; K871-T875 PolarHBondContact O-OG1 2.85Å; N872-T875 VanDerWaalsContact CA-OG1 3.25Å; N872-T875 WeakPolarHBondContact CA-OG1 3.45Å; N872-T875 PolarHBondContact O-OG1 2.75Å; M873-T875 VanDerWaalsContact C-N 3.32Å; M873-T875 PolarHBondContact O-N 3.49Å; T875-K879 PolarHBondContact O-N 3.06Å
876	N	56.8	Low	62.5	Low	94 Å²	94	123.3 Å²	123.3	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-73.8	-34.4	175	-83.9	-9.7	0	0	0	113	N872 M873 N878 K879 N880	N872-N876 WeakPolarHBondContact O-CB 3.38Å; N872-N876 PolarHBondContact O-N 3.25Å; M873-N876 PolarHBondContact O-N 3.32Å; N876-N878 VanDerWaalsContact C-N 3.35Å; N876-K879 PolarHBondContact O-N 3.12Å; N876-N880 PolarHBondContact O-N 3.14Å
877	S	56.4	Low	61.3	Low	66 Å²	66	122.1 Å²	122.1	46%	0.462	61%	0.613	S	S	.	*	H	α-helix	trans	-62.2	-43.2	171.5	-175.8	0	0	0	0	110.8	M873 K879 N880 N881	M873-S877 WeakPolarHBondContact O-CB 3.25Å; M873-S877 PolarHBondContact O-N 2.92Å; S877-K879 VanDerWaalsContact C-N 3.31Å; S877-K879 PolarHBondContact O-N 3.06Å; S877-N880 PolarHBondContact O-N 2.89Å; S877-N881 PolarHBondContact O-N 3.34Å; S877-N881 VanDerWaalsContact O-N 3.12Å
878	N	56.6	Low	60.1	Low	113 Å²	113	119.9 Å²	119.9	60%	0.604	61%	0.613	S	S	*	*	H	α-helix	trans	-65.3	-29.8	172.6	-83	-10.7	0	0	0	113.6	D874 N876	D874-N878 WeakPolarHBondContact O-CB 3.43Å; D874-N878 PolarHBondContact O-N 3.39Å; D874-N878 VanDerWaalsContact O-N 3.12Å; N876-N878 VanDerWaalsContact C-N 3.35Å
879	K	55.1	Low	58.9	Low	149 Å²	149	118.9 Å²	118.9	65%	0.648	62%	0.619	S	S	*	*	H	α-helix	trans	-72.9	-41	172.9	-94.6	-178.1	173.9	177.7	0	112.8	T875 N876 S877 N882	T875-K879 PolarHBondContact O-N 3.06Å; N876-K879 PolarHBondContact O-N 3.12Å; S877-K879 VanDerWaalsContact C-N 3.31Å; S877-K879 PolarHBondContact O-N 3.06Å; K879-N882 PolarHBondContact O-N 3.14Å
880	N	55.4	Low	58.1	Low	122 Å²	122	124 Å²	124	65%	0.652	64%	0.641	S	S	*	*	H	α-helix	trans	-71.9	-30.9	-178.3	-78.2	-4.3	0	0	0	113.1	N876 S877 N882 N883	N876-N880 PolarHBondContact O-N 3.14Å; S877-N880 PolarHBondContact O-N 2.89Å; N880-N882 PolarHBondContact O-N 3.48Å; N880-N883 PolarHBondContact O-N 3.38Å
881	N	56.5	Low	57.2	Low	121 Å²	121	119.9 Å²	119.9	65%	0.647	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-17.8	173.8	-85.1	-9.7	0	0	0	114	S877	S877-N881 PolarHBondContact O-N 3.34Å; S877-N881 VanDerWaalsContact O-N 3.12Å
882	N	55.8	Low	56.6	Low	132 Å²	132	120.2 Å²	120.2	71%	0.706	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	177.6	-83.9	-5.8	0	0	0	114.3	K879 N880	K879-N882 PolarHBondContact O-N 3.14Å; N880-N882 PolarHBondContact O-N 3.48Å
883	N	54.2	Low	56	Low	144 Å²	144	122.5 Å²	122.5	77%	0.77	66%	0.66	S	S	*	*	S	Bend	trans	-102.7	8.4	178.7	-75	0.6	0	0	0	113.7	N880	N880-N883 PolarHBondContact O-N 3.38Å
884	G	54.4	Low	55.6	Low	71 Å²	71	121.3 Å²	121.3	73%	0.732	66%	0.658	S	S	*	*			trans	-113	8.2	-178.6	0	0	0	0	0	115.9
885	K	47.2	Very low	55.1	Low	259 Å²	259	122.7 Å²	122.7	100%	1.126	67%	0.667	S	S	*	*			trans	-106.3	0	165.6	-76.9	-174.5	178.3	179.3	0	108.5

Retrieved 885 of 885 residues in 1319.4 ms (Link to these results)

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