A0A077YZN2_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077YZN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 887 aa.

						>A0A077YZN2_TRITR|A0A077YZN2
MRFGSGTYNVRESEMTGESIRIPHRPILCDVHFLDGTQRVFEVEKHALGQELLERVYDHLELIEKDYFGLQFTDLSPDPGRWLEPAKSIRKQMQCPPYILHFRVKFYVSDPSKLLEEYTRYHFYLQLRKDIADGRLICSESSVIVLASYAVQSELGDHNTEEHREAYLETFHFAPNQTPAIMRKVAELHRQHRLEPTLSTIFWTTQNLARLFALFIGVASFGVGIFQRAVKTKTFLWSRIMKLSFKRKQFFIQLKSEAVRTVQCFTLSSTRTSKMLWKSCIEHHTFFRLISPPAPSAKALFTFGSQFRYSGRTEHQTLEEMKKRARIGKTFCRSVIFKVFLPIFVEYIMALFSELVPSPSNSDGNAVVGKSDNPPSCRRMPTYELPSVVHGSDGSTSGQSSRAVLNSLPGAGRPVDFKDALIYQHCTGASTSTASPVVCRSSGRYGGMLASPGQSSAAGNGCSASTSLFNGFHGSFAGDDTLVSIRMRPDSQGRFGFNVKGGYDQNYPIIVSRVIPGSPADTCLPRLNEGDQVLAINRVEVSQCTHEQVVRYIRSCKETASKELLLIVRPNAYIGEDIEEPDQHYIPQTPHVADCVPRPDILRQSLILLKDSLASGSALLYFDKLYRKSPLMTMNIAKYPENLSKNRYRDISPYDKTRVVIQNGQSGDYINASFVNMEIPTSGIVNRYIAAQGPLPHTTTDFWQVVWEQLCHTVVMLTATVERGRVKCHQYWPNLYETQHHGRLEITCVRESETYIGAIRELSVICSEEERLISHMQYSAWPDHGVPDDPRELIDFIVDVRRSRTGMVEPVLVHCSAGIGRTGVLILLETAMCLIEASEPIYPLEIVKSMRDQRAMLIQNAAQYKFACEAILKIYHGIVKPLEEYLR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	39.6	Very low	239 Å²	239	152.4 Å²	152.4	100%	1.177	80%	0.796	S	S	*	*				0	135.7	0	-69.1	177.4	-163.4	0	0	108
2	R	33.1	Very low	40.1	Very low	251 Å²	251	152.1 Å²	152.1	95%	0.947	79%	0.788	S	S	*	*			trans	-61.5	137.8	-169.8	-78.7	178.6	173.4	173.1	-2.6	112.3	G4	R2-G4 PolarHBondContact O-N 2.54Å
3	F	36.8	Very low	40.3	Very low	209 Å²	209	145.7 Å²	145.7	92%	0.917	76%	0.764	S	S	*	*			trans	-63.5	109.6	169.1	-71.8	-91.2	0	0	0	109.6	S5	F3-S5 PolarHBondContact O-N 2.77Å
4	G	35.1	Very low	40.8	Very low	75 Å²	75	145.8 Å²	145.8	77%	0.773	76%	0.759	S	S	*	*			trans	-77.1	110.5	171.7	0	0	0	0	0	109.9	R2 G6	R2-G4 PolarHBondContact O-N 2.54Å; G4-G6 PolarHBondContact O-N 3.28Å
5	S	36.7	Very low	40.8	Very low	117 Å²	117	147 Å²	147	82%	0.818	76%	0.762	S	S	*	*			trans	-72.4	74.2	167.3	59.7	0	0	0	0	109.6	F3 T7	F3-S5 PolarHBondContact O-N 2.77Å; S5-T7 PolarHBondContact O-N 3.02Å
6	G	36.8	Very low	40.8	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	76%	0.764	S	S	*	*			trans	-81.1	94.3	168.4	0	0	0	0	0	109.1	G4 Y8	G4-G6 PolarHBondContact O-N 3.28Å; G6-Y8 VanDerWaalsContact C-N 3.31Å; G6-Y8 PolarHBondContact O-N 2.94Å
7	T	39.1	Very low	40.6	Very low	137 Å²	137	140.3 Å²	140.3	84%	0.84	75%	0.75	S	S	*	*			trans	-63.9	93.7	165.5	42.6	0	0	0	0	108.3	S5 N9	S5-T7 PolarHBondContact O-N 3.02Å; T7-N9 PolarHBondContact O-N 2.85Å; T7-N9 VanDerWaalsContact O-N 3.09Å
8	Y	43.1	Very low	40.4	Very low	193 Å²	193	144.1 Å²	144.1	76%	0.757	76%	0.762	S	S	*	*			trans	-73	99.4	173.1	-159.4	-93.7	0	0	0	108.1	G6 V10	G6-Y8 VanDerWaalsContact C-N 3.31Å; G6-Y8 PolarHBondContact O-N 2.94Å; Y8-V10 HydrophobicContact CD1-CG2 4.27Å; Y8-V10 PolarHBondContact O-N 3.27Å; Y8-V10 VanDerWaalsContact O-N 3.09Å
9	N	42.4	Very low	40.4	Very low	108 Å²	108	141.5 Å²	141.5	58%	0.578	76%	0.757	S	S	*	*			trans	-80.1	88.4	-177.6	-161.1	-2.5	0	0	0	108.9	T7 R11 E12	T7-N9 PolarHBondContact O-N 2.85Å; T7-N9 VanDerWaalsContact O-N 3.09Å; N9-R11 PolarHBondContact O-N 2.83Å; N9-E12 PolarHBondContact O-N 3.21Å
10	V	51.2	Low	40.4	Very low	81 Å²	81	141.6 Å²	141.6	49%	0.491	76%	0.756	S	S	.	*	H	α-helix	trans	-52	-25.5	-177	-179.2	0	0	0	0	112.5	Y8 E12 S13 E14	Y8-V10 HydrophobicContact CD1-CG2 4.27Å; Y8-V10 PolarHBondContact O-N 3.27Å; Y8-V10 VanDerWaalsContact O-N 3.09Å; V10-E12 VanDerWaalsContact C-N 3.35Å; V10-E12 PolarHBondContact O-N 3.48Å; V10-S13 PolarHBondContact O-N 3.38Å; V10-S13 VanDerWaalsContact O-N 3.17Å; V10-S13 PolarHBondContact O-OG 2.96Å; V10-E14 PolarHBondContact O-N 3.37Å
11	R	45.4	Very low	40.5	Very low	196 Å²	196	146 Å²	146	74%	0.74	76%	0.762	S	S	*	*	H	α-helix	trans	-68.3	-27.4	-175.9	-143.8	170.1	-175.2	160.2	-0.2	114.4	N9	N9-R11 PolarHBondContact O-N 2.83Å
12	E	45	Very low	40.8	Very low	149 Å²	149	141.3 Å²	141.3	70%	0.696	74%	0.74	S	S	*	*	H	α-helix	trans	-76.6	-27.1	174.3	-81.9	-174.7	165.9	0	0	112.4	N9 V10 E14	N9-E12 PolarHBondContact O-N 3.21Å; V10-E12 VanDerWaalsContact C-N 3.35Å; V10-E12 PolarHBondContact O-N 3.48Å; E12-E14 VanDerWaalsContact C-N 3.26Å; E12-E14 PolarHBondContact O-N 2.83Å
13	S	43.5	Very low	41.6	Very low	69 Å²	69	134.5 Å²	134.5	48%	0.483	73%	0.729	S	S	.	*	H	α-helix	trans	-75.3	-14.5	174.9	70.7	0	0	0	0	113.8	V10	V10-S13 PolarHBondContact O-N 3.38Å; V10-S13 VanDerWaalsContact O-N 3.17Å; V10-S13 PolarHBondContact O-OG 2.96Å
14	E	47.1	Very low	42.7	Very low	147 Å²	147	131.1 Å²	131.1	69%	0.687	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-14.1	179	-70	-173.9	160.2	0	0	113.5	V10 E12	V10-E14 PolarHBondContact O-N 3.37Å; E12-E14 VanDerWaalsContact C-N 3.26Å; E12-E14 PolarHBondContact O-N 2.83Å
15	M	41.2	Very low	44.5	Very low	164 Å²	164	137.9 Å²	137.9	81%	0.808	72%	0.718	S	S	*	*	S	Bend	trans	-101.9	-9.3	-173.8	-70.1	-155.9	67.5	0	0	115.7
16	T	40.2	Very low	46.9	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	70%	0.695	S	S	*	*	S	Bend	trans	-117.5	16.4	-173	47.3	0	0	0	0	115.2
17	G	36.8	Very low	49.3	Very low	51 Å²	51	131.9 Å²	131.9	53%	0.526	66%	0.663	S	S	.	*			trans	-129.8	100	172.1	0	0	0	0	0	111.8	S19	G17-S19 PolarHBondContact O-N 2.86Å
18	E	38.2	Very low	51.9	Low	208 Å²	208	130.2 Å²	130.2	97%	0.972	65%	0.648	S	S	*	*			trans	-64.5	43.7	148.7	-70.1	-173.9	146.1	0	0	110.4	I20	E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.85Å
19	S	39.5	Very low	54.4	Low	95 Å²	95	121 Å²	121	66%	0.664	61%	0.612	S	S	*	*			trans	-72.9	92.7	-178.7	-164	0	0	0	0	106.7	G17 R21	G17-S19 PolarHBondContact O-N 2.86Å; S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.14Å
20	I	41.4	Very low	57	Low	144 Å²	144	117.9 Å²	117.9	74%	0.738	60%	0.595	S	S	*	*			trans	30.3	85.2	137.1	-55.8	164.2	0	0	0	109.6	E18 I22	E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.85Å; I20-I22 VanDerWaalsContact C-N 3.27Å; I20-I22 PolarHBondContact O-N 2.88Å
21	R	41.4	Very low	59.2	Low	233 Å²	233	114 Å²	114	88%	0.879	57%	0.572	S	S	*	*			trans	-52.2	98.6	174.2	-68.8	-177.9	-168.6	-173.4	3.6	106.9	S19 P23	S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.14Å; R21-P23 WeakPolarHBondContact O-CD 3.43Å
22	I	43.4	Very low	61.6	Low	141 Å²	141	107.2 Å²	107.2	72%	0.723	55%	0.548	S	S	*	.			trans	-54.8	114.5	168.8	-62.3	166.7	0	0	0	103.2	I20 H24	I20-I22 VanDerWaalsContact C-N 3.27Å; I20-I22 PolarHBondContact O-N 2.88Å; I22-H24 PolarHBondContact O-N 2.85Å
23	P	48.5	Very low	64.1	Low	108 Å²	108	100.7 Å²	100.7	70%	0.701	52%	0.518	S	S	*	.			trans	-55.7	117.3	-175.8	4.7	-7.8	0	0	0	106.2	R21 R25	R21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-R25 VanDerWaalsContact C-N 3.31Å; P23-R25 PolarHBondContact O-N 2.88Å
24	H	60.2	Low	66.4	Low	139 Å²	139	97.9 Å²	97.9	64%	0.644	50%	0.497	S	S	*	.			trans	-59.7	99.3	-177.6	-79.2	-93.8	0	0	0	106.6	I22 P26	I22-H24 PolarHBondContact O-N 2.85Å; H24-P26 WeakPolarHBondContact O-CD 3.37Å
25	R	74.1	Confident	68.3	Low	217 Å²	217	93.8 Å²	93.8	82%	0.819	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-56.4	119.9	-176.3	-81.4	-174	-179.3	174	0.4	108.2	P23	P23-R25 VanDerWaalsContact C-N 3.31Å; P23-R25 PolarHBondContact O-N 2.88Å
26	P	86.4	Confident	70.6	Confident	53 Å²	53	89.2 Å²	89.2	34%	0.344	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-65	162.4	-179.7	30.8	-39	0	0	0	110.2	H24 E42	H24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-E42 HydrophobicContact CB-CG 3.33Å; P26-E42 VanDerWaalsContact CB-OE1 3.24Å; P26-E42 WeakPolarHBondContact CB-OE1 3.43Å; P26-E42 HydrophobicContact CG-CG 3.75Å; P26-E42 WeakPolarHBondContact CG-OE1 3.3Å
27	I	88.3	Confident	73.2	Confident	7 Å²	7	86.3 Å²	86.3	4%	0.036	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.9	169.2	-62.1	173.5	0	0	0	107.1	V43 K45 R90 Y98	I27-V43 HydrophobicContact CB-CG2 3.84Å; I27-V43 HydrophobicContact CG2-CG2 4.29Å; I27-V43 PolarHBondContact N-O 2.7Å; I27-V43 PolarHBondContact O-N 2.78Å; I27-K45 WeakPolarHBondContact CD1-O 3.36Å; I27-R90 HydrophobicContact CD1-CB 4.37Å; I27-Y98 HydrophobicContact CG2-CD1 4.42Å; I27-Y98 HydrophobicContact CG2-CD2 3.52Å; I27-Y98 HydrophobicContact CG2-CE1 4.44Å; I27-Y98 HydrophobicContact CG2-CE2 3.53Å; I27-Y98 HydrophobicContact CG2-CG 4Å
28	L	93.4	Very high	75.9	Confident	102 Å²	102	89.3 Å²	89.3	53%	0.534	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.6	171.9	-58.6	-179.8	0	0	0	108.6	V40 E42	L28-V40 HydrophobicContact CB-CG1 3.94Å; L28-V40 HydrophobicContact CD2-CG1 4.28Å; L28-E42 HydrophobicContact CD2-CB 4.28Å; L28-E42 HydrophobicContact CD2-CG 4.11Å
29	C	95.2	Very high	78.7	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.1	178.4	-60.4	0	0	0	0	109.3	V40 F41 L52 Y98 L100	C29-V40 CarbonylContact O-C 3.58Å; C29-V40 WeakPolarHBondContact O-CA 3.38Å; C29-F41 PolarHBondContact N-O 2.81Å; C29-F41 PolarHBondContact O-N 2.98Å; C29-L52 HydrophobicContact CB-CD1 3.98Å; C29-L52 HydrophobicContact CB-CD2 3.9Å; C29-Y98 CarbonylContact C-O 3.5Å; C29-Y98 WeakPolarHBondContact CA-O 3.35Å; C29-L100 HydrophobicContact CB-CD1 3.96Å
30	D	95.8	Very high	81.5	Confident	42 Å²	42	84.5 Å²	84.5	23%	0.225	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.7	177.1	-164.1	-0.5	0	0	0	109.8	V40 Y98 I99 L100	D30-V40 HydrophobicContact CB-CG2 4.38Å; D30-Y98 PolarHBondContact N-O 3.27Å; D30-I99 CarbonylContact O-C 3.56Å; D30-I99 WeakPolarHBondContact O-CA 3.33Å; D30-L100 PolarHBondContact O-N 2.91Å
31	V	97.7	Very high	84.1	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.8	-175	-179.4	0	0	0	0	109.4	F33 Q38 R39 F41 L52 V56 L70 L100	V31-F33 HydrophobicContact CB-CE2 4.35Å; V31-F33 HydrophobicContact CB-CZ 4.28Å; V31-F33 HydrophobicContact CG1-CE1 4.08Å; V31-F33 HydrophobicContact CG1-CE2 4.11Å; V31-F33 HydrophobicContact CG1-CZ 3.76Å; V31-F33 WeakPolarHBondContact O-CE2 3.37Å; V31-Q38 CarbonylContact O-C 3.56Å; V31-Q38 VanDerWaalsContact O-CA 3.22Å; V31-Q38 WeakPolarHBondContact O-CA 3.42Å; V31-R39 PolarHBondContact N-O 2.86Å; V31-R39 PolarHBondContact O-N 2.94Å; V31-F41 HydrophobicContact CB-CD2 4.03Å; V31-F41 HydrophobicContact CB-CE2 3.91Å; V31-F41 HydrophobicContact CG2-CD2 3.65Å; V31-F41 HydrophobicContact CG2-CE2 3.97Å; V31-L52 HydrophobicContact CG2-CD1 4.47Å; V31-V56 HydrophobicContact CG1-CG2 4.23Å; V31-V56 HydrophobicContact CG2-CG2 4.05Å; V31-L70 HydrophobicContact CG1-CD2 3.73Å; V31-L100 CarbonylContact C-O 3.47Å; V31-L100 WeakPolarHBondContact CA-O 3.45Å; V31-L100 HydrophobicContact CG2-CB 4.41Å; V31-L100 HydrophobicContact CG2-CD1 4.48Å
32	H	96.6	Very high	86.6	Confident	53 Å²	53	73 Å²	73	25%	0.245	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.4	173.1	-63.7	-102.3	0	0	0	111	Q38 L100 H101 F102	H32-Q38 PolarHBondContact CE1-OE1 2.85Å; H32-L100 PolarHBondContact N-O 2.78Å; H32-H101 WeakPolarHBondContact O-CA 3.38Å; H32-F102 PolarHBondContact O-N 2.93Å
33	F	97	Very high	89	Confident	13 Å²	13	66.4 Å²	66.4	6%	0.057	34%	0.344	C	S	.	.			trans	-99.1	170.5	-178.2	-64.6	-81	0	0	0	112.7	V31 D35 G36 T37 R39 F41 V56 H59 L60 F102	V31-F33 HydrophobicContact CB-CE2 4.35Å; V31-F33 HydrophobicContact CB-CZ 4.28Å; V31-F33 HydrophobicContact CG1-CE1 4.08Å; V31-F33 HydrophobicContact CG1-CE2 4.11Å; V31-F33 HydrophobicContact CG1-CZ 3.76Å; V31-F33 WeakPolarHBondContact O-CE2 3.37Å; F33-D35 VanDerWaalsContact C-N 3.33Å; F33-D35 WeakPolarHBondContact CB-OD1 3.43Å; F33-G36 PolarHBondContact O-N 2.9Å; F33-T37 PolarHBondContact N-O 3.09Å; F33-R39 HydrophobicContact CE2-CB 3.85Å; F33-F41 HydrophobicContact CE2-CE2 4.38Å; F33-F41 AromaticContact CZ-CE2 3.96Å; F33-F41 HydrophobicContact CZ-CE2 3.96Å; F33-F41 HydrophobicContact CZ-CZ 4.16Å; F33-V56 HydrophobicContact CE1-CG1 3.84Å; F33-V56 HydrophobicContact CZ-CG1 4.26Å; F33-H59 AromaticContact CE2-CD2 4Å; F33-H59 AromaticContact CZ-CD2 3.65Å; F33-L60 HydrophobicContact CD1-CD1 3.87Å; F33-L60 HydrophobicContact CD1-CD2 3.76Å; F33-L60 HydrophobicContact CD1-CG 4.16Å; F33-L60 HydrophobicContact CE1-CD1 3.71Å; F33-L60 HydrophobicContact CE1-CD2 3.77Å; F33-L60 HydrophobicContact CE1-CG 3.79Å; F33-F102 HydrophobicContact CD1-CB 3.84Å; F33-F102 HydrophobicContact CD1-CD1 4.37Å; F33-F102 HydrophobicContact CD1-CG 4.1Å; F33-F102 HydrophobicContact CE1-CB 4.26Å; F33-F102 HydrophobicContact CE1-CG 4.45Å
34	L	91.5	Very high	91	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.047	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20	-175.1	-71.7	172.4	0	0	0	113.6	F102 H122 L125 Q126	L34-F102 HydrophobicContact CD1-CD1 3.96Å; L34-F102 HydrophobicContact CD1-CE1 4.14Å; L34-F102 HydrophobicContact CG-CD1 4.11Å; L34-H122 HydrophobicContact CD1-CB 4.22Å; L34-H122 WeakPolarHBondContact CD1-O 3.2Å; L34-L125 HydrophobicContact CB-CB 3.85Å; L34-L125 HydrophobicContact CB-CD1 4.14Å; L34-Q126 HydrophobicContact CD1-CB 3.9Å; L34-Q126 HydrophobicContact CD2-CB 4.09Å
35	D	87.6	Confident	92.2	Very high	61 Å²	61	64.5 Å²	64.5	33%	0.326	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.3	174.1	61.7	3.3	0	0	0	112.9	F33 T37 L125	F33-D35 VanDerWaalsContact C-N 3.33Å; F33-D35 WeakPolarHBondContact CB-OD1 3.43Å; D35-T37 WeakPolarHBondContact OD1-CB 3.27Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.5Å; D35-T37 PolarHBondContact OD1-N 3.11Å; D35-T37 PolarHBondContact OD1-OG1 3.17Å; D35-T37 PolarHBondContact OD2-OG1 3.07Å; D35-L125 HydrophobicContact CB-CD1 4.06Å
36	G	88.7	Confident	92.8	Very high	68 Å²	68	60.1 Å²	60.1	70%	0.701	31%	0.314	S	S	*	.	S	Bend	trans	91.4	-5.7	-178.3	0	0	0	0	0	114.3	F33	F33-G36 PolarHBondContact O-N 2.9Å
37	T	94.8	Very high	93.2	Very high	68 Å²	68	57.8 Å²	57.8	42%	0.417	30%	0.299	S	S	.	.			trans	-73.5	162.6	173.9	68	0	0	0	0	111.3	F33 D35	F33-T37 PolarHBondContact N-O 3.09Å; D35-T37 WeakPolarHBondContact OD1-CB 3.27Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.5Å; D35-T37 PolarHBondContact OD1-N 3.11Å; D35-T37 PolarHBondContact OD1-OG1 3.17Å; D35-T37 PolarHBondContact OD2-OG1 3.07Å
38	Q	94.8	Very high	93.5	Very high	115 Å²	115	61.5 Å²	61.5	54%	0.537	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.5	173	67.3	-172.4	-20.9	0	0	110.3	V31 H32	V31-Q38 CarbonylContact O-C 3.56Å; V31-Q38 VanDerWaalsContact O-CA 3.22Å; V31-Q38 WeakPolarHBondContact O-CA 3.42Å; H32-Q38 PolarHBondContact CE1-OE1 2.85Å
39	R	97.1	Very high	93.5	Very high	120 Å²	120	56.6 Å²	56.6	45%	0.453	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.5	176.9	-173.6	173.4	177	160.7	2.5	110.7	V31 F33 F41 H59	V31-R39 PolarHBondContact N-O 2.86Å; V31-R39 PolarHBondContact O-N 2.94Å; F33-R39 HydrophobicContact CE2-CB 3.85Å; R39-F41 HydrophobicContact CB-CD2 4.49Å; R39-F41 HydrophobicContact CB-CE2 3.84Å; R39-F41 HydrophobicContact CB-CZ 4.29Å; R39-F41 HydrophobicContact CG-CD2 4.43Å; R39-F41 HydrophobicContact CG-CE2 3.96Å; R39-F41 HydrophobicContact CG-CZ 4.12Å; R39-F41 WeakPolarHBondContact O-CD2 3.28Å; R39-H59 VanDerWaalsContact CD-CD2 3.46Å; R39-H59 WeakPolarHBondContact CD-CD2 3.46Å; R39-H59 WeakPolarHBondContact CD-NE2 3.27Å; R39-H59 PolarHBondContact NH1-CE1 2.89Å; R39-H59 VanDerWaalsContact NH1-CG 3.34Å; R39-H59 PolarHBondContact NH1-ND1 2.84Å
40	V	97.3	Very high	93.5	Very high	82 Å²	82	60.2 Å²	60.2	50%	0.497	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.6	171.8	-176.5	0	0	0	0	109.6	L28 C29 D30	L28-V40 HydrophobicContact CB-CG1 3.94Å; L28-V40 HydrophobicContact CD2-CG1 4.28Å; C29-V40 CarbonylContact O-C 3.58Å; C29-V40 WeakPolarHBondContact O-CA 3.38Å; D30-V40 HydrophobicContact CB-CG2 4.38Å
41	F	97.1	Very high	93.5	Very high	12 Å²	12	60.9 Å²	60.9	5%	0.053	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.6	174.9	-67.8	-91.9	0	0	0	110.4	C29 V31 F33 R39 L52 R55 V56 H59	C29-F41 PolarHBondContact N-O 2.81Å; C29-F41 PolarHBondContact O-N 2.98Å; V31-F41 HydrophobicContact CB-CD2 4.03Å; V31-F41 HydrophobicContact CB-CE2 3.91Å; V31-F41 HydrophobicContact CG2-CD2 3.65Å; V31-F41 HydrophobicContact CG2-CE2 3.97Å; F33-F41 HydrophobicContact CE2-CE2 4.38Å; F33-F41 AromaticContact CZ-CE2 3.96Å; F33-F41 HydrophobicContact CZ-CE2 3.96Å; F33-F41 HydrophobicContact CZ-CZ 4.16Å; R39-F41 HydrophobicContact CB-CD2 4.49Å; R39-F41 HydrophobicContact CB-CE2 3.84Å; R39-F41 HydrophobicContact CB-CZ 4.29Å; R39-F41 HydrophobicContact CG-CD2 4.43Å; R39-F41 HydrophobicContact CG-CE2 3.96Å; R39-F41 HydrophobicContact CG-CZ 4.12Å; R39-F41 WeakPolarHBondContact O-CD2 3.28Å; F41-L52 HydrophobicContact CB-CD1 3.62Å; F41-L52 HydrophobicContact CD2-CD1 4.38Å; F41-L52 HydrophobicContact CG-CD1 4.03Å; F41-R55 HydrophobicContact CD1-CB 3.81Å; F41-R55 HydrophobicContact CE1-CB 4.07Å; F41-R55 WeakPolarHBondContact CE1-O 3.46Å; F41-V56 HydrophobicContact CD2-CG2 4.03Å; F41-V56 HydrophobicContact CE1-CG2 4.24Å; F41-V56 HydrophobicContact CE2-CG2 3.66Å; F41-V56 HydrophobicContact CG-CG2 4.47Å; F41-V56 HydrophobicContact CZ-CB 4.42Å; F41-V56 HydrophobicContact CZ-CG2 3.75Å; F41-H59 HydrophobicContact CE1-CB 4.04Å; F41-H59 HydrophobicContact CZ-CB 3.89Å; F41-H59 AromaticContact CZ-CD2 3.77Å
42	E	94.3	Very high	93.5	Very high	122 Å²	122	60.9 Å²	60.9	57%	0.57	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.8	173.4	-166	-178.3	150.6	0	0	109.8	P26 L28	P26-E42 HydrophobicContact CB-CG 3.33Å; P26-E42 VanDerWaalsContact CB-OE1 3.24Å; P26-E42 WeakPolarHBondContact CB-OE1 3.43Å; P26-E42 HydrophobicContact CG-CG 3.75Å; P26-E42 WeakPolarHBondContact CG-OE1 3.3Å; L28-E42 HydrophobicContact CD2-CB 4.28Å; L28-E42 HydrophobicContact CD2-CG 4.11Å
43	V	93.2	Very high	93.5	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.8	177.1	-55.4	0	0	0	0	110.7	I27 A47 L52 I89	I27-V43 HydrophobicContact CB-CG2 3.84Å; I27-V43 HydrophobicContact CG2-CG2 4.29Å; I27-V43 PolarHBondContact N-O 2.7Å; I27-V43 PolarHBondContact O-N 2.78Å; V43-A47 HydrophobicContact CB-CB 3.76Å; V43-A47 HydrophobicContact CG2-CB 3.93Å; V43-L52 HydrophobicContact CG1-CB 4.28Å; V43-L52 HydrophobicContact CG1-CD1 4.11Å; V43-I89 HydrophobicContact CB-CD1 4.48Å; V43-I89 HydrophobicContact CG2-CD1 3.7Å
44	E	91	Very high	93.5	Very high	136 Å²	136	60.8 Å²	60.8	64%	0.636	31%	0.311	S	S	*	.			trans	-62.3	155.3	180	-66.1	-170.5	175.5	0	0	112.5	H46 A47	E44-H46 PolarHBondContact O-N 2.9Å; E44-A47 HydrophobicContact CB-CB 4.39Å; E44-A47 WeakPolarHBondContact O-CB 3.37Å; E44-A47 PolarHBondContact O-N 3.24Å
45	K	84.3	Confident	93.8	Very high	71 Å²	71	65.1 Å²	65.1	31%	0.309	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-31	-178.4	-169.1	-176.2	175.3	-177.2	0	114.3	I27 R90	I27-K45 WeakPolarHBondContact CD1-O 3.36Å; K45-R90 VanDerWaalsContact CG-NH2 3.26Å
46	H	88	Confident	94.3	Very high	126 Å²	126	62.2 Å²	62.2	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	11.6	-177.1	-61	-66.9	0	0	0	113.2	E44	E44-H46 PolarHBondContact O-N 2.9Å
47	A	93.2	Very high	94.6	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	28%	0.282	C	S	.	.			trans	-52.5	137.4	-178.8	0	0	0	0	0	112.3	V43 E44 E51 S88 I89	V43-A47 HydrophobicContact CB-CB 3.76Å; V43-A47 HydrophobicContact CG2-CB 3.93Å; E44-A47 HydrophobicContact CB-CB 4.39Å; E44-A47 WeakPolarHBondContact O-CB 3.37Å; E44-A47 PolarHBondContact O-N 3.24Å; A47-E51 WeakPolarHBondContact CA-OE2 3.43Å; A47-E51 HydrophobicContact CB-CB 4.44Å; A47-E51 WeakPolarHBondContact CB-OE2 3.46Å; A47-S88 VanDerWaalsContact O-CA 3.28Å; A47-S88 WeakPolarHBondContact O-CA 3.47Å; A47-I89 HydrophobicContact CB-CD1 4.18Å; A47-I89 PolarHBondContact O-N 3.15Å
48	L	94.8	Very high	94.6	Very high	85 Å²	85	61.8 Å²	61.8	45%	0.445	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-77.2	155	171.9	-62.3	-178.5	0	0	0	109.9	Q50 E51	L48-Q50 PolarHBondContact O-N 3.35Å; L48-Q50 VanDerWaalsContact O-N 3.15Å; L48-E51 WeakPolarHBondContact O-CB 3.48Å; L48-E51 PolarHBondContact O-N 3.07Å
49	G	94.5	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-31.5	175.1	0	0	0	0	0	112.9	E51 L52 L53 P85 K87	G49-E51 VanDerWaalsContact C-N 3.27Å; G49-E51 PolarHBondContact O-N 3.31Å; G49-L52 PolarHBondContact O-N 2.82Å; G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 2.75Å; G49-P85 PolarHBondContact N-O 3.36Å; G49-K87 PolarHBondContact N-O 3.36Å
50	Q	95.3	Very high	94.6	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-56.6	-40.8	175	-173.6	69.3	38.4	0	0	112	L48 L52 L53 E54 P85	L48-Q50 PolarHBondContact O-N 3.35Å; L48-Q50 VanDerWaalsContact O-N 3.15Å; Q50-L52 PolarHBondContact O-N 2.8Å; Q50-L53 PolarHBondContact O-N 2.73Å; Q50-E54 HydrophobicContact CG-CG 4.36Å; Q50-E54 PolarHBondContact NE2-OE1 2.84Å; Q50-E54 WeakPolarHBondContact O-CG 3.39Å; Q50-E54 PolarHBondContact O-N 2.91Å; Q50-P85 HydrophobicContact CB-CB 3.98Å; Q50-P85 PolarHBondContact N-O 2.97Å
51	E	95.9	Very high	94.2	Very high	55 Å²	55	56.7 Å²	56.7	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-40.5	-176.2	-160.4	-167.3	136	0	0	111.6	A47 L48 G49 R55	A47-E51 WeakPolarHBondContact CA-OE2 3.43Å; A47-E51 HydrophobicContact CB-CB 4.44Å; A47-E51 WeakPolarHBondContact CB-OE2 3.46Å; L48-E51 WeakPolarHBondContact O-CB 3.48Å; L48-E51 PolarHBondContact O-N 3.07Å; G49-E51 VanDerWaalsContact C-N 3.27Å; G49-E51 PolarHBondContact O-N 3.31Å; E51-R55 VanDerWaalsContact CG-NH1 3.33Å; E51-R55 PolarHBondContact O-N 3.04Å; E51-R55 IonicContact OE1-CZ 3.31Å; E51-R55 VanDerWaalsContact OE1-CZ 3.31Å; E51-R55 IonicContact OE1-NH1 2.67Å; E51-R55 PolarHBondContact OE1-NH1 3.4Å; E51-R55 IonicContact OE1-NH2 3.02Å; E51-R55 PolarHBondContact OE1-NH2 2.9Å
52	L	97.4	Very high	93.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-40.8	174.1	178.9	61.1	0	0	0	111.5	C29 V31 F41 V43 G49 Q50 R55 V56 L70 L83 I89 L100	C29-L52 HydrophobicContact CB-CD1 3.98Å; C29-L52 HydrophobicContact CB-CD2 3.9Å; V31-L52 HydrophobicContact CG2-CD1 4.47Å; F41-L52 HydrophobicContact CB-CD1 3.62Å; F41-L52 HydrophobicContact CD2-CD1 4.38Å; F41-L52 HydrophobicContact CG-CD1 4.03Å; V43-L52 HydrophobicContact CG1-CB 4.28Å; V43-L52 HydrophobicContact CG1-CD1 4.11Å; G49-L52 PolarHBondContact O-N 2.82Å; Q50-L52 PolarHBondContact O-N 2.8Å; L52-R55 PolarHBondContact O-N 2.95Å; L52-V56 HydrophobicContact CD1-CG2 4.24Å; L52-V56 WeakPolarHBondContact O-CB 3.45Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 3.19Å; L52-L70 HydrophobicContact CD2-CD1 3.93Å; L52-L70 HydrophobicContact CG-CD1 3.84Å; L52-L83 HydrophobicContact CB-CD2 4.42Å; L52-L83 HydrophobicContact CD2-CD2 4Å; L52-L83 HydrophobicContact CG-CD2 4.5Å; L52-I89 HydrophobicContact CB-CD1 3.86Å; L52-I89 HydrophobicContact CD2-CD1 4.16Å; L52-L100 HydrophobicContact CD2-CD1 4.04Å; L52-L100 HydrophobicContact CD2-CD2 4.06Å
53	L	96.8	Very high	93.5	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-48.1	177.2	-73.1	166.5	0	0	0	111.3	G49 Q50 R55 V56 Y57 L70 L83 P85	G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 2.75Å; Q50-L53 PolarHBondContact O-N 2.73Å; L53-R55 PolarHBondContact O-N 2.78Å; L53-V56 PolarHBondContact O-N 3.02Å; L53-Y57 HydrophobicContact CB-CD2 4.24Å; L53-Y57 HydrophobicContact CB-CE2 3.72Å; L53-Y57 HydrophobicContact CD2-CE2 4.31Å; L53-Y57 WeakPolarHBondContact O-CD2 3.37Å; L53-Y57 PolarHBondContact O-N 3.34Å; L53-L70 HydrophobicContact CD2-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 3.89Å; L53-L70 HydrophobicContact CD2-CG 3.76Å; L53-L83 HydrophobicContact CD2-CD2 4.44Å; L53-L83 HydrophobicContact CG-CD2 4.14Å; L53-P85 HydrophobicContact CD1-CB 3.95Å; L53-P85 HydrophobicContact CD1-CG 3.72Å
54	E	96.1	Very high	93.4	Very high	58 Å²	58	52.6 Å²	52.6	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-45.9	177.9	-66.3	-61.2	172	0	0	111.8	Q50 V56 Y57 D58 K65	Q50-E54 HydrophobicContact CG-CG 4.36Å; Q50-E54 PolarHBondContact NE2-OE1 2.84Å; Q50-E54 WeakPolarHBondContact O-CG 3.39Å; Q50-E54 PolarHBondContact O-N 2.91Å; E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 3.12Å; E54-Y57 PolarHBondContact O-N 3.17Å; E54-D58 WeakPolarHBondContact O-CB 3.39Å; E54-D58 PolarHBondContact O-N 2.74Å; E54-K65 IonicContact OE1-NZ 2.83Å; E54-K65 IonicContact OE2-NZ 3.61Å; E54-K65 PolarHBondContact OE2-NZ 2.8Å
55	R	97.5	Very high	93.5	Very high	99 Å²	99	48.2 Å²	48.2	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-36.9	176.3	-72.9	-161	-178.7	86.3	-0.6	113.1	F41 E51 L52 L53 H59	F41-R55 HydrophobicContact CD1-CB 3.81Å; F41-R55 HydrophobicContact CE1-CB 4.07Å; F41-R55 WeakPolarHBondContact CE1-O 3.46Å; E51-R55 VanDerWaalsContact CG-NH1 3.33Å; E51-R55 PolarHBondContact O-N 3.04Å; E51-R55 IonicContact OE1-CZ 3.31Å; E51-R55 VanDerWaalsContact OE1-CZ 3.31Å; E51-R55 IonicContact OE1-NH1 2.67Å; E51-R55 PolarHBondContact OE1-NH1 3.4Å; E51-R55 IonicContact OE1-NH2 3.02Å; E51-R55 PolarHBondContact OE1-NH2 2.9Å; L52-R55 PolarHBondContact O-N 2.95Å; L53-R55 PolarHBondContact O-N 2.78Å; R55-H59 WeakPolarHBondContact O-CB 3.29Å; R55-H59 PolarHBondContact O-N 2.63Å
56	V	98	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-44.7	176.4	168.1	0	0	0	0	111.2	V31 F33 F41 L52 L53 E54 H59 L60 L70 F102	V31-V56 HydrophobicContact CG1-CG2 4.23Å; V31-V56 HydrophobicContact CG2-CG2 4.05Å; F33-V56 HydrophobicContact CE1-CG1 3.84Å; F33-V56 HydrophobicContact CZ-CG1 4.26Å; F41-V56 HydrophobicContact CD2-CG2 4.03Å; F41-V56 HydrophobicContact CE1-CG2 4.24Å; F41-V56 HydrophobicContact CE2-CG2 3.66Å; F41-V56 HydrophobicContact CG-CG2 4.47Å; F41-V56 HydrophobicContact CZ-CB 4.42Å; F41-V56 HydrophobicContact CZ-CG2 3.75Å; L52-V56 HydrophobicContact CD1-CG2 4.24Å; L52-V56 WeakPolarHBondContact O-CB 3.45Å; L52-V56 VanDerWaalsContact O-CG2 3.32Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 3.02Å; E54-V56 VanDerWaalsContact C-N 3.26Å; E54-V56 PolarHBondContact O-N 3.12Å; V56-H59 PolarHBondContact O-N 3.01Å; V56-L60 HydrophobicContact CG1-CD1 4.4Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.36Å; V56-L60 VanDerWaalsContact O-N 3.08Å; V56-L70 HydrophobicContact CG1-CD2 4.28Å; V56-L70 HydrophobicContact CG2-CD1 4.07Å; V56-F102 HydrophobicContact CG1-CD2 3.96Å; V56-F102 HydrophobicContact CG1-CE2 4.42Å
57	Y	96.1	Very high	94.3	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.078	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-38.8	178.7	-59.9	-39.3	0	0	0	112.2	L53 E54 L60 E61 L62 K65 F68 F102	L53-Y57 HydrophobicContact CB-CD2 4.24Å; L53-Y57 HydrophobicContact CB-CE2 3.72Å; L53-Y57 HydrophobicContact CD2-CE2 4.31Å; L53-Y57 WeakPolarHBondContact O-CD2 3.37Å; L53-Y57 PolarHBondContact O-N 3.34Å; E54-Y57 PolarHBondContact O-N 3.17Å; Y57-L60 CarbonylContact O-C 3.57Å; Y57-L60 PolarHBondContact O-N 2.87Å; Y57-E61 PolarHBondContact O-N 2.8Å; Y57-L62 PolarHBondContact O-N 3.12Å; Y57-L62 VanDerWaalsContact O-N 3.13Å; Y57-K65 HydrophobicContact CD1-CB 3.83Å; Y57-K65 HydrophobicContact CD2-CB 4.03Å; Y57-K65 HydrophobicContact CD2-CD 3.65Å; Y57-K65 HydrophobicContact CD2-CG 4.12Å; Y57-K65 HydrophobicContact CE1-CB 4.16Å; Y57-K65 HydrophobicContact CE2-CB 4.34Å; Y57-K65 HydrophobicContact CE2-CD 4.36Å; Y57-K65 HydrophobicContact CE2-CG 4.43Å; Y57-K65 HydrophobicContact CG-CB 3.76Å; Y57-K65 HydrophobicContact CG-CD 3.86Å; Y57-K65 HydrophobicContact CG-CG 4.29Å; Y57-F68 HydrophobicContact CE1-CB 4.2Å; Y57-F68 PolarHBondContact OH-O 3.47Å; Y57-F102 HydrophobicContact CD1-CE2 4.26Å; Y57-F102 HydrophobicContact CE1-CE2 4.02Å
58	D	94.8	Very high	94.4	Very high	108 Å²	108	39.9 Å²	39.9	58%	0.578	19%	0.189	S	C	*	.	H	α-helix	trans	-65.7	-40.2	174.5	-69.7	-17.9	0	0	0	111.1	E54 L60 E61	E54-D58 WeakPolarHBondContact O-CB 3.39Å; E54-D58 PolarHBondContact O-N 2.74Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 2.87Å; D58-E61 PolarHBondContact O-N 3.43Å; D58-E61 VanDerWaalsContact O-N 3.11Å
59	H	96.3	Very high	94.4	Very high	69 Å²	69	36.1 Å²	36.1	32%	0.319	17%	0.17	S	C	.	.	H	α-helix	trans	-60.2	-42.8	174.3	172.4	30.9	0	0	0	112.3	F33 R39 F41 R55 V56 E61	F33-H59 AromaticContact CE2-CD2 4Å; F33-H59 AromaticContact CZ-CD2 3.65Å; R39-H59 VanDerWaalsContact CD-CD2 3.46Å; R39-H59 WeakPolarHBondContact CD-CD2 3.46Å; R39-H59 WeakPolarHBondContact CD-NE2 3.27Å; R39-H59 PolarHBondContact NH1-CE1 2.89Å; R39-H59 VanDerWaalsContact NH1-CG 3.34Å; R39-H59 PolarHBondContact NH1-ND1 2.84Å; F41-H59 HydrophobicContact CE1-CB 4.04Å; F41-H59 HydrophobicContact CZ-CB 3.89Å; F41-H59 AromaticContact CZ-CD2 3.77Å; R55-H59 WeakPolarHBondContact O-CB 3.29Å; R55-H59 PolarHBondContact O-N 2.63Å; V56-H59 PolarHBondContact O-N 3.01Å; H59-E61 PolarHBondContact O-N 3.23Å
60	L	93.9	Very high	94.5	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.063	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.3	177.9	-65.1	176.6	0	0	0	112.6	F33 V56 Y57 D58 L62 F102 Y118	F33-L60 HydrophobicContact CD1-CD1 3.87Å; F33-L60 HydrophobicContact CD1-CD2 3.76Å; F33-L60 HydrophobicContact CD1-CG 4.16Å; F33-L60 HydrophobicContact CE1-CD1 3.71Å; F33-L60 HydrophobicContact CE1-CD2 3.77Å; F33-L60 HydrophobicContact CE1-CG 3.79Å; V56-L60 HydrophobicContact CG1-CD1 4.4Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.36Å; V56-L60 VanDerWaalsContact O-N 3.08Å; Y57-L60 CarbonylContact O-C 3.57Å; Y57-L60 PolarHBondContact O-N 2.87Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 2.87Å; L60-L62 HydrophobicContact CB-CB 4.38Å; L60-L62 HydrophobicContact CB-CD1 3.87Å; L60-L62 HydrophobicContact CB-CG 3.78Å; L60-L62 HydrophobicContact CD1-CD1 3.55Å; L60-L62 HydrophobicContact CD1-CG 4.37Å; L60-L62 HydrophobicContact CG-CD1 4.38Å; L60-L62 PolarHBondContact O-N 2.73Å; L60-F102 HydrophobicContact CD1-CD1 4.15Å; L60-F102 HydrophobicContact CD1-CD2 4.01Å; L60-F102 HydrophobicContact CD1-CE1 3.85Å; L60-F102 HydrophobicContact CD1-CE2 3.68Å; L60-F102 HydrophobicContact CD1-CG 4.23Å; L60-F102 HydrophobicContact CD1-CZ 3.6Å; L60-Y118 VanDerWaalsContact O-CE1 3.24Å; L60-Y118 WeakPolarHBondContact O-CE1 3.46Å
61	E	90.9	Very high	94.4	Very high	128 Å²	128	34.2 Å²	34.2	60%	0.598	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	28.2	-170.1	-57.2	-172.4	-172.7	0	0	113.7	Y57 D58 H59 I63 K329	Y57-E61 PolarHBondContact O-N 2.8Å; D58-E61 PolarHBondContact O-N 3.43Å; D58-E61 VanDerWaalsContact O-N 3.11Å; H59-E61 PolarHBondContact O-N 3.23Å; E61-I63 PolarHBondContact O-N 3.25Å; E61-K329 IonicContact OE2-NZ 3.73Å; E61-K329 PolarHBondContact OE2-NZ 2.94Å
62	L	88.7	Confident	94.1	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.047	15%	0.149	C	C	.	.			trans	-71.8	122.4	-173.4	-86	170.6	0	0	0	111.7	Y57 L60 K65 F68 F102 Y118	Y57-L62 PolarHBondContact O-N 3.12Å; Y57-L62 VanDerWaalsContact O-N 3.13Å; L60-L62 HydrophobicContact CB-CB 4.38Å; L60-L62 HydrophobicContact CB-CD1 3.87Å; L60-L62 HydrophobicContact CB-CG 3.78Å; L60-L62 HydrophobicContact CD1-CD1 3.55Å; L60-L62 HydrophobicContact CD1-CG 4.37Å; L60-L62 HydrophobicContact CG-CD1 4.38Å; L60-L62 PolarHBondContact O-N 2.73Å; L62-K65 HydrophobicContact CB-CB 4.26Å; L62-F68 HydrophobicContact CD1-CD2 4.1Å; L62-F68 HydrophobicContact CD1-CE2 4.21Å; L62-F68 HydrophobicContact CD2-CE2 4.27Å; L62-F102 HydrophobicContact CD1-CE1 4.22Å; L62-F102 HydrophobicContact CD1-CE2 4.1Å; L62-F102 HydrophobicContact CD1-CZ 3.4Å; L62-F102 VanDerWaalsContact CD1-CZ 3.4Å; L62-Y118 HydrophobicContact CD2-CD1 3.74Å; L62-Y118 HydrophobicContact CD2-CE1 4.25Å; L62-Y118 HydrophobicContact CD2-CG 4.47Å; L62-Y118 HydrophobicContact CG-CD1 4.34Å; L62-Y118 HydrophobicContact CG-CE1 4.45Å
63	I	87.6	Confident	93.1	Very high	42 Å²	42	36 Å²	36	22%	0.215	18%	0.176	C	C	.	.	S	Bend	trans	-79.1	-52.8	177.4	-60.2	172.5	0	0	0	110.3	E61 K65 E116 M321	E61-I63 PolarHBondContact O-N 3.25Å; I63-K65 PolarHBondContact O-N 3.05Å; I63-E116 WeakPolarHBondContact CB-OE1 3.48Å; I63-E116 WeakPolarHBondContact CG1-OE1 3.39Å; I63-E116 PolarHBondContact N-OE1 3.16Å; I63-E116 PolarHBondContact N-OE2 3.15Å; I63-M321 HydrophobicContact CB-SD 4.48Å; I63-M321 HydrophobicContact CG2-CE 4.23Å; I63-M321 HydrophobicContact CG2-SD 3.35Å; I63-M321 WeakPolarHBondContact CG2-SD 3.48Å
64	E	90.5	Very high	91.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-83.2	44.6	-179.7	-55.3	-175.8	106.1	0	0	112	D66 Y67 L115 E116 T119 M321	E64-D66 PolarHBondContact O-N 2.8Å; E64-D66 VanDerWaalsContact O-N 3.07Å; E64-Y67 HydrophobicContact CB-CD2 3.86Å; E64-Y67 HydrophobicContact CB-CE2 3.94Å; E64-Y67 WeakPolarHBondContact O-CD2 3.27Å; E64-Y67 PolarHBondContact O-N 2.84Å; E64-L115 PolarHBondContact OE1-N 2.75Å; E64-L115 PolarHBondContact OE2-N 3.03Å; E64-E116 HydrophobicContact CG-CB 4.03Å; E64-E116 PolarHBondContact N-OE2 2.81Å; E64-E116 VanDerWaalsContact N-OE2 3.12Å; E64-E116 VanDerWaalsContact OE2-CB 3.23Å; E64-E116 WeakPolarHBondContact OE2-CB 3.36Å; E64-E116 PolarHBondContact OE2-N 3.3Å; E64-T119 HydrophobicContact CB-CG2 4.06Å; E64-M321 HydrophobicContact CG-CE 3.9Å; E64-M321 HydrophobicContact CG-CG 4.03Å; E64-M321 HydrophobicContact CG-SD 3.85Å
65	K	94	Very high	90.1	Very high	44 Å²	44	42 Å²	42	19%	0.191	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-59.8	-21.7	-172.8	66.6	-170.5	-176.3	177	0	115.5	E54 Y57 L62 I63 Y67 F68	E54-K65 IonicContact OE1-NZ 2.83Å; E54-K65 IonicContact OE2-NZ 3.61Å; E54-K65 PolarHBondContact OE2-NZ 2.8Å; Y57-K65 HydrophobicContact CD1-CB 3.83Å; Y57-K65 HydrophobicContact CD2-CB 4.03Å; Y57-K65 HydrophobicContact CD2-CD 3.65Å; Y57-K65 HydrophobicContact CD2-CG 4.12Å; Y57-K65 HydrophobicContact CE1-CB 4.16Å; Y57-K65 HydrophobicContact CE2-CB 4.34Å; Y57-K65 HydrophobicContact CE2-CD 4.36Å; Y57-K65 HydrophobicContact CE2-CG 4.43Å; Y57-K65 HydrophobicContact CG-CB 3.76Å; Y57-K65 HydrophobicContact CG-CD 3.86Å; Y57-K65 HydrophobicContact CG-CG 4.29Å; L62-K65 HydrophobicContact CB-CB 4.26Å; I63-K65 PolarHBondContact O-N 3.05Å; K65-Y67 PolarHBondContact O-N 3.47Å; K65-F68 PolarHBondContact O-N 3.24Å; K65-F68 VanDerWaalsContact O-N 3.1Å
66	D	94.7	Very high	88.4	Confident	22 Å²	22	38.6 Å²	38.6	12%	0.118	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20.7	-175.9	-51.3	-73.9	0	0	0	113.4	E64 F68 F106 F286 R312 T317	E64-D66 PolarHBondContact O-N 2.8Å; E64-D66 VanDerWaalsContact O-N 3.07Å; D66-F68 PolarHBondContact O-N 3.42Å; D66-F106 VanDerWaalsContact O-CD2 3.28Å; D66-F106 WeakPolarHBondContact O-CD2 3.31Å; D66-F286 HydrophobicContact CB-CE2 3.93Å; D66-F286 HydrophobicContact CB-CZ 4.48Å; D66-R312 VanDerWaalsContact CG-NE 3.31Å; D66-R312 VanDerWaalsContact CG-NH2 3.32Å; D66-R312 IonicContact OD1-CZ 2.94Å; D66-R312 IonicContact OD1-NE 3.28Å; D66-R312 PolarHBondContact OD1-NE 3Å; D66-R312 IonicContact OD1-NH2 3.78Å; D66-R312 PolarHBondContact OD1-NH2 3.2Å; D66-R312 IonicContact OD2-CZ 3.37Å; D66-R312 IonicContact OD2-NE 3.21Å; D66-R312 PolarHBondContact OD2-NE 3.42Å; D66-R312 IonicContact OD2-NH2 2.71Å; D66-R312 PolarHBondContact OD2-NH2 2.8Å; D66-T317 VanDerWaalsContact CG-OG1 3.31Å; D66-T317 PolarHBondContact OD2-OG1 2.87Å
67	Y	93	Very high	86.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-73.6	-13	176.5	-65	-67	0	0	0	113.5	E64 K65 K105 F106 V108 L114 T119 F123 F286 E314 T317	E64-Y67 HydrophobicContact CB-CD2 3.86Å; E64-Y67 HydrophobicContact CB-CE2 3.94Å; E64-Y67 WeakPolarHBondContact O-CD2 3.27Å; E64-Y67 PolarHBondContact O-N 2.84Å; K65-Y67 PolarHBondContact O-N 3.47Å; Y67-K105 WeakPolarHBondContact O-CA 3.38Å; Y67-K105 PolarHBondContact O-N 3.31Å; Y67-F106 HydrophobicContact CD1-CB 4.23Å; Y67-F106 WeakPolarHBondContact CD1-O 3.41Å; Y67-F106 PolarHBondContact O-N 3.14Å; Y67-V108 HydrophobicContact CD1-CG1 3.99Å; Y67-V108 HydrophobicContact CE1-CG1 3.31Å; Y67-L114 HydrophobicContact CD2-CD2 4Å; Y67-L114 HydrophobicContact CE1-CD2 4.33Å; Y67-L114 HydrophobicContact CE2-CD2 3.7Å; Y67-L114 HydrophobicContact CG-CD2 4.44Å; Y67-T119 HydrophobicContact CD2-CG2 4.18Å; Y67-F123 HydrophobicContact CD1-CZ 4.36Å; Y67-F123 HydrophobicContact CG-CE2 4.29Å; Y67-F123 HydrophobicContact CG-CZ 4.21Å; Y67-F286 AromaticContact CD1-CE1 3.81Å; Y67-F286 HydrophobicContact CD1-CE1 3.81Å; Y67-F286 AromaticContact CD1-CZ 3.62Å; Y67-F286 HydrophobicContact CD1-CZ 3.62Å; Y67-F286 AromaticContact CE1-CE1 3.68Å; Y67-F286 HydrophobicContact CE1-CE1 3.68Å; Y67-F286 AromaticContact CE1-CZ 3.57Å; Y67-F286 HydrophobicContact CE1-CZ 3.57Å; Y67-F286 HydrophobicContact CG-CZ 4.48Å; Y67-E314 HydrophobicContact CE1-CG 4.47Å; Y67-T317 HydrophobicContact CE2-CG2 4.12Å
68	F	95.5	Very high	84.6	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	163.5	-169.3	-57.2	-84.6	0	0	0	112.7	Y57 L62 K65 D66 F102 R103 V104 T119 H122 F123	Y57-F68 HydrophobicContact CE1-CB 4.2Å; Y57-F68 PolarHBondContact OH-O 3.47Å; L62-F68 HydrophobicContact CD1-CD2 4.1Å; L62-F68 HydrophobicContact CD1-CE2 4.21Å; L62-F68 HydrophobicContact CD2-CE2 4.27Å; K65-F68 PolarHBondContact O-N 3.24Å; K65-F68 VanDerWaalsContact O-N 3.1Å; D66-F68 PolarHBondContact O-N 3.42Å; F68-F102 HydrophobicContact CB-CE1 4.37Å; F68-F102 HydrophobicContact CB-CE2 3.54Å; F68-F102 HydrophobicContact CB-CZ 3.42Å; F68-F102 VanDerWaalsContact CB-CZ 3.42Å; F68-F102 AromaticContact CD1-CE1 3.58Å; F68-F102 HydrophobicContact CD1-CE1 3.58Å; F68-F102 HydrophobicContact CD1-CE2 4.3Å; F68-F102 AromaticContact CD1-CZ 3.36Å; F68-F102 HydrophobicContact CD1-CZ 3.36Å; F68-F102 HydrophobicContact CD2-CZ 4.11Å; F68-F102 HydrophobicContact CE1-CE1 4.08Å; F68-F102 HydrophobicContact CE1-CZ 4.12Å; F68-F102 HydrophobicContact CG-CE1 4.08Å; F68-F102 HydrophobicContact CG-CE2 4.03Å; F68-F102 AromaticContact CG-CZ 3.35Å; F68-F102 HydrophobicContact CG-CZ 3.35Å; F68-R103 WeakPolarHBondContact CA-O 3.43Å; F68-V104 HydrophobicContact CD1-CG2 4.01Å; F68-V104 HydrophobicContact CE1-CG2 3.69Å; F68-T119 HydrophobicContact CE2-CG2 3.93Å; F68-T119 HydrophobicContact CZ-CG2 3.96Å; F68-H122 HydrophobicContact CE1-CB 3.52Å; F68-H122 HydrophobicContact CZ-CB 3.72Å; F68-F123 HydrophobicContact CE1-CD2 4.13Å; F68-F123 HydrophobicContact CE1-CE2 4.2Å; F68-F123 AromaticContact CZ-CD2 3.94Å; F68-F123 HydrophobicContact CZ-CD2 3.94Å; F68-F123 AromaticContact CZ-CE2 3.93Å; F68-F123 HydrophobicContact CZ-CE2 3.93Å
69	G	95.3	Very high	83.1	Confident	5 Å²	5	46.1 Å²	46.1	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	178	171.7	0	0	0	0	0	112.6	R103	G69-R103 PolarHBondContact N-O 3.2Å; G69-R103 PolarHBondContact O-N 3Å
70	L	96.8	Very high	82.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.5	174.8	-65.4	175.5	0	0	0	110.1	V31 L52 L53 V56 W82 L83 L100 H101 F102	V31-L70 HydrophobicContact CG1-CD2 3.73Å; L52-L70 HydrophobicContact CD2-CD1 3.93Å; L52-L70 HydrophobicContact CG-CD1 3.84Å; L53-L70 HydrophobicContact CD2-CB 4.2Å; L53-L70 HydrophobicContact CD2-CD1 3.89Å; L53-L70 HydrophobicContact CD2-CG 3.76Å; V56-L70 HydrophobicContact CG1-CD2 4.28Å; V56-L70 HydrophobicContact CG2-CD1 4.07Å; L70-W82 CarbonylContact O-C 3.59Å; L70-W82 WeakPolarHBondContact O-CA 3.28Å; L70-L83 HydrophobicContact CB-CB 4.05Å; L70-L83 HydrophobicContact CB-CD2 4.22Å; L70-L83 HydrophobicContact CD1-CD2 3.91Å; L70-L83 PolarHBondContact O-N 2.9Å; L70-L100 HydrophobicContact CB-CB 4.38Å; L70-L100 HydrophobicContact CB-CD2 3.96Å; L70-L100 HydrophobicContact CD1-CD2 4.23Å; L70-H101 WeakPolarHBondContact CA-O 3.42Å; L70-F102 HydrophobicContact CD2-CB 4.14Å; L70-F102 HydrophobicContact CD2-CD2 4.29Å
71	Q	92	Very high	81.7	Confident	36 Å²	36	45.1 Å²	45.1	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.4	175.5	-162.7	-176.6	30	0	0	109.9	G80 R81 W82 L100 H101 R103	Q71-G80 VanDerWaalsContact NE2-CA 3.32Å; Q71-G80 PolarHBondContact NE2-O 2.91Å; Q71-R81 CarbonylContact C-O 3.22Å; Q71-R81 VanDerWaalsContact CA-O 3.3Å; Q71-R81 WeakPolarHBondContact CA-O 3.4Å; Q71-W82 HydrophobicContact CB-CE3 4.14Å; Q71-W82 HydrophobicContact CB-CZ3 4.14Å; Q71-L100 CarbonylContact O-C 3.6Å; Q71-L100 WeakPolarHBondContact O-CA 3.32Å; Q71-H101 PolarHBondContact N-O 3.08Å; Q71-H101 PolarHBondContact O-N 2.91Å; Q71-R103 HydrophobicContact CB-CG 4.21Å
72	F	90.9	Very high	81.7	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.9	175.2	65.9	-86.7	0	0	0	110.6	G80 R81 L83 Q92 M93 I99 L100	F72-G80 CarbonylContact O-C 3.54Å; F72-G80 WeakPolarHBondContact O-CA 3.23Å; F72-R81 VanDerWaalsContact CD1-O 3.27Å; F72-R81 WeakPolarHBondContact CD1-O 3.35Å; F72-R81 HydrophobicContact CE1-CB 4.1Å; F72-R81 HydrophobicContact CE2-CB 4.24Å; F72-R81 HydrophobicContact CZ-CB 3.94Å; F72-R81 PolarHBondContact N-O 3.48Å; F72-R81 PolarHBondContact O-N 3.42Å; F72-L83 HydrophobicContact CE1-CD1 4.33Å; F72-Q92 HydrophobicContact CE1-CB 4.48Å; F72-Q92 WeakPolarHBondContact CE2-O 3.4Å; F72-Q92 HydrophobicContact CZ-CB 4.01Å; F72-Q92 WeakPolarHBondContact CZ-O 3.42Å; F72-M93 HydrophobicContact CB-CE 3.91Å; F72-M93 HydrophobicContact CB-SD 4.28Å; F72-M93 HydrophobicContact CD1-CG 4.27Å; F72-M93 HydrophobicContact CD1-SD 4.24Å; F72-M93 HydrophobicContact CD2-CE 4.19Å; F72-M93 HydrophobicContact CD2-CG 3.51Å; F72-M93 HydrophobicContact CD2-SD 4.14Å; F72-M93 HydrophobicContact CE1-CG 4.25Å; F72-M93 HydrophobicContact CE2-CG 3.47Å; F72-M93 VanDerWaalsContact CE2-CG 3.47Å; F72-M93 HydrophobicContact CG-CE 4.11Å; F72-M93 HydrophobicContact CG-CG 3.92Å; F72-M93 HydrophobicContact CG-SD 3.96Å; F72-M93 HydrophobicContact CZ-CG 3.86Å; F72-I99 WeakPolarHBondContact CB-O 3.29Å; F72-L100 HydrophobicContact CB-CD2 4.32Å; F72-L100 HydrophobicContact CB-CG 4.11Å; F72-L100 HydrophobicContact CD1-CD2 4.33Å
73	T	76.8	Confident	81.9	Confident	90 Å²	90	41.5 Å²	41.5	55%	0.552	23%	0.234	S	C	*	.			trans	-109.6	130.3	174.1	-46.2	0	0	0	0	107.7
74	D	66.2	Low	82.1	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.16	23%	0.229	C	C	.	.			trans	-90.3	-179.3	172.7	-162.3	-5.2	0	0	0	108.7	S76 Q94	D74-S76 PolarHBondContact O-N 3.23Å; D74-Q94 PolarHBondContact OD2-NE2 2.86Å
75	L	62.7	Low	82.2	Confident	163 Å²	163	41.5 Å²	41.5	85%	0.853	24%	0.235	S	C	*	.	S	Bend	trans	-57.7	2.1	173	-66.8	168.2	0	0	0	114.6
76	S	61	Low	82	Confident	26 Å²	26	43.2 Å²	43.2	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-93	145.3	178.1	72	0	0	0	0	112.1	D74 D78 R271	D74-S76 PolarHBondContact O-N 3.23Å; S76-D78 PolarHBondContact O-N 3.06Å; S76-R271 PolarHBondContact OG-NH1 3.4Å
77	P	56.4	Low	81.9	Confident	138 Å²	138	45.9 Å²	45.9	90%	0.896	27%	0.267	S	S	*	.	S	Bend	trans	-69.3	7.8	177.1	31.4	-37.6	0	0	0	114.4
78	D	59.5	Low	81.9	Confident	42 Å²	42	47.5 Å²	47.5	23%	0.225	28%	0.278	C	S	.	.	S	Bend	trans	-71.8	151.5	-179.3	-75.4	-38.9	0	0	0	111.1	S76 R271	S76-D78 PolarHBondContact O-N 3.06Å; D78-R271 VanDerWaalsContact OD2-CD 3.25Å; D78-R271 WeakPolarHBondContact OD2-CD 3.46Å; D78-R271 IonicContact OD2-CZ 2.69Å; D78-R271 VanDerWaalsContact OD2-CZ 3.22Å; D78-R271 IonicContact OD2-NE 3.57Å; D78-R271 PolarHBondContact OD2-NE 2.91Å; D78-R271 IonicContact OD2-NH1 2.86Å; D78-R271 PolarHBondContact OD2-NH1 2.83Å
79	P	62.8	Low	81.7	Confident	107 Å²	107	47.3 Å²	47.3	70%	0.695	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-54.7	150.7	170.2	23	-32.2	0	0	0	110.8	R81	P79-R81 PolarHBondContact O-N 3.2Å
80	G	74	Confident	81.4	Confident	17 Å²	17	52.3 Å²	52.3	18%	0.175	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-51.1	138	-176.7	0	0	0	0	0	112.2	Q71 F72	Q71-G80 VanDerWaalsContact NE2-CA 3.32Å; Q71-G80 PolarHBondContact NE2-O 2.91Å; F72-G80 CarbonylContact O-C 3.54Å; F72-G80 WeakPolarHBondContact O-CA 3.23Å
81	R	85.5	Confident	81	Confident	42 Å²	42	60.4 Å²	60.4	16%	0.158	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136	-178.4	-70.1	174.3	57	-141.4	-11	110.2	Q71 F72 P79 Q92	Q71-R81 CarbonylContact C-O 3.22Å; Q71-R81 VanDerWaalsContact CA-O 3.3Å; Q71-R81 WeakPolarHBondContact CA-O 3.4Å; F72-R81 VanDerWaalsContact CD1-O 3.27Å; F72-R81 WeakPolarHBondContact CD1-O 3.35Å; F72-R81 HydrophobicContact CE1-CB 4.1Å; F72-R81 HydrophobicContact CE2-CB 4.24Å; F72-R81 HydrophobicContact CZ-CB 3.94Å; F72-R81 PolarHBondContact N-O 3.48Å; F72-R81 PolarHBondContact O-N 3.42Å; P79-R81 PolarHBondContact O-N 3.2Å; R81-Q92 PolarHBondContact NH1-O 3.07Å
82	W	90.9	Very high	80.9	Confident	56 Å²	56	58.8 Å²	58.8	21%	0.212	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.2	169.6	-63.3	109.9	0	0	0	110.7	L70 Q71 E84 R103 V104 K105	L70-W82 CarbonylContact O-C 3.59Å; L70-W82 WeakPolarHBondContact O-CA 3.28Å; Q71-W82 HydrophobicContact CB-CE3 4.14Å; Q71-W82 HydrophobicContact CB-CZ3 4.14Å; W82-E84 PolarHBondContact O-N 3.44Å; W82-R103 HydrophobicContact CH2-CB 3.58Å; W82-R103 HydrophobicContact CZ3-CB 3.79Å; W82-V104 WeakPolarHBondContact CH2-O 3.45Å; W82-K105 HydrophobicContact CD2-CD 4.14Å; W82-K105 HydrophobicContact CD2-CG 4.15Å; W82-K105 HydrophobicContact CE3-CB 4.47Å; W82-K105 HydrophobicContact CE3-CD 4.19Å; W82-K105 HydrophobicContact CE3-CG 4.3Å; W82-K105 HydrophobicContact CG-CD 4.49Å; W82-K105 HydrophobicContact CH2-CB 3.85Å; W82-K105 HydrophobicContact CH2-CG 4.17Å; W82-K105 HydrophobicContact CZ2-CB 4.15Å; W82-K105 HydrophobicContact CZ2-CG 4.03Å; W82-K105 HydrophobicContact CZ3-CB 4.02Å; W82-K105 HydrophobicContact CZ3-CG 4.3Å
83	L	93.8	Very high	80.8	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.4	121.7	170	-173.9	67.9	0	0	0	109.3	L52 L53 L70 F72 L100	L52-L83 HydrophobicContact CB-CD2 4.42Å; L52-L83 HydrophobicContact CD2-CD2 4Å; L52-L83 HydrophobicContact CG-CD2 4.5Å; L53-L83 HydrophobicContact CD2-CD2 4.44Å; L53-L83 HydrophobicContact CG-CD2 4.14Å; L70-L83 HydrophobicContact CB-CB 4.05Å; L70-L83 HydrophobicContact CB-CD2 4.22Å; L70-L83 HydrophobicContact CD1-CD2 3.91Å; L70-L83 PolarHBondContact O-N 2.9Å; F72-L83 HydrophobicContact CE1-CD1 4.33Å; L83-L100 HydrophobicContact CD1-CD2 4.4Å; L83-L100 HydrophobicContact CD2-CD2 4.12Å
84	E	91.9	Very high	80.8	Confident	24 Å²	24	62.2 Å²	62.2	11%	0.112	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-84.9	121.9	177.8	-61.6	-177.7	-116.2	0	0	109.1	W82 A86 K87 Q92 K278	W82-E84 PolarHBondContact O-N 3.44Å; E84-A86 PolarHBondContact O-N 3.44Å; E84-K87 HydrophobicContact CB-CB 4.33Å; E84-K87 HydrophobicContact CB-CD 4.08Å; E84-K87 HydrophobicContact CB-CG 4.29Å; E84-K87 HydrophobicContact CG-CD 4.46Å; E84-K87 PolarHBondContact O-N 3.27Å; E84-K87 IonicContact OE1-NZ 3.69Å; E84-K87 PolarHBondContact OE1-NZ 3.47Å; E84-K87 WeakPolarHBondContact OE2-CE 3.48Å; E84-K87 IonicContact OE2-NZ 2.8Å; E84-K87 PolarHBondContact OE2-NZ 3.11Å; E84-Q92 VanDerWaalsContact CB-OE1 3.27Å; E84-Q92 PolarHBondContact O-NE2 2.93Å; E84-K278 IonicContact OE1-NZ 3.61Å; E84-K278 PolarHBondContact OE1-NZ 3.21Å; E84-K278 IonicContact OE2-NZ 3.66Å; E84-K278 PolarHBondContact OE2-NZ 3.19Å
85	P	93.1	Very high	81.4	Confident	19 Å²	19	63.9 Å²	63.9	12%	0.123	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-38.6	-171.9	-18.6	27.2	0	0	0	113.7	G49 Q50 L53 K87	G49-P85 PolarHBondContact N-O 3.36Å; Q50-P85 HydrophobicContact CB-CB 3.98Å; Q50-P85 PolarHBondContact N-O 2.97Å; L53-P85 HydrophobicContact CD1-CB 3.95Å; L53-P85 HydrophobicContact CD1-CG 3.72Å; P85-K87 PolarHBondContact O-N 3.45Å
86	A	90.2	Very high	82.3	Confident	79 Å²	79	60.3 Å²	60.3	65%	0.653	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	8.2	-176.4	0	0	0	0	0	115.1	E84	E84-A86 PolarHBondContact O-N 3.44Å
87	K	91.3	Very high	83.5	Confident	79 Å²	79	63.9 Å²	63.9	34%	0.343	36%	0.355	S	S	.	.	S	Bend	trans	-121.2	145.1	-178.1	-69.8	-177	-176.9	171.1	0	111.3	G49 E84 P85 Q92	G49-K87 PolarHBondContact N-O 3.36Å; E84-K87 HydrophobicContact CB-CB 4.33Å; E84-K87 HydrophobicContact CB-CD 4.08Å; E84-K87 HydrophobicContact CB-CG 4.29Å; E84-K87 HydrophobicContact CG-CD 4.46Å; E84-K87 PolarHBondContact O-N 3.27Å; E84-K87 IonicContact OE1-NZ 3.69Å; E84-K87 PolarHBondContact OE1-NZ 3.47Å; E84-K87 WeakPolarHBondContact OE2-CE 3.48Å; E84-K87 IonicContact OE2-NZ 2.8Å; E84-K87 PolarHBondContact OE2-NZ 3.11Å; P85-K87 PolarHBondContact O-N 3.45Å; K87-Q92 HydrophobicContact CB-CG 3.87Å; K87-Q92 HydrophobicContact CD-CG 4.41Å; K87-Q92 PolarHBondContact O-NE2 3.34Å
88	S	92.9	Very high	85.1	Confident	33 Å²	33	58.2 Å²	58.2	23%	0.231	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-62.9	139.9	176	63.8	0	0	0	0	111.8	A47 R90 K91 Q92	A47-S88 VanDerWaalsContact O-CA 3.28Å; A47-S88 WeakPolarHBondContact O-CA 3.47Å; S88-R90 VanDerWaalsContact C-N 3.32Å; S88-R90 PolarHBondContact O-N 2.98Å; S88-K91 PolarHBondContact O-N 3.22Å; S88-K91 WeakPolarHBondContact OG-CB 3.16Å; S88-Q92 WeakPolarHBondContact O-CG 3.39Å; S88-Q92 PolarHBondContact O-N 3.32Å
89	I	91.3	Very high	86.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-46.1	-177.1	-67	164	0	0	0	110.5	V43 A47 L52 K91 Q92 M93 Y98	V43-I89 HydrophobicContact CB-CD1 4.48Å; V43-I89 HydrophobicContact CG2-CD1 3.7Å; A47-I89 HydrophobicContact CB-CD1 4.18Å; A47-I89 PolarHBondContact O-N 3.15Å; L52-I89 HydrophobicContact CB-CD1 3.86Å; L52-I89 HydrophobicContact CD2-CD1 4.16Å; I89-K91 PolarHBondContact O-N 3.38Å; I89-Q92 WeakPolarHBondContact O-CA 3.36Å; I89-Q92 WeakPolarHBondContact O-CB 3.37Å; I89-Q92 PolarHBondContact O-N 3.37Å; I89-M93 HydrophobicContact CG2-SD 4.28Å; I89-M93 PolarHBondContact O-N 2.85Å; I89-Y98 HydrophobicContact CG2-CD1 4.26Å; I89-Y98 HydrophobicContact CG2-CE1 4.47Å
90	R	88.3	Confident	88.2	Confident	110 Å²	110	54.1 Å²	54.1	42%	0.415	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-27.3	176.4	-172.2	-177.9	-68.8	-146.2	-13.6	114.5	I27 K45 S88 Q92 M93	I27-R90 HydrophobicContact CD1-CB 4.37Å; K45-R90 VanDerWaalsContact CG-NH2 3.26Å; S88-R90 VanDerWaalsContact C-N 3.32Å; S88-R90 PolarHBondContact O-N 2.98Å; R90-Q92 VanDerWaalsContact C-N 3.35Å; R90-M93 CarbonylContact C-O 3.57Å
91	K	88.7	Confident	89.2	Confident	171 Å²	171	56.2 Å²	56.2	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-81.7	-20.1	176	-172.7	172.2	-176.1	171.9	0	112	S88 I89	S88-K91 PolarHBondContact O-N 3.22Å; S88-K91 WeakPolarHBondContact OG-CB 3.16Å; I89-K91 PolarHBondContact O-N 3.38Å
92	Q	90.1	Very high	89.7	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-93.4	-35.7	-178.7	-63.2	-170.3	76	0	0	112.6	F72 R81 E84 K87 S88 I89 R90	F72-Q92 HydrophobicContact CE1-CB 4.48Å; F72-Q92 WeakPolarHBondContact CE2-O 3.4Å; F72-Q92 HydrophobicContact CZ-CB 4.01Å; F72-Q92 WeakPolarHBondContact CZ-O 3.42Å; R81-Q92 PolarHBondContact NH1-O 3.07Å; E84-Q92 VanDerWaalsContact CB-OE1 3.27Å; E84-Q92 PolarHBondContact O-NE2 2.93Å; K87-Q92 HydrophobicContact CB-CG 3.87Å; K87-Q92 HydrophobicContact CD-CG 4.41Å; K87-Q92 PolarHBondContact O-NE2 3.34Å; S88-Q92 WeakPolarHBondContact O-CG 3.39Å; S88-Q92 PolarHBondContact O-N 3.32Å; I89-Q92 WeakPolarHBondContact O-CA 3.36Å; I89-Q92 WeakPolarHBondContact O-CB 3.37Å; I89-Q92 PolarHBondContact O-N 3.37Å; R90-Q92 VanDerWaalsContact C-N 3.35Å
93	M	88.5	Confident	89.8	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.054	28%	0.277	C	S	.	.	S	Bend	trans	-122.1	120.3	-179	-62.1	173.4	77.4	0	0	108.6	F72 I89 R90 Y98 L100	F72-M93 HydrophobicContact CB-CE 3.91Å; F72-M93 HydrophobicContact CB-SD 4.28Å; F72-M93 HydrophobicContact CD1-CG 4.27Å; F72-M93 HydrophobicContact CD1-SD 4.24Å; F72-M93 HydrophobicContact CD2-CE 4.19Å; F72-M93 HydrophobicContact CD2-CG 3.51Å; F72-M93 HydrophobicContact CD2-SD 4.14Å; F72-M93 HydrophobicContact CE1-CG 4.25Å; F72-M93 HydrophobicContact CE2-CG 3.47Å; F72-M93 VanDerWaalsContact CE2-CG 3.47Å; F72-M93 HydrophobicContact CG-CE 4.11Å; F72-M93 HydrophobicContact CG-CG 3.92Å; F72-M93 HydrophobicContact CG-SD 3.96Å; F72-M93 HydrophobicContact CZ-CG 3.86Å; I89-M93 HydrophobicContact CG2-SD 4.28Å; I89-M93 PolarHBondContact O-N 2.85Å; R90-M93 CarbonylContact C-O 3.57Å; M93-Y98 HydrophobicContact CB-CD1 3.62Å; M93-Y98 HydrophobicContact CB-CE1 3.72Å; M93-Y98 HydrophobicContact CE-CD1 3.86Å; M93-Y98 HydrophobicContact CE-CG 4.34Å; M93-Y98 HydrophobicContact CG-CD1 4.36Å; M93-Y98 HydrophobicContact SD-CD1 3.91Å; M93-L100 HydrophobicContact CE-CD1 4.16Å; M93-L100 HydrophobicContact CE-CG 4.14Å; M93-L100 HydrophobicContact SD-CD1 4.24Å; M93-L100 HydrophobicContact SD-CD2 4.1Å; M93-L100 HydrophobicContact SD-CG 4.18Å
94	Q	78.1	Confident	89.7	Confident	152 Å²	152	52 Å²	52	71%	0.71	28%	0.276	S	S	*	.			trans	-79	-39.3	-164.2	-64.6	176.7	58.6	0	0	113.5	D74	D74-Q94 PolarHBondContact OD2-NE2 2.86Å
95	C	78.4	Confident	89.7	Confident	65 Å²	65	51.7 Å²	51.7	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-146	154.5	-179.6	60.2	0	0	0	0	112
96	P	80.5	Confident	89.5	Confident	88 Å²	88	50.9 Å²	50.9	57%	0.571	27%	0.269	S	S	*	.	S	Bend	trans	-63.8	162	170.7	-7.8	18.7	0	0	0	112.7	Y98	P96-Y98 HydrophobicContact CB-CD2 3.98Å; P96-Y98 HydrophobicContact CB-CE2 3.89Å; P96-Y98 HydrophobicContact CG-CD2 4.22Å; P96-Y98 HydrophobicContact CG-CE2 3.61Å
97	P	86.3	Confident	89.2	Confident	101 Å²	101	48.7 Å²	48.7	66%	0.656	24%	0.244	S	C	*	.			cis	-71.8	139.8	-1.1	30.6	-35.1	0	0	0	111.8	I99	P97-I99 HydrophobicContact CB-CD1 4.22Å; P97-I99 HydrophobicContact CB-CG1 4.02Å; P97-I99 HydrophobicContact CG-CD1 3.94Å; P97-I99 HydrophobicContact CG-CG1 4.19Å; P97-I99 PolarHBondContact O-N 3.45Å; P97-I99 VanDerWaalsContact O-N 3.15Å
98	Y	90.2	Very high	88.5	Confident	18 Å²	18	45.8 Å²	45.8	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	83.4	178.4	-63	-87	0	0	0	109.6	I27 C29 D30 I89 M93 P96	I27-Y98 HydrophobicContact CG2-CD1 4.42Å; I27-Y98 HydrophobicContact CG2-CD2 3.52Å; I27-Y98 HydrophobicContact CG2-CE1 4.44Å; I27-Y98 HydrophobicContact CG2-CE2 3.53Å; I27-Y98 HydrophobicContact CG2-CG 4Å; C29-Y98 CarbonylContact C-O 3.5Å; C29-Y98 WeakPolarHBondContact CA-O 3.35Å; D30-Y98 PolarHBondContact N-O 3.27Å; I89-Y98 HydrophobicContact CG2-CD1 4.26Å; I89-Y98 HydrophobicContact CG2-CE1 4.47Å; M93-Y98 HydrophobicContact CB-CD1 3.62Å; M93-Y98 HydrophobicContact CB-CE1 3.72Å; M93-Y98 HydrophobicContact CE-CD1 3.86Å; M93-Y98 HydrophobicContact CE-CG 4.34Å; M93-Y98 HydrophobicContact CG-CD1 4.36Å; M93-Y98 HydrophobicContact SD-CD1 3.91Å; P96-Y98 HydrophobicContact CB-CD2 3.98Å; P96-Y98 HydrophobicContact CB-CE2 3.89Å; P96-Y98 HydrophobicContact CG-CD2 4.22Å; P96-Y98 HydrophobicContact CG-CE2 3.61Å
99	I	92.7	Very high	87.3	Confident	63 Å²	63	45.9 Å²	45.9	32%	0.323	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.3	-179	-55.5	176.4	0	0	0	109.8	D30 F72 P97	D30-I99 CarbonylContact O-C 3.56Å; D30-I99 WeakPolarHBondContact O-CA 3.33Å; F72-I99 WeakPolarHBondContact CB-O 3.29Å; P97-I99 HydrophobicContact CB-CD1 4.22Å; P97-I99 HydrophobicContact CB-CG1 4.02Å; P97-I99 HydrophobicContact CG-CD1 3.94Å; P97-I99 HydrophobicContact CG-CG1 4.19Å; P97-I99 PolarHBondContact O-N 3.45Å; P97-I99 VanDerWaalsContact O-N 3.15Å
100	L	95	Very high	86	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	155.1	177.2	-54.9	97.5	0	0	0	110.6	C29 D30 V31 H32 L52 L70 Q71 F72 L83 M93	C29-L100 HydrophobicContact CB-CD1 3.96Å; D30-L100 PolarHBondContact O-N 2.91Å; V31-L100 CarbonylContact C-O 3.47Å; V31-L100 WeakPolarHBondContact CA-O 3.45Å; V31-L100 HydrophobicContact CG2-CB 4.41Å; V31-L100 HydrophobicContact CG2-CD1 4.48Å; H32-L100 PolarHBondContact N-O 2.78Å; L52-L100 HydrophobicContact CD2-CD1 4.04Å; L52-L100 HydrophobicContact CD2-CD2 4.06Å; L70-L100 HydrophobicContact CB-CB 4.38Å; L70-L100 HydrophobicContact CB-CD2 3.96Å; L70-L100 HydrophobicContact CD1-CD2 4.23Å; Q71-L100 CarbonylContact O-C 3.6Å; Q71-L100 WeakPolarHBondContact O-CA 3.32Å; F72-L100 HydrophobicContact CB-CD2 4.32Å; F72-L100 HydrophobicContact CB-CG 4.11Å; F72-L100 HydrophobicContact CD1-CD2 4.33Å; L83-L100 HydrophobicContact CD1-CD2 4.4Å; L83-L100 HydrophobicContact CD2-CD2 4.12Å; M93-L100 HydrophobicContact CE-CD1 4.16Å; M93-L100 HydrophobicContact CE-CG 4.14Å; M93-L100 HydrophobicContact SD-CD1 4.24Å; M93-L100 HydrophobicContact SD-CD2 4.1Å; M93-L100 HydrophobicContact SD-CG 4.18Å
101	H	94.6	Very high	85	Confident	61 Å²	61	44.5 Å²	44.5	28%	0.282	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.6	177.6	-60.3	-86.1	0	0	0	109.7	H32 L70 Q71 R103	H32-H101 WeakPolarHBondContact O-CA 3.38Å; L70-H101 WeakPolarHBondContact CA-O 3.42Å; Q71-H101 PolarHBondContact N-O 3.08Å; Q71-H101 PolarHBondContact O-N 2.91Å; H101-R103 HydrophobicContact CB-CG 4.22Å
102	F	96.9	Very high	84.1	Confident	1 Å²	1	40 Å²	40	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.8	168.8	-177.5	-99.8	0	0	0	109.9	H32 F33 L34 V56 Y57 L60 L62 F68 L70 H122	H32-F102 PolarHBondContact O-N 2.93Å; F33-F102 HydrophobicContact CD1-CB 3.84Å; F33-F102 HydrophobicContact CD1-CD1 4.37Å; F33-F102 HydrophobicContact CD1-CG 4.1Å; F33-F102 HydrophobicContact CE1-CB 4.26Å; F33-F102 HydrophobicContact CE1-CG 4.45Å; L34-F102 HydrophobicContact CD1-CD1 3.96Å; L34-F102 HydrophobicContact CD1-CE1 4.14Å; L34-F102 HydrophobicContact CG-CD1 4.11Å; V56-F102 HydrophobicContact CG1-CD2 3.96Å; V56-F102 HydrophobicContact CG1-CE2 4.42Å; Y57-F102 HydrophobicContact CD1-CE2 4.26Å; Y57-F102 HydrophobicContact CE1-CE2 4.02Å; L60-F102 HydrophobicContact CD1-CD1 4.15Å; L60-F102 HydrophobicContact CD1-CD2 4.01Å; L60-F102 HydrophobicContact CD1-CE1 3.85Å; L60-F102 HydrophobicContact CD1-CE2 3.68Å; L60-F102 HydrophobicContact CD1-CG 4.23Å; L60-F102 HydrophobicContact CD1-CZ 3.6Å; L62-F102 HydrophobicContact CD1-CE1 4.22Å; L62-F102 HydrophobicContact CD1-CE2 4.1Å; L62-F102 HydrophobicContact CD1-CZ 3.4Å; L62-F102 VanDerWaalsContact CD1-CZ 3.4Å; F68-F102 HydrophobicContact CB-CE1 4.37Å; F68-F102 HydrophobicContact CB-CE2 3.54Å; F68-F102 HydrophobicContact CB-CZ 3.42Å; F68-F102 VanDerWaalsContact CB-CZ 3.42Å; F68-F102 AromaticContact CD1-CE1 3.58Å; F68-F102 HydrophobicContact CD1-CE1 3.58Å; F68-F102 HydrophobicContact CD1-CE2 4.3Å; F68-F102 AromaticContact CD1-CZ 3.36Å; F68-F102 HydrophobicContact CD1-CZ 3.36Å; F68-F102 HydrophobicContact CD2-CZ 4.11Å; F68-F102 HydrophobicContact CE1-CE1 4.08Å; F68-F102 HydrophobicContact CE1-CZ 4.12Å; F68-F102 HydrophobicContact CG-CE1 4.08Å; F68-F102 HydrophobicContact CG-CE2 4.03Å; F68-F102 AromaticContact CG-CZ 3.35Å; F68-F102 HydrophobicContact CG-CZ 3.35Å; L70-F102 HydrophobicContact CD2-CB 4.14Å; L70-F102 HydrophobicContact CD2-CD2 4.29Å; F102-H122 AromaticContact CE1-CD2 3.63Å; F102-H122 AromaticContact CE1-NE2 3.97Å
103	R	93.3	Very high	83.4	Confident	12 Å²	12	42.5 Å²	42.5	5%	0.045	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.4	-172.4	-64.3	-69	-178	160.2	-0.6	111.2	F68 G69 Q71 W82 H101 K105 Q126 D130	F68-R103 WeakPolarHBondContact CA-O 3.43Å; G69-R103 PolarHBondContact N-O 3.2Å; G69-R103 PolarHBondContact O-N 3Å; Q71-R103 HydrophobicContact CB-CG 4.21Å; W82-R103 HydrophobicContact CH2-CB 3.58Å; W82-R103 HydrophobicContact CZ3-CB 3.79Å; H101-R103 HydrophobicContact CB-CG 4.22Å; R103-K105 PolarHBondContact O-N 3.45Å; R103-Q126 VanDerWaalsContact CA-OE1 3.25Å; R103-D130 IonicContact NH1-OD1 2.66Å; R103-D130 PolarHBondContact NH1-OD1 3.07Å
104	V	91.2	Very high	83.1	Confident	2 Å²	2	42 Å²	42	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.4	166.1	-179.6	0	0	0	0	108.2	F68 W82 Y107 F123 Q126	F68-V104 HydrophobicContact CD1-CG2 4.01Å; F68-V104 HydrophobicContact CE1-CG2 3.69Å; W82-V104 WeakPolarHBondContact CH2-O 3.45Å; V104-Y107 HydrophobicContact CB-CE1 4.19Å; V104-Y107 HydrophobicContact CB-CE2 4.09Å; V104-Y107 HydrophobicContact CG1-CD1 4.02Å; V104-Y107 HydrophobicContact CG1-CD2 3.96Å; V104-Y107 HydrophobicContact CG1-CE1 3.94Å; V104-Y107 HydrophobicContact CG1-CE2 3.84Å; V104-Y107 HydrophobicContact CG1-CG 4.06Å; V104-F123 HydrophobicContact CG1-CD1 4.28Å; V104-F123 HydrophobicContact CG1-CD2 4.24Å; V104-F123 HydrophobicContact CG1-CE1 3.86Å; V104-F123 HydrophobicContact CG1-CE2 3.8Å; V104-F123 HydrophobicContact CG1-CG 4.47Å; V104-F123 HydrophobicContact CG1-CZ 3.61Å; V104-F123 HydrophobicContact CG2-CD2 3.89Å; V104-F123 HydrophobicContact CG2-CE2 4.18Å; V104-F123 HydrophobicContact CG2-CG 4.18Å; V104-Q126 HydrophobicContact CB-CB 4.4Å; V104-Q126 HydrophobicContact CB-CG 3.97Å; V104-Q126 HydrophobicContact CG2-CB 3.66Å; V104-Q126 HydrophobicContact CG2-CG 3.79Å; V104-Q126 VanDerWaalsContact N-OE1 3.12Å
105	K	91.1	Very high	83.2	Confident	18 Å²	18	38.8 Å²	38.8	8%	0.078	22%	0.223	C	C	.	.			trans	-99	-42.7	-179.9	-174.2	174.2	179.9	-179.7	0	111.7	Y67 W82 R103 E282	Y67-K105 WeakPolarHBondContact O-CA 3.38Å; Y67-K105 PolarHBondContact O-N 3.31Å; W82-K105 HydrophobicContact CD2-CD 4.14Å; W82-K105 HydrophobicContact CD2-CG 4.15Å; W82-K105 HydrophobicContact CE3-CB 4.47Å; W82-K105 HydrophobicContact CE3-CD 4.19Å; W82-K105 HydrophobicContact CE3-CG 4.3Å; W82-K105 HydrophobicContact CG-CD 4.49Å; W82-K105 HydrophobicContact CH2-CB 3.85Å; W82-K105 HydrophobicContact CH2-CG 4.17Å; W82-K105 HydrophobicContact CZ2-CB 4.15Å; W82-K105 HydrophobicContact CZ2-CG 4.03Å; W82-K105 HydrophobicContact CZ3-CB 4.02Å; W82-K105 HydrophobicContact CZ3-CG 4.3Å; R103-K105 PolarHBondContact O-N 3.45Å; K105-E282 WeakPolarHBondContact CE-OE1 3.4Å; K105-E282 IonicContact NZ-OE1 2.81Å; K105-E282 PolarHBondContact NZ-OE1 2.89Å; K105-E282 IonicContact NZ-OE2 2.82Å
106	F	90.2	Very high	83.5	Confident	2 Å²	2	37 Å²	37	1%	0.009	21%	0.209	C	C	.	.	S	Bend	trans	-118.6	102.8	-176.2	-61	-67.1	0	0	0	110.9	D66 Y67 V108 F123 E282 H283 F286 F287 Y309	D66-F106 VanDerWaalsContact O-CD2 3.28Å; D66-F106 WeakPolarHBondContact O-CD2 3.31Å; Y67-F106 HydrophobicContact CD1-CB 4.23Å; Y67-F106 WeakPolarHBondContact CD1-O 3.41Å; Y67-F106 PolarHBondContact O-N 3.14Å; F106-V108 PolarHBondContact O-N 3.39Å; F106-F123 WeakPolarHBondContact O-CZ 3.39Å; F106-E282 HydrophobicContact CE1-CB 4.12Å; F106-E282 HydrophobicContact CZ-CB 4.14Å; F106-H283 AromaticContact CD1-CE1 4Å; F106-H283 AromaticContact CD1-NE2 3.97Å; F106-H283 AromaticContact CE1-ND1 3.88Å; F106-F286 HydrophobicContact CB-CD1 3.69Å; F106-F286 HydrophobicContact CB-CE1 3.52Å; F106-F286 HydrophobicContact CB-CG 4.43Å; F106-F286 HydrophobicContact CB-CZ 4.14Å; F106-F286 HydrophobicContact CD1-CB 4.03Å; F106-F286 AromaticContact CD1-CD1 3.82Å; F106-F286 HydrophobicContact CD1-CD1 3.82Å; F106-F286 HydrophobicContact CD1-CE1 4.5Å; F106-F286 AromaticContact CD1-CG 3.93Å; F106-F286 HydrophobicContact CD1-CG 3.93Å; F106-F286 HydrophobicContact CD2-CD1 4.01Å; F106-F286 AromaticContact CD2-CD2 3.9Å; F106-F286 HydrophobicContact CD2-CD2 3.9Å; F106-F286 HydrophobicContact CD2-CE1 4.1Å; F106-F286 AromaticContact CD2-CE2 3.99Å; F106-F286 HydrophobicContact CD2-CE2 3.99Å; F106-F286 AromaticContact CD2-CG 3.9Å; F106-F286 HydrophobicContact CD2-CG 3.9Å; F106-F286 HydrophobicContact CD2-CZ 4.09Å; F106-F286 HydrophobicContact CE1-CB 3.81Å; F106-F286 HydrophobicContact CE1-CD1 4.43Å; F106-F286 HydrophobicContact CE1-CG 4.08Å; F106-F286 HydrophobicContact CE2-CB 4.41Å; F106-F286 AromaticContact CE2-CD2 3.92Å; F106-F286 HydrophobicContact CE2-CD2 3.92Å; F106-F286 HydrophobicContact CE2-CE2 4.34Å; F106-F286 HydrophobicContact CE2-CG 4.05Å; F106-F286 HydrophobicContact CG-CB 4.43Å; F106-F286 AromaticContact CG-CD1 3.58Å; F106-F286 HydrophobicContact CG-CD1 3.58Å; F106-F286 HydrophobicContact CG-CD2 4.29Å; F106-F286 AromaticContact CG-CE1 3.82Å; F106-F286 HydrophobicContact CG-CE1 3.82Å; F106-F286 HydrophobicContact CG-CE2 4.5Å; F106-F286 AromaticContact CG-CG 3.83Å; F106-F286 HydrophobicContact CG-CG 3.83Å; F106-F286 HydrophobicContact CG-CZ 4.28Å; F106-F286 HydrophobicContact CZ-CB 4.01Å; F106-F286 HydrophobicContact CZ-CD2 4.34Å; F106-F286 HydrophobicContact CZ-CG 4.14Å; F106-F287 HydrophobicContact CB-CE2 3.99Å; F106-F287 HydrophobicContact CB-CZ 3.73Å; F106-F287 AromaticContact CD1-CE2 3.95Å; F106-F287 HydrophobicContact CD1-CE2 3.95Å; F106-F287 HydrophobicContact CG-CE2 4.39Å; F106-Y309 HydrophobicContact CE2-CE2 4.06Å; F106-Y309 HydrophobicContact CZ-CD2 4.44Å; F106-Y309 AromaticContact CZ-CE2 3.72Å; F106-Y309 HydrophobicContact CZ-CE2 3.72Å
107	Y	84	Confident	83.3	Confident	33 Å²	33	35.3 Å²	35.3	13%	0.129	19%	0.193	C	C	.	.			trans	-81.7	117.7	177.2	-68.2	-99.2	0	0	0	110.8	V104 F123 Q126 L127 N207 S220 F287	V104-Y107 HydrophobicContact CB-CE1 4.19Å; V104-Y107 HydrophobicContact CB-CE2 4.09Å; V104-Y107 HydrophobicContact CG1-CD1 4.02Å; V104-Y107 HydrophobicContact CG1-CD2 3.96Å; V104-Y107 HydrophobicContact CG1-CE1 3.94Å; V104-Y107 HydrophobicContact CG1-CE2 3.84Å; V104-Y107 HydrophobicContact CG1-CG 4.06Å; Y107-F123 HydrophobicContact CD1-CD1 4.31Å; Y107-F123 HydrophobicContact CD1-CE1 4.25Å; Y107-Q126 HydrophobicContact CE1-CG 4.49Å; Y107-Q126 WeakPolarHBondContact OH-CG 3.44Å; Y107-L127 HydrophobicContact CE1-CD2 3.98Å; Y107-L127 HydrophobicContact CE1-CG 4.46Å; Y107-N207 WeakPolarHBondContact CD2-ND2 3.4Å; Y107-N207 VanDerWaalsContact CE2-OD1 3.24Å; Y107-N207 WeakPolarHBondContact CE2-OD1 3.34Å; Y107-S220 VanDerWaalsContact O-CB 3.31Å; Y107-S220 WeakPolarHBondContact O-CB 3.4Å; Y107-S220 PolarHBondContact O-OG 3.04Å; Y107-F287 VanDerWaalsContact O-CZ 3.3Å; Y107-F287 WeakPolarHBondContact O-CZ 3.46Å
108	V	76.1	Confident	83.3	Confident	17 Å²	17	32.9 Å²	32.9	10%	0.103	17%	0.171	C	C	.	.			trans	-66.5	149.9	175.1	-62.2	0	0	0	0	111.6	Y67 F106 D110 L114 F123	Y67-V108 HydrophobicContact CD1-CG1 3.99Å; Y67-V108 HydrophobicContact CE1-CG1 3.31Å; F106-V108 PolarHBondContact O-N 3.39Å; V108-D110 WeakPolarHBondContact CG2-O 3.42Å; V108-L114 HydrophobicContact CB-CD2 4.47Å; V108-L114 HydrophobicContact CG1-CD2 3.77Å; V108-L114 HydrophobicContact CG2-CD1 3.97Å; V108-L114 HydrophobicContact CG2-CD2 3.83Å; V108-L114 HydrophobicContact CG2-CG 3.74Å; V108-F123 HydrophobicContact CG2-CE1 4.24Å
109	S	67.7	Low	83.1	Confident	35 Å²	35	32 Å²	32	25%	0.245	17%	0.167	C	C	.	.	S	Bend	trans	-79.3	-24.8	173	52.9	0	0	0	0	113.5	S220	S109-S220 WeakPolarHBondContact CB-OG 3.33Å; S109-S220 PolarHBondContact N-OG 2.88Å
110	D	64.8	Low	82.6	Confident	32 Å²	32	31.9 Å²	31.9	17%	0.171	16%	0.163	C	C	.	.			trans	-127.5	111.8	-177.3	178.6	3.7	0	0	0	108.7	V108 S112 K113	V108-D110 WeakPolarHBondContact CG2-O 3.42Å; D110-S112 PolarHBondContact O-N 3.35Å; D110-S112 VanDerWaalsContact O-N 3.16Å; D110-S112 VanDerWaalsContact OD1-CB 3.26Å; D110-S112 WeakPolarHBondContact OD1-CB 3.44Å; D110-S112 PolarHBondContact OD1-N 3.5Å; D110-S112 PolarHBondContact OD1-OG 3.47Å; D110-S112 PolarHBondContact OD2-OG 3.38Å; D110-K113 HydrophobicContact CB-CD 4.38Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 WeakPolarHBondContact O-CB 3.48Å; D110-K113 PolarHBondContact O-N 3.12Å; D110-K113 VanDerWaalsContact O-N 3.11Å
111	P	66.8	Low	82	Confident	49 Å²	49	33.4 Å²	33.4	32%	0.318	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-58.7	-22.2	177.5	-24.7	34.8	0	0	0	114	K113 L114 F202	P111-K113 PolarHBondContact O-N 2.87Å; P111-K113 VanDerWaalsContact O-N 3.15Å; P111-L114 WeakPolarHBondContact O-CB 3.45Å; P111-L114 PolarHBondContact O-N 3.37Å; P111-F202 HydrophobicContact CG-CB 4.21Å; P111-F202 HydrophobicContact CG-CD1 3.81Å; P111-F202 HydrophobicContact CG-CE1 4.39Å; P111-F202 HydrophobicContact CG-CG 3.98Å
112	S	69.6	Low	81.7	Confident	78 Å²	78	30.6 Å²	30.6	55%	0.545	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62.7	-19.3	176.8	84.2	0	0	0	0	113	D110 L114	D110-S112 PolarHBondContact O-N 3.35Å; D110-S112 VanDerWaalsContact O-N 3.16Å; D110-S112 VanDerWaalsContact OD1-CB 3.26Å; D110-S112 WeakPolarHBondContact OD1-CB 3.44Å; D110-S112 PolarHBondContact OD1-N 3.5Å; D110-S112 PolarHBondContact OD1-OG 3.47Å; D110-S112 PolarHBondContact OD2-OG 3.38Å; S112-L114 VanDerWaalsContact C-N 3.33Å
113	K	76.1	Confident	81.2	Confident	54 Å²	54	30.6 Å²	30.6	24%	0.235	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-75	-19.3	173.8	-63.9	-178.2	175.6	-174.9	0	113.8	D110 P111 L115 E314 L318	D110-K113 HydrophobicContact CB-CD 4.38Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 WeakPolarHBondContact O-CB 3.48Å; D110-K113 PolarHBondContact O-N 3.12Å; D110-K113 VanDerWaalsContact O-N 3.11Å; P111-K113 PolarHBondContact O-N 2.87Å; P111-K113 VanDerWaalsContact O-N 3.15Å; K113-L115 PolarHBondContact O-N 3.24Å; K113-E314 WeakPolarHBondContact CD-OE1 3.14Å; K113-E314 IonicContact NZ-OE1 3.34Å; K113-E314 PolarHBondContact NZ-OE1 3.35Å; K113-E314 IonicContact NZ-OE2 3.58Å; K113-E314 PolarHBondContact NZ-OE2 3.29Å; K113-L318 HydrophobicContact CB-CD2 4.27Å; K113-L318 VanDerWaalsContact O-CD2 3.3Å; K113-L318 WeakPolarHBondContact O-CD2 3.32Å
114	L	80.7	Confident	80.6	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.156	C	C	.	.			trans	-84.8	102.8	174.5	-55.3	-179	0	0	0	107.2	Y67 V108 P111 S112 T119 R120 F123	Y67-L114 HydrophobicContact CD2-CD2 4Å; Y67-L114 HydrophobicContact CE1-CD2 4.33Å; Y67-L114 HydrophobicContact CE2-CD2 3.7Å; Y67-L114 HydrophobicContact CG-CD2 4.44Å; V108-L114 HydrophobicContact CB-CD2 4.47Å; V108-L114 HydrophobicContact CG1-CD2 3.77Å; V108-L114 HydrophobicContact CG2-CD1 3.97Å; V108-L114 HydrophobicContact CG2-CD2 3.83Å; V108-L114 HydrophobicContact CG2-CG 3.74Å; P111-L114 WeakPolarHBondContact O-CB 3.45Å; P111-L114 PolarHBondContact O-N 3.37Å; S112-L114 VanDerWaalsContact C-N 3.33Å; L114-T119 HydrophobicContact CB-CG2 4.44Å; L114-T119 HydrophobicContact CD2-CG2 3.99Å; L114-R120 HydrophobicContact CB-CG 3.62Å; L114-R120 HydrophobicContact CD1-CG 4.11Å; L114-R120 PolarHBondContact O-NH1 2.78Å; L114-F123 HydrophobicContact CD1-CB 4.44Å; L114-F123 HydrophobicContact CD1-CD1 3.84Å; L114-F123 HydrophobicContact CD1-CD2 4.03Å; L114-F123 HydrophobicContact CD1-CE1 3.96Å; L114-F123 HydrophobicContact CD1-CE2 4.16Å; L114-F123 HydrophobicContact CD1-CG 3.86Å; L114-F123 HydrophobicContact CD1-CZ 4.12Å; L114-F123 HydrophobicContact CD2-CE1 4.49Å; L114-F123 HydrophobicContact CD2-CE2 4.19Å; L114-F123 HydrophobicContact CD2-CZ 4.01Å
115	L	81.6	Confident	80.5	Confident	84 Å²	84	30.7 Å²	30.7	44%	0.44	16%	0.156	S	C	.	.			trans	-86.1	-32	-171.9	-63	175.2	0	0	0	111.8	E64 K113 R120 L318 M321	E64-L115 PolarHBondContact OE1-N 2.75Å; E64-L115 PolarHBondContact OE2-N 3.03Å; K113-L115 PolarHBondContact O-N 3.24Å; L115-R120 PolarHBondContact O-NH1 3.5Å; L115-L318 HydrophobicContact CD1-CD2 4.34Å; L115-M321 HydrophobicContact CB-CE 3.74Å; L115-M321 HydrophobicContact CD1-CB 3.51Å; L115-M321 HydrophobicContact CD1-CG 4.2Å
116	E	84	Confident	80.3	Confident	28 Å²	28	30 Å²	30	13%	0.131	15%	0.153	C	C	.	.			trans	-84.1	130	179	-177.9	-178.3	-145.6	0	0	111.7	I63 E64 Y118 T119 R120 M321	I63-E116 WeakPolarHBondContact CB-OE1 3.48Å; I63-E116 WeakPolarHBondContact CG1-OE1 3.39Å; I63-E116 PolarHBondContact N-OE1 3.16Å; I63-E116 PolarHBondContact N-OE2 3.15Å; E64-E116 HydrophobicContact CG-CB 4.03Å; E64-E116 PolarHBondContact N-OE2 2.81Å; E64-E116 VanDerWaalsContact N-OE2 3.12Å; E64-E116 VanDerWaalsContact OE2-CB 3.23Å; E64-E116 WeakPolarHBondContact OE2-CB 3.36Å; E64-E116 PolarHBondContact OE2-N 3.3Å; E116-Y118 VanDerWaalsContact C-N 3.33Å; E116-Y118 PolarHBondContact O-N 3.36Å; E116-T119 PolarHBondContact O-N 3.24Å; E116-T119 PolarHBondContact OE2-OG1 2.79Å; E116-R120 PolarHBondContact O-N 3.44Å; E116-R120 VanDerWaalsContact O-N 3.15Å; E116-M321 HydrophobicContact CB-CE 4.37Å
117	E	76	Confident	79.9	Confident	51 Å²	51	30.8 Å²	30.8	24%	0.238	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.3	168.6	159.6	-160.9	0	0	112.6	T119 R120 Y121 L198 F331 R333	E117-T119 VanDerWaalsContact C-N 3.27Å; E117-T119 PolarHBondContact O-N 3Å; E117-R120 VanDerWaalsContact CA-NH2 3.26Å; E117-R120 WeakPolarHBondContact O-CB 3.47Å; E117-R120 PolarHBondContact O-N 3.35Å; E117-R120 VanDerWaalsContact O-N 3.14Å; E117-Y121 PolarHBondContact O-N 3.29Å; E117-L198 HydrophobicContact CB-CD1 3.72Å; E117-L198 HydrophobicContact CG-CD1 3.35Å; E117-L198 HydrophobicContact CG-CD2 4.06Å; E117-L198 HydrophobicContact CG-CG 4.25Å; E117-L198 WeakPolarHBondContact OE1-CD1 3.24Å; E117-F331 HydrophobicContact CB-CB 4.27Å; E117-F331 HydrophobicContact CG-CB 3.9Å; E117-F331 HydrophobicContact CG-CD1 3.7Å; E117-F331 HydrophobicContact CG-CG 4.18Å; E117-R333 IonicContact OE1-NE 2.78Å; E117-R333 IonicContact OE1-NH2 2.81Å
118	Y	86.1	Confident	79.8	Confident	50 Å²	50	32.6 Å²	32.6	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-31.8	-179.1	-165.9	-140.2	0	0	0	112.6	L60 L62 E116 Y121 H122 F331	L60-Y118 VanDerWaalsContact O-CE1 3.24Å; L60-Y118 WeakPolarHBondContact O-CE1 3.46Å; L62-Y118 HydrophobicContact CD2-CD1 3.74Å; L62-Y118 HydrophobicContact CD2-CE1 4.25Å; L62-Y118 HydrophobicContact CD2-CG 4.47Å; L62-Y118 HydrophobicContact CG-CD1 4.34Å; L62-Y118 HydrophobicContact CG-CE1 4.45Å; E116-Y118 VanDerWaalsContact C-N 3.33Å; E116-Y118 PolarHBondContact O-N 3.36Å; Y118-Y121 HydrophobicContact CD2-CD1 4.11Å; Y118-Y121 HydrophobicContact CE2-CD1 4.06Å; Y118-Y121 PolarHBondContact O-N 3.46Å; Y118-H122 AromaticContact CD1-CE1 3.84Å; Y118-H122 AromaticContact CD2-CE1 3.92Å; Y118-H122 AromaticContact CD2-ND1 3.93Å; Y118-H122 AromaticContact CE1-CE1 3.38Å; Y118-H122 WeakPolarHBondContact CE1-CE1 3.07Å; Y118-H122 AromaticContact CE2-CE1 3.46Å; Y118-H122 VanDerWaalsContact CE2-CE1 3.46Å; Y118-H122 WeakPolarHBondContact CE2-CE1 3.38Å; Y118-H122 AromaticContact CE2-ND1 3.9Å; Y118-H122 AromaticContact CZ-CE1 3.18Å; Y118-H122 PolarHBondContact O-N 3.05Å; Y118-H122 VanDerWaalsContact O-N 3.08Å; Y118-H122 PolarHBondContact O-ND1 3.35Å; Y118-H122 PolarHBondContact OH-CE1 3.18Å; Y118-F331 AromaticContact CD2-CD2 3.69Å; Y118-F331 HydrophobicContact CD2-CD2 3.69Å; Y118-F331 HydrophobicContact CD2-CE1 4.18Å; Y118-F331 AromaticContact CD2-CE2 3.19Å; Y118-F331 HydrophobicContact CD2-CE2 3.19Å; Y118-F331 HydrophobicContact CD2-CG 4.39Å; Y118-F331 AromaticContact CD2-CZ 3.46Å; Y118-F331 HydrophobicContact CD2-CZ 3.46Å; Y118-F331 VanDerWaalsContact CD2-CZ 3.46Å; Y118-F331 HydrophobicContact CE2-CD2 4.31Å; Y118-F331 AromaticContact CE2-CE2 3.43Å; Y118-F331 HydrophobicContact CE2-CE2 3.43Å; Y118-F331 VanDerWaalsContact CE2-CE2 3.43Å; Y118-F331 AromaticContact CE2-CZ 3.71Å; Y118-F331 HydrophobicContact CE2-CZ 3.71Å; Y118-F331 HydrophobicContact CG-CD2 4.14Å; Y118-F331 HydrophobicContact CG-CE2 4.06Å
119	T	87.8	Confident	80.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-45.2	171.1	-74.8	0	0	0	0	111	E64 Y67 F68 L114 E116 E117 Y121 H122 F123	E64-T119 HydrophobicContact CB-CG2 4.06Å; Y67-T119 HydrophobicContact CD2-CG2 4.18Å; F68-T119 HydrophobicContact CE2-CG2 3.93Å; F68-T119 HydrophobicContact CZ-CG2 3.96Å; L114-T119 HydrophobicContact CB-CG2 4.44Å; L114-T119 HydrophobicContact CD2-CG2 3.99Å; E116-T119 PolarHBondContact O-N 3.24Å; E116-T119 PolarHBondContact OE2-OG1 2.79Å; E117-T119 VanDerWaalsContact C-N 3.27Å; E117-T119 PolarHBondContact O-N 3Å; T119-Y121 VanDerWaalsContact C-N 3.28Å; T119-Y121 PolarHBondContact O-N 3.24Å; T119-H122 PolarHBondContact O-N 3.42Å; T119-F123 HydrophobicContact CG2-CD2 4.27Å; T119-F123 HydrophobicContact CG2-CE2 4.12Å; T119-F123 WeakPolarHBondContact O-CD2 3.33Å; T119-F123 PolarHBondContact O-N 2.86Å; T119-F123 VanDerWaalsContact O-N 3.1Å
120	R	81	Confident	81	Confident	60 Å²	60	34.6 Å²	34.6	23%	0.226	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-39.9	173.6	-67.2	-173.3	-66.8	-88.3	2	112.2	L114 L115 E116 E117 F123 Y124 L198	L114-R120 HydrophobicContact CB-CG 3.62Å; L114-R120 HydrophobicContact CD1-CG 4.11Å; L114-R120 PolarHBondContact O-NH1 2.78Å; L115-R120 PolarHBondContact O-NH1 3.5Å; E116-R120 PolarHBondContact O-N 3.44Å; E116-R120 VanDerWaalsContact O-N 3.15Å; E117-R120 VanDerWaalsContact CA-NH2 3.26Å; E117-R120 WeakPolarHBondContact O-CB 3.47Å; E117-R120 PolarHBondContact O-N 3.35Å; E117-R120 VanDerWaalsContact O-N 3.14Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 PolarHBondContact O-N 3.45Å; R120-Y124 PolarHBondContact O-N 3.18Å; R120-L198 HydrophobicContact CB-CD2 4.19Å; R120-L198 VanDerWaalsContact NE-CD1 3.32Å
121	Y	82.1	Confident	81.7	Confident	33 Å²	33	33.9 Å²	33.9	13%	0.129	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-43	178	-177.7	-116.1	0	0	0	112.5	E117 Y118 T119 F123 Y124 L125 F331	E117-Y121 PolarHBondContact O-N 3.29Å; Y118-Y121 HydrophobicContact CD2-CD1 4.11Å; Y118-Y121 HydrophobicContact CE2-CD1 4.06Å; Y118-Y121 PolarHBondContact O-N 3.46Å; T119-Y121 VanDerWaalsContact C-N 3.28Å; T119-Y121 PolarHBondContact O-N 3.24Å; Y121-F123 VanDerWaalsContact C-N 3.34Å; Y121-F123 PolarHBondContact O-N 2.92Å; Y121-Y124 AromaticContact CD2-CD1 3.91Å; Y121-Y124 HydrophobicContact CD2-CD1 3.91Å; Y121-Y124 AromaticContact CE2-CD1 3.88Å; Y121-Y124 HydrophobicContact CE2-CD1 3.88Å; Y121-Y124 HydrophobicContact CE2-CE1 4.1Å; Y121-Y124 VanDerWaalsContact O-CB 3.31Å; Y121-Y124 WeakPolarHBondContact O-CB 3.43Å; Y121-Y124 PolarHBondContact O-N 3.44Å; Y121-L125 HydrophobicContact CD1-CD1 3.94Å; Y121-L125 HydrophobicContact CD1-CG 4.4Å; Y121-L125 HydrophobicContact CE1-CD1 3.48Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.48Å; Y121-L125 HydrophobicContact CE1-CD2 4.44Å; Y121-L125 HydrophobicContact CE1-CG 4.04Å; Y121-L125 HydrophobicContact CE2-CD2 4.26Å; Y121-L125 HydrophobicContact CE2-CG 4.27Å; Y121-L125 WeakPolarHBondContact O-CG 3.28Å; Y121-L125 PolarHBondContact O-N 2.75Å; Y121-F331 HydrophobicContact CD1-CE1 4.08Å; Y121-F331 AromaticContact CD1-CZ 3.83Å; Y121-F331 HydrophobicContact CD1-CZ 3.83Å; Y121-F331 HydrophobicContact CE1-CZ 4.19Å; Y121-F331 HydrophobicContact CG-CE1 4.03Å; Y121-F331 HydrophobicContact CG-CZ 4.26Å
122	H	88.3	Confident	82.5	Confident	1 Å²	1	32 Å²	32	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-35.1	175.3	-77.1	98.5	0	0	0	113.3	L34 F68 F102 Y118 T119 Y124 L125 Q126	L34-H122 HydrophobicContact CD1-CB 4.22Å; L34-H122 WeakPolarHBondContact CD1-O 3.2Å; F68-H122 HydrophobicContact CE1-CB 3.52Å; F68-H122 HydrophobicContact CZ-CB 3.72Å; F102-H122 AromaticContact CE1-CD2 3.63Å; F102-H122 AromaticContact CE1-NE2 3.97Å; Y118-H122 AromaticContact CD1-CE1 3.84Å; Y118-H122 AromaticContact CD2-CE1 3.92Å; Y118-H122 AromaticContact CD2-ND1 3.93Å; Y118-H122 AromaticContact CE1-CE1 3.38Å; Y118-H122 WeakPolarHBondContact CE1-CE1 3.07Å; Y118-H122 AromaticContact CE2-CE1 3.46Å; Y118-H122 VanDerWaalsContact CE2-CE1 3.46Å; Y118-H122 WeakPolarHBondContact CE2-CE1 3.38Å; Y118-H122 AromaticContact CE2-ND1 3.9Å; Y118-H122 AromaticContact CZ-CE1 3.18Å; Y118-H122 PolarHBondContact O-N 3.05Å; Y118-H122 VanDerWaalsContact O-N 3.08Å; Y118-H122 PolarHBondContact O-ND1 3.35Å; Y118-H122 PolarHBondContact OH-CE1 3.18Å; T119-H122 PolarHBondContact O-N 3.42Å; H122-Y124 VanDerWaalsContact C-N 3.31Å; H122-L125 PolarHBondContact O-N 2.74Å; H122-Q126 WeakPolarHBondContact O-CB 3.44Å; H122-Q126 PolarHBondContact O-N 3.22Å
123	F	85.9	Confident	83.2	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-44.8	171.2	-91.7	-117.9	0	0	0	111.3	Y67 F68 V104 F106 Y107 V108 L114 T119 R120 Y121 Q126 L127 F202	Y67-F123 HydrophobicContact CD1-CZ 4.36Å; Y67-F123 HydrophobicContact CG-CE2 4.29Å; Y67-F123 HydrophobicContact CG-CZ 4.21Å; F68-F123 HydrophobicContact CE1-CD2 4.13Å; F68-F123 HydrophobicContact CE1-CE2 4.2Å; F68-F123 AromaticContact CZ-CD2 3.94Å; F68-F123 HydrophobicContact CZ-CD2 3.94Å; F68-F123 AromaticContact CZ-CE2 3.93Å; F68-F123 HydrophobicContact CZ-CE2 3.93Å; V104-F123 HydrophobicContact CG1-CD1 4.28Å; V104-F123 HydrophobicContact CG1-CD2 4.24Å; V104-F123 HydrophobicContact CG1-CE1 3.86Å; V104-F123 HydrophobicContact CG1-CE2 3.8Å; V104-F123 HydrophobicContact CG1-CG 4.47Å; V104-F123 HydrophobicContact CG1-CZ 3.61Å; V104-F123 HydrophobicContact CG2-CD2 3.89Å; V104-F123 HydrophobicContact CG2-CE2 4.18Å; V104-F123 HydrophobicContact CG2-CG 4.18Å; F106-F123 WeakPolarHBondContact O-CZ 3.39Å; Y107-F123 HydrophobicContact CD1-CD1 4.31Å; Y107-F123 HydrophobicContact CD1-CE1 4.25Å; V108-F123 HydrophobicContact CG2-CE1 4.24Å; L114-F123 HydrophobicContact CD1-CB 4.44Å; L114-F123 HydrophobicContact CD1-CD1 3.84Å; L114-F123 HydrophobicContact CD1-CD2 4.03Å; L114-F123 HydrophobicContact CD1-CE1 3.96Å; L114-F123 HydrophobicContact CD1-CE2 4.16Å; L114-F123 HydrophobicContact CD1-CG 3.86Å; L114-F123 HydrophobicContact CD1-CZ 4.12Å; L114-F123 HydrophobicContact CD2-CE1 4.49Å; L114-F123 HydrophobicContact CD2-CE2 4.19Å; L114-F123 HydrophobicContact CD2-CZ 4.01Å; T119-F123 HydrophobicContact CG2-CD2 4.27Å; T119-F123 HydrophobicContact CG2-CE2 4.12Å; T119-F123 WeakPolarHBondContact O-CD2 3.33Å; T119-F123 PolarHBondContact O-N 2.86Å; T119-F123 VanDerWaalsContact O-N 3.1Å; R120-F123 WeakPolarHBondContact O-CB 3.48Å; R120-F123 PolarHBondContact O-N 3.45Å; Y121-F123 VanDerWaalsContact C-N 3.34Å; Y121-F123 PolarHBondContact O-N 2.92Å; F123-Q126 PolarHBondContact O-N 3.1Å; F123-L127 WeakPolarHBondContact O-CG 3.42Å; F123-L127 PolarHBondContact O-N 3.22Å; F123-F202 HydrophobicContact CB-CE2 4.19Å; F123-F202 HydrophobicContact CB-CZ 3.99Å; F123-F202 HydrophobicContact CD1-CZ 4.07Å
124	Y	82	Confident	83.1	Confident	15 Å²	15	31.1 Å²	31.1	6%	0.059	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-53.5	173.2	157.5	-109.5	0	0	0	112.1	R120 Y121 H122 Q126 L127 R128 A150 E154 I201	R120-Y124 PolarHBondContact O-N 3.18Å; Y121-Y124 AromaticContact CD2-CD1 3.91Å; Y121-Y124 HydrophobicContact CD2-CD1 3.91Å; Y121-Y124 AromaticContact CE2-CD1 3.88Å; Y121-Y124 HydrophobicContact CE2-CD1 3.88Å; Y121-Y124 HydrophobicContact CE2-CE1 4.1Å; Y121-Y124 VanDerWaalsContact O-CB 3.31Å; Y121-Y124 WeakPolarHBondContact O-CB 3.43Å; Y121-Y124 PolarHBondContact O-N 3.44Å; H122-Y124 VanDerWaalsContact C-N 3.31Å; Y124-Q126 VanDerWaalsContact C-N 3.26Å; Y124-Q126 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 3.37Å; Y124-L127 VanDerWaalsContact O-N 3.14Å; Y124-R128 HydrophobicContact CE2-CB 4.27Å; Y124-R128 WeakPolarHBondContact O-CB 3.29Å; Y124-R128 PolarHBondContact O-N 2.93Å; Y124-R128 WeakPolarHBondContact OH-CD 3.47Å; Y124-A150 HydrophobicContact CE2-CB 3.96Å; Y124-A150 WeakPolarHBondContact OH-CB 3.32Å; Y124-E154 PolarHBondContact OH-OE1 3.1Å; Y124-I201 HydrophobicContact CD2-CD1 3.87Å; Y124-I201 HydrophobicContact CD2-CG2 3.8Å; Y124-I201 HydrophobicContact CE2-CD1 4.16Å; Y124-I201 HydrophobicContact CG-CD1 4.09Å
125	L	87.9	Confident	82.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-41	-178.7	-70.3	178	0	0	0	111.9	L34 D35 Y121 H122 K129	L34-L125 HydrophobicContact CB-CB 3.85Å; L34-L125 HydrophobicContact CB-CD1 4.14Å; D35-L125 HydrophobicContact CB-CD1 4.06Å; Y121-L125 HydrophobicContact CD1-CD1 3.94Å; Y121-L125 HydrophobicContact CD1-CG 4.4Å; Y121-L125 HydrophobicContact CE1-CD1 3.48Å; Y121-L125 VanDerWaalsContact CE1-CD1 3.48Å; Y121-L125 HydrophobicContact CE1-CD2 4.44Å; Y121-L125 HydrophobicContact CE1-CG 4.04Å; Y121-L125 HydrophobicContact CE2-CD2 4.26Å; Y121-L125 HydrophobicContact CE2-CG 4.27Å; Y121-L125 WeakPolarHBondContact O-CG 3.28Å; Y121-L125 PolarHBondContact O-N 2.75Å; H122-L125 PolarHBondContact O-N 2.74Å; L125-K129 VanDerWaalsContact O-CB 3.31Å; L125-K129 WeakPolarHBondContact O-CB 3.42Å; L125-K129 PolarHBondContact O-N 2.85Å
126	Q	88.1	Confident	82.3	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-47.4	176.6	177.9	68.5	82.8	0	0	112.2	L34 R103 V104 Y107 H122 F123 Y124 K129 D130	L34-Q126 HydrophobicContact CD1-CB 3.9Å; L34-Q126 HydrophobicContact CD2-CB 4.09Å; R103-Q126 VanDerWaalsContact CA-OE1 3.25Å; V104-Q126 HydrophobicContact CB-CB 4.4Å; V104-Q126 HydrophobicContact CB-CG 3.97Å; V104-Q126 HydrophobicContact CG2-CB 3.66Å; V104-Q126 HydrophobicContact CG2-CG 3.79Å; V104-Q126 VanDerWaalsContact N-OE1 3.12Å; Y107-Q126 HydrophobicContact CE1-CG 4.49Å; Y107-Q126 WeakPolarHBondContact OH-CG 3.44Å; H122-Q126 WeakPolarHBondContact O-CB 3.44Å; H122-Q126 PolarHBondContact O-N 3.22Å; F123-Q126 PolarHBondContact O-N 3.1Å; Y124-Q126 VanDerWaalsContact C-N 3.26Å; Y124-Q126 PolarHBondContact O-N 3.42Å; Q126-K129 PolarHBondContact O-N 3.17Å; Q126-D130 PolarHBondContact NE2-OD1 3.03Å; Q126-D130 VanDerWaalsContact NE2-OD1 3.08Å; Q126-D130 PolarHBondContact NE2-OD2 2.96Å; Q126-D130 WeakPolarHBondContact O-CB 3.41Å; Q126-D130 PolarHBondContact O-N 2.8Å
127	L	80.8	Confident	81.7	Confident	18 Å²	18	38.7 Å²	38.7	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-46.9	179.3	-71.8	170.8	0	0	0	110.9	Y107 F123 Y124 K129 D130 I131 L136 F202	Y107-L127 HydrophobicContact CE1-CD2 3.98Å; Y107-L127 HydrophobicContact CE1-CG 4.46Å; F123-L127 WeakPolarHBondContact O-CG 3.42Å; F123-L127 PolarHBondContact O-N 3.22Å; Y124-L127 PolarHBondContact O-N 3.37Å; Y124-L127 VanDerWaalsContact O-N 3.14Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 3.17Å; L127-D130 PolarHBondContact O-N 3.33Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.65Å; L127-L136 HydrophobicContact CD2-CD2 3.99Å; L127-F202 HydrophobicContact CD1-CE1 3.83Å; L127-F202 HydrophobicContact CD1-CE2 4.19Å; L127-F202 HydrophobicContact CD1-CZ 3.57Å
128	R	82.9	Confident	81.2	Confident	72 Å²	72	37.8 Å²	37.8	27%	0.272	18%	0.182	S	C	.	.	H	α-helix	trans	-53.1	-49.4	174.8	-176.4	-179.5	72.1	164.9	6.9	110.7	Y124 I131 A132 E154	Y124-R128 HydrophobicContact CE2-CB 4.27Å; Y124-R128 WeakPolarHBondContact O-CB 3.29Å; Y124-R128 PolarHBondContact O-N 2.93Å; Y124-R128 WeakPolarHBondContact OH-CD 3.47Å; R128-I131 PolarHBondContact O-N 2.78Å; R128-A132 WeakPolarHBondContact O-CB 3.2Å; R128-A132 PolarHBondContact O-N 2.85Å; R128-E154 IonicContact CZ-OE1 2.73Å; R128-E154 IonicContact NH1-OE1 3.67Å; R128-E154 PolarHBondContact NH1-OE1 3.14Å; R128-E154 IonicContact NH1-OE2 3.5Å; R128-E154 PolarHBondContact NH1-OE2 2.98Å
129	K	87.2	Confident	80.4	Confident	73 Å²	73	37.1 Å²	37.1	32%	0.317	19%	0.185	S	C	.	.	H	α-helix	trans	-62.7	-44.4	178.6	-179.5	158.5	-175.1	45.9	0	112.5	L125 Q126 L127 I131 A132 D133	L125-K129 VanDerWaalsContact O-CB 3.31Å; L125-K129 WeakPolarHBondContact O-CB 3.42Å; L125-K129 PolarHBondContact O-N 2.85Å; Q126-K129 PolarHBondContact O-N 3.17Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 3.17Å; K129-I131 PolarHBondContact O-N 2.74Å; K129-A132 PolarHBondContact O-N 3.08Å; K129-D133 WeakPolarHBondContact CE-OD2 3.04Å; K129-D133 WeakPolarHBondContact CG-OD2 3.2Å; K129-D133 VanDerWaalsContact NZ-CG 3.27Å; K129-D133 IonicContact NZ-OD1 2.64Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å; K129-D133 IonicContact NZ-OD2 2.66Å; K129-D133 PolarHBondContact NZ-OD2 2.92Å; K129-D133 VanDerWaalsContact O-CB 3.24Å; K129-D133 WeakPolarHBondContact O-CB 3.3Å; K129-D133 PolarHBondContact O-N 2.81Å
130	D	82.1	Confident	79.9	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-70.5	-31.1	-177.6	-71.8	-27.3	0	0	0	112.5	R103 Q126 L127 G134 R135 L136	R103-D130 IonicContact NH1-OD1 2.66Å; R103-D130 PolarHBondContact NH1-OD1 3.07Å; Q126-D130 PolarHBondContact NE2-OD1 3.03Å; Q126-D130 VanDerWaalsContact NE2-OD1 3.08Å; Q126-D130 PolarHBondContact NE2-OD2 2.96Å; Q126-D130 WeakPolarHBondContact O-CB 3.41Å; Q126-D130 PolarHBondContact O-N 2.8Å; L127-D130 PolarHBondContact O-N 3.33Å; D130-G134 PolarHBondContact O-N 3.49Å; D130-R135 HydrophobicContact CB-CB 4.07Å; D130-R135 WeakPolarHBondContact O-CA 3.33Å; D130-R135 WeakPolarHBondContact O-CB 3.45Å; D130-R135 PolarHBondContact O-N 2.85Å; D130-R135 VanDerWaalsContact OD1-CD 3.3Å; D130-R135 WeakPolarHBondContact OD1-CD 3.31Å; D130-R135 IonicContact OD1-NH1 3.22Å; D130-L136 HydrophobicContact CB-CB 4.06Å; D130-L136 PolarHBondContact O-N 3.32Å
131	I	78.4	Confident	79.5	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.092	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-50.7	171.1	-62.6	168.5	0	0	0	110	L127 R128 K129 D133 G134 L136 V143 L146 F173 P175	L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.65Å; R128-I131 PolarHBondContact O-N 2.78Å; K129-I131 PolarHBondContact O-N 2.74Å; I131-D133 PolarHBondContact O-N 3.33Å; I131-G134 PolarHBondContact O-N 3.18Å; I131-L136 HydrophobicContact CD1-CD2 4.41Å; I131-L136 HydrophobicContact CG1-CB 4.05Å; I131-L136 HydrophobicContact CG1-CD2 3.84Å; I131-L136 HydrophobicContact CG1-CG 4.3Å; I131-V143 HydrophobicContact CG2-CG2 4.1Å; I131-L146 HydrophobicContact CD1-CD1 3.89Å; I131-F173 VanDerWaalsContact CG2-O 3.28Å; I131-F173 WeakPolarHBondContact CG2-O 3.37Å; I131-P175 WeakPolarHBondContact O-CD 3.42Å
132	A	85	Confident	78.9	Confident	10 Å²	10	42.1 Å²	42.1	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-43.5	179.8	0	0	0	0	0	112.4	R128 K129 G134 P175	R128-A132 WeakPolarHBondContact O-CB 3.2Å; R128-A132 PolarHBondContact O-N 2.85Å; K129-A132 PolarHBondContact O-N 3.08Å; A132-G134 PolarHBondContact O-N 2.77Å; A132-P175 WeakPolarHBondContact O-CD 3.43Å
133	D	83	Confident	78.4	Confident	74 Å²	74	42.6 Å²	42.6	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.7	176.7	-67.4	-8.2	0	0	0	112.7	K129 I131 R135	K129-D133 WeakPolarHBondContact CE-OD2 3.04Å; K129-D133 WeakPolarHBondContact CG-OD2 3.2Å; K129-D133 VanDerWaalsContact NZ-CG 3.27Å; K129-D133 IonicContact NZ-OD1 2.64Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å; K129-D133 IonicContact NZ-OD2 2.66Å; K129-D133 PolarHBondContact NZ-OD2 2.92Å; K129-D133 VanDerWaalsContact O-CB 3.24Å; K129-D133 WeakPolarHBondContact O-CB 3.3Å; K129-D133 PolarHBondContact O-N 2.81Å; I131-D133 PolarHBondContact O-N 3.33Å; D133-R135 HydrophobicContact CB-CG 4.1Å; D133-R135 PolarHBondContact O-N 2.79Å
134	G	74.1	Confident	78.1	Confident	39 Å²	39	43.1 Å²	43.1	40%	0.402	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	16.3	-177	0	0	0	0	0	114.5	D130 I131 A132	D130-G134 PolarHBondContact O-N 3.49Å; I131-G134 PolarHBondContact O-N 3.18Å; A132-G134 PolarHBondContact O-N 2.77Å
135	R	73.4	Confident	77.8	Confident	138 Å²	138	44.6 Å²	44.6	52%	0.521	24%	0.24	S	C	.	.	S	Bend	trans	-74.5	-34.6	173.7	-67.1	176.2	174.1	-161.8	-1.5	111.1	D130 D133	D130-R135 HydrophobicContact CB-CB 4.07Å; D130-R135 WeakPolarHBondContact O-CA 3.33Å; D130-R135 WeakPolarHBondContact O-CB 3.45Å; D130-R135 PolarHBondContact O-N 2.85Å; D130-R135 VanDerWaalsContact OD1-CD 3.3Å; D130-R135 WeakPolarHBondContact OD1-CD 3.31Å; D130-R135 IonicContact OD1-NH1 3.22Å; D133-R135 HydrophobicContact CB-CG 4.1Å; D133-R135 PolarHBondContact O-N 2.79Å
136	L	73	Confident	77.2	Confident	10 Å²	10	45.9 Å²	45.9	5%	0.052	25%	0.246	C	C	.	.	S	Bend	trans	-106.9	116.2	175.9	-165.4	61.6	0	0	0	110.3	L127 D130 I131 T205	L127-L136 HydrophobicContact CD2-CD2 3.99Å; D130-L136 HydrophobicContact CB-CB 4.06Å; D130-L136 PolarHBondContact O-N 3.32Å; I131-L136 HydrophobicContact CD1-CD2 4.41Å; I131-L136 HydrophobicContact CG1-CB 4.05Å; I131-L136 HydrophobicContact CG1-CD2 3.84Å; I131-L136 HydrophobicContact CG1-CG 4.3Å; L136-T205 VanDerWaalsContact CD1-O 3.24Å; L136-T205 WeakPolarHBondContact CD1-O 3.45Å; L136-T205 VanDerWaalsContact CD1-OG1 3.31Å; L136-T205 WeakPolarHBondContact CD1-OG1 3.49Å; L136-T205 WeakPolarHBondContact CD2-O 3.43Å; L136-T205 WeakPolarHBondContact CG-OG1 3.13Å
137	I	70.6	Confident	77	Confident	124 Å²	124	45.9 Å²	45.9	64%	0.636	25%	0.247	S	C	*	.			trans	-86.1	116.8	-178.3	-57.3	173.1	0	0	0	108.5
138	C	66	Low	77.1	Confident	32 Å²	32	45 Å²	45	22%	0.216	24%	0.242	C	C	.	.			trans	-120	151.6	176	-67.3	0	0	0	0	110.2	V143	C138-V143 HydrophobicContact CB-CG2 3.67Å
139	S	69.5	Low	76.6	Confident	36 Å²	36	43.6 Å²	43.6	25%	0.252	24%	0.237	S	C	.	.			trans	-67.8	157.1	168.8	64.6	0	0	0	0	110.4	S141 S142 V143	S139-S141 PolarHBondContact O-N 3.37Å; S139-S141 PolarHBondContact OG-OG 3.28Å; S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact OG-N 2.8Å; S139-S142 PolarHBondContact OG-OG 3.35Å; S139-S142 VanDerWaalsContact OG-OG 3.08Å; S139-V143 WeakPolarHBondContact O-CG2 3.49Å; S139-V143 PolarHBondContact O-N 2.94Å
140	E	77.1	Confident	76.3	Confident	98 Å²	98	40.3 Å²	40.3	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-55.7	-43	175.6	-173.5	-174.6	115.7	0	0	111	S142 V143 I144 I181 K184	E140-S142 PolarHBondContact O-N 3.44Å; E140-V143 PolarHBondContact O-N 2.97Å; E140-I144 HydrophobicContact CG-CD1 3.78Å; E140-I144 HydrophobicContact CG-CG1 4.44Å; E140-I144 WeakPolarHBondContact O-CD1 3.05Å; E140-I144 VanDerWaalsContact O-CG1 3.26Å; E140-I144 WeakPolarHBondContact O-CG1 3.19Å; E140-I144 PolarHBondContact O-N 3.3Å; E140-I181 HydrophobicContact CG-CD1 3.98Å; E140-I181 HydrophobicContact CG-CG1 3.84Å; E140-K184 IonicContact OE1-NZ 2.97Å; E140-K184 PolarHBondContact OE1-NZ 2.67Å
141	S	71.5	Confident	76.4	Confident	59 Å²	59	39.4 Å²	39.4	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-46.9	177.6	48.1	0	0	0	0	112.5	S139 I144 V145	S139-S141 PolarHBondContact O-N 3.37Å; S139-S141 PolarHBondContact OG-OG 3.28Å; S141-I144 PolarHBondContact O-N 2.95Å; S141-V145 WeakPolarHBondContact O-CG2 3.27Å; S141-V145 PolarHBondContact O-N 2.95Å
142	S	71.2	Confident	76.4	Confident	42 Å²	42	38.7 Å²	38.7	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-40.7	176.7	-61.7	0	0	0	0	112.4	S139 E140 I144 V145 L146	S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact OG-N 2.8Å; S139-S142 PolarHBondContact OG-OG 3.35Å; S139-S142 VanDerWaalsContact OG-OG 3.08Å; E140-S142 PolarHBondContact O-N 3.44Å; S142-I144 VanDerWaalsContact C-N 3.32Å; S142-I144 PolarHBondContact O-N 3.44Å; S142-V145 PolarHBondContact O-N 3.25Å; S142-L146 WeakPolarHBondContact O-CB 3.36Å; S142-L146 VanDerWaalsContact O-CG 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.34Å; S142-L146 PolarHBondContact O-N 3.17Å
143	V	76.9	Confident	75.8	Confident	11 Å²	11	39 Å²	39	7%	0.067	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-46.2	176.4	170.2	0	0	0	0	110.5	I131 C138 S139 E140 V145 L146 A147 F173 A174	I131-V143 HydrophobicContact CG2-CG2 4.1Å; C138-V143 HydrophobicContact CB-CG2 3.67Å; S139-V143 WeakPolarHBondContact O-CG2 3.49Å; S139-V143 PolarHBondContact O-N 2.94Å; E140-V143 PolarHBondContact O-N 2.97Å; V143-V145 PolarHBondContact O-N 2.75Å; V143-L146 PolarHBondContact O-N 3.08Å; V143-A147 WeakPolarHBondContact O-CB 3.42Å; V143-A147 PolarHBondContact O-N 3.39Å; V143-F173 HydrophobicContact CG1-CB 4.47Å; V143-A174 HydrophobicContact CG1-CB 3.85Å
144	I	80.2	Confident	75.6	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.062	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-48.3	-179.9	-70.9	158.2	0	0	0	111.2	E140 S141 S142 A147 S148 I181 K184 V185 L188	E140-I144 HydrophobicContact CG-CD1 3.78Å; E140-I144 HydrophobicContact CG-CG1 4.44Å; E140-I144 WeakPolarHBondContact O-CD1 3.05Å; E140-I144 VanDerWaalsContact O-CG1 3.26Å; E140-I144 WeakPolarHBondContact O-CG1 3.19Å; E140-I144 PolarHBondContact O-N 3.3Å; S141-I144 PolarHBondContact O-N 2.95Å; S142-I144 VanDerWaalsContact C-N 3.32Å; S142-I144 PolarHBondContact O-N 3.44Å; I144-A147 PolarHBondContact O-N 2.86Å; I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.35Å; I144-I181 HydrophobicContact CG1-CG2 3.94Å; I144-K184 HydrophobicContact CD1-CB 4.18Å; I144-K184 HydrophobicContact CD1-CD 3.45Å; I144-K184 VanDerWaalsContact CD1-CD 3.45Å; I144-K184 HydrophobicContact CD1-CG 4.48Å; I144-K184 HydrophobicContact CG1-CB 4.36Å; I144-K184 HydrophobicContact CG1-CD 4.45Å; I144-K184 HydrophobicContact CG2-CB 3.79Å; I144-V185 HydrophobicContact CB-CG2 4.42Å; I144-V185 HydrophobicContact CG2-CG2 4.2Å; I144-L188 HydrophobicContact CG2-CD1 3.68Å
145	V	74.4	Confident	76	Confident	45 Å²	45	37.9 Å²	37.9	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-65.2	-48.1	-179	173.2	0	0	0	0	110.7	S141 S142 V143 A147 S148 Y149 L188	S141-V145 WeakPolarHBondContact O-CG2 3.27Å; S141-V145 PolarHBondContact O-N 2.95Å; S142-V145 PolarHBondContact O-N 3.25Å; V143-V145 PolarHBondContact O-N 2.75Å; V145-A147 PolarHBondContact O-N 3.11Å; V145-S148 PolarHBondContact O-N 3.24Å; V145-S148 PolarHBondContact O-OG 3.47Å; V145-Y149 HydrophobicContact CG1-CD2 3.85Å; V145-Y149 HydrophobicContact CG1-CE2 3.49Å; V145-Y149 VanDerWaalsContact CG1-CE2 3.49Å; V145-Y149 VanDerWaalsContact O-CD2 3.26Å; V145-Y149 WeakPolarHBondContact O-CD2 3.34Å; V145-Y149 PolarHBondContact O-N 3.21Å; V145-Y149 VanDerWaalsContact O-N 3.13Å; V145-L188 HydrophobicContact CG2-CD1 4.17Å
146	L	76.4	Confident	76.4	Confident	29 Å²	29	32.6 Å²	32.6	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-42	178.7	-69.8	172.9	0	0	0	112.1	I131 S142 V143 S148 Y149 A150 W203	I131-L146 HydrophobicContact CD1-CD1 3.89Å; S142-L146 WeakPolarHBondContact O-CB 3.36Å; S142-L146 VanDerWaalsContact O-CG 3.25Å; S142-L146 WeakPolarHBondContact O-CG 3.34Å; S142-L146 PolarHBondContact O-N 3.17Å; V143-L146 PolarHBondContact O-N 3.08Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-Y149 PolarHBondContact O-N 3.43Å; L146-A150 WeakPolarHBondContact O-CB 3.29Å; L146-A150 PolarHBondContact O-N 3.09Å; L146-W203 HydrophobicContact CD2-CB 4.37Å
147	A	83.6	Confident	76.8	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-41.6	174.8	0	0	0	0	0	111.3	V143 I144 V145 Y149 A150 V151 F173 V185	V143-A147 WeakPolarHBondContact O-CB 3.42Å; V143-A147 PolarHBondContact O-N 3.39Å; I144-A147 PolarHBondContact O-N 2.86Å; V145-A147 PolarHBondContact O-N 3.11Å; A147-Y149 VanDerWaalsContact C-N 3.3Å; A147-Y149 PolarHBondContact O-N 3.14Å; A147-A150 WeakPolarHBondContact O-CB 3.17Å; A147-A150 PolarHBondContact O-N 3.26Å; A147-V151 VanDerWaalsContact O-CG2 3.29Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 3.2Å; A147-F173 HydrophobicContact CB-CB 3.96Å; A147-F173 HydrophobicContact CB-CD1 3.71Å; A147-F173 HydrophobicContact CB-CD2 3.6Å; A147-F173 HydrophobicContact CB-CE1 4.03Å; A147-F173 HydrophobicContact CB-CE2 3.92Å; A147-F173 HydrophobicContact CB-CG 3.47Å; A147-F173 VanDerWaalsContact CB-CG 3.47Å; A147-F173 HydrophobicContact CB-CZ 4.12Å; A147-V185 HydrophobicContact CB-CG1 4.05Å; A147-V185 HydrophobicContact CB-CG2 3.67Å
148	S	82.2	Confident	77.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-38.5	177.5	79.5	0	0	0	0	112.6	I144 V145 L146 Q152 H192	I144-S148 WeakPolarHBondContact O-CB 3.4Å; I144-S148 PolarHBondContact O-N 3.35Å; V145-S148 PolarHBondContact O-N 3.24Å; V145-S148 PolarHBondContact O-OG 3.47Å; L146-S148 VanDerWaalsContact C-N 3.34Å; S148-Q152 WeakPolarHBondContact O-CB 3.32Å; S148-Q152 PolarHBondContact O-N 3.28Å; S148-H192 PolarHBondContact OG-NE2 2.8Å
149	Y	73.9	Confident	78.3	Confident	43 Å²	43	34.3 Å²	34.3	17%	0.169	20%	0.195	C	C	.	.	H	α-helix	trans	-74.5	-32.3	175.4	-71.1	-53.6	0	0	0	113	V145 L146 A147 S153 H192 T200	V145-Y149 HydrophobicContact CG1-CD2 3.85Å; V145-Y149 HydrophobicContact CG1-CE2 3.49Å; V145-Y149 VanDerWaalsContact CG1-CE2 3.49Å; V145-Y149 VanDerWaalsContact O-CD2 3.26Å; V145-Y149 WeakPolarHBondContact O-CD2 3.34Å; V145-Y149 PolarHBondContact O-N 3.21Å; V145-Y149 VanDerWaalsContact O-N 3.13Å; L146-Y149 PolarHBondContact O-N 3.43Å; A147-Y149 VanDerWaalsContact C-N 3.3Å; A147-Y149 PolarHBondContact O-N 3.14Å; Y149-S153 WeakPolarHBondContact O-CB 3.46Å; Y149-S153 PolarHBondContact O-N 3.17Å; Y149-S153 PolarHBondContact O-OG 3.46Å; Y149-H192 AromaticContact CD1-CE1 3.85Å; Y149-H192 AromaticContact CD1-NE2 3.74Å; Y149-H192 AromaticContact CE1-CE1 3.28Å; Y149-H192 WeakPolarHBondContact CE1-CE1 3.15Å; Y149-H192 AromaticContact CE1-ND1 3.77Å; Y149-H192 AromaticContact CE1-NE2 3.67Å; Y149-H192 AromaticContact CZ-CE1 3.79Å; Y149-T200 HydrophobicContact CD1-CG2 3.7Å; Y149-T200 HydrophobicContact CE1-CG2 3.28Å; Y149-T200 HydrophobicContact CE2-CG2 4.44Å; Y149-T200 HydrophobicContact CG-CG2 4.46Å
150	A	79.7	Confident	79	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-48.4	171.3	0	0	0	0	0	110.6	Y124 L146 A147 S153 E154 F173	Y124-A150 HydrophobicContact CE2-CB 3.96Å; Y124-A150 WeakPolarHBondContact OH-CB 3.32Å; L146-A150 WeakPolarHBondContact O-CB 3.29Å; L146-A150 PolarHBondContact O-N 3.09Å; A147-A150 WeakPolarHBondContact O-CB 3.17Å; A147-A150 PolarHBondContact O-N 3.26Å; A150-S153 PolarHBondContact O-N 3.23Å; A150-E154 WeakPolarHBondContact O-CG 3.3Å; A150-E154 PolarHBondContact O-N 2.91Å; A150-F173 HydrophobicContact CB-CE1 3.89Å
151	V	84.4	Confident	79.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-52.9	175.3	177.4	0	0	0	0	110.6	A147 S153 E154 L155 Y167 L168 F173 V185 H189	A147-V151 VanDerWaalsContact O-CG2 3.29Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 3.2Å; V151-S153 PolarHBondContact O-N 2.94Å; V151-E154 PolarHBondContact O-N 3.18Å; V151-L155 HydrophobicContact CG1-CB 4.5Å; V151-L155 HydrophobicContact CG1-CD1 3.76Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 2.72Å; V151-Y167 HydrophobicContact CG1-CE2 4.09Å; V151-L168 HydrophobicContact CB-CD2 4.36Å; V151-L168 HydrophobicContact CG1-CD2 3.75Å; V151-L168 HydrophobicContact CG2-CD2 3.55Å; V151-F173 HydrophobicContact CG2-CE1 4.44Å; V151-F173 HydrophobicContact CG2-CE2 4.14Å; V151-F173 HydrophobicContact CG2-CZ 3.51Å; V151-V185 HydrophobicContact CG2-CG1 4.02Å; V151-H189 HydrophobicContact CG1-CB 4.33Å; V151-H189 VanDerWaalsContact CG1-CE1 3.47Å; V151-H189 WeakPolarHBondContact CG1-CE1 3.47Å; V151-H189 VanDerWaalsContact CG1-ND1 3.32Å; V151-H189 WeakPolarHBondContact CG1-ND1 3.36Å
152	Q	78.1	Confident	79.8	Confident	4 Å²	4	44 Å²	44	2%	0.019	24%	0.238	C	C	.	.	H	α-helix	trans	-54.9	-37.5	177.3	-178.1	69.4	18.8	0	0	111.9	S148 G156 D157 H189 H192 L194 P196	S148-Q152 WeakPolarHBondContact O-CB 3.32Å; S148-Q152 PolarHBondContact O-N 3.28Å; Q152-G156 WeakPolarHBondContact O-CA 3.37Å; Q152-G156 PolarHBondContact O-N 2.88Å; Q152-G156 PolarHBondContact OE1-O 3.38Å; Q152-D157 PolarHBondContact NE2-OD1 3.49Å; Q152-H189 PolarHBondContact OE1-CD2 3.33Å; Q152-H189 PolarHBondContact OE1-NE2 3.13Å; Q152-H192 HydrophobicContact CG-CB 4.08Å; Q152-H192 VanDerWaalsContact OE1-CB 3.31Å; Q152-L194 PolarHBondContact NE2-O 2.71Å; Q152-L194 VanDerWaalsContact NE2-O 3.15Å; Q152-P196 HydrophobicContact CG-CB 4.36Å; Q152-P196 HydrophobicContact CG-CG 4.19Å
153	S	73.7	Confident	80.5	Confident	16 Å²	16	42.6 Å²	42.6	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-75.2	-24.3	-178.8	-67.3	0	0	0	0	114.5	Y149 A150 V151 I201 R333	Y149-S153 WeakPolarHBondContact O-CB 3.46Å; Y149-S153 PolarHBondContact O-N 3.17Å; Y149-S153 PolarHBondContact O-OG 3.46Å; A150-S153 PolarHBondContact O-N 3.23Å; V151-S153 PolarHBondContact O-N 2.94Å; S153-I201 VanDerWaalsContact OG-CD1 3.24Å; S153-I201 WeakPolarHBondContact OG-CD1 3.48Å; S153-R333 PolarHBondContact O-NH1 2.8Å
154	E	78.1	Confident	80.9	Confident	37 Å²	37	50.8 Å²	50.8	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-99.1	-37.9	-178.5	-72.3	-178.7	-137	0	0	112.4	Y124 R128 A150 V151	Y124-E154 PolarHBondContact OH-OE1 3.1Å; R128-E154 IonicContact CZ-OE1 2.73Å; R128-E154 IonicContact NH1-OE1 3.67Å; R128-E154 PolarHBondContact NH1-OE1 3.14Å; R128-E154 IonicContact NH1-OE2 3.5Å; R128-E154 PolarHBondContact NH1-OE2 2.98Å; A150-E154 WeakPolarHBondContact O-CG 3.3Å; A150-E154 PolarHBondContact O-N 2.91Å; V151-E154 PolarHBondContact O-N 3.18Å
155	L	83	Confident	80.8	Confident	52 Å²	52	59.3 Å²	59.3	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-102.4	-14.9	-176.4	-55.6	-171.8	0	0	0	113.7	V151 Y167 F171	V151-L155 HydrophobicContact CG1-CB 4.5Å; V151-L155 HydrophobicContact CG1-CD1 3.76Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 2.72Å; L155-Y167 HydrophobicContact CD1-CD2 3.67Å; L155-Y167 HydrophobicContact CD1-CE2 3.74Å; L155-F171 HydrophobicContact CD1-CE2 4.19Å; L155-F171 HydrophobicContact CD1-CZ 4.29Å; L155-F171 HydrophobicContact CD2-CZ 4.23Å; L155-F171 HydrophobicContact CG-CZ 4.19Å
156	G	80	Confident	81.1	Confident	27 Å²	27	59.8 Å²	59.8	28%	0.278	31%	0.305	S	S	.	.			trans	77.6	-156.6	-172.2	0	0	0	0	0	112	Q152 H189	Q152-G156 WeakPolarHBondContact O-CA 3.37Å; Q152-G156 PolarHBondContact O-N 2.88Å; Q152-G156 PolarHBondContact OE1-O 3.38Å; G156-H189 PolarHBondContact O-NE2 3.26Å
157	D	81.9	Confident	81.7	Confident	91 Å²	91	60.6 Å²	60.6	49%	0.487	31%	0.306	S	S	.	.	S	Bend	trans	-66.6	146.6	179.3	-69.7	-29	0	0	0	111.9	Q152 N159	Q152-D157 PolarHBondContact NE2-OD1 3.49Å; D157-N159 PolarHBondContact O-N 3.31Å; D157-N159 VanDerWaalsContact O-N 3.12Å
158	H	83.3	Confident	82	Confident	40 Å²	40	60.9 Å²	60.9	19%	0.185	31%	0.307	C	S	.	.			trans	-65.6	114.6	178.5	176.4	-75.3	0	0	0	112.6	R190	H158-R190 HydrophobicContact CB-CG 4.28Å; H158-R190 VanDerWaalsContact CD2-CG 3.43Å; H158-R190 WeakPolarHBondContact CD2-CG 3.42Å; H158-R190 WeakPolarHBondContact NE2-CG 3.16Å
159	N	84.2	Confident	82.1	Confident	71 Å²	71	68.3 Å²	68.3	38%	0.38	34%	0.342	S	S	.	.			trans	-102	124.2	166.8	-176.7	-25.8	0	0	0	111.3	D157 E161 E162 H163	D157-N159 PolarHBondContact O-N 3.31Å; D157-N159 VanDerWaalsContact O-N 3.12Å; N159-E161 VanDerWaalsContact C-N 3.29Å; N159-E161 PolarHBondContact O-N 3.2Å; N159-E161 WeakPolarHBondContact OD1-CB 3.36Å; N159-E161 PolarHBondContact OD1-N 3.12Å; N159-E162 HydrophobicContact CB-CB 4.09Å; N159-E162 PolarHBondContact O-N 3.35Å; N159-H163 PolarHBondContact N-ND1 3.34Å; N159-H163 WeakPolarHBondContact O-CA 3.34Å; N159-H163 VanDerWaalsContact O-CB 3.28Å; N159-H163 WeakPolarHBondContact O-CB 3.43Å; N159-H163 PolarHBondContact O-N 3Å
160	T	84.6	Confident	82.6	Confident	111 Å²	111	72.3 Å²	72.3	68%	0.681	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.5	-179.3	-50.6	0	0	0	0	114
161	E	82.5	Confident	83	Confident	155 Å²	155	73.2 Å²	73.2	72%	0.724	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-35.5	-179.8	-62.9	-170.2	163.5	0	0	112.6	N159 R164	N159-E161 VanDerWaalsContact C-N 3.29Å; N159-E161 PolarHBondContact O-N 3.2Å; N159-E161 WeakPolarHBondContact OD1-CB 3.36Å; N159-E161 PolarHBondContact OD1-N 3.12Å; E161-R164 WeakPolarHBondContact O-CG 3.36Å; E161-R164 PolarHBondContact O-NE 2.83Å
162	E	82.8	Confident	83.2	Confident	130 Å²	130	78.5 Å²	78.5	61%	0.607	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-46.6	-179.1	-172.5	173.8	-176.6	0	0	111.6	N159 R164	N159-E162 HydrophobicContact CB-CB 4.09Å; N159-E162 PolarHBondContact O-N 3.35Å; E162-R164 PolarHBondContact O-N 2.89Å
163	H	87.2	Confident	83.5	Confident	14 Å²	14	78.8 Å²	78.8	7%	0.065	40%	0.4	C	S	.	.	S	Bend	trans	-94.3	64.3	-178	-54.8	140.5	0	0	0	111.7	N159 Y167 H189	N159-H163 PolarHBondContact N-ND1 3.34Å; N159-H163 WeakPolarHBondContact O-CA 3.34Å; N159-H163 VanDerWaalsContact O-CB 3.28Å; N159-H163 WeakPolarHBondContact O-CB 3.43Å; N159-H163 PolarHBondContact O-N 3Å; H163-Y167 HydrophobicContact CB-CD1 3.95Å; H163-Y167 HydrophobicContact CB-CD2 3.83Å; H163-Y167 HydrophobicContact CB-CE1 4.09Å; H163-Y167 HydrophobicContact CB-CE2 3.99Å; H163-Y167 HydrophobicContact CB-CG 3.8Å; H163-Y167 AromaticContact CD2-CD2 3.81Å; H163-Y167 AromaticContact CG-CD2 3.92Å; H163-H189 AromaticContact CE1-CE1 3.9Å; H163-H189 AromaticContact ND1-CE1 3.78Å
164	R	84	Confident	83.9	Confident	183 Å²	183	78.5 Å²	78.5	69%	0.691	40%	0.398	S	S	*	.			trans	-69.3	-174.3	176.4	-59.1	-175.1	-171.3	-178.4	-0.6	111.8	E161 E162 Y167	E161-R164 WeakPolarHBondContact O-CG 3.36Å; E161-R164 PolarHBondContact O-NE 2.83Å; E162-R164 PolarHBondContact O-N 2.89Å; R164-Y167 WeakPolarHBondContact O-CD1 3.19Å; R164-Y167 PolarHBondContact O-N 2.8Å
165	E	78	Confident	84	Confident	191 Å²	191	80.2 Å²	80.2	89%	0.893	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	145.1	174.2	-63.4	-170.2	166	0	0	111.4	Y167	E165-Y167 PolarHBondContact O-N 3.18Å; E165-Y167 VanDerWaalsContact O-N 3.16Å
166	A	81.3	Confident	83.9	Confident	55 Å²	55	84.2 Å²	84.2	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	8.8	177.9	0	0	0	0	0	117.5	L168 E169	A166-L168 PolarHBondContact O-N 3.18Å; A166-E169 HydrophobicContact CB-CG 3.77Å; A166-E169 WeakPolarHBondContact CB-OE1 3.44Å; A166-E169 WeakPolarHBondContact O-CB 3.5Å; A166-E169 WeakPolarHBondContact O-CG 3.36Å; A166-E169 PolarHBondContact O-N 3.18Å
167	Y	88.9	Confident	84.1	Confident	45 Å²	45	85.5 Å²	85.5	18%	0.176	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.9	178.8	80.1	-79.6	0	0	0	115.4	V151 L155 H163 R164 E165 A186 H189	V151-Y167 HydrophobicContact CG1-CE2 4.09Å; L155-Y167 HydrophobicContact CD1-CD2 3.67Å; L155-Y167 HydrophobicContact CD1-CE2 3.74Å; H163-Y167 HydrophobicContact CB-CD1 3.95Å; H163-Y167 HydrophobicContact CB-CD2 3.83Å; H163-Y167 HydrophobicContact CB-CE1 4.09Å; H163-Y167 HydrophobicContact CB-CE2 3.99Å; H163-Y167 HydrophobicContact CB-CG 3.8Å; H163-Y167 AromaticContact CD2-CD2 3.81Å; H163-Y167 AromaticContact CG-CD2 3.92Å; R164-Y167 WeakPolarHBondContact O-CD1 3.19Å; R164-Y167 PolarHBondContact O-N 2.8Å; E165-Y167 PolarHBondContact O-N 3.18Å; E165-Y167 VanDerWaalsContact O-N 3.16Å; Y167-A186 HydrophobicContact CE1-CB 4.26Å; Y167-H189 AromaticContact CE2-ND1 3.63Å; Y167-H189 AromaticContact CZ-ND1 3.59Å; Y167-H189 PolarHBondContact OH-ND1 3.38Å
168	L	89.7	Confident	84.4	Confident	10 Å²	10	84 Å²	84	5%	0.052	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.1	177.3	-59.3	179.6	0	0	0	114.4	V151 A166 T170 F171 M182 V185 A186	V151-L168 HydrophobicContact CB-CD2 4.36Å; V151-L168 HydrophobicContact CG1-CD2 3.75Å; V151-L168 HydrophobicContact CG2-CD2 3.55Å; A166-L168 PolarHBondContact O-N 3.18Å; L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 2.89Å; L168-F171 HydrophobicContact CD2-CD2 4.14Å; L168-F171 HydrophobicContact CD2-CE2 4.31Å; L168-F171 WeakPolarHBondContact O-CB 3.4Å; L168-F171 PolarHBondContact O-N 3.03Å; L168-F171 VanDerWaalsContact O-N 3.09Å; L168-M182 HydrophobicContact CB-CE 3.34Å; L168-M182 HydrophobicContact CD1-CE 4.04Å; L168-M182 HydrophobicContact CG-CE 4.3Å; L168-M182 WeakPolarHBondContact O-CE 3.48Å; L168-V185 HydrophobicContact CD1-CB 4.33Å; L168-V185 HydrophobicContact CD1-CG1 3.94Å; L168-A186 HydrophobicContact CD1-CB 3.86Å
169	E	85.3	Confident	84.6	Confident	156 Å²	156	87 Å²	87	73%	0.729	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.2	-175.2	-80.8	-178	177	0	0	114	A166 F171	A166-E169 HydrophobicContact CB-CG 3.77Å; A166-E169 WeakPolarHBondContact CB-OE1 3.44Å; A166-E169 WeakPolarHBondContact O-CB 3.5Å; A166-E169 WeakPolarHBondContact O-CG 3.36Å; A166-E169 PolarHBondContact O-N 3.18Å; E169-F171 PolarHBondContact O-N 3.04Å
170	T	83.9	Confident	84.7	Confident	127 Å²	127	85.5 Å²	85.5	78%	0.779	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.6	178.4	55.9	0	0	0	0	113.1	L168	L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 2.89Å
171	F	88.2	Confident	84.8	Confident	23 Å²	23	80.8 Å²	80.8	10%	0.101	42%	0.418	C	S	.	.			trans	-88.2	135.9	-178.5	-72.5	-96.4	0	0	0	112	L155 L168 E169 F173 Q177	L155-F171 HydrophobicContact CD1-CE2 4.19Å; L155-F171 HydrophobicContact CD1-CZ 4.29Å; L155-F171 HydrophobicContact CD2-CZ 4.23Å; L155-F171 HydrophobicContact CG-CZ 4.19Å; L168-F171 HydrophobicContact CD2-CD2 4.14Å; L168-F171 HydrophobicContact CD2-CE2 4.31Å; L168-F171 WeakPolarHBondContact O-CB 3.4Å; L168-F171 PolarHBondContact O-N 3.03Å; L168-F171 VanDerWaalsContact O-N 3.09Å; E169-F171 PolarHBondContact O-N 3.04Å; F171-F173 HydrophobicContact CB-CD2 4.11Å; F171-F173 HydrophobicContact CB-CE1 4.09Å; F171-F173 HydrophobicContact CB-CE2 3.39Å; F171-F173 HydrophobicContact CB-CZ 3.38Å; F171-F173 AromaticContact CD1-CE1 3.6Å; F171-F173 HydrophobicContact CD1-CE1 3.6Å; F171-F173 HydrophobicContact CD1-CE2 4.19Å; F171-F173 AromaticContact CD1-CZ 3.26Å; F171-F173 HydrophobicContact CD1-CZ 3.26Å; F171-F173 HydrophobicContact CE1-CE1 4.45Å; F171-F173 HydrophobicContact CE1-CZ 4.16Å; F171-F173 HydrophobicContact CG-CE1 4.22Å; F171-F173 AromaticContact CG-CE2 3.99Å; F171-F173 HydrophobicContact CG-CE2 3.99Å; F171-F173 AromaticContact CG-CZ 3.5Å; F171-F173 HydrophobicContact CG-CZ 3.5Å; F171-F173 VanDerWaalsContact CG-CZ 3.5Å; F171-Q177 PolarHBondContact O-NE2 3.08Å
172	H	88.6	Confident	85.2	Confident	110 Å²	110	74.7 Å²	74.7	51%	0.509	39%	0.39	S	S	.	.			trans	-123.7	101	173.3	-171.7	59.5	0	0	0	110.3	A174	H172-A174 PolarHBondContact CE1-O 3.21Å
173	F	84.9	Confident	85.5	Confident	10 Å²	10	76 Å²	76	4%	0.044	39%	0.389	C	S	.	.			trans	-98.5	-26	-175.1	-59.3	-63.6	0	0	0	113.7	I131 V143 A147 A150 V151 F171 M182 V185	I131-F173 VanDerWaalsContact CG2-O 3.28Å; I131-F173 WeakPolarHBondContact CG2-O 3.37Å; V143-F173 HydrophobicContact CG1-CB 4.47Å; A147-F173 HydrophobicContact CB-CB 3.96Å; A147-F173 HydrophobicContact CB-CD1 3.71Å; A147-F173 HydrophobicContact CB-CD2 3.6Å; A147-F173 HydrophobicContact CB-CE1 4.03Å; A147-F173 HydrophobicContact CB-CE2 3.92Å; A147-F173 HydrophobicContact CB-CG 3.47Å; A147-F173 VanDerWaalsContact CB-CG 3.47Å; A147-F173 HydrophobicContact CB-CZ 4.12Å; A150-F173 HydrophobicContact CB-CE1 3.89Å; V151-F173 HydrophobicContact CG2-CE1 4.44Å; V151-F173 HydrophobicContact CG2-CE2 4.14Å; V151-F173 HydrophobicContact CG2-CZ 3.51Å; F171-F173 HydrophobicContact CB-CD2 4.11Å; F171-F173 HydrophobicContact CB-CE1 4.09Å; F171-F173 HydrophobicContact CB-CE2 3.39Å; F171-F173 HydrophobicContact CB-CZ 3.38Å; F171-F173 AromaticContact CD1-CE1 3.6Å; F171-F173 HydrophobicContact CD1-CE1 3.6Å; F171-F173 HydrophobicContact CD1-CE2 4.19Å; F171-F173 AromaticContact CD1-CZ 3.26Å; F171-F173 HydrophobicContact CD1-CZ 3.26Å; F171-F173 HydrophobicContact CE1-CE1 4.45Å; F171-F173 HydrophobicContact CE1-CZ 4.16Å; F171-F173 HydrophobicContact CG-CE1 4.22Å; F171-F173 AromaticContact CG-CE2 3.99Å; F171-F173 HydrophobicContact CG-CE2 3.99Å; F171-F173 AromaticContact CG-CZ 3.5Å; F171-F173 HydrophobicContact CG-CZ 3.5Å; F171-F173 VanDerWaalsContact CG-CZ 3.5Å; F173-M182 HydrophobicContact CD2-CE 4.15Å; F173-M182 HydrophobicContact CD2-SD 4.01Å; F173-M182 HydrophobicContact CE2-CE 3.92Å; F173-M182 HydrophobicContact CE2-SD 4.32Å; F173-V185 HydrophobicContact CE2-CG1 4.39Å
174	A	81.9	Confident	85.6	Confident	10 Å²	10	79.6 Å²	79.6	8%	0.083	41%	0.405	C	S	.	.	S	Bend	trans	-151.1	151.5	-175.4	0	0	0	0	0	111.7	V143 H172 N176 Q177	V143-A174 HydrophobicContact CG1-CB 3.85Å; H172-A174 PolarHBondContact CE1-O 3.21Å; A174-N176 VanDerWaalsContact C-N 3.29Å; A174-N176 PolarHBondContact O-N 3.02Å; A174-Q177 WeakPolarHBondContact O-CB 3.43Å; A174-Q177 PolarHBondContact O-N 2.85Å
175	P	80.2	Confident	85.8	Confident	73 Å²	73	70.9 Å²	70.9	47%	0.474	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.3	-176.1	23.2	-34.2	0	0	0	113.3	I131 A132	I131-P175 WeakPolarHBondContact O-CD 3.42Å; A132-P175 WeakPolarHBondContact O-CD 3.43Å
176	N	81	Confident	86.4	Confident	137 Å²	137	62.3 Å²	62.3	73%	0.733	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	47.4	177.8	-64.5	-27.3	0	0	0	111.2	A174 T178	A174-N176 VanDerWaalsContact C-N 3.29Å; A174-N176 PolarHBondContact O-N 3.02Å; N176-T178 PolarHBondContact O-N 3.46Å
177	Q	84.7	Confident	86.7	Confident	53 Å²	53	64.3 Å²	64.3	25%	0.248	33%	0.334	C	S	.	.			trans	-63.6	118.6	-180	-175.5	169.1	-65.4	0	0	111	F171 A174 M182	F171-Q177 PolarHBondContact O-NE2 3.08Å; A174-Q177 WeakPolarHBondContact O-CB 3.43Å; A174-Q177 PolarHBondContact O-N 2.85Å; Q177-M182 HydrophobicContact CG-CG 3.83Å; Q177-M182 HydrophobicContact CG-SD 3.54Å; Q177-M182 VanDerWaalsContact CG-SD 3.54Å; Q177-M182 PolarHBondContact NE2-SD 3.03Å
178	T	87.8	Confident	86.3	Confident	59 Å²	59	64.3 Å²	64.3	36%	0.362	34%	0.337	S	S	.	.			trans	-104.5	157.1	178.4	67.6	0	0	0	0	111.3	N176 A180 I181 M182	N176-T178 PolarHBondContact O-N 3.46Å; T178-A180 PolarHBondContact O-N 3.15Å; T178-A180 VanDerWaalsContact O-N 3.13Å; T178-I181 WeakPolarHBondContact O-CB 3.48Å; T178-I181 PolarHBondContact O-N 3.4Å; T178-I181 VanDerWaalsContact O-N 3.1Å; T178-I181 WeakPolarHBondContact OG1-CG1 3.42Å; T178-I181 PolarHBondContact OG1-N 2.92Å; T178-M182 PolarHBondContact O-N 3.34Å
179	P	86.8	Confident	86.1	Confident	104 Å²	104	63.9 Å²	63.9	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-56.8	-27.6	173.1	-26.4	35	0	0	0	113.7	R183	P179-R183 PolarHBondContact O-N 3.22Å
180	A	87.4	Confident	86.2	Confident	39 Å²	39	63 Å²	63	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-69	-41.5	176.6	0	0	0	0	0	112.7	T178 R183 K184	T178-A180 PolarHBondContact O-N 3.15Å; T178-A180 VanDerWaalsContact O-N 3.13Å; A180-R183 PolarHBondContact O-N 2.87Å; A180-K184 PolarHBondContact O-N 3.06Å
181	I	86.1	Confident	86	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.062	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-48.6	173.7	-70	170	0	0	0	109.4	E140 I144 T178 R183 K184 V185	E140-I181 HydrophobicContact CG-CD1 3.98Å; E140-I181 HydrophobicContact CG-CG1 3.84Å; I144-I181 HydrophobicContact CG1-CG2 3.94Å; T178-I181 WeakPolarHBondContact O-CB 3.48Å; T178-I181 PolarHBondContact O-N 3.4Å; T178-I181 VanDerWaalsContact O-N 3.1Å; T178-I181 WeakPolarHBondContact OG1-CG1 3.42Å; T178-I181 PolarHBondContact OG1-N 2.92Å; I181-R183 VanDerWaalsContact C-N 3.31Å; I181-R183 PolarHBondContact O-N 3.48Å; I181-K184 PolarHBondContact O-N 3.35Å; I181-K184 VanDerWaalsContact O-N 3.13Å; I181-V185 HydrophobicContact CG2-CG2 4.34Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 2.94Å
182	M	90.3	Very high	85.2	Confident	27 Å²	27	63.3 Å²	63.3	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-35.8	-177.5	-61.7	-52.8	-74	0	0	113.2	L168 F173 Q177 T178 V185 A186	L168-M182 HydrophobicContact CB-CE 3.34Å; L168-M182 HydrophobicContact CD1-CE 4.04Å; L168-M182 HydrophobicContact CG-CE 4.3Å; L168-M182 WeakPolarHBondContact O-CE 3.48Å; F173-M182 HydrophobicContact CD2-CE 4.15Å; F173-M182 HydrophobicContact CD2-SD 4.01Å; F173-M182 HydrophobicContact CE2-CE 3.92Å; F173-M182 HydrophobicContact CE2-SD 4.32Å; Q177-M182 HydrophobicContact CG-CG 3.83Å; Q177-M182 HydrophobicContact CG-SD 3.54Å; Q177-M182 VanDerWaalsContact CG-SD 3.54Å; Q177-M182 PolarHBondContact NE2-SD 3.03Å; T178-M182 PolarHBondContact O-N 3.34Å; M182-V185 PolarHBondContact O-N 2.87Å; M182-A186 WeakPolarHBondContact O-CB 3.47Å; M182-A186 PolarHBondContact O-N 2.7Å
183	R	89.3	Confident	83.9	Confident	157 Å²	157	68.3 Å²	68.3	59%	0.592	33%	0.332	S	S	*	.	H	α-helix	trans	-62.5	-44	174.6	-159.9	-172.8	-48.7	102.4	2.9	112	P179 A180 I181 A186 E187	P179-R183 PolarHBondContact O-N 3.22Å; A180-R183 PolarHBondContact O-N 2.87Å; I181-R183 VanDerWaalsContact C-N 3.31Å; I181-R183 PolarHBondContact O-N 3.48Å; R183-A186 PolarHBondContact O-N 2.85Å; R183-E187 WeakPolarHBondContact O-CB 3.4Å; R183-E187 PolarHBondContact O-N 3.08Å
184	K	89.8	Confident	82.3	Confident	91 Å²	91	74.7 Å²	74.7	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-37.9	176.8	-67.2	176.8	-176.9	172.7	0	111.7	E140 I144 A180 I181 E187 L188	E140-K184 IonicContact OE1-NZ 2.97Å; E140-K184 PolarHBondContact OE1-NZ 2.67Å; I144-K184 HydrophobicContact CD1-CB 4.18Å; I144-K184 HydrophobicContact CD1-CD 3.45Å; I144-K184 VanDerWaalsContact CD1-CD 3.45Å; I144-K184 HydrophobicContact CD1-CG 4.48Å; I144-K184 HydrophobicContact CG1-CB 4.36Å; I144-K184 HydrophobicContact CG1-CD 4.45Å; I144-K184 HydrophobicContact CG2-CB 3.79Å; A180-K184 PolarHBondContact O-N 3.06Å; I181-K184 PolarHBondContact O-N 3.35Å; I181-K184 VanDerWaalsContact O-N 3.13Å; K184-E187 PolarHBondContact O-N 3.01Å; K184-L188 PolarHBondContact O-N 3.29Å
185	V	88.2	Confident	80.7	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-47.5	174.3	173	0	0	0	0	110.9	I144 A147 V151 L168 F173 I181 M182 E187 L188 H189	I144-V185 HydrophobicContact CB-CG2 4.42Å; I144-V185 HydrophobicContact CG2-CG2 4.2Å; A147-V185 HydrophobicContact CB-CG1 4.05Å; A147-V185 HydrophobicContact CB-CG2 3.67Å; V151-V185 HydrophobicContact CG2-CG1 4.02Å; L168-V185 HydrophobicContact CD1-CB 4.33Å; L168-V185 HydrophobicContact CD1-CG1 3.94Å; F173-V185 HydrophobicContact CE2-CG1 4.39Å; I181-V185 HydrophobicContact CG2-CG2 4.34Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 2.94Å; M182-V185 PolarHBondContact O-N 2.87Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 2.98Å; V185-L188 PolarHBondContact O-N 2.93Å; V185-H189 WeakPolarHBondContact O-CB 3.45Å; V185-H189 PolarHBondContact O-N 2.87Å
186	A	89.3	Confident	78.9	Confident	10 Å²	10	79.7 Å²	79.7	8%	0.083	38%	0.383	C	S	.	.	H	α-helix	trans	-63.2	-37.1	177.1	0	0	0	0	0	112.5	Y167 L168 M182 R183 H189 R190	Y167-A186 HydrophobicContact CE1-CB 4.26Å; L168-A186 HydrophobicContact CD1-CB 3.86Å; M182-A186 WeakPolarHBondContact O-CB 3.47Å; M182-A186 PolarHBondContact O-N 2.7Å; R183-A186 PolarHBondContact O-N 2.85Å; A186-H189 PolarHBondContact O-N 3.14Å; A186-R190 WeakPolarHBondContact O-CG 3.47Å; A186-R190 PolarHBondContact O-N 2.87Å
187	E	87.9	Confident	77.1	Confident	98 Å²	98	76.9 Å²	76.9	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-47.2	174.9	-175.9	-179.1	174.5	0	0	111.9	R183 K184 V185 R190 Q191	R183-E187 WeakPolarHBondContact O-CB 3.4Å; R183-E187 PolarHBondContact O-N 3.08Å; K184-E187 PolarHBondContact O-N 3.01Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-E187 PolarHBondContact O-N 2.98Å; E187-R190 PolarHBondContact O-N 3.15Å; E187-Q191 WeakPolarHBondContact O-CG 3.33Å; E187-Q191 PolarHBondContact O-N 3.2Å
188	L	80.4	Confident	74.8	Confident	45 Å²	45	76 Å²	76	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-65.6	-39.5	176.4	-71.2	-178.2	0	0	0	112.3	I144 V145 K184 V185 R190 Q191 H192	I144-L188 HydrophobicContact CG2-CD1 3.68Å; V145-L188 HydrophobicContact CG2-CD1 4.17Å; K184-L188 PolarHBondContact O-N 3.29Å; V185-L188 PolarHBondContact O-N 2.93Å; L188-R190 VanDerWaalsContact C-N 3.27Å; L188-R190 PolarHBondContact O-N 3.21Å; L188-Q191 WeakPolarHBondContact O-CB 3.3Å; L188-Q191 PolarHBondContact O-N 3.49Å; L188-H192 PolarHBondContact O-CD2 2.6Å; L188-H192 PolarHBondContact O-N 3.17Å
189	H	86.6	Confident	72.4	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-39.1	175.9	-179	-147.9	0	0	0	112.2	V151 Q152 G156 H163 Y167 V185 A186 Q191 H192	V151-H189 HydrophobicContact CG1-CB 4.33Å; V151-H189 VanDerWaalsContact CG1-CE1 3.47Å; V151-H189 WeakPolarHBondContact CG1-CE1 3.47Å; V151-H189 VanDerWaalsContact CG1-ND1 3.32Å; V151-H189 WeakPolarHBondContact CG1-ND1 3.36Å; Q152-H189 PolarHBondContact OE1-CD2 3.33Å; Q152-H189 PolarHBondContact OE1-NE2 3.13Å; G156-H189 PolarHBondContact O-NE2 3.26Å; H163-H189 AromaticContact CE1-CE1 3.9Å; H163-H189 AromaticContact ND1-CE1 3.78Å; Y167-H189 AromaticContact CE2-ND1 3.63Å; Y167-H189 AromaticContact CZ-ND1 3.59Å; Y167-H189 PolarHBondContact OH-ND1 3.38Å; V185-H189 WeakPolarHBondContact O-CB 3.45Å; V185-H189 PolarHBondContact O-N 2.87Å; A186-H189 PolarHBondContact O-N 3.14Å; H189-Q191 PolarHBondContact O-N 3.15Å; H189-H192 PolarHBondContact O-N 3.19Å
190	R	86.2	Confident	70.1	Confident	139 Å²	139	74 Å²	74	53%	0.525	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-23.2	174.4	-72.2	-176	-136.5	131.2	-0.3	114.4	H158 A186 E187 L188	H158-R190 HydrophobicContact CB-CG 4.28Å; H158-R190 VanDerWaalsContact CD2-CG 3.43Å; H158-R190 WeakPolarHBondContact CD2-CG 3.42Å; H158-R190 WeakPolarHBondContact NE2-CG 3.16Å; A186-R190 WeakPolarHBondContact O-CG 3.47Å; A186-R190 PolarHBondContact O-N 2.87Å; E187-R190 PolarHBondContact O-N 3.15Å; L188-R190 VanDerWaalsContact C-N 3.27Å; L188-R190 PolarHBondContact O-N 3.21Å
191	Q	80.2	Confident	68	Low	119 Å²	119	73.1 Å²	73.1	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-90.3	-22.7	-177.2	-66.8	176.2	7.5	0	0	112.4	E187 L188 H189 R193	E187-Q191 WeakPolarHBondContact O-CG 3.33Å; E187-Q191 PolarHBondContact O-N 3.2Å; L188-Q191 WeakPolarHBondContact O-CB 3.3Å; L188-Q191 PolarHBondContact O-N 3.49Å; H189-Q191 PolarHBondContact O-N 3.15Å; Q191-R193 PolarHBondContact O-N 3.35Å
192	H	72.8	Confident	65.8	Low	36 Å²	36	75.4 Å²	75.4	17%	0.167	36%	0.356	C	S	.	.			trans	-65.8	126.7	172.9	-62.5	-38	0	0	0	109.1	S148 Y149 Q152 L188 H189	S148-H192 PolarHBondContact OG-NE2 2.8Å; Y149-H192 AromaticContact CD1-CE1 3.85Å; Y149-H192 AromaticContact CD1-NE2 3.74Å; Y149-H192 AromaticContact CE1-CE1 3.28Å; Y149-H192 WeakPolarHBondContact CE1-CE1 3.15Å; Y149-H192 AromaticContact CE1-ND1 3.77Å; Y149-H192 AromaticContact CE1-NE2 3.67Å; Y149-H192 AromaticContact CZ-CE1 3.79Å; Q152-H192 HydrophobicContact CG-CB 4.08Å; Q152-H192 VanDerWaalsContact OE1-CB 3.31Å; L188-H192 PolarHBondContact O-CD2 2.6Å; L188-H192 PolarHBondContact O-N 3.17Å; H189-H192 PolarHBondContact O-N 3.19Å
193	R	59.4	Low	63.1	Low	216 Å²	216	76.4 Å²	76.4	82%	0.815	36%	0.359	S	S	*	.			trans	-130.1	22.5	-179.4	-71.4	-171.6	179.1	157	0.3	113.1	Q191	Q191-R193 PolarHBondContact O-N 3.35Å
194	L	51.9	Low	60.6	Low	143 Å²	143	71.8 Å²	71.8	75%	0.749	35%	0.348	S	S	*	.	S	Bend	trans	-135.2	145	-173.5	-68.1	171.3	0	0	0	109.9	Q152 P196	Q152-L194 PolarHBondContact NE2-O 2.71Å; Q152-L194 VanDerWaalsContact NE2-O 3.15Å; L194-P196 WeakPolarHBondContact O-CD 3.34Å
195	E	48	Very low	57.9	Low	161 Å²	161	70 Å²	70	75%	0.752	35%	0.345	S	S	*	.			trans	-47.3	125.2	166.3	-89	-178.7	153.9	0	0	109	T197	E195-T197 PolarHBondContact O-N 3.3Å
196	P	43.9	Very low	55.5	Low	28 Å²	28	72.6 Å²	72.6	18%	0.182	36%	0.357	C	S	.	.			trans	-71.9	73.7	166.1	29.9	-30.8	0	0	0	107.6	Q152 L194 L198 R333	Q152-P196 HydrophobicContact CG-CB 4.36Å; Q152-P196 HydrophobicContact CG-CG 4.19Å; L194-P196 WeakPolarHBondContact O-CD 3.34Å; P196-L198 PolarHBondContact O-N 3.45Å; P196-R333 PolarHBondContact O-NH2 3.01Å
197	T	41.9	Very low	52.8	Low	78 Å²	78	74.2 Å²	74.2	48%	0.479	36%	0.364	S	S	.	.			trans	-49.6	130.3	150.7	38.8	0	0	0	0	105.2	E195 S199 T200	E195-T197 PolarHBondContact O-N 3.3Å; T197-S199 PolarHBondContact O-N 2.9Å; T197-S199 PolarHBondContact O-OG 3.05Å; T197-S199 PolarHBondContact OG1-OG 3.23Å; T197-T200 PolarHBondContact O-N 3.42Å; T197-T200 PolarHBondContact O-OG1 3.09Å
198	L	36.8	Very low	50.1	Low	34 Å²	34	72.6 Å²	72.6	18%	0.178	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-46.2	-14.2	-171	-70	142.4	0	0	0	115.3	E117 R120 P196 T200	E117-L198 HydrophobicContact CB-CD1 3.72Å; E117-L198 HydrophobicContact CG-CD1 3.35Å; E117-L198 HydrophobicContact CG-CD2 4.06Å; E117-L198 HydrophobicContact CG-CG 4.25Å; E117-L198 WeakPolarHBondContact OE1-CD1 3.24Å; R120-L198 HydrophobicContact CB-CD2 4.19Å; R120-L198 VanDerWaalsContact NE-CD1 3.32Å; P196-L198 PolarHBondContact O-N 3.45Å; L198-T200 PolarHBondContact O-N 3.29Å
199	S	38.3	Very low	47.8	Very low	80 Å²	80	72.9 Å²	72.9	56%	0.559	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-55.8	-23.4	170.7	37.8	0	0	0	0	115.4	T197	T197-S199 PolarHBondContact O-N 2.9Å; T197-S199 PolarHBondContact O-OG 3.05Å; T197-S199 PolarHBondContact OG1-OG 3.23Å
200	T	38.4	Very low	45.1	Very low	42 Å²	42	83.2 Å²	83.2	26%	0.258	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-91.1	-18.8	-169.6	-28.7	0	0	0	0	115	Y149 T197 L198 F202	Y149-T200 HydrophobicContact CD1-CG2 3.7Å; Y149-T200 HydrophobicContact CE1-CG2 3.28Å; Y149-T200 HydrophobicContact CE2-CG2 4.44Å; Y149-T200 HydrophobicContact CG-CG2 4.46Å; T197-T200 PolarHBondContact O-N 3.42Å; T197-T200 PolarHBondContact O-OG1 3.09Å; L198-T200 PolarHBondContact O-N 3.29Å; T200-F202 PolarHBondContact O-N 2.67Å
201	I	42.2	Very low	42.6	Very low	19 Å²	19	77.5 Å²	77.5	10%	0.097	39%	0.386	C	S	.	.	S	Bend	trans	-86.7	105.9	163.6	-59.1	162.3	0	0	0	104.8	Y124 S153	Y124-I201 HydrophobicContact CD2-CD1 3.87Å; Y124-I201 HydrophobicContact CD2-CG2 3.8Å; Y124-I201 HydrophobicContact CE2-CD1 4.16Å; Y124-I201 HydrophobicContact CG-CD1 4.09Å; S153-I201 VanDerWaalsContact OG-CD1 3.24Å; S153-I201 WeakPolarHBondContact OG-CD1 3.48Å
202	F	39.6	Very low	40.3	Very low	61 Å²	61	81 Å²	81	27%	0.268	40%	0.399	S	S	.	.			trans	-178.2	104.4	143.9	-117.9	-94.4	0	0	0	112.4	P111 F123 L127 T200	P111-F202 HydrophobicContact CG-CB 4.21Å; P111-F202 HydrophobicContact CG-CD1 3.81Å; P111-F202 HydrophobicContact CG-CE1 4.39Å; P111-F202 HydrophobicContact CG-CG 3.98Å; F123-F202 HydrophobicContact CB-CE2 4.19Å; F123-F202 HydrophobicContact CB-CZ 3.99Å; F123-F202 HydrophobicContact CD1-CZ 4.07Å; L127-F202 HydrophobicContact CD1-CE1 3.83Å; L127-F202 HydrophobicContact CD1-CE2 4.19Å; L127-F202 HydrophobicContact CD1-CZ 3.57Å; T200-F202 PolarHBondContact O-N 2.67Å
203	W	35.2	Very low	38.8	Very low	48 Å²	48	82.1 Å²	82.1	18%	0.182	42%	0.415	C	S	.	.			trans	-139.4	138.7	155.2	-84.2	111.4	0	0	0	111.6	L146 Q588 P590 Y621	L146-W203 HydrophobicContact CD2-CB 4.37Å; W203-Q588 VanDerWaalsContact CD1-OE1 3.23Å; W203-Q588 WeakPolarHBondContact CH2-O 3.37Å; W203-Q588 HydrophobicContact CZ2-CB 3.65Å; W203-Q588 WeakPolarHBondContact CZ2-O 3.49Å; W203-P590 HydrophobicContact CH2-CG 4.04Å; W203-P590 HydrophobicContact CZ3-CB 4.4Å; W203-P590 HydrophobicContact CZ3-CG 3.7Å; W203-Y621 HydrophobicContact CH2-CE1 4.05Å; W203-Y621 HydrophobicContact CH2-CE2 4.1Å; W203-Y621 AromaticContact CH2-CZ 3.52Å; W203-Y621 WeakPolarHBondContact CH2-OH 3.15Å; W203-Y621 WeakPolarHBondContact CZ3-OH 3.34Å
204	T	34.8	Very low	38.4	Very low	60 Å²	60	74.7 Å²	74.7	37%	0.368	39%	0.391	S	S	.	.			trans	71.2	130.8	148.9	25.6	0	0	0	0	123.9
205	T	34.5	Very low	39.2	Very low	54 Å²	54	69.4 Å²	69.4	33%	0.331	36%	0.362	S	S	.	.			trans	76.2	109.4	147.8	52.9	0	0	0	0	117.2	L136	L136-T205 VanDerWaalsContact CD1-O 3.24Å; L136-T205 WeakPolarHBondContact CD1-O 3.45Å; L136-T205 VanDerWaalsContact CD1-OG1 3.31Å; L136-T205 WeakPolarHBondContact CD1-OG1 3.49Å; L136-T205 WeakPolarHBondContact CD2-O 3.43Å; L136-T205 WeakPolarHBondContact CG-OG1 3.13Å
206	Q	37.7	Very low	40.8	Very low	54 Å²	54	61.8 Å²	61.8	25%	0.252	33%	0.327	S	S	.	.				87.7	115.2	80.1	-89.1	-171.6	9.1	0	0	116.8	L208 F226	Q206-L208 HydrophobicContact CB-CG 4.35Å; Q206-L208 PolarHBondContact O-N 3.15Å; Q206-L208 VanDerWaalsContact O-N 3.09Å; Q206-F226 VanDerWaalsContact NE2-CZ 3.26Å
207	N	32.2	Very low	42.6	Very low	44 Å²	44	60.6 Å²	60.6	24%	0.235	32%	0.32	C	S	.	.			trans	-64.4	90	155.1	-79.1	-35.1	0	0	0	110.5	Y107 G217 V218 H283	Y107-N207 WeakPolarHBondContact CD2-ND2 3.4Å; Y107-N207 VanDerWaalsContact CE2-OD1 3.24Å; Y107-N207 WeakPolarHBondContact CE2-OD1 3.34Å; N207-G217 VanDerWaalsContact O-CA 3.25Å; N207-G217 WeakPolarHBondContact O-CA 3.45Å; N207-V218 WeakPolarHBondContact CB-O 3.36Å; N207-V218 PolarHBondContact O-N 3.43Å; N207-H283 PolarHBondContact ND2-NE2 3.2Å
208	L	30.7	Very low	44.7	Very low	63 Å²	63	57.2 Å²	57.2	33%	0.33	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.7	170.5	-75	165.3	0	0	0	110.3	Q206 F215 F226	Q206-L208 HydrophobicContact CB-CG 4.35Å; Q206-L208 PolarHBondContact O-N 3.15Å; Q206-L208 VanDerWaalsContact O-N 3.09Å; L208-F215 HydrophobicContact CD2-CB 4.18Å; L208-F226 HydrophobicContact CD2-CD1 4.02Å; L208-F226 HydrophobicContact CD2-CD2 3.42Å; L208-F226 VanDerWaalsContact CD2-CD2 3.42Å; L208-F226 HydrophobicContact CD2-CE1 4.06Å; L208-F226 HydrophobicContact CD2-CE2 3.5Å; L208-F226 HydrophobicContact CD2-CG 3.76Å; L208-F226 HydrophobicContact CD2-CZ 3.86Å
209	A	33.6	Very low	46.9	Very low	51 Å²	51	56.3 Å²	56.3	42%	0.421	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.3	163.3	0	0	0	0	0	109.7	F215 I216	A209-F215 WeakPolarHBondContact O-CB 3.03Å; A209-I216 WeakPolarHBondContact CB-O 3.46Å; A209-I216 PolarHBondContact N-O 3.15Å; A209-I216 PolarHBondContact O-N 3.45Å
210	R	28.1	Very low	48.9	Very low	218 Å²	218	53.2 Å²	53.2	82%	0.823	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-70.4	138.2	178.9	-56.9	-165.4	60.6	154.8	-11	113.7	F215	R210-F215 HydrophobicContact CB-CD1 3.94Å; R210-F215 HydrophobicContact CB-CE1 3.6Å; R210-F215 HydrophobicContact CG-CD1 3.95Å; R210-F215 HydrophobicContact CG-CE1 3.49Å; R210-F215 VanDerWaalsContact CG-CE1 3.49Å
211	L	33.5	Very low	50.9	Low	18 Å²	18	53.3 Å²	53.3	9%	0.094	27%	0.272	C	S	.	.			trans	-149.2	118.1	172.9	-86.3	163.3	0	0	0	106.8	A213 L214 I216 L267	L211-A213 PolarHBondContact O-N 3.05Å; L211-L214 WeakPolarHBondContact CB-O 3.49Å; L211-L214 WeakPolarHBondContact CD1-O 3.38Å; L211-L214 CarbonylContact O-C 3.48Å; L211-L214 PolarHBondContact O-N 3.04Å; L211-I216 HydrophobicContact CD1-CB 4.31Å; L211-I216 HydrophobicContact CD1-CD1 3.9Å; L211-I216 HydrophobicContact CD1-CG1 3.8Å; L211-L267 HydrophobicContact CD1-CD2 3.62Å; L211-L267 HydrophobicContact CD2-CB 4.07Å; L211-L267 HydrophobicContact CD2-CD2 3.9Å; L211-L267 HydrophobicContact CD2-CG 4.49Å; L211-L267 HydrophobicContact CG-CD2 4.41Å
212	F	33.8	Very low	53.1	Low	192 Å²	192	52.4 Å²	52.4	84%	0.842	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	16.1	-80.5	176.3	-63.4	-80.7	0	0	0	116.4
213	A	39.9	Very low	55.5	Low	61 Å²	61	49.5 Å²	49.5	50%	0.504	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-0.6	178	0	0	0	0	0	114.6	L211 R228	L211-A213 PolarHBondContact O-N 3.05Å; A213-R228 PolarHBondContact O-N 3.45Å
214	L	52.4	Low	57.8	Low	60 Å²	60	47.5 Å²	47.5	31%	0.314	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	103.3	-175	-176.5	86.5	0	0	0	111.1	L211 I225 F226 Q227 F265	L211-L214 WeakPolarHBondContact CB-O 3.49Å; L211-L214 WeakPolarHBondContact CD1-O 3.38Å; L211-L214 CarbonylContact O-C 3.48Å; L211-L214 PolarHBondContact O-N 3.04Å; L214-I225 HydrophobicContact CD1-CG2 3.58Å; L214-I225 HydrophobicContact CD2-CG2 4.23Å; L214-I225 HydrophobicContact CG-CG2 3.99Å; L214-F226 CarbonylContact C-O 3.54Å; L214-F226 VanDerWaalsContact C-O 3.25Å; L214-F226 WeakPolarHBondContact CA-O 3.33Å; L214-F226 WeakPolarHBondContact CD1-O 3.4Å; L214-Q227 HydrophobicContact CD1-CB 4.11Å; L214-F265 HydrophobicContact CD2-CD1 4.08Å; L214-F265 HydrophobicContact CD2-CE1 4.42Å
215	F	68	Low	60.2	Low	32 Å²	32	44.9 Å²	44.9	14%	0.14	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.1	-178.2	-50.4	-110.4	0	0	0	110.8	L208 A209 R210 I225 F226	L208-F215 HydrophobicContact CD2-CB 4.18Å; A209-F215 WeakPolarHBondContact O-CB 3.03Å; R210-F215 HydrophobicContact CB-CD1 3.94Å; R210-F215 HydrophobicContact CB-CE1 3.6Å; R210-F215 HydrophobicContact CG-CD1 3.95Å; R210-F215 HydrophobicContact CG-CE1 3.49Å; R210-F215 VanDerWaalsContact CG-CE1 3.49Å; F215-I225 CarbonylContact O-C 3.57Å; F215-I225 WeakPolarHBondContact O-CA 3.39Å; F215-F226 HydrophobicContact CB-CB 4.01Å; F215-F226 HydrophobicContact CB-CD2 4.2Å; F215-F226 HydrophobicContact CB-CG 4.44Å; F215-F226 HydrophobicContact CD2-CB 4.4Å; F215-F226 PolarHBondContact N-O 3.46Å; F215-F226 PolarHBondContact O-N 2.81Å
216	I	81.8	Confident	62.1	Low	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.9	170.3	-58.5	177.1	0	0	0	107	A209 L211 V223 G224 I225 F265 L267 L276	A209-I216 WeakPolarHBondContact CB-O 3.46Å; A209-I216 PolarHBondContact N-O 3.15Å; A209-I216 PolarHBondContact O-N 3.45Å; L211-I216 HydrophobicContact CD1-CB 4.31Å; L211-I216 HydrophobicContact CD1-CD1 3.9Å; L211-I216 HydrophobicContact CD1-CG1 3.8Å; I216-V223 HydrophobicContact CG2-CG1 3.38Å; I216-G224 CarbonylContact C-O 3.56Å; I216-G224 WeakPolarHBondContact CA-O 3.48Å; I216-I225 HydrophobicContact CB-CD1 4.46Å; I216-I225 HydrophobicContact CD1-CD1 4.43Å; I216-I225 HydrophobicContact CG1-CD1 3.88Å; I216-I225 HydrophobicContact CG2-CD1 4.13Å; I216-F265 HydrophobicContact CD1-CB 4Å; I216-F265 HydrophobicContact CD1-CD1 4.19Å; I216-F265 HydrophobicContact CD1-CD2 4.39Å; I216-F265 HydrophobicContact CD1-CG 3.93Å; I216-L267 HydrophobicContact CD1-CD2 3.98Å; I216-L276 HydrophobicContact CB-CD1 4.36Å; I216-L276 HydrophobicContact CB-CD2 4.21Å; I216-L276 HydrophobicContact CD1-CD2 3.72Å; I216-L276 HydrophobicContact CG2-CD1 3.89Å; I216-L276 HydrophobicContact CG2-CD2 4.03Å
217	G	80.7	Confident	63.8	Low	3 Å²	3	45 Å²	45	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.5	177.9	0	0	0	0	0	111.2	N207 V223 G224	N207-G217 VanDerWaalsContact O-CA 3.25Å; N207-G217 WeakPolarHBondContact O-CA 3.45Å; G217-V223 CarbonylContact O-C 3.56Å; G217-V223 WeakPolarHBondContact O-CA 3.49Å; G217-G224 PolarHBondContact N-O 3.14Å; G217-G224 PolarHBondContact O-N 2.88Å
218	V	86.8	Confident	65.6	Low	6 Å²	6	53 Å²	53	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.5	177	-172.9	0	0	0	0	108	N207 W237 L276 H283	N207-V218 WeakPolarHBondContact CB-O 3.36Å; N207-V218 PolarHBondContact O-N 3.43Å; V218-W237 HydrophobicContact CG1-CH2 3.87Å; V218-W237 HydrophobicContact CG1-CZ2 3.71Å; V218-L276 HydrophobicContact CG2-CD1 3.79Å; V218-H283 HydrophobicContact CG1-CB 3.56Å
219	A	81.8	Confident	67.3	Low	15 Å²	15	52.6 Å²	52.6	12%	0.124	26%	0.262	C	S	.	.			trans	-122.1	175.4	-174.2	0	0	0	0	0	111.7	F221 G222 W237	A219-F221 VanDerWaalsContact C-N 3.32Å; A219-F221 HydrophobicContact CB-CD1 4.2Å; A219-F221 HydrophobicContact CB-CE1 3.84Å; A219-F221 HydrophobicContact CB-CZ 4.08Å; A219-F221 PolarHBondContact O-N 2.94Å; A219-G222 PolarHBondContact N-O 2.82Å; A219-G222 PolarHBondContact O-N 3.46Å; A219-W237 WeakPolarHBondContact O-CZ2 3.24Å; A219-W237 PolarHBondContact O-NE1 2.8Å
220	S	82.1	Confident	68.9	Low	16 Å²	16	51.3 Å²	51.3	11%	0.112	25%	0.248	C	C	.	.	S	Bend	trans	-61.7	-35.4	178.7	45.5	0	0	0	0	114.1	Y107 S109 W237 F287	Y107-S220 VanDerWaalsContact O-CB 3.31Å; Y107-S220 WeakPolarHBondContact O-CB 3.4Å; Y107-S220 PolarHBondContact O-OG 3.04Å; S109-S220 WeakPolarHBondContact CB-OG 3.33Å; S109-S220 PolarHBondContact N-OG 2.88Å; S220-W237 PolarHBondContact O-NE1 3.44Å; S220-W237 VanDerWaalsContact O-NE1 3.12Å; S220-F287 VanDerWaalsContact CA-CD2 3.49Å; S220-F287 WeakPolarHBondContact O-CB 3.5Å
221	F	79.5	Confident	71.1	Confident	44 Å²	44	42 Å²	42	19%	0.193	21%	0.214	C	C	.	.	S	Bend	trans	-94	-18.2	-178.8	55.5	-89.9	0	0	0	114.1	A219 T234 L236 W237 D611	A219-F221 VanDerWaalsContact C-N 3.32Å; A219-F221 HydrophobicContact CB-CD1 4.2Å; A219-F221 HydrophobicContact CB-CE1 3.84Å; A219-F221 HydrophobicContact CB-CZ 4.08Å; A219-F221 PolarHBondContact O-N 2.94Å; F221-T234 HydrophobicContact CD2-CG2 3.86Å; F221-T234 HydrophobicContact CE2-CG2 3.56Å; F221-L236 HydrophobicContact CD2-CD2 4.18Å; F221-L236 WeakPolarHBondContact O-CA 3.43Å; F221-W237 PolarHBondContact O-N 3.12Å; F221-D611 HydrophobicContact CE2-CB 4.2Å; F221-D611 HydrophobicContact CZ-CB 4.46Å
222	G	87.8	Confident	73.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-164.9	-177	0	0	0	0	0	115.7	A219 F235 W237	A219-G222 PolarHBondContact N-O 2.82Å; A219-G222 PolarHBondContact O-N 3.46Å; G222-F235 CarbonylContact C-O 3.53Å; G222-F235 WeakPolarHBondContact CA-O 3.37Å; G222-W237 VanDerWaalsContact CA-CE2 3.46Å; G222-W237 VanDerWaalsContact N-NE1 3.16Å
223	V	89.7	Confident	75.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.2	174.4	-176.8	0	0	0	0	109.8	I216 G217 I225 T234 F235 W237 I240 I252	I216-V223 HydrophobicContact CG2-CG1 3.38Å; G217-V223 CarbonylContact O-C 3.56Å; G217-V223 WeakPolarHBondContact O-CA 3.49Å; V223-I225 HydrophobicContact CG1-CD1 4.43Å; V223-T234 CarbonylContact O-C 3.58Å; V223-T234 WeakPolarHBondContact O-CA 3.43Å; V223-F235 HydrophobicContact CB-CB 4.36Å; V223-F235 HydrophobicContact CB-CD2 4.45Å; V223-F235 PolarHBondContact N-O 2.83Å; V223-F235 PolarHBondContact O-N 3.45Å; V223-W237 HydrophobicContact CG2-CE3 4.49Å; V223-W237 HydrophobicContact CG2-CH2 3.28Å; V223-W237 HydrophobicContact CG2-CZ2 4.14Å; V223-W237 HydrophobicContact CG2-CZ3 3.5Å; V223-W237 VanDerWaalsContact CG2-CZ3 3.5Å; V223-I240 HydrophobicContact CG2-CD1 4.18Å; V223-I252 HydrophobicContact CB-CD1 4.41Å; V223-I252 HydrophobicContact CG1-CD1 4.17Å
224	G	84.1	Confident	77.7	Confident	5 Å²	5	35.3 Å²	35.3	5%	0.052	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142.9	174	0	0	0	0	0	111.9	I216 G217 F226 K233	I216-G224 CarbonylContact C-O 3.56Å; I216-G224 WeakPolarHBondContact CA-O 3.48Å; G217-G224 PolarHBondContact N-O 3.14Å; G217-G224 PolarHBondContact O-N 2.88Å; G224-F226 VanDerWaalsContact C-CE2 3.47Å; G224-F226 WeakPolarHBondContact O-CE2 3.5Å; G224-K233 CarbonylContact C-O 3.51Å; G224-K233 WeakPolarHBondContact CA-O 3.4Å
225	I	86.2	Confident	79.5	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.1	172.5	-50.9	-59.1	0	0	0	107.7	L214 F215 I216 V223 K231 T232 K233 F235 F265	L214-I225 HydrophobicContact CD1-CG2 3.58Å; L214-I225 HydrophobicContact CD2-CG2 4.23Å; L214-I225 HydrophobicContact CG-CG2 3.99Å; F215-I225 CarbonylContact O-C 3.57Å; F215-I225 WeakPolarHBondContact O-CA 3.39Å; I216-I225 HydrophobicContact CB-CD1 4.46Å; I216-I225 HydrophobicContact CD1-CD1 4.43Å; I216-I225 HydrophobicContact CG1-CD1 3.88Å; I216-I225 HydrophobicContact CG2-CD1 4.13Å; V223-I225 HydrophobicContact CG1-CD1 4.43Å; I225-K231 CarbonylContact O-C 3.45Å; I225-K231 WeakPolarHBondContact O-CA 2.97Å; I225-T232 WeakPolarHBondContact CG2-OG1 3.5Å; I225-T232 PolarHBondContact O-N 2.84Å; I225-T232 PolarHBondContact O-OG1 3.09Å; I225-T232 VanDerWaalsContact O-OG1 3.12Å; I225-K233 HydrophobicContact CB-CB 4.37Å; I225-K233 HydrophobicContact CG1-CB 4.42Å; I225-K233 PolarHBondContact N-O 2.83Å; I225-K233 PolarHBondContact O-N 3.39Å; I225-F235 HydrophobicContact CD1-CD2 4.31Å; I225-F235 HydrophobicContact CD1-CE2 3.86Å; I225-F235 HydrophobicContact CG1-CD2 4.11Å; I225-F235 HydrophobicContact CG1-CE2 3.54Å; I225-F265 HydrophobicContact CD1-CE1 3.81Å; I225-F265 HydrophobicContact CD1-CE2 4.29Å; I225-F265 HydrophobicContact CD1-CZ 3.66Å; I225-F265 HydrophobicContact CG1-CE1 4.26Å; I225-F265 HydrophobicContact CG1-CZ 4.09Å; I225-F265 HydrophobicContact CG2-CE1 4.4Å
226	F	74.6	Confident	80.5	Confident	10 Å²	10	32.1 Å²	32.1	4%	0.044	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	-178.1	-49.4	-104.6	0	0	0	109.8	Q206 L208 L214 F215 G224 V230 K231	Q206-F226 VanDerWaalsContact NE2-CZ 3.26Å; L208-F226 HydrophobicContact CD2-CD1 4.02Å; L208-F226 HydrophobicContact CD2-CD2 3.42Å; L208-F226 VanDerWaalsContact CD2-CD2 3.42Å; L208-F226 HydrophobicContact CD2-CE1 4.06Å; L208-F226 HydrophobicContact CD2-CE2 3.5Å; L208-F226 HydrophobicContact CD2-CG 3.76Å; L208-F226 HydrophobicContact CD2-CZ 3.86Å; L214-F226 CarbonylContact C-O 3.54Å; L214-F226 VanDerWaalsContact C-O 3.25Å; L214-F226 WeakPolarHBondContact CA-O 3.33Å; L214-F226 WeakPolarHBondContact CD1-O 3.4Å; F215-F226 HydrophobicContact CB-CB 4.01Å; F215-F226 HydrophobicContact CB-CD2 4.2Å; F215-F226 HydrophobicContact CB-CG 4.44Å; F215-F226 HydrophobicContact CD2-CB 4.4Å; F215-F226 PolarHBondContact N-O 3.46Å; F215-F226 PolarHBondContact O-N 2.81Å; G224-F226 VanDerWaalsContact C-CE2 3.47Å; G224-F226 WeakPolarHBondContact O-CE2 3.5Å; F226-V230 CarbonylContact C-O 3.57Å; F226-V230 WeakPolarHBondContact CA-O 3.43Å; F226-K231 HydrophobicContact CD1-CB 3.63Å; F226-K231 HydrophobicContact CD1-CG 3.99Å; F226-K231 HydrophobicContact CE1-CB 3.51Å; F226-K231 HydrophobicContact CE1-CD 3.72Å; F226-K231 HydrophobicContact CE1-CG 3.55Å; F226-K231 HydrophobicContact CZ-CB 4.34Å; F226-K231 HydrophobicContact CZ-CD 3.83Å; F226-K231 HydrophobicContact CZ-CG 3.86Å
227	Q	73.1	Confident	80.9	Confident	101 Å²	101	32.5 Å²	32.5	47%	0.472	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.6	173.6	-173.5	174	11	0	0	107.5	L214 A229 V230 T232	L214-Q227 HydrophobicContact CD1-CB 4.11Å; Q227-A229 VanDerWaalsContact C-N 3.28Å; Q227-A229 PolarHBondContact O-N 3.46Å; Q227-V230 PolarHBondContact N-O 3.23Å; Q227-V230 WeakPolarHBondContact O-CB 3.13Å; Q227-V230 PolarHBondContact O-N 2.92Å; Q227-T232 HydrophobicContact CB-CG2 3.69Å
228	R	69.5	Low	81.1	Confident	210 Å²	210	36.1 Å²	36.1	79%	0.792	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	47.3	-176.6	-58.2	176.1	-178.6	164.2	-0.6	113.1	A213 V230	A213-R228 PolarHBondContact O-N 3.45Å; R228-V230 PolarHBondContact O-N 2.89Å; R228-V230 VanDerWaalsContact O-N 3.11Å
229	A	66.3	Low	81.1	Confident	56 Å²	56	42.5 Å²	42.5	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	0.3	-175.3	0	0	0	0	0	116.6	Q227	Q227-A229 VanDerWaalsContact C-N 3.28Å; Q227-A229 PolarHBondContact O-N 3.46Å
230	V	68.1	Low	81.4	Confident	23 Å²	23	42.4 Å²	42.4	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.2	176.8	-179.2	0	0	0	0	110.3	F226 Q227 R228 T232 V596 Q604	F226-V230 CarbonylContact C-O 3.57Å; F226-V230 WeakPolarHBondContact CA-O 3.43Å; Q227-V230 PolarHBondContact N-O 3.23Å; Q227-V230 WeakPolarHBondContact O-CB 3.13Å; Q227-V230 PolarHBondContact O-N 2.92Å; R228-V230 PolarHBondContact O-N 2.89Å; R228-V230 VanDerWaalsContact O-N 3.11Å; V230-T232 PolarHBondContact O-N 3.04Å; V230-V596 HydrophobicContact CG1-CG2 4.32Å; V230-V596 HydrophobicContact CG2-CG2 4.15Å; V230-Q604 VanDerWaalsContact CG1-CD 3.41Å; V230-Q604 HydrophobicContact CG1-CG 3.93Å
231	K	72.8	Confident	81.6	Confident	23 Å²	23	46.6 Å²	46.6	10%	0.1	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117.7	179.5	-167.8	170.6	61.3	-169.4	0	110.3	I225 F226 Q604 I607 D611	I225-K231 CarbonylContact O-C 3.45Å; I225-K231 WeakPolarHBondContact O-CA 2.97Å; F226-K231 HydrophobicContact CD1-CB 3.63Å; F226-K231 HydrophobicContact CD1-CG 3.99Å; F226-K231 HydrophobicContact CE1-CB 3.51Å; F226-K231 HydrophobicContact CE1-CD 3.72Å; F226-K231 HydrophobicContact CE1-CG 3.55Å; F226-K231 HydrophobicContact CZ-CB 4.34Å; F226-K231 HydrophobicContact CZ-CD 3.83Å; F226-K231 HydrophobicContact CZ-CG 3.86Å; K231-Q604 VanDerWaalsContact O-CD 3.29Å; K231-Q604 PolarHBondContact O-NE2 3.12Å; K231-Q604 PolarHBondContact O-OE1 2.84Å; K231-I607 HydrophobicContact CD-CG2 4.36Å; K231-I607 HydrophobicContact CG-CG2 4.43Å; K231-D611 WeakPolarHBondContact CE-OD2 2.78Å; K231-D611 IonicContact NZ-OD2 2.58Å; K231-D611 PolarHBondContact NZ-OD2 3.21Å
232	T	79.8	Confident	82.1	Confident	31 Å²	31	50.2 Å²	50.2	19%	0.19	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-35	-177.1	57.1	0	0	0	0	112.9	I225 Q227 V230 R603 I607	I225-T232 WeakPolarHBondContact CG2-OG1 3.5Å; I225-T232 PolarHBondContact O-N 2.84Å; I225-T232 PolarHBondContact O-OG1 3.09Å; I225-T232 VanDerWaalsContact O-OG1 3.12Å; Q227-T232 HydrophobicContact CB-CG2 3.69Å; V230-T232 PolarHBondContact O-N 3.04Å; T232-R603 PolarHBondContact O-NH1 2.89Å; T232-R603 PolarHBondContact O-NH2 3.26Å; T232-I607 WeakPolarHBondContact O-CD1 3.03Å
233	K	82.1	Confident	82.3	Confident	86 Å²	86	51 Å²	51	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	149.7	-174.1	-168.3	170.1	-176	178	0	111.8	G224 I225 F235	G224-K233 CarbonylContact C-O 3.51Å; G224-K233 WeakPolarHBondContact CA-O 3.4Å; I225-K233 HydrophobicContact CB-CB 4.37Å; I225-K233 HydrophobicContact CG1-CB 4.42Å; I225-K233 PolarHBondContact N-O 2.83Å; I225-K233 PolarHBondContact O-N 3.39Å; K233-F235 HydrophobicContact CD-CE1 3.8Å; K233-F235 HydrophobicContact CD-CE2 4.39Å; K233-F235 HydrophobicContact CD-CZ 3.66Å; K233-F235 HydrophobicContact CG-CE1 4.35Å; K233-F235 HydrophobicContact CG-CZ 4.27Å
234	T	85.2	Confident	82.5	Confident	14 Å²	14	52.9 Å²	52.9	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.2	171.5	-56.8	0	0	0	0	110.4	F221 V223 L236 D611	F221-T234 HydrophobicContact CD2-CG2 3.86Å; F221-T234 HydrophobicContact CE2-CG2 3.56Å; V223-T234 CarbonylContact O-C 3.58Å; V223-T234 WeakPolarHBondContact O-CA 3.43Å; T234-L236 HydrophobicContact CG2-CD2 3.91Å; T234-D611 WeakPolarHBondContact CB-OD1 3.24Å; T234-D611 WeakPolarHBondContact CG2-OD1 3.41Å; T234-D611 VanDerWaalsContact OG1-CG 3.31Å; T234-D611 PolarHBondContact OG1-OD1 2.97Å; T234-D611 PolarHBondContact OG1-OD2 3.1Å
235	F	89	Confident	82.9	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	104	170.9	-57.5	-72.4	0	0	0	109.9	G222 V223 I225 K233 I240 I252 L254 Q263 F265	G222-F235 CarbonylContact C-O 3.53Å; G222-F235 WeakPolarHBondContact CA-O 3.37Å; V223-F235 HydrophobicContact CB-CB 4.36Å; V223-F235 HydrophobicContact CB-CD2 4.45Å; V223-F235 PolarHBondContact N-O 2.83Å; V223-F235 PolarHBondContact O-N 3.45Å; I225-F235 HydrophobicContact CD1-CD2 4.31Å; I225-F235 HydrophobicContact CD1-CE2 3.86Å; I225-F235 HydrophobicContact CG1-CD2 4.11Å; I225-F235 HydrophobicContact CG1-CE2 3.54Å; K233-F235 HydrophobicContact CD-CE1 3.8Å; K233-F235 HydrophobicContact CD-CE2 4.39Å; K233-F235 HydrophobicContact CD-CZ 3.66Å; K233-F235 HydrophobicContact CG-CE1 4.35Å; K233-F235 HydrophobicContact CG-CZ 4.27Å; F235-I240 HydrophobicContact CB-CD1 3.92Å; F235-I240 HydrophobicContact CB-CG1 4.25Å; F235-I240 WeakPolarHBondContact O-CD1 3.08Å; F235-I252 HydrophobicContact CD2-CD1 3.68Å; F235-I252 HydrophobicContact CE2-CD1 3.95Å; F235-I252 HydrophobicContact CG-CD1 4.3Å; F235-L254 HydrophobicContact CB-CD2 4.36Å; F235-L254 HydrophobicContact CD1-CD1 3.69Å; F235-L254 HydrophobicContact CD1-CD2 3.83Å; F235-L254 HydrophobicContact CD1-CG 4.32Å; F235-L254 HydrophobicContact CE1-CD1 3.76Å; F235-L254 HydrophobicContact CG-CD2 4.45Å; F235-Q263 HydrophobicContact CE1-CG 3.85Å; F235-Q263 HydrophobicContact CZ-CB 4.18Å; F235-Q263 HydrophobicContact CZ-CG 3.87Å; F235-F265 HydrophobicContact CE2-CE2 4.14Å; F235-F265 AromaticContact CE2-CZ 3.78Å; F235-F265 HydrophobicContact CE2-CZ 3.78Å; F235-F265 HydrophobicContact CZ-CZ 4.08Å
236	L	88.6	Confident	83.1	Confident	20 Å²	20	61.6 Å²	61.6	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.7	-178.8	-56.8	-178.9	0	0	0	111.7	F221 T234 S238 R239 I240 A614	F221-L236 HydrophobicContact CD2-CD2 4.18Å; F221-L236 WeakPolarHBondContact O-CA 3.43Å; T234-L236 HydrophobicContact CG2-CD2 3.91Å; L236-S238 PolarHBondContact O-N 3.41Å; L236-R239 HydrophobicContact CB-CG 4.44Å; L236-R239 PolarHBondContact O-N 2.8Å; L236-I240 WeakPolarHBondContact O-CG1 3.27Å; L236-I240 PolarHBondContact O-N 2.94Å; L236-A614 HydrophobicContact CD1-CB 3.57Å; L236-A614 HydrophobicContact CD2-CB 3.33Å; L236-A614 HydrophobicContact CG-CB 4.07Å
237	W	90.2	Very high	84	Confident	8 Å²	8	70.4 Å²	70.4	3%	0.03	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-55.1	-37	176.4	-64.7	132.7	0	0	0	112.3	V218 A219 S220 F221 G222 V223 R239 I240 L243 C280 H283 H284 R288	V218-W237 HydrophobicContact CG1-CH2 3.87Å; V218-W237 HydrophobicContact CG1-CZ2 3.71Å; A219-W237 WeakPolarHBondContact O-CZ2 3.24Å; A219-W237 PolarHBondContact O-NE1 2.8Å; S220-W237 PolarHBondContact O-NE1 3.44Å; S220-W237 VanDerWaalsContact O-NE1 3.12Å; F221-W237 PolarHBondContact O-N 3.12Å; G222-W237 VanDerWaalsContact CA-CE2 3.46Å; G222-W237 VanDerWaalsContact N-NE1 3.16Å; V223-W237 HydrophobicContact CG2-CE3 4.49Å; V223-W237 HydrophobicContact CG2-CH2 3.28Å; V223-W237 HydrophobicContact CG2-CZ2 4.14Å; V223-W237 HydrophobicContact CG2-CZ3 3.5Å; V223-W237 VanDerWaalsContact CG2-CZ3 3.5Å; W237-R239 PolarHBondContact O-N 3.36Å; W237-R239 VanDerWaalsContact O-N 3.15Å; W237-I240 HydrophobicContact CE3-CD1 3.55Å; W237-I240 HydrophobicContact CZ3-CD1 3.72Å; W237-I240 PolarHBondContact O-N 3.05Å; W237-L243 HydrophobicContact CZ3-CD1 4.17Å; W237-C280 HydrophobicContact CH2-CB 4.04Å; W237-C280 HydrophobicContact CZ3-CB 4.34Å; W237-H283 HydrophobicContact CH2-CB 4.45Å; W237-H283 HydrophobicContact CZ2-CB 3.78Å; W237-H284 HydrophobicContact CD2-CB 4.3Å; W237-H284 HydrophobicContact CE3-CB 4Å; W237-H284 HydrophobicContact CZ3-CB 4.23Å; W237-R288 HydrophobicContact CB-CB 4.32Å; W237-R288 HydrophobicContact CB-CG 4.42Å
238	S	85.4	Confident	84.8	Confident	80 Å²	80	70.7 Å²	70.7	56%	0.559	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21.4	177	58.2	0	0	0	0	114.5	L236	L236-S238 PolarHBondContact O-N 3.41Å
239	R	86.6	Confident	86	Confident	140 Å²	140	64.5 Å²	64.5	53%	0.528	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-104.2	-11.5	179.7	-61.8	-171.3	-178.9	-161	-0.2	113.2	L236 W237 L254 K255	L236-R239 HydrophobicContact CB-CG 4.44Å; L236-R239 PolarHBondContact O-N 2.8Å; W237-R239 PolarHBondContact O-N 3.36Å; W237-R239 VanDerWaalsContact O-N 3.15Å; R239-L254 CarbonylContact O-C 3.53Å; R239-L254 VanDerWaalsContact O-CA 3.3Å; R239-L254 WeakPolarHBondContact O-CA 3.44Å; R239-K255 PolarHBondContact O-N 3.28Å
240	I	89.7	Confident	87.2	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.9	-179.7	-67.3	167.3	0	0	0	109.1	V223 F235 L236 W237 L243 I252 L254	V223-I240 HydrophobicContact CG2-CD1 4.18Å; F235-I240 HydrophobicContact CB-CD1 3.92Å; F235-I240 HydrophobicContact CB-CG1 4.25Å; F235-I240 WeakPolarHBondContact O-CD1 3.08Å; L236-I240 WeakPolarHBondContact O-CG1 3.27Å; L236-I240 PolarHBondContact O-N 2.94Å; W237-I240 HydrophobicContact CE3-CD1 3.55Å; W237-I240 HydrophobicContact CZ3-CD1 3.72Å; W237-I240 PolarHBondContact O-N 3.05Å; I240-L243 HydrophobicContact CG2-CD1 4.28Å; I240-L243 HydrophobicContact CG2-CD2 3.84Å; I240-L243 HydrophobicContact CG2-CG 3.74Å; I240-I252 HydrophobicContact CD1-CG2 4.13Å; I240-I252 HydrophobicContact CG1-CG2 3.82Å; I240-I252 HydrophobicContact CG2-CG2 4.25Å; I240-L254 HydrophobicContact CG1-CD2 3.84Å
241	M	85.9	Confident	88.4	Confident	104 Å²	104	62.9 Å²	62.9	51%	0.512	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-39.4	176.9	-67	-176.5	69.1	0	0	112.5	Q253 K255	M241-Q253 HydrophobicContact CB-CG 4.49Å; M241-Q253 PolarHBondContact N-O 3.01Å; M241-K255 HydrophobicContact CG-CB 3.79Å; M241-K255 HydrophobicContact SD-CB 3.9Å; M241-K255 HydrophobicContact SD-CG 4.33Å
242	K	89.9	Confident	89.4	Confident	119 Å²	119	61.8 Å²	61.8	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	139.1	-175.5	-175.3	178.9	178	179.6	0	111	Q253	K242-Q253 HydrophobicContact CB-CB 3.95Å; K242-Q253 PolarHBondContact N-O 3.08Å; K242-Q253 PolarHBondContact O-N 2.86Å
243	L	92.7	Very high	89.9	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.9	172.2	-65	162	0	0	0	108.4	W237 I240 F250 I252 W277 C280 I281	W237-L243 HydrophobicContact CZ3-CD1 4.17Å; I240-L243 HydrophobicContact CG2-CD1 4.28Å; I240-L243 HydrophobicContact CG2-CD2 3.84Å; I240-L243 HydrophobicContact CG2-CG 3.74Å; L243-F250 HydrophobicContact CD2-CZ 3.96Å; L243-I252 HydrophobicContact CD2-CB 4.46Å; L243-I252 HydrophobicContact CD2-CG1 4.03Å; L243-I252 HydrophobicContact CD2-CG2 4.25Å; L243-W277 PolarHBondContact O-NE1 2.89Å; L243-C280 HydrophobicContact CD1-CB 3.62Å; L243-C280 HydrophobicContact CD2-CB 4.48Å; L243-I281 HydrophobicContact CB-CD1 4.3Å; L243-I281 HydrophobicContact CD1-CD1 4.2Å
244	S	92.6	Very high	90.2	Very high	40 Å²	40	59.1 Å²	59.1	28%	0.28	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	166.8	179.2	61.1	0	0	0	0	111.8	F251	S244-F251 PolarHBondContact N-O 2.73Å; S244-F251 VanDerWaalsContact N-O 3.07Å; S244-F251 PolarHBondContact O-N 2.87Å
245	F	92.2	Very high	90	Very high	51 Å²	51	65.8 Å²	65.8	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151	174.7	75.7	-80.5	0	0	0	110.8	Q249 F250 T270 K274 W277	F245-Q249 CarbonylContact C-O 3.57Å; F245-Q249 WeakPolarHBondContact CA-O 3.31Å; F245-Q249 VanDerWaalsContact CB-O 3.29Å; F245-Q249 WeakPolarHBondContact CB-O 3.38Å; F245-F250 HydrophobicContact CB-CD2 4.22Å; F245-T270 HydrophobicContact CE2-CG2 4.45Å; F245-K274 HydrophobicContact CE1-CB 4.24Å; F245-K274 HydrophobicContact CE1-CG 4.18Å; F245-K274 HydrophobicContact CE2-CB 3.85Å; F245-K274 HydrophobicContact CE2-CG 4.4Å; F245-K274 HydrophobicContact CZ-CB 3.65Å; F245-K274 HydrophobicContact CZ-CD 4.15Å; F245-K274 HydrophobicContact CZ-CG 3.72Å; F245-W277 HydrophobicContact CD1-CB 3.7Å; F245-W277 AromaticContact CD1-CD2 3.91Å; F245-W277 HydrophobicContact CD1-CD2 3.91Å; F245-W277 HydrophobicContact CD1-CE3 4.3Å; F245-W277 AromaticContact CD1-CG 3.63Å; F245-W277 HydrophobicContact CD1-CG 3.63Å; F245-W277 HydrophobicContact CE1-CB 4.28Å; F245-W277 AromaticContact CE1-CD2 3.93Å; F245-W277 HydrophobicContact CE1-CD2 3.93Å; F245-W277 AromaticContact CE1-CE3 3.87Å; F245-W277 HydrophobicContact CE1-CE3 3.87Å; F245-W277 HydrophobicContact CE1-CG 4.12Å; F245-W277 HydrophobicContact CG-CB 4.43Å
246	K	91.6	Very high	88.9	Confident	142 Å²	142	68.7 Å²	68.7	62%	0.617	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	116.2	173.8	-174	179.9	179.9	-178.4	0	108.4	K248 Q249 F251	K246-K248 PolarHBondContact O-N 2.69Å; K246-Q249 PolarHBondContact N-O 2.9Å; K246-Q249 WeakPolarHBondContact O-CB 3.09Å; K246-Q249 PolarHBondContact O-N 2.91Å; K246-F251 HydrophobicContact CB-CE2 4Å
247	R	92.2	Very high	87.6	Confident	196 Å²	196	77.7 Å²	77.7	74%	0.74	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-122	-172.8	-58.8	178.5	174.9	176.5	-2.5	110	Q249 T270 S273	R247-Q249 VanDerWaalsContact C-N 3.34Å; R247-T270 WeakPolarHBondContact CA-OG1 3.45Å; R247-T270 WeakPolarHBondContact O-CA 2.96Å; R247-S273 WeakPolarHBondContact O-CB 3.42Å; R247-S273 PolarHBondContact O-OG 3.4Å
248	K	91.2	Very high	86.1	Confident	107 Å²	107	81.8 Å²	81.8	47%	0.465	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2	178.7	-61.9	-168.6	-177.7	-162.5	0	114	K246 T266 L267 S268 S273	K246-K248 PolarHBondContact O-N 2.69Å; K248-T266 HydrophobicContact CB-CG2 4.43Å; K248-T266 CarbonylContact O-C 3.52Å; K248-T266 WeakPolarHBondContact O-CA 3.46Å; K248-L267 WeakPolarHBondContact CB-O 3.38Å; K248-L267 PolarHBondContact O-N 2.86Å; K248-S268 VanDerWaalsContact CE-O 3.3Å; K248-S268 WeakPolarHBondContact CE-O 3.27Å; K248-S268 PolarHBondContact NZ-O 3.18Å; K248-S273 VanDerWaalsContact C-OG 3.3Å; K248-S273 WeakPolarHBondContact CA-OG 3.34Å; K248-S273 PolarHBondContact O-OG 3.17Å
249	Q	93.4	Very high	85	Confident	80 Å²	80	82.6 Å²	82.6	37%	0.374	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131	-176.5	-65.2	178.5	-45	0	0	111	F245 K246 R247 F251 F265	F245-Q249 CarbonylContact C-O 3.57Å; F245-Q249 WeakPolarHBondContact CA-O 3.31Å; F245-Q249 VanDerWaalsContact CB-O 3.29Å; F245-Q249 WeakPolarHBondContact CB-O 3.38Å; K246-Q249 PolarHBondContact N-O 2.9Å; K246-Q249 WeakPolarHBondContact O-CB 3.09Å; K246-Q249 PolarHBondContact O-N 2.91Å; R247-Q249 VanDerWaalsContact C-N 3.34Å; Q249-F251 HydrophobicContact CB-CE1 4.5Å; Q249-F251 HydrophobicContact CB-CE2 3.63Å; Q249-F251 HydrophobicContact CB-CZ 3.59Å; Q249-F251 HydrophobicContact CG-CZ 4.47Å; Q249-F265 CarbonylContact C-O 3.2Å; Q249-F265 WeakPolarHBondContact CA-O 3.22Å
250	F	92.8	Very high	84	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.7	176.4	-178.9	-107.3	0	0	0	110	L243 F245 I252 C264 F265 L267 L276 W277	L243-F250 HydrophobicContact CD2-CZ 3.96Å; F245-F250 HydrophobicContact CB-CD2 4.22Å; F250-I252 HydrophobicContact CD1-CG1 4.18Å; F250-I252 HydrophobicContact CE1-CD1 3.95Å; F250-I252 HydrophobicContact CE1-CG1 3.63Å; F250-I252 HydrophobicContact CZ-CG1 4.39Å; F250-C264 CarbonylContact O-C 3.54Å; F250-C264 WeakPolarHBondContact O-CA 3.32Å; F250-F265 HydrophobicContact CD1-CD2 4.28Å; F250-F265 PolarHBondContact N-O 3.44Å; F250-F265 PolarHBondContact O-N 2.84Å; F250-L267 HydrophobicContact CB-CD1 4.32Å; F250-L267 HydrophobicContact CB-CG 4.36Å; F250-L276 HydrophobicContact CB-CD2 4.48Å; F250-L276 HydrophobicContact CD1-CD2 3.65Å; F250-L276 HydrophobicContact CD1-CG 4.41Å; F250-L276 HydrophobicContact CD2-CD2 4.25Å; F250-L276 HydrophobicContact CD2-CG 4.45Å; F250-L276 HydrophobicContact CE1-CD2 3.83Å; F250-L276 HydrophobicContact CE1-CG 4.18Å; F250-L276 HydrophobicContact CE2-CD2 4.43Å; F250-L276 HydrophobicContact CE2-CG 4.26Å; F250-L276 HydrophobicContact CG-CD2 3.87Å; F250-L276 HydrophobicContact CZ-CD2 4.21Å; F250-L276 HydrophobicContact CZ-CG 4.1Å; F250-W277 HydrophobicContact CD2-CB 4.17Å; F250-W277 HydrophobicContact CE2-CB 3.74Å; F250-W277 HydrophobicContact CE2-CG 4.38Å
251	F	93.7	Very high	83.5	Confident	44 Å²	44	86.6 Å²	86.6	19%	0.193	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.1	-171.6	-56.6	-89.8	0	0	0	111.4	S244 K246 Q249 V262 Q263 C264	S244-F251 PolarHBondContact N-O 2.73Å; S244-F251 VanDerWaalsContact N-O 3.07Å; S244-F251 PolarHBondContact O-N 2.87Å; K246-F251 HydrophobicContact CB-CE2 4Å; Q249-F251 HydrophobicContact CB-CE1 4.5Å; Q249-F251 HydrophobicContact CB-CE2 3.63Å; Q249-F251 HydrophobicContact CB-CZ 3.59Å; Q249-F251 HydrophobicContact CG-CZ 4.47Å; F251-V262 HydrophobicContact CB-CG1 4.19Å; F251-V262 HydrophobicContact CD1-CG1 3.95Å; F251-Q263 CarbonylContact C-O 3.59Å; F251-Q263 VanDerWaalsContact CA-O 3.32Å; F251-Q263 WeakPolarHBondContact CA-O 3.28Å; F251-C264 HydrophobicContact CD1-CB 3.88Å; F251-C264 HydrophobicContact CE1-CB 3.89Å; F251-C264 WeakPolarHBondContact CE1-SG 3.48Å
252	I	92.8	Very high	83.6	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.7	171.6	-52.3	179.9	0	0	0	108.1	V223 F235 I240 L243 F250 L254 Q263 F265	V223-I252 HydrophobicContact CB-CD1 4.41Å; V223-I252 HydrophobicContact CG1-CD1 4.17Å; F235-I252 HydrophobicContact CD2-CD1 3.68Å; F235-I252 HydrophobicContact CE2-CD1 3.95Å; F235-I252 HydrophobicContact CG-CD1 4.3Å; I240-I252 HydrophobicContact CD1-CG2 4.13Å; I240-I252 HydrophobicContact CG1-CG2 3.82Å; I240-I252 HydrophobicContact CG2-CG2 4.25Å; L243-I252 HydrophobicContact CD2-CB 4.46Å; L243-I252 HydrophobicContact CD2-CG1 4.03Å; L243-I252 HydrophobicContact CD2-CG2 4.25Å; F250-I252 HydrophobicContact CD1-CG1 4.18Å; F250-I252 HydrophobicContact CE1-CD1 3.95Å; F250-I252 HydrophobicContact CE1-CG1 3.63Å; F250-I252 HydrophobicContact CZ-CG1 4.39Å; I252-L254 HydrophobicContact CG2-CD2 3.82Å; I252-L254 HydrophobicContact CG2-CG 4.44Å; I252-Q263 HydrophobicContact CB-CB 4.44Å; I252-Q263 PolarHBondContact N-O 3.5Å; I252-Q263 PolarHBondContact O-N 3.22Å; I252-F265 HydrophobicContact CD1-CE2 3.89Å; I252-F265 HydrophobicContact CG1-CE2 4.28Å
253	Q	91.1	Very high	83.5	Confident	39 Å²	39	83 Å²	83	18%	0.182	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.6	175.1	-174.5	176.9	-6.8	0	0	109.6	M241 K242 V262	M241-Q253 HydrophobicContact CB-CG 4.49Å; M241-Q253 PolarHBondContact N-O 3.01Å; K242-Q253 HydrophobicContact CB-CB 3.95Å; K242-Q253 PolarHBondContact N-O 3.08Å; K242-Q253 PolarHBondContact O-N 2.86Å; Q253-V262 HydrophobicContact CB-CG2 4.4Å; Q253-V262 HydrophobicContact CG-CG2 4.16Å
254	L	88.6	Confident	83.5	Confident	22 Å²	22	85 Å²	85	12%	0.115	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	149.3	-176.7	-55.2	170.9	0	0	0	111.8	F235 R239 I240 I252 T261 Q263	F235-L254 HydrophobicContact CB-CD2 4.36Å; F235-L254 HydrophobicContact CD1-CD1 3.69Å; F235-L254 HydrophobicContact CD1-CD2 3.83Å; F235-L254 HydrophobicContact CD1-CG 4.32Å; F235-L254 HydrophobicContact CE1-CD1 3.76Å; F235-L254 HydrophobicContact CG-CD2 4.45Å; R239-L254 CarbonylContact O-C 3.53Å; R239-L254 VanDerWaalsContact O-CA 3.3Å; R239-L254 WeakPolarHBondContact O-CA 3.44Å; I240-L254 HydrophobicContact CG1-CD2 3.84Å; I252-L254 HydrophobicContact CG2-CD2 3.82Å; I252-L254 HydrophobicContact CG2-CG 4.44Å; L254-T261 PolarHBondContact N-O 3.38Å; L254-Q263 HydrophobicContact CD1-CG 4.39Å
255	K	80.5	Confident	83.3	Confident	155 Å²	155	84.4 Å²	84.4	67%	0.674	42%	0.415	S	S	*	.			trans	-75.4	124.9	164.5	-170.1	-179.3	178.9	-174.9	0	108.2	R239 M241	R239-K255 PolarHBondContact O-N 3.28Å; M241-K255 HydrophobicContact CG-CB 3.79Å; M241-K255 HydrophobicContact SD-CB 3.9Å; M241-K255 HydrophobicContact SD-CG 4.33Å
256	S	66.1	Low	83.2	Confident	65 Å²	65	87 Å²	87	46%	0.455	44%	0.436	S	S	.	.			trans	-135.2	155.8	170.6	152.9	0	0	0	0	108.3	A258 V259	S256-A258 VanDerWaalsContact C-N 3.25Å; S256-A258 PolarHBondContact O-N 2.95Å; S256-V259 WeakPolarHBondContact CB-O 3.46Å; S256-V259 PolarHBondContact OG-O 2.85Å
257	E	60.8	Low	83	Confident	209 Å²	209	80.6 Å²	80.6	98%	0.977	41%	0.408	S	S	*	.	S	Bend	trans	-62.4	-29.1	-167.6	-69.8	175.3	-178.9	0	0	113.3
258	A	58.2	Low	82.6	Confident	94 Å²	94	73.5 Å²	73.5	78%	0.777	39%	0.389	S	S	*	.	S	Bend	trans	-128	-29.5	-179	0	0	0	0	0	114.6	S256	S256-A258 VanDerWaalsContact C-N 3.25Å; S256-A258 PolarHBondContact O-N 2.95Å
259	V	62.5	Low	82.4	Confident	97 Å²	97	70 Å²	70	59%	0.588	38%	0.378	S	S	*	.	S	Bend	trans	-135.5	133.4	-170	-176.1	0	0	0	0	111.3	S256 T261	S256-V259 WeakPolarHBondContact CB-O 3.46Å; S256-V259 PolarHBondContact OG-O 2.85Å; V259-T261 PolarHBondContact O-N 2.89Å; V259-T261 VanDerWaalsContact O-N 3.16Å
260	R	65.2	Low	82.2	Confident	185 Å²	185	69.6 Å²	69.6	70%	0.698	38%	0.38	S	S	*	.			trans	-71.1	107.6	172	-68.8	173.7	178.4	174.3	3.6	109.6
261	T	80.3	Confident	81.8	Confident	53 Å²	53	73.9 Å²	73.9	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130	174.9	62	0	0	0	0	110.6	L254 V259	L254-T261 PolarHBondContact N-O 3.38Å; V259-T261 PolarHBondContact O-N 2.89Å; V259-T261 VanDerWaalsContact O-N 3.16Å
262	V	86.7	Confident	81.4	Confident	80 Å²	80	73.2 Å²	73.2	49%	0.485	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.3	174.3	-178	0	0	0	0	108.9	F251 Q253	F251-V262 HydrophobicContact CB-CG1 4.19Å; F251-V262 HydrophobicContact CD1-CG1 3.95Å; Q253-V262 HydrophobicContact CB-CG2 4.4Å; Q253-V262 HydrophobicContact CG-CG2 4.16Å
263	Q	89.6	Confident	81.2	Confident	66 Å²	66	73.2 Å²	73.2	31%	0.308	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.3	174.3	-65.6	-77.8	-36.8	0	0	108.7	F235 F251 I252 L254 F265	F235-Q263 HydrophobicContact CE1-CG 3.85Å; F235-Q263 HydrophobicContact CZ-CB 4.18Å; F235-Q263 HydrophobicContact CZ-CG 3.87Å; F251-Q263 CarbonylContact C-O 3.59Å; F251-Q263 VanDerWaalsContact CA-O 3.32Å; F251-Q263 WeakPolarHBondContact CA-O 3.28Å; I252-Q263 HydrophobicContact CB-CB 4.44Å; I252-Q263 PolarHBondContact N-O 3.5Å; I252-Q263 PolarHBondContact O-N 3.22Å; L254-Q263 HydrophobicContact CD1-CG 4.39Å; Q263-F265 HydrophobicContact CB-CE2 4.01Å; Q263-F265 HydrophobicContact CB-CZ 4.39Å
264	C	91.2	Very high	81.1	Confident	61 Å²	61	75.3 Å²	75.3	41%	0.412	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.7	-176.5	179.5	0	0	0	0	110.9	F250 F251	F250-C264 CarbonylContact O-C 3.54Å; F250-C264 WeakPolarHBondContact O-CA 3.32Å; F251-C264 HydrophobicContact CD1-CB 3.88Å; F251-C264 HydrophobicContact CE1-CB 3.89Å; F251-C264 WeakPolarHBondContact CE1-SG 3.48Å
265	F	89.6	Confident	81	Confident	26 Å²	26	77.4 Å²	77.4	11%	0.114	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	177.6	-58.6	-85.5	0	0	0	110.3	L214 I216 I225 F235 Q249 F250 I252 Q263 L267	L214-F265 HydrophobicContact CD2-CD1 4.08Å; L214-F265 HydrophobicContact CD2-CE1 4.42Å; I216-F265 HydrophobicContact CD1-CB 4Å; I216-F265 HydrophobicContact CD1-CD1 4.19Å; I216-F265 HydrophobicContact CD1-CD2 4.39Å; I216-F265 HydrophobicContact CD1-CG 3.93Å; I225-F265 HydrophobicContact CD1-CE1 3.81Å; I225-F265 HydrophobicContact CD1-CE2 4.29Å; I225-F265 HydrophobicContact CD1-CZ 3.66Å; I225-F265 HydrophobicContact CG1-CE1 4.26Å; I225-F265 HydrophobicContact CG1-CZ 4.09Å; I225-F265 HydrophobicContact CG2-CE1 4.4Å; F235-F265 HydrophobicContact CE2-CE2 4.14Å; F235-F265 AromaticContact CE2-CZ 3.78Å; F235-F265 HydrophobicContact CE2-CZ 3.78Å; F235-F265 HydrophobicContact CZ-CZ 4.08Å; Q249-F265 CarbonylContact C-O 3.2Å; Q249-F265 WeakPolarHBondContact CA-O 3.22Å; F250-F265 HydrophobicContact CD1-CD2 4.28Å; F250-F265 PolarHBondContact N-O 3.44Å; F250-F265 PolarHBondContact O-N 2.84Å; I252-F265 HydrophobicContact CD1-CE2 3.89Å; I252-F265 HydrophobicContact CG1-CE2 4.28Å; Q263-F265 HydrophobicContact CB-CE2 4.01Å; Q263-F265 HydrophobicContact CB-CZ 4.39Å; F265-L267 HydrophobicContact CB-CD2 4.23Å
266	T	90	Very high	81.4	Confident	106 Å²	106	70.7 Å²	70.7	65%	0.65	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.9	175.3	-58.7	0	0	0	0	109.8	K248	K248-T266 HydrophobicContact CB-CG2 4.43Å; K248-T266 CarbonylContact O-C 3.52Å; K248-T266 WeakPolarHBondContact O-CA 3.46Å
267	L	86.1	Confident	82.6	Confident	8 Å²	8	69 Å²	69	4%	0.042	37%	0.37	C	S	.	.			trans	-100.3	169.9	-178.9	-48.2	-164.8	0	0	0	111.8	L211 I216 K248 F250 F265 S269 T272 S273 L276	L211-L267 HydrophobicContact CD1-CD2 3.62Å; L211-L267 HydrophobicContact CD2-CB 4.07Å; L211-L267 HydrophobicContact CD2-CD2 3.9Å; L211-L267 HydrophobicContact CD2-CG 4.49Å; L211-L267 HydrophobicContact CG-CD2 4.41Å; I216-L267 HydrophobicContact CD1-CD2 3.98Å; K248-L267 WeakPolarHBondContact CB-O 3.38Å; K248-L267 PolarHBondContact O-N 2.86Å; F250-L267 HydrophobicContact CB-CD1 4.32Å; F250-L267 HydrophobicContact CB-CG 4.36Å; F265-L267 HydrophobicContact CB-CD2 4.23Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 3.13Å; L267-T272 HydrophobicContact CB-CG2 4.36Å; L267-T272 HydrophobicContact CD1-CG2 4.13Å; L267-S273 VanDerWaalsContact CD1-CA 3.49Å; L267-L276 HydrophobicContact CD1-CB 4.17Å; L267-L276 HydrophobicContact CD1-CD2 3.69Å; L267-L276 HydrophobicContact CD2-CD2 4.47Å
268	S	85	Confident	84	Confident	47 Å²	47	59.7 Å²	59.7	33%	0.329	33%	0.326	S	S	.	.	S	Bend	trans	-60.6	-38.4	-177.9	55.1	0	0	0	0	113.5	K248 T272	K248-S268 VanDerWaalsContact CE-O 3.3Å; K248-S268 WeakPolarHBondContact CE-O 3.27Å; K248-S268 PolarHBondContact NZ-O 3.18Å; S268-T272 PolarHBondContact OG-OG1 2.68Å; S268-T272 VanDerWaalsContact OG-OG1 3.1Å
269	S	86.1	Confident	85.5	Confident	33 Å²	33	56.5 Å²	56.5	23%	0.231	30%	0.298	C	S	.	.			trans	-147.9	162.8	-177.3	81.5	0	0	0	0	113.5	L267 R271 T272 S273	L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 3.13Å; S269-R271 PolarHBondContact O-N 3.06Å; S269-R271 PolarHBondContact OG-N 2.95Å; S269-T272 PolarHBondContact O-N 2.95Å; S269-T272 PolarHBondContact OG-N 2.78Å; S269-T272 PolarHBondContact OG-OG1 2.8Å; S269-S273 PolarHBondContact O-N 3.33Å; S269-S273 PolarHBondContact O-OG 2.71Å
270	T	89	Confident	86.9	Confident	71 Å²	71	51.9 Å²	51.9	44%	0.436	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-33.3	170.9	-55.4	0	0	0	0	111.5	F245 R247 S273 K274	F245-T270 HydrophobicContact CE2-CG2 4.45Å; R247-T270 WeakPolarHBondContact CA-OG1 3.45Å; R247-T270 WeakPolarHBondContact O-CA 2.96Å; T270-S273 PolarHBondContact O-N 2.8Å; T270-K274 WeakPolarHBondContact O-CB 3.12Å; T270-K274 PolarHBondContact O-N 2.92Å
271	R	84.7	Confident	88.2	Confident	90 Å²	90	45 Å²	45	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-47.8	176.8	-173.3	177	-174.8	-166.6	10.6	110.8	S76 D78 S269 S273 K274 M275	S76-R271 PolarHBondContact OG-NH1 3.4Å; D78-R271 VanDerWaalsContact OD2-CD 3.25Å; D78-R271 WeakPolarHBondContact OD2-CD 3.46Å; D78-R271 IonicContact OD2-CZ 2.69Å; D78-R271 VanDerWaalsContact OD2-CZ 3.22Å; D78-R271 IonicContact OD2-NE 3.57Å; D78-R271 PolarHBondContact OD2-NE 2.91Å; D78-R271 IonicContact OD2-NH1 2.86Å; D78-R271 PolarHBondContact OD2-NH1 2.83Å; S269-R271 PolarHBondContact O-N 3.06Å; S269-R271 PolarHBondContact OG-N 2.95Å; R271-S273 VanDerWaalsContact C-N 3.3Å; R271-S273 PolarHBondContact O-N 2.87Å; R271-K274 WeakPolarHBondContact O-CB 3.37Å; R271-K274 PolarHBondContact O-N 2.65Å; R271-K274 VanDerWaalsContact O-N 3.16Å; R271-M275 WeakPolarHBondContact O-CG 3.41Å; R271-M275 PolarHBondContact O-N 3.38Å
272	T	84.8	Confident	88.8	Confident	31 Å²	31	43.2 Å²	43.2	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-42.7	175.9	-47.8	0	0	0	0	111.2	L267 S268 S269 K274 M275 L276	L267-T272 HydrophobicContact CB-CG2 4.36Å; L267-T272 HydrophobicContact CD1-CG2 4.13Å; S268-T272 PolarHBondContact OG-OG1 2.68Å; S268-T272 VanDerWaalsContact OG-OG1 3.1Å; S269-T272 PolarHBondContact O-N 2.95Å; S269-T272 PolarHBondContact OG-N 2.78Å; S269-T272 PolarHBondContact OG-OG1 2.8Å; T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 2.89Å; T272-M275 PolarHBondContact O-N 2.84Å; T272-L276 WeakPolarHBondContact O-CB 3.48Å; T272-L276 PolarHBondContact O-N 2.82Å
273	S	88.7	Confident	89	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-42.8	176.2	-54.8	0	0	0	0	112.2	R247 K248 L267 S269 T270 R271 W277	R247-S273 WeakPolarHBondContact O-CB 3.42Å; R247-S273 PolarHBondContact O-OG 3.4Å; K248-S273 VanDerWaalsContact C-OG 3.3Å; K248-S273 WeakPolarHBondContact CA-OG 3.34Å; K248-S273 PolarHBondContact O-OG 3.17Å; L267-S273 VanDerWaalsContact CD1-CA 3.49Å; S269-S273 PolarHBondContact O-N 3.33Å; S269-S273 PolarHBondContact O-OG 2.71Å; T270-S273 PolarHBondContact O-N 2.8Å; R271-S273 VanDerWaalsContact C-N 3.3Å; R271-S273 PolarHBondContact O-N 2.87Å; S273-W277 VanDerWaalsContact O-CB 3.26Å; S273-W277 WeakPolarHBondContact O-CB 3.46Å; S273-W277 PolarHBondContact O-N 3.29Å
274	K	88.5	Confident	89.1	Confident	82 Å²	82	38.4 Å²	38.4	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-66	-41.4	174.7	-173.4	172.9	-176.7	173.4	0	112.2	F245 T270 R271 T272 W277 K278	F245-K274 HydrophobicContact CE1-CB 4.24Å; F245-K274 HydrophobicContact CE1-CG 4.18Å; F245-K274 HydrophobicContact CE2-CB 3.85Å; F245-K274 HydrophobicContact CE2-CG 4.4Å; F245-K274 HydrophobicContact CZ-CB 3.65Å; F245-K274 HydrophobicContact CZ-CD 4.15Å; F245-K274 HydrophobicContact CZ-CG 3.72Å; T270-K274 WeakPolarHBondContact O-CB 3.12Å; T270-K274 PolarHBondContact O-N 2.92Å; R271-K274 WeakPolarHBondContact O-CB 3.37Å; R271-K274 PolarHBondContact O-N 2.65Å; R271-K274 VanDerWaalsContact O-N 3.16Å; T272-K274 VanDerWaalsContact C-N 3.34Å; T272-K274 PolarHBondContact O-N 2.89Å; K274-W277 PolarHBondContact O-N 2.86Å; K274-K278 WeakPolarHBondContact O-CG 3.45Å; K274-K278 PolarHBondContact O-N 3.05Å
275	M	86.7	Confident	89.2	Confident	66 Å²	66	35.9 Å²	35.9	33%	0.325	19%	0.19	S	C	.	.	H	α-helix	trans	-65.7	-46.3	179	-69.8	-59.4	96.3	0	0	111.7	R271 T272 W277 K278 S279	R271-M275 WeakPolarHBondContact O-CG 3.41Å; R271-M275 PolarHBondContact O-N 3.38Å; T272-M275 PolarHBondContact O-N 2.84Å; M275-W277 VanDerWaalsContact C-N 3.34Å; M275-W277 PolarHBondContact O-N 3.32Å; M275-K278 HydrophobicContact CE-CD 3.93Å; M275-K278 PolarHBondContact O-N 2.86Å; M275-S279 WeakPolarHBondContact O-CB 3.05Å; M275-S279 PolarHBondContact O-N 3.04Å
276	L	88.7	Confident	89.4	Confident	15 Å²	15	34.7 Å²	34.7	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-46.3	174.8	177.1	62.3	0	0	0	111.2	I216 V218 F250 L267 T272 K278 S279 C280	I216-L276 HydrophobicContact CB-CD1 4.36Å; I216-L276 HydrophobicContact CB-CD2 4.21Å; I216-L276 HydrophobicContact CD1-CD2 3.72Å; I216-L276 HydrophobicContact CG2-CD1 3.89Å; I216-L276 HydrophobicContact CG2-CD2 4.03Å; V218-L276 HydrophobicContact CG2-CD1 3.79Å; F250-L276 HydrophobicContact CB-CD2 4.48Å; F250-L276 HydrophobicContact CD1-CD2 3.65Å; F250-L276 HydrophobicContact CD1-CG 4.41Å; F250-L276 HydrophobicContact CD2-CD2 4.25Å; F250-L276 HydrophobicContact CD2-CG 4.45Å; F250-L276 HydrophobicContact CE1-CD2 3.83Å; F250-L276 HydrophobicContact CE1-CG 4.18Å; F250-L276 HydrophobicContact CE2-CD2 4.43Å; F250-L276 HydrophobicContact CE2-CG 4.26Å; F250-L276 HydrophobicContact CG-CD2 3.87Å; F250-L276 HydrophobicContact CZ-CD2 4.21Å; F250-L276 HydrophobicContact CZ-CG 4.1Å; L267-L276 HydrophobicContact CD1-CB 4.17Å; L267-L276 HydrophobicContact CD1-CD2 3.69Å; L267-L276 HydrophobicContact CD2-CD2 4.47Å; T272-L276 WeakPolarHBondContact O-CB 3.48Å; T272-L276 PolarHBondContact O-N 2.82Å; L276-K278 PolarHBondContact O-N 3.36Å; L276-S279 PolarHBondContact O-N 3.48Å; L276-C280 PolarHBondContact O-N 3.44Å; L276-C280 PolarHBondContact O-SG 3.44Å
277	W	92.1	Very high	89.4	Confident	29 Å²	29	31.1 Å²	31.1	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-47	176.7	175.1	80.6	0	0	0	111.9	L243 F245 F250 S273 K274 M275 S279 C280 I281 S305 F307	L243-W277 PolarHBondContact O-NE1 2.89Å; F245-W277 HydrophobicContact CD1-CB 3.7Å; F245-W277 AromaticContact CD1-CD2 3.91Å; F245-W277 HydrophobicContact CD1-CD2 3.91Å; F245-W277 HydrophobicContact CD1-CE3 4.3Å; F245-W277 AromaticContact CD1-CG 3.63Å; F245-W277 HydrophobicContact CD1-CG 3.63Å; F245-W277 HydrophobicContact CE1-CB 4.28Å; F245-W277 AromaticContact CE1-CD2 3.93Å; F245-W277 HydrophobicContact CE1-CD2 3.93Å; F245-W277 AromaticContact CE1-CE3 3.87Å; F245-W277 HydrophobicContact CE1-CE3 3.87Å; F245-W277 HydrophobicContact CE1-CG 4.12Å; F245-W277 HydrophobicContact CG-CB 4.43Å; F250-W277 HydrophobicContact CD2-CB 4.17Å; F250-W277 HydrophobicContact CE2-CB 3.74Å; F250-W277 HydrophobicContact CE2-CG 4.38Å; S273-W277 VanDerWaalsContact O-CB 3.26Å; S273-W277 WeakPolarHBondContact O-CB 3.46Å; S273-W277 PolarHBondContact O-N 3.29Å; K274-W277 PolarHBondContact O-N 2.86Å; M275-W277 VanDerWaalsContact C-N 3.34Å; M275-W277 PolarHBondContact O-N 3.32Å; W277-S279 PolarHBondContact O-N 3.18Å; W277-C280 PolarHBondContact O-N 2.65Å; W277-I281 HydrophobicContact CD2-CG1 4.14Å; W277-I281 HydrophobicContact CH2-CG1 4.44Å; W277-I281 HydrophobicContact CZ2-CD1 4.32Å; W277-I281 HydrophobicContact CZ2-CG1 3.9Å; W277-I281 VanDerWaalsContact O-CG1 3.32Å; W277-I281 WeakPolarHBondContact O-CG1 3.34Å; W277-I281 PolarHBondContact O-N 2.84Å; W277-S305 WeakPolarHBondContact CZ3-OG 3.47Å; W277-F307 HydrophobicContact CH2-CB 4.15Å; W277-F307 HydrophobicContact CZ3-CB 3.79Å; W277-F307 HydrophobicContact CZ3-CD1 4.25Å; W277-F307 HydrophobicContact CZ3-CG 4.44Å
278	K	90.3	Very high	89.5	Confident	14 Å²	14	37 Å²	37	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-51	175.1	-76.1	-168.2	178.4	-166.9	0	111.7	E84 K274 M275 L276 C280 I281 E282 F307	E84-K278 IonicContact OE1-NZ 3.61Å; E84-K278 PolarHBondContact OE1-NZ 3.21Å; E84-K278 IonicContact OE2-NZ 3.66Å; E84-K278 PolarHBondContact OE2-NZ 3.19Å; K274-K278 WeakPolarHBondContact O-CG 3.45Å; K274-K278 PolarHBondContact O-N 3.05Å; M275-K278 HydrophobicContact CE-CD 3.93Å; M275-K278 PolarHBondContact O-N 2.86Å; L276-K278 PolarHBondContact O-N 3.36Å; K278-C280 VanDerWaalsContact C-N 3.27Å; K278-C280 PolarHBondContact O-N 3.26Å; K278-I281 WeakPolarHBondContact O-CB 3.2Å; K278-I281 PolarHBondContact O-N 3.35Å; K278-E282 WeakPolarHBondContact O-CG 3.42Å; K278-E282 PolarHBondContact O-N 3.27Å; K278-F307 HydrophobicContact CB-CD1 4.1Å; K278-F307 HydrophobicContact CB-CE1 3.94Å; K278-F307 HydrophobicContact CB-CZ 4.33Å; K278-F307 HydrophobicContact CD-CD1 4.18Å; K278-F307 HydrophobicContact CD-CD2 3.79Å; K278-F307 HydrophobicContact CD-CE1 4.34Å; K278-F307 HydrophobicContact CD-CE2 3.97Å; K278-F307 HydrophobicContact CD-CG 3.89Å; K278-F307 HydrophobicContact CD-CZ 4.24Å; K278-F307 HydrophobicContact CG-CB 4.29Å; K278-F307 HydrophobicContact CG-CD1 3.66Å; K278-F307 HydrophobicContact CG-CD2 4.19Å; K278-F307 HydrophobicContact CG-CE1 3.98Å; K278-F307 HydrophobicContact CG-CE2 4.46Å; K278-F307 HydrophobicContact CG-CG 3.77Å; K278-F307 HydrophobicContact CG-CZ 4.36Å
279	S	89.5	Confident	89.7	Confident	27 Å²	27	37.1 Å²	37.1	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-55.4	-43.3	179.6	177.9	0	0	0	0	111.7	M275 L276 W277 E282 H283	M275-S279 WeakPolarHBondContact O-CB 3.05Å; M275-S279 PolarHBondContact O-N 3.04Å; L276-S279 PolarHBondContact O-N 3.48Å; W277-S279 PolarHBondContact O-N 3.18Å; S279-E282 PolarHBondContact O-N 3.31Å; S279-H283 PolarHBondContact O-N 2.99Å; S279-H283 PolarHBondContact O-ND1 3.37Å
280	C	92.6	Very high	89.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-40.6	175.7	-63.3	0	0	0	0	112.5	W237 L243 L276 W277 K278 H284	W237-C280 HydrophobicContact CH2-CB 4.04Å; W237-C280 HydrophobicContact CZ3-CB 4.34Å; L243-C280 HydrophobicContact CD1-CB 3.62Å; L243-C280 HydrophobicContact CD2-CB 4.48Å; L276-C280 PolarHBondContact O-N 3.44Å; L276-C280 PolarHBondContact O-SG 3.44Å; W277-C280 PolarHBondContact O-N 2.65Å; K278-C280 VanDerWaalsContact C-N 3.27Å; K278-C280 PolarHBondContact O-N 3.26Å; C280-H284 WeakPolarHBondContact O-CB 3.37Å; C280-H284 PolarHBondContact O-N 2.94Å
281	I	91.7	Very high	89.9	Confident	39 Å²	39	40.8 Å²	40.8	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-41.7	176.3	-66.1	-60.4	0	0	0	111.1	L243 W277 K278 T285 F307	L243-I281 HydrophobicContact CB-CD1 4.3Å; L243-I281 HydrophobicContact CD1-CD1 4.2Å; W277-I281 HydrophobicContact CD2-CG1 4.14Å; W277-I281 HydrophobicContact CH2-CG1 4.44Å; W277-I281 HydrophobicContact CZ2-CD1 4.32Å; W277-I281 HydrophobicContact CZ2-CG1 3.9Å; W277-I281 VanDerWaalsContact O-CG1 3.32Å; W277-I281 WeakPolarHBondContact O-CG1 3.34Å; W277-I281 PolarHBondContact O-N 2.84Å; K278-I281 WeakPolarHBondContact O-CB 3.2Å; K278-I281 PolarHBondContact O-N 3.35Å; I281-T285 VanDerWaalsContact O-CB 3.31Å; I281-T285 WeakPolarHBondContact O-CB 3.45Å; I281-T285 PolarHBondContact O-N 3.34Å; I281-T285 PolarHBondContact O-OG1 3.35Å; I281-F307 HydrophobicContact CG2-CD1 4.42Å; I281-F307 HydrophobicContact CG2-CE1 4.38Å
282	E	92.2	Very high	90.1	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-52.1	176.7	-64.8	178.5	113.8	0	0	111.1	K105 F106 K278 S279 T285 F286 F307 Y309	K105-E282 WeakPolarHBondContact CE-OE1 3.4Å; K105-E282 IonicContact NZ-OE1 2.81Å; K105-E282 PolarHBondContact NZ-OE1 2.89Å; K105-E282 IonicContact NZ-OE2 2.82Å; F106-E282 HydrophobicContact CE1-CB 4.12Å; F106-E282 HydrophobicContact CZ-CB 4.14Å; K278-E282 WeakPolarHBondContact O-CG 3.42Å; K278-E282 PolarHBondContact O-N 3.27Å; S279-E282 PolarHBondContact O-N 3.31Å; E282-T285 PolarHBondContact O-N 3.13Å; E282-F286 WeakPolarHBondContact O-CB 3.32Å; E282-F286 PolarHBondContact O-N 3.43Å; E282-F307 HydrophobicContact CG-CE1 3.68Å; E282-F307 HydrophobicContact CG-CZ 3.6Å; E282-Y309 HydrophobicContact CB-CD2 4.04Å; E282-Y309 HydrophobicContact CG-CD2 3.99Å
283	H	91.6	Very high	90	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-43.1	-179	-76.8	68.4	0	0	0	112.3	F106 N207 V218 W237 S279 T285 F286 F287	F106-H283 AromaticContact CD1-CE1 4Å; F106-H283 AromaticContact CD1-NE2 3.97Å; F106-H283 AromaticContact CE1-ND1 3.88Å; N207-H283 PolarHBondContact ND2-NE2 3.2Å; V218-H283 HydrophobicContact CG1-CB 3.56Å; W237-H283 HydrophobicContact CH2-CB 4.45Å; W237-H283 HydrophobicContact CZ2-CB 3.78Å; S279-H283 PolarHBondContact O-N 2.99Å; S279-H283 PolarHBondContact O-ND1 3.37Å; H283-T285 VanDerWaalsContact C-N 3.34Å; H283-T285 PolarHBondContact O-N 3.49Å; H283-F286 PolarHBondContact O-N 3.03Å; H283-F287 HydrophobicContact CB-CD2 4.36Å; H283-F287 AromaticContact CD2-CE2 3.85Å; H283-F287 WeakPolarHBondContact O-CB 3.38Å; H283-F287 WeakPolarHBondContact O-CD2 3.23Å; H283-F287 PolarHBondContact O-N 3.12Å
284	H	92.9	Very high	89.5	Confident	41 Å²	41	44.5 Å²	44.5	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-48.5	173.3	175.5	-80.8	0	0	0	110.3	W237 C280 F286 R288	W237-H284 HydrophobicContact CD2-CB 4.3Å; W237-H284 HydrophobicContact CE3-CB 4Å; W237-H284 HydrophobicContact CZ3-CB 4.23Å; C280-H284 WeakPolarHBondContact O-CB 3.37Å; C280-H284 PolarHBondContact O-N 2.94Å; H284-F286 PolarHBondContact O-N 3.39Å; H284-R288 WeakPolarHBondContact O-CA 3.48Å; H284-R288 WeakPolarHBondContact O-CB 3.38Å; H284-R288 PolarHBondContact O-N 3.07Å
285	T	92.9	Very high	88.6	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-46.2	-179.7	-55.5	0	0	0	0	111.6	I281 E282 H283 L289 P292 Y309 T313	I281-T285 VanDerWaalsContact O-CB 3.31Å; I281-T285 WeakPolarHBondContact O-CB 3.45Å; I281-T285 PolarHBondContact O-N 3.34Å; I281-T285 PolarHBondContact O-OG1 3.35Å; E282-T285 PolarHBondContact O-N 3.13Å; H283-T285 VanDerWaalsContact C-N 3.34Å; H283-T285 PolarHBondContact O-N 3.49Å; T285-L289 HydrophobicContact CG2-CD1 4.2Å; T285-L289 WeakPolarHBondContact O-CB 3.47Å; T285-L289 PolarHBondContact O-N 2.87Å; T285-P292 HydrophobicContact CG2-CB 3.96Å; T285-P292 HydrophobicContact CG2-CG 4.32Å; T285-Y309 HydrophobicContact CG2-CD1 3.42Å; T285-Y309 VanDerWaalsContact CG2-CD1 3.42Å; T285-Y309 HydrophobicContact CG2-CE1 4.23Å; T285-Y309 HydrophobicContact CG2-CG 4Å; T285-T313 WeakPolarHBondContact O-CG2 3.3Å
286	F	93.5	Very high	87.6	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-48.4	-176.5	-174	-99.7	0	0	0	113.1	D66 Y67 F106 E282 H283 H284 Y309 R312 E314	D66-F286 HydrophobicContact CB-CE2 3.93Å; D66-F286 HydrophobicContact CB-CZ 4.48Å; Y67-F286 AromaticContact CD1-CE1 3.81Å; Y67-F286 HydrophobicContact CD1-CE1 3.81Å; Y67-F286 AromaticContact CD1-CZ 3.62Å; Y67-F286 HydrophobicContact CD1-CZ 3.62Å; Y67-F286 AromaticContact CE1-CE1 3.68Å; Y67-F286 HydrophobicContact CE1-CE1 3.68Å; Y67-F286 AromaticContact CE1-CZ 3.57Å; Y67-F286 HydrophobicContact CE1-CZ 3.57Å; Y67-F286 HydrophobicContact CG-CZ 4.48Å; F106-F286 HydrophobicContact CB-CD1 3.69Å; F106-F286 HydrophobicContact CB-CE1 3.52Å; F106-F286 HydrophobicContact CB-CG 4.43Å; F106-F286 HydrophobicContact CB-CZ 4.14Å; F106-F286 HydrophobicContact CD1-CB 4.03Å; F106-F286 AromaticContact CD1-CD1 3.82Å; F106-F286 HydrophobicContact CD1-CD1 3.82Å; F106-F286 HydrophobicContact CD1-CE1 4.5Å; F106-F286 AromaticContact CD1-CG 3.93Å; F106-F286 HydrophobicContact CD1-CG 3.93Å; F106-F286 HydrophobicContact CD2-CD1 4.01Å; F106-F286 AromaticContact CD2-CD2 3.9Å; F106-F286 HydrophobicContact CD2-CD2 3.9Å; F106-F286 HydrophobicContact CD2-CE1 4.1Å; F106-F286 AromaticContact CD2-CE2 3.99Å; F106-F286 HydrophobicContact CD2-CE2 3.99Å; F106-F286 AromaticContact CD2-CG 3.9Å; F106-F286 HydrophobicContact CD2-CG 3.9Å; F106-F286 HydrophobicContact CD2-CZ 4.09Å; F106-F286 HydrophobicContact CE1-CB 3.81Å; F106-F286 HydrophobicContact CE1-CD1 4.43Å; F106-F286 HydrophobicContact CE1-CG 4.08Å; F106-F286 HydrophobicContact CE2-CB 4.41Å; F106-F286 AromaticContact CE2-CD2 3.92Å; F106-F286 HydrophobicContact CE2-CD2 3.92Å; F106-F286 HydrophobicContact CE2-CE2 4.34Å; F106-F286 HydrophobicContact CE2-CG 4.05Å; F106-F286 HydrophobicContact CG-CB 4.43Å; F106-F286 AromaticContact CG-CD1 3.58Å; F106-F286 HydrophobicContact CG-CD1 3.58Å; F106-F286 HydrophobicContact CG-CD2 4.29Å; F106-F286 AromaticContact CG-CE1 3.82Å; F106-F286 HydrophobicContact CG-CE1 3.82Å; F106-F286 HydrophobicContact CG-CE2 4.5Å; F106-F286 AromaticContact CG-CG 3.83Å; F106-F286 HydrophobicContact CG-CG 3.83Å; F106-F286 HydrophobicContact CG-CZ 4.28Å; F106-F286 HydrophobicContact CZ-CB 4.01Å; F106-F286 HydrophobicContact CZ-CD2 4.34Å; F106-F286 HydrophobicContact CZ-CG 4.14Å; E282-F286 WeakPolarHBondContact O-CB 3.32Å; E282-F286 PolarHBondContact O-N 3.43Å; H283-F286 PolarHBondContact O-N 3.03Å; H284-F286 PolarHBondContact O-N 3.39Å; F286-Y309 WeakPolarHBondContact CD2-OH 3.41Å; F286-R312 VanDerWaalsContact CD2-O 3.26Å; F286-R312 WeakPolarHBondContact CD2-O 3.48Å; F286-R312 WeakPolarHBondContact CE2-O 3.5Å; F286-E314 HydrophobicContact CD1-CB 4.18Å; F286-E314 HydrophobicContact CE1-CB 3.81Å; F286-E314 HydrophobicContact CE1-CG 4.41Å; F286-E314 HydrophobicContact CZ-CB 4.1Å; F286-E314 WeakPolarHBondContact O-CB 3.36Å; F286-E314 PolarHBondContact O-N 3.47Å
287	F	89.8	Confident	86.3	Confident	31 Å²	31	50.4 Å²	50.4	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-92.5	-24.3	-173.9	-69	-69	0	0	0	114.5	F106 Y107 S220 H283 E314	F106-F287 HydrophobicContact CB-CE2 3.99Å; F106-F287 HydrophobicContact CB-CZ 3.73Å; F106-F287 AromaticContact CD1-CE2 3.95Å; F106-F287 HydrophobicContact CD1-CE2 3.95Å; F106-F287 HydrophobicContact CG-CE2 4.39Å; Y107-F287 VanDerWaalsContact O-CZ 3.3Å; Y107-F287 WeakPolarHBondContact O-CZ 3.46Å; S220-F287 VanDerWaalsContact CA-CD2 3.49Å; S220-F287 WeakPolarHBondContact O-CB 3.5Å; H283-F287 HydrophobicContact CB-CD2 4.36Å; H283-F287 AromaticContact CD2-CE2 3.85Å; H283-F287 WeakPolarHBondContact O-CB 3.38Å; H283-F287 WeakPolarHBondContact O-CD2 3.23Å; H283-F287 PolarHBondContact O-N 3.12Å; F287-E314 HydrophobicContact CD1-CB 4.41Å; F287-E314 WeakPolarHBondContact CE1-OE1 3.44Å
288	R	88.9	Confident	84.7	Confident	131 Å²	131	58.4 Å²	58.4	49%	0.494	34%	0.338	S	S	.	.	H	α-helix	trans	-103.1	-30	-172.9	-178.3	57.9	-171.8	93.2	-4.4	114.1	W237 H284	W237-R288 HydrophobicContact CB-CB 4.32Å; W237-R288 HydrophobicContact CB-CG 4.42Å; H284-R288 WeakPolarHBondContact O-CA 3.48Å; H284-R288 WeakPolarHBondContact O-CB 3.38Å; H284-R288 PolarHBondContact O-N 3.07Å
289	L	89.3	Confident	83.2	Confident	51 Å²	51	60.6 Å²	60.6	27%	0.267	36%	0.359	S	S	.	.			trans	-100.1	146.9	-173.3	-57.1	-173.9	0	0	0	111.5	T285 S291 P293 T313	T285-L289 HydrophobicContact CG2-CD1 4.2Å; T285-L289 WeakPolarHBondContact O-CB 3.47Å; T285-L289 PolarHBondContact O-N 2.87Å; L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 WeakPolarHBondContact CB-O 3.49Å; L289-P293 HydrophobicContact CD1-CG 3.95Å; L289-T313 VanDerWaalsContact O-CB 3.28Å; L289-T313 WeakPolarHBondContact O-CB 3.24Å; L289-T313 VanDerWaalsContact O-CG2 3.3Å; L289-T313 WeakPolarHBondContact O-CG2 3.27Å; L289-T313 PolarHBondContact O-OG1 2.97Å
290	I	88.7	Confident	81.8	Confident	119 Å²	119	66.8 Å²	66.8	61%	0.61	39%	0.389	S	S	*	.	S	Bend	trans	-67.1	-39.7	173.8	-66.6	175	0	0	0	109.9	T313 Q316	I290-T313 PolarHBondContact O-OG1 3.45Å; I290-Q316 WeakPolarHBondContact O-CG 3.43Å
291	S	90.1	Very high	80.1	Confident	61 Å²	61	74.9 Å²	74.9	43%	0.427	42%	0.424	S	S	.	.	S	Bend	trans	-145.2	158.7	174.5	64.8	0	0	0	0	110.1	L289	L289-S291 VanDerWaalsContact C-N 3.33Å; L289-S291 WeakPolarHBondContact CB-O 3.49Å
292	P	88.8	Confident	78.2	Confident	34 Å²	34	76.8 Å²	76.8	22%	0.221	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-61.6	148	173.9	-18.6	32.4	0	0	0	111.3	T285 Y309 G311 T313	T285-P292 HydrophobicContact CG2-CB 3.96Å; T285-P292 HydrophobicContact CG2-CG 4.32Å; P292-Y309 HydrophobicContact CB-CD1 4.28Å; P292-Y309 HydrophobicContact CG-CD1 4.01Å; P292-Y309 HydrophobicContact CG-CE1 4.17Å; P292-G311 WeakPolarHBondContact CG-O 3.35Å; P292-T313 HydrophobicContact CG-CG2 4.29Å
293	P	83.3	Confident	76.5	Confident	80 Å²	80	85.7 Å²	85.7	52%	0.519	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-62.2	138.7	176.7	-20.2	31.3	0	0	0	112	L289	L289-P293 HydrophobicContact CD1-CG 3.95Å
294	A	78.3	Confident	75	Confident	86 Å²	86	88.6 Å²	88.6	71%	0.711	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-59.8	147.8	175.5	0	0	0	0	0	111.5	S296	A294-S296 PolarHBondContact O-N 2.84Å
295	P	69.1	Low	73.8	Confident	115 Å²	115	88.4 Å²	88.4	75%	0.747	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.3	121.2	174.4	-18	30.2	0	0	0	110.5
296	S	65.5	Low	72.8	Confident	77 Å²	77	94.1 Å²	94.1	54%	0.538	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-66.1	146.1	169.4	64.6	0	0	0	0	110.5	A294 K298 R308	A294-S296 PolarHBondContact O-N 2.84Å; S296-K298 PolarHBondContact O-N 2.57Å; S296-R308 PolarHBondContact OG-NH2 2.95Å
297	A	61.1	Low	72.3	Confident	95 Å²	95	95.5 Å²	95.5	79%	0.785	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-50	135.3	169.9	0	0	0	0	0	110.4	A299	A297-A299 PolarHBondContact O-N 2.92Å
298	K	59.4	Low	71.9	Confident	197 Å²	197	100 Å²	100	86%	0.857	56%	0.559	S	S	*	*			trans	-67.6	96.6	-178.8	-69	-179.2	-178.6	173.2	0	109.1	S296 L300	S296-K298 PolarHBondContact O-N 2.57Å; K298-L300 PolarHBondContact O-N 2.97Å
299	A	58.4	Low	71.9	Confident	60 Å²	60	94.9 Å²	94.9	50%	0.496	54%	0.54	S	S	.	.			trans	-65.6	126.3	163.6	0	0	0	0	0	108.2	A297 F301 T302	A297-A299 PolarHBondContact O-N 2.92Å; A299-F301 PolarHBondContact O-N 3.11Å; A299-T302 HydrophobicContact CB-CG2 4.27Å; A299-T302 PolarHBondContact O-N 3.37Å; A299-T302 PolarHBondContact O-OG1 2.93Å
300	L	60.2	Low	71.5	Confident	157 Å²	157	95 Å²	95	82%	0.822	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.5	-173.6	-98.3	114.5	0	0	0	114.4	K298	K298-L300 PolarHBondContact O-N 2.97Å
301	F	56.5	Low	71.5	Confident	170 Å²	170	91.4 Å²	91.4	75%	0.746	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	39.2	-172.9	-57.7	-72.5	0	0	0	114	A299 F303	A299-F301 PolarHBondContact O-N 3.11Å; F301-F303 PolarHBondContact O-N 3.11Å
302	T	52.1	Low	71.5	Confident	79 Å²	79	90.9 Å²	90.9	49%	0.485	53%	0.526	S	S	.	.			trans	-74.2	100.4	174.1	26.3	0	0	0	0	111.6	A299 G304 Q306	A299-T302 HydrophobicContact CB-CG2 4.27Å; A299-T302 PolarHBondContact O-N 3.37Å; A299-T302 PolarHBondContact O-OG1 2.93Å; T302-G304 PolarHBondContact O-N 2.79Å; T302-Q306 PolarHBondContact OG1-NE2 3.27Å
303	F	57	Low	71.8	Confident	204 Å²	204	89.2 Å²	89.2	90%	0.895	52%	0.515	S	S	*	.			trans	-73	116.6	166.4	-71.7	-82.8	0	0	0	110.1	F301	F301-F303 PolarHBondContact O-N 3.11Å
304	G	60.4	Low	72.2	Confident	64 Å²	64	86.2 Å²	86.2	66%	0.66	49%	0.494	S	S	*	.	S	Bend	trans	146.9	175.6	174.7	0	0	0	0	0	114.2	T302 Q306	T302-G304 PolarHBondContact O-N 2.79Å; G304-Q306 PolarHBondContact O-N 3Å
305	S	67.5	Low	72.8	Confident	38 Å²	38	86.3 Å²	86.3	27%	0.266	48%	0.48	S	S	.	.			trans	-75	113.5	174.6	-178.3	0	0	0	0	110.3	W277 F307	W277-S305 WeakPolarHBondContact CZ3-OG 3.47Å; S305-F307 PolarHBondContact O-N 2.68Å
306	Q	71	Confident	73.9	Confident	126 Å²	126	84 Å²	84	59%	0.589	46%	0.459	S	S	*	.			trans	-84.8	17.6	179	-64.7	-175.1	-11.1	0	0	114.3	T302 G304 R308	T302-Q306 PolarHBondContact OG1-NE2 3.27Å; G304-Q306 PolarHBondContact O-N 3Å; Q306-R308 PolarHBondContact O-N 3.34Å
307	F	82.7	Confident	75.1	Confident	30 Å²	30	80.4 Å²	80.4	13%	0.132	43%	0.434	C	S	.	.			trans	-62.3	137.2	179.8	174.6	-98.5	0	0	0	110.9	W277 K278 I281 E282 S305	W277-F307 HydrophobicContact CH2-CB 4.15Å; W277-F307 HydrophobicContact CZ3-CB 3.79Å; W277-F307 HydrophobicContact CZ3-CD1 4.25Å; W277-F307 HydrophobicContact CZ3-CG 4.44Å; K278-F307 HydrophobicContact CB-CD1 4.1Å; K278-F307 HydrophobicContact CB-CE1 3.94Å; K278-F307 HydrophobicContact CB-CZ 4.33Å; K278-F307 HydrophobicContact CD-CD1 4.18Å; K278-F307 HydrophobicContact CD-CD2 3.79Å; K278-F307 HydrophobicContact CD-CE1 4.34Å; K278-F307 HydrophobicContact CD-CE2 3.97Å; K278-F307 HydrophobicContact CD-CG 3.89Å; K278-F307 HydrophobicContact CD-CZ 4.24Å; K278-F307 HydrophobicContact CG-CB 4.29Å; K278-F307 HydrophobicContact CG-CD1 3.66Å; K278-F307 HydrophobicContact CG-CD2 4.19Å; K278-F307 HydrophobicContact CG-CE1 3.98Å; K278-F307 HydrophobicContact CG-CE2 4.46Å; K278-F307 HydrophobicContact CG-CG 3.77Å; K278-F307 HydrophobicContact CG-CZ 4.36Å; I281-F307 HydrophobicContact CG2-CD1 4.42Å; I281-F307 HydrophobicContact CG2-CE1 4.38Å; E282-F307 HydrophobicContact CG-CE1 3.68Å; E282-F307 HydrophobicContact CG-CZ 3.6Å; S305-F307 PolarHBondContact O-N 2.68Å
308	R	81.8	Confident	76.4	Confident	126 Å²	126	77.6 Å²	77.6	48%	0.475	41%	0.406	S	S	.	.			trans	-134.8	146.1	172.1	-57.1	-161.7	-167	-76.3	3.8	108.9	S296 Q306	S296-R308 PolarHBondContact OG-NH2 2.95Å; Q306-R308 PolarHBondContact O-N 3.34Å
309	Y	87.9	Confident	77.7	Confident	23 Å²	23	71.3 Å²	71.3	9%	0.09	38%	0.379	C	S	.	.			trans	-66.8	136	169.7	175.2	-102.6	0	0	0	109.7	F106 E282 T285 F286 P292 G311 R312	F106-Y309 HydrophobicContact CE2-CE2 4.06Å; F106-Y309 HydrophobicContact CZ-CD2 4.44Å; F106-Y309 AromaticContact CZ-CE2 3.72Å; F106-Y309 HydrophobicContact CZ-CE2 3.72Å; E282-Y309 HydrophobicContact CB-CD2 4.04Å; E282-Y309 HydrophobicContact CG-CD2 3.99Å; T285-Y309 HydrophobicContact CG2-CD1 3.42Å; T285-Y309 VanDerWaalsContact CG2-CD1 3.42Å; T285-Y309 HydrophobicContact CG2-CE1 4.23Å; T285-Y309 HydrophobicContact CG2-CG 4Å; F286-Y309 WeakPolarHBondContact CD2-OH 3.41Å; P292-Y309 HydrophobicContact CB-CD1 4.28Å; P292-Y309 HydrophobicContact CG-CD1 4.01Å; P292-Y309 HydrophobicContact CG-CE1 4.17Å; Y309-G311 WeakPolarHBondContact CE1-O 3.24Å; Y309-R312 PolarHBondContact OH-O 3.22Å
310	S	82.3	Confident	79.1	Confident	53 Å²	53	71.2 Å²	71.2	37%	0.371	37%	0.369	S	S	.	.			trans	-126.2	124.7	174.6	57.8	0	0	0	0	108
311	G	87.7	Confident	80.2	Confident	44 Å²	44	65.3 Å²	65.3	45%	0.454	34%	0.337	S	S	.	.	S	Bend	trans	143.4	177.4	-174	0	0	0	0	0	111	P292 Y309	P292-G311 WeakPolarHBondContact CG-O 3.35Å; Y309-G311 WeakPolarHBondContact CE1-O 3.24Å
312	R	91.2	Very high	81.3	Confident	50 Å²	50	64.2 Å²	64.2	19%	0.189	33%	0.332	C	S	.	.			trans	-82.9	149.6	173.4	-67.5	175.9	-65.1	-170.1	6.9	110.6	D66 F286 Y309 Q316 E320	D66-R312 VanDerWaalsContact CG-NE 3.31Å; D66-R312 VanDerWaalsContact CG-NH2 3.32Å; D66-R312 IonicContact OD1-CZ 2.94Å; D66-R312 IonicContact OD1-NE 3.28Å; D66-R312 PolarHBondContact OD1-NE 3Å; D66-R312 IonicContact OD1-NH2 3.78Å; D66-R312 PolarHBondContact OD1-NH2 3.2Å; D66-R312 IonicContact OD2-CZ 3.37Å; D66-R312 IonicContact OD2-NE 3.21Å; D66-R312 PolarHBondContact OD2-NE 3.42Å; D66-R312 IonicContact OD2-NH2 2.71Å; D66-R312 PolarHBondContact OD2-NH2 2.8Å; F286-R312 VanDerWaalsContact CD2-O 3.26Å; F286-R312 WeakPolarHBondContact CD2-O 3.48Å; F286-R312 WeakPolarHBondContact CE2-O 3.5Å; Y309-R312 PolarHBondContact OH-O 3.22Å; R312-Q316 HydrophobicContact CB-CB 3.88Å; R312-Q316 HydrophobicContact CG-CB 4.26Å; R312-E320 IonicContact CZ-OE2 3.39Å; R312-E320 IonicContact NH1-OE1 3.35Å; R312-E320 PolarHBondContact NH1-OE1 2.92Å; R312-E320 IonicContact NH1-OE2 2.78Å; R312-E320 PolarHBondContact NH1-OE2 2.89Å
313	T	94.4	Very high	82.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.344	C	S	.	.			trans	-78.7	164.9	170.1	60.9	0	0	0	0	111	T285 L289 I290 P292 H315 Q316 T317	T285-T313 WeakPolarHBondContact O-CG2 3.3Å; L289-T313 VanDerWaalsContact O-CB 3.28Å; L289-T313 WeakPolarHBondContact O-CB 3.24Å; L289-T313 VanDerWaalsContact O-CG2 3.3Å; L289-T313 WeakPolarHBondContact O-CG2 3.27Å; L289-T313 PolarHBondContact O-OG1 2.97Å; I290-T313 PolarHBondContact O-OG1 3.45Å; P292-T313 HydrophobicContact CG-CG2 4.29Å; T313-H315 PolarHBondContact O-N 3Å; T313-Q316 PolarHBondContact O-N 3.34Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.31Å; T313-Q316 PolarHBondContact OG1-N 2.86Å; T313-Q316 VanDerWaalsContact OG1-N 3.16Å; T313-Q316 PolarHBondContact OG1-OE1 3.22Å; T313-T317 PolarHBondContact O-N 3.19Å; T313-T317 PolarHBondContact O-OG1 3.11Å; T313-T317 VanDerWaalsContact O-OG1 3.12Å
314	E	92	Very high	83.5	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-52.8	-40.7	172.7	-173	-171.8	-115.2	0	0	110.6	Y67 K113 F286 F287 T317 L318	Y67-E314 HydrophobicContact CE1-CG 4.47Å; K113-E314 WeakPolarHBondContact CD-OE1 3.14Å; K113-E314 IonicContact NZ-OE1 3.34Å; K113-E314 PolarHBondContact NZ-OE1 3.35Å; K113-E314 IonicContact NZ-OE2 3.58Å; K113-E314 PolarHBondContact NZ-OE2 3.29Å; F286-E314 HydrophobicContact CD1-CB 4.18Å; F286-E314 HydrophobicContact CE1-CB 3.81Å; F286-E314 HydrophobicContact CE1-CG 4.41Å; F286-E314 HydrophobicContact CZ-CB 4.1Å; F286-E314 WeakPolarHBondContact O-CB 3.36Å; F286-E314 PolarHBondContact O-N 3.47Å; F287-E314 HydrophobicContact CD1-CB 4.41Å; F287-E314 WeakPolarHBondContact CE1-OE1 3.44Å; E314-T317 PolarHBondContact O-N 2.96Å; E314-L318 HydrophobicContact CG-CD1 4.1Å; E314-L318 HydrophobicContact CG-CG 4.48Å; E314-L318 WeakPolarHBondContact O-CB 3.22Å; E314-L318 VanDerWaalsContact O-CG 3.29Å; E314-L318 WeakPolarHBondContact O-CG 3.28Å; E314-L318 PolarHBondContact O-N 2.86Å
315	H	90.1	Very high	83.2	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-47.3	176.1	-178.2	81.2	0	0	0	112.2	T313 L318 E319	T313-H315 PolarHBondContact O-N 3Å; H315-L318 PolarHBondContact O-N 2.88Å; H315-E319 WeakPolarHBondContact O-CB 3.34Å; H315-E319 VanDerWaalsContact O-CG 3.32Å; H315-E319 WeakPolarHBondContact O-CG 3.36Å; H315-E319 PolarHBondContact O-N 3.49Å
316	Q	92.8	Very high	82.6	Confident	66 Å²	66	74.9 Å²	74.9	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-39.7	177.7	-73.5	173.4	-48.1	0	0	112.4	I290 R312 T313 E319 E320	I290-Q316 WeakPolarHBondContact O-CG 3.43Å; R312-Q316 HydrophobicContact CB-CB 3.88Å; R312-Q316 HydrophobicContact CG-CB 4.26Å; T313-Q316 PolarHBondContact O-N 3.34Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.31Å; T313-Q316 PolarHBondContact OG1-N 2.86Å; T313-Q316 VanDerWaalsContact OG1-N 3.16Å; T313-Q316 PolarHBondContact OG1-OE1 3.22Å; Q316-E319 PolarHBondContact O-N 3.24Å; Q316-E320 WeakPolarHBondContact O-CB 3.39Å; Q316-E320 PolarHBondContact O-N 3.03Å
317	T	91.2	Very high	81.6	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-60.9	-47.6	175.6	-56.9	0	0	0	0	110.8	D66 Y67 T313 E314 E320 M321	D66-T317 VanDerWaalsContact CG-OG1 3.31Å; D66-T317 PolarHBondContact OD2-OG1 2.87Å; Y67-T317 HydrophobicContact CE2-CG2 4.12Å; T313-T317 PolarHBondContact O-N 3.19Å; T313-T317 PolarHBondContact O-OG1 3.11Å; T313-T317 VanDerWaalsContact O-OG1 3.12Å; E314-T317 PolarHBondContact O-N 2.96Å; T317-E320 PolarHBondContact O-N 3.03Å; T317-M321 WeakPolarHBondContact O-CG 3.49Å; T317-M321 PolarHBondContact O-N 3.24Å
318	L	88.5	Confident	80	Confident	36 Å²	36	76.2 Å²	76.2	19%	0.188	38%	0.382	C	S	.	.	H	α-helix	trans	-63.9	-43	177.3	-72.2	173	0	0	0	112.7	K113 L115 E314 H315 E320 M321 K322	K113-L318 HydrophobicContact CB-CD2 4.27Å; K113-L318 VanDerWaalsContact O-CD2 3.3Å; K113-L318 WeakPolarHBondContact O-CD2 3.32Å; L115-L318 HydrophobicContact CD1-CD2 4.34Å; E314-L318 HydrophobicContact CG-CD1 4.1Å; E314-L318 HydrophobicContact CG-CG 4.48Å; E314-L318 WeakPolarHBondContact O-CB 3.22Å; E314-L318 VanDerWaalsContact O-CG 3.29Å; E314-L318 WeakPolarHBondContact O-CG 3.28Å; E314-L318 PolarHBondContact O-N 2.86Å; H315-L318 PolarHBondContact O-N 2.88Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.9Å; L318-M321 PolarHBondContact O-N 3.29Å; L318-K322 WeakPolarHBondContact O-CG 3.36Å; L318-K322 PolarHBondContact O-N 3.18Å
319	E	86.6	Confident	78.7	Confident	65 Å²	65	77.3 Å²	77.3	30%	0.304	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-35.5	177.9	-74	-60.8	115.7	0	0	112.5	H315 Q316 K322 K323	H315-E319 WeakPolarHBondContact O-CB 3.34Å; H315-E319 VanDerWaalsContact O-CG 3.32Å; H315-E319 WeakPolarHBondContact O-CG 3.36Å; H315-E319 PolarHBondContact O-N 3.49Å; Q316-E319 PolarHBondContact O-N 3.24Å; E319-K322 PolarHBondContact O-N 3.42Å; E319-K322 WeakPolarHBondContact OE1-CD 3.4Å; E319-K322 WeakPolarHBondContact OE1-CE 3.3Å; E319-K322 IonicContact OE1-NZ 2.84Å; E319-K322 PolarHBondContact OE1-NZ 3.47Å; E319-K323 WeakPolarHBondContact O-CG 3.28Å; E319-K323 PolarHBondContact O-N 3.11Å
320	E	86.6	Confident	77	Confident	57 Å²	57	82.3 Å²	82.3	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-68.3	-39.8	173.4	-172.8	171.4	138	0	0	112.2	R312 Q316 T317 L318 K322 K323 R324	R312-E320 IonicContact CZ-OE2 3.39Å; R312-E320 IonicContact NH1-OE1 3.35Å; R312-E320 PolarHBondContact NH1-OE1 2.92Å; R312-E320 IonicContact NH1-OE2 2.78Å; R312-E320 PolarHBondContact NH1-OE2 2.89Å; Q316-E320 WeakPolarHBondContact O-CB 3.39Å; Q316-E320 PolarHBondContact O-N 3.03Å; T317-E320 PolarHBondContact O-N 3.03Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 2.9Å; E320-K322 VanDerWaalsContact C-N 3.26Å; E320-K322 PolarHBondContact O-N 2.89Å; E320-K323 WeakPolarHBondContact O-CB 3.35Å; E320-K323 PolarHBondContact O-N 3.42Å; E320-R324 PolarHBondContact O-N 3.07Å; E320-R324 IonicContact OE1-CZ 2.71Å; E320-R324 IonicContact OE1-NE 3.27Å; E320-R324 PolarHBondContact OE1-NE 2.8Å; E320-R324 IonicContact OE1-NH2 3.75Å; E320-R324 PolarHBondContact OE1-NH2 3.15Å
321	M	83.7	Confident	75.7	Confident	33 Å²	33	82 Å²	82	16%	0.163	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-33.7	174.8	-74	-60.6	-75.9	0	0	112.5	I63 E64 L115 E116 T317 L318 K323 R324	I63-M321 HydrophobicContact CB-SD 4.48Å; I63-M321 HydrophobicContact CG2-CE 4.23Å; I63-M321 HydrophobicContact CG2-SD 3.35Å; I63-M321 WeakPolarHBondContact CG2-SD 3.48Å; E64-M321 HydrophobicContact CG-CE 3.9Å; E64-M321 HydrophobicContact CG-CG 4.03Å; E64-M321 HydrophobicContact CG-SD 3.85Å; L115-M321 HydrophobicContact CB-CE 3.74Å; L115-M321 HydrophobicContact CD1-CB 3.51Å; L115-M321 HydrophobicContact CD1-CG 4.2Å; E116-M321 HydrophobicContact CB-CE 4.37Å; T317-M321 WeakPolarHBondContact O-CG 3.49Å; T317-M321 PolarHBondContact O-N 3.24Å; L318-M321 PolarHBondContact O-N 3.29Å; M321-K323 VanDerWaalsContact C-N 3.32Å; M321-R324 VanDerWaalsContact O-O 3.06Å
322	K	79.7	Confident	73.9	Confident	148 Å²	148	83.3 Å²	83.3	64%	0.643	42%	0.416	S	S	*	.	H	α-helix	trans	-66.6	-32.4	171.6	-69.7	174.8	-172	171.5	0	112.9	L318 E319 E320	L318-K322 WeakPolarHBondContact O-CG 3.36Å; L318-K322 PolarHBondContact O-N 3.18Å; E319-K322 PolarHBondContact O-N 3.42Å; E319-K322 WeakPolarHBondContact OE1-CD 3.4Å; E319-K322 WeakPolarHBondContact OE1-CE 3.3Å; E319-K322 IonicContact OE1-NZ 2.84Å; E319-K322 PolarHBondContact OE1-NZ 3.47Å; E320-K322 VanDerWaalsContact C-N 3.26Å; E320-K322 PolarHBondContact O-N 2.89Å
323	K	79.7	Confident	72.1	Confident	170 Å²	170	83.6 Å²	83.6	74%	0.739	42%	0.417	S	S	*	.	H	α-helix	trans	-79.5	-33.6	-179.8	-71.4	173.1	-175.4	178.4	0	113	E319 E320 M321 A325	E319-K323 WeakPolarHBondContact O-CG 3.28Å; E319-K323 PolarHBondContact O-N 3.11Å; E320-K323 WeakPolarHBondContact O-CB 3.35Å; E320-K323 PolarHBondContact O-N 3.42Å; M321-K323 VanDerWaalsContact C-N 3.32Å; K323-A325 PolarHBondContact O-N 2.67Å; K323-A325 VanDerWaalsContact O-N 3.09Å
324	R	74.9	Confident	69.6	Low	103 Å²	103	86.4 Å²	86.4	39%	0.389	44%	0.437	S	S	.	.	S	Bend	trans	-66.9	107.6	169	-66.4	178.4	-176.2	-135.4	3.1	105.9	E320 M321 R326	E320-R324 PolarHBondContact O-N 3.07Å; E320-R324 IonicContact OE1-CZ 2.71Å; E320-R324 IonicContact OE1-NE 3.27Å; E320-R324 PolarHBondContact OE1-NE 2.8Å; E320-R324 IonicContact OE1-NH2 3.75Å; E320-R324 PolarHBondContact OE1-NH2 3.15Å; M321-R324 VanDerWaalsContact O-O 3.06Å; R324-R326 PolarHBondContact O-N 3.1Å
325	A	54.5	Low	67	Low	79 Å²	79	90 Å²	90	65%	0.653	46%	0.46	S	S	*	.			trans	-43.3	141.6	170.6	0	0	0	0	0	108.5	K323 I327	K323-A325 PolarHBondContact O-N 2.67Å; K323-A325 VanDerWaalsContact O-N 3.09Å; A325-I327 WeakPolarHBondContact O-CG1 3.35Å; A325-I327 PolarHBondContact O-N 3.33Å
326	R	54.5	Low	64.4	Low	256 Å²	256	90.1 Å²	90.1	97%	0.966	46%	0.462	S	S	*	.			trans	-50	88.5	-176.7	-75.6	-178.4	-179	169.1	-0.4	110.2	R324 G328	R324-R326 PolarHBondContact O-N 3.1Å; R326-G328 PolarHBondContact O-N 2.86Å
327	I	51.8	Low	61.8	Low	114 Å²	114	91 Å²	91	59%	0.585	47%	0.465	S	S	*	.			trans	-78.4	91.3	175.8	-71.6	158.5	0	0	0	103.2	A325 K329	A325-I327 WeakPolarHBondContact O-CG1 3.35Å; A325-I327 PolarHBondContact O-N 3.33Å; I327-K329 HydrophobicContact CG2-CB 4.47Å; I327-K329 HydrophobicContact CG2-CG 4.12Å; I327-K329 PolarHBondContact O-N 3.44Å
328	G	49	Very low	59	Low	71 Å²	71	99 Å²	99	73%	0.732	50%	0.5	S	S	*	.			trans	-68.9	71.1	165.2	0	0	0	0	0	109.1	R326 T330	R326-G328 PolarHBondContact O-N 2.86Å; G328-T330 PolarHBondContact O-N 3.26Å
329	K	54.6	Low	56.4	Low	148 Å²	148	101.3 Å²	101.3	64%	0.643	52%	0.515	S	S	*	.			trans	-74.3	107.7	151.5	-88.9	-169.5	175.1	-176.4	0	105.1	E61 I327 F331	E61-K329 IonicContact OE2-NZ 3.73Å; E61-K329 PolarHBondContact OE2-NZ 2.94Å; I327-K329 HydrophobicContact CG2-CB 4.47Å; I327-K329 HydrophobicContact CG2-CG 4.12Å; I327-K329 PolarHBondContact O-N 3.44Å; K329-F331 PolarHBondContact O-N 3.13Å; K329-F331 VanDerWaalsContact O-N 3.09Å
330	T	50.3	Low	53.8	Low	128 Å²	128	104.7 Å²	104.7	79%	0.785	53%	0.529	S	S	*	.			trans	-66.3	107	173	-46.3	0	0	0	0	107.7	G328 C332	G328-T330 PolarHBondContact O-N 3.26Å; T330-C332 PolarHBondContact O-N 3.09Å
331	F	54.9	Low	51.1	Low	48 Å²	48	106.2 Å²	106.2	21%	0.211	54%	0.539	C	S	.	.			trans	-72.1	108.2	172.1	175.2	-105.7	0	0	0	108.2	E117 Y118 Y121 K329 R333	E117-F331 HydrophobicContact CB-CB 4.27Å; E117-F331 HydrophobicContact CG-CB 3.9Å; E117-F331 HydrophobicContact CG-CD1 3.7Å; E117-F331 HydrophobicContact CG-CG 4.18Å; Y118-F331 AromaticContact CD2-CD2 3.69Å; Y118-F331 HydrophobicContact CD2-CD2 3.69Å; Y118-F331 HydrophobicContact CD2-CE1 4.18Å; Y118-F331 AromaticContact CD2-CE2 3.19Å; Y118-F331 HydrophobicContact CD2-CE2 3.19Å; Y118-F331 HydrophobicContact CD2-CG 4.39Å; Y118-F331 AromaticContact CD2-CZ 3.46Å; Y118-F331 HydrophobicContact CD2-CZ 3.46Å; Y118-F331 VanDerWaalsContact CD2-CZ 3.46Å; Y118-F331 HydrophobicContact CE2-CD2 4.31Å; Y118-F331 AromaticContact CE2-CE2 3.43Å; Y118-F331 HydrophobicContact CE2-CE2 3.43Å; Y118-F331 VanDerWaalsContact CE2-CE2 3.43Å; Y118-F331 AromaticContact CE2-CZ 3.71Å; Y118-F331 HydrophobicContact CE2-CZ 3.71Å; Y118-F331 HydrophobicContact CG-CD2 4.14Å; Y118-F331 HydrophobicContact CG-CE2 4.06Å; Y121-F331 HydrophobicContact CD1-CE1 4.08Å; Y121-F331 AromaticContact CD1-CZ 3.83Å; Y121-F331 HydrophobicContact CD1-CZ 3.83Å; Y121-F331 HydrophobicContact CE1-CZ 4.19Å; Y121-F331 HydrophobicContact CG-CE1 4.03Å; Y121-F331 HydrophobicContact CG-CZ 4.26Å; K329-F331 PolarHBondContact O-N 3.13Å; K329-F331 VanDerWaalsContact O-N 3.09Å; F331-R333 HydrophobicContact CD1-CG 4.04Å; F331-R333 HydrophobicContact CE1-CG 3.75Å; F331-R333 PolarHBondContact O-N 3.42Å
332	C	50.2	Low	48.8	Very low	70 Å²	70	108 Å²	108	47%	0.473	55%	0.553	S	S	.	*			trans	-92.4	99.9	-178.8	-158.6	0	0	0	0	109.8	T330 S334 V335	T330-C332 PolarHBondContact O-N 3.09Å; C332-S334 PolarHBondContact O-N 3.05Å; C332-S334 PolarHBondContact SG-OG 3.17Å; C332-V335 HydrophobicContact CB-CG2 4.14Å
333	R	53.3	Low	46.7	Very low	56 Å²	56	106 Å²	106	21%	0.211	55%	0.548	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.9	178.1	-62.3	-177.6	-168.7	175.9	10.5	113	E117 S153 P196 F331 V335 I336	E117-R333 IonicContact OE1-NE 2.78Å; E117-R333 IonicContact OE1-NH2 2.81Å; S153-R333 PolarHBondContact O-NH1 2.8Å; P196-R333 PolarHBondContact O-NH2 3.01Å; F331-R333 HydrophobicContact CD1-CG 4.04Å; F331-R333 HydrophobicContact CE1-CG 3.75Å; F331-R333 PolarHBondContact O-N 3.42Å; R333-V335 VanDerWaalsContact C-N 3.29Å; R333-V335 PolarHBondContact O-N 3.17Å; R333-I336 PolarHBondContact O-N 3.15Å
334	S	42.6	Very low	44.4	Very low	59 Å²	59	104.7 Å²	104.7	41%	0.413	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10	-165.2	48.1	0	0	0	0	114.8	C332 I336 F337 K338	C332-S334 PolarHBondContact O-N 3.05Å; C332-S334 PolarHBondContact SG-OG 3.17Å; S334-I336 VanDerWaalsContact C-N 3.29Å; S334-I336 PolarHBondContact O-N 3.13Å; S334-F337 PolarHBondContact O-N 3.27Å; S334-K338 PolarHBondContact O-N 3.43Å
335	V	37.9	Very low	42.7	Very low	91 Å²	91	103.1 Å²	103.1	55%	0.552	55%	0.545	S	S	*	.	H	α-helix	trans	-72.4	-24.2	177.2	-174.6	0	0	0	0	111.8	C332 R333	C332-V335 HydrophobicContact CB-CG2 4.14Å; R333-V335 VanDerWaalsContact C-N 3.29Å; R333-V335 PolarHBondContact O-N 3.17Å
336	I	34.5	Very low	42	Very low	91 Å²	91	106.4 Å²	106.4	47%	0.467	55%	0.546	S	S	.	.	H	α-helix	trans	-76.8	-26.3	177.1	-65.1	177.4	0	0	0	112	R333 S334 F340	R333-I336 PolarHBondContact O-N 3.15Å; S334-I336 VanDerWaalsContact C-N 3.29Å; S334-I336 PolarHBondContact O-N 3.13Å; I336-F340 WeakPolarHBondContact O-CD2 3.4Å
337	F	37.9	Very low	41.1	Very low	85 Å²	85	101.4 Å²	101.4	37%	0.373	53%	0.528	S	S	.	.	H	α-helix	trans	-104.3	-34	-177.3	-77.7	-78.5	0	0	0	115.2	S334 V339 F340 L341	S334-F337 PolarHBondContact O-N 3.27Å; F337-V339 PolarHBondContact O-N 3.32Å; F337-F340 PolarHBondContact O-N 3.22Å; F337-L341 HydrophobicContact CB-CD1 4.43Å; F337-L341 HydrophobicContact CD1-CD1 4Å; F337-L341 PolarHBondContact O-N 3.49Å; F337-L341 VanDerWaalsContact O-N 3.12Å
338	K	32.9	Very low	40.5	Very low	172 Å²	172	99.4 Å²	99.4	75%	0.748	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-24.6	176.9	-79	-167.3	172.4	-176.9	0	113.2	S334	S334-K338 PolarHBondContact O-N 3.43Å
339	V	34.9	Very low	40.1	Very low	84 Å²	84	102 Å²	102	51%	0.509	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-30	178.6	-174.6	0	0	0	0	112.2	F337	F337-V339 PolarHBondContact O-N 3.32Å
340	F	30.6	Very low	39.5	Very low	135 Å²	135	97.8 Å²	97.8	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-97.4	-23.4	-171.7	-83	-84.8	0	0	0	115.3	I336 F337 F344	I336-F340 WeakPolarHBondContact O-CD2 3.4Å; F337-F340 PolarHBondContact O-N 3.22Å; F340-F344 PolarHBondContact O-N 2.8Å
341	L	31.3	Very low	38.9	Very low	89 Å²	89	95.7 Å²	95.7	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-41.5	175.8	-111.3	109.4	0	0	0	113.9	F337 I343 F344 V345	F337-L341 HydrophobicContact CB-CD1 4.43Å; F337-L341 HydrophobicContact CD1-CD1 4Å; F337-L341 PolarHBondContact O-N 3.49Å; F337-L341 VanDerWaalsContact O-N 3.12Å; L341-I343 VanDerWaalsContact C-N 3.3Å; L341-I343 PolarHBondContact O-N 3.13Å; L341-F344 PolarHBondContact O-N 3.38Å; L341-V345 VanDerWaalsContact O-CG2 3.32Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 2.96Å
342	P	34.4	Very low	38	Very low	72 Å²	72	100.2 Å²	100.2	47%	0.468	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-38.5	-179.9	-21.4	32.2	0	0	0	112.4	F344 V345 E346	P342-F344 VanDerWaalsContact C-N 3.32Å; P342-F344 PolarHBondContact O-N 3.44Å; P342-V345 PolarHBondContact O-N 3.37Å; P342-E346 PolarHBondContact O-N 2.96Å
343	I	35.8	Very low	37.4	Very low	105 Å²	105	101.7 Å²	101.7	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-34.8	-179.4	-56.2	174.3	0	0	0	110.7	L341 Y347	L341-I343 VanDerWaalsContact C-N 3.3Å; L341-I343 PolarHBondContact O-N 3.13Å; I343-Y347 PolarHBondContact O-N 2.84Å
344	F	31.9	Very low	36.6	Very low	143 Å²	143	107.4 Å²	107.4	63%	0.627	55%	0.549	S	S	*	.	H	α-helix	trans	-78.6	-34.2	178.9	-138.6	-94.4	0	0	0	112.8	F340 L341 P342 Y347 I348	F340-F344 PolarHBondContact O-N 2.8Å; L341-F344 PolarHBondContact O-N 3.38Å; P342-F344 VanDerWaalsContact C-N 3.32Å; P342-F344 PolarHBondContact O-N 3.44Å; F344-Y347 PolarHBondContact O-N 2.94Å; F344-I348 HydrophobicContact CD1-CG1 4.37Å; F344-I348 WeakPolarHBondContact O-CG1 3.48Å; F344-I348 PolarHBondContact O-N 3.36Å
345	V	38.2	Very low	36.1	Very low	70 Å²	70	110.4 Å²	110.4	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-68.5	-39.9	173.5	175.6	0	0	0	0	110.6	L341 P342 Y347 I348 M349	L341-V345 VanDerWaalsContact O-CG2 3.32Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 2.96Å; P342-V345 PolarHBondContact O-N 3.37Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.28Å; V345-I348 PolarHBondContact O-N 3.12Å; V345-M349 HydrophobicContact CG1-CE 4.3Å; V345-M349 HydrophobicContact CG1-CG 3.97Å; V345-M349 VanDerWaalsContact O-CB 3.28Å; V345-M349 WeakPolarHBondContact O-CB 3.17Å; V345-M349 WeakPolarHBondContact O-CG 3.4Å; V345-M349 PolarHBondContact O-N 3.46Å
346	E	41	Very low	35.8	Very low	147 Å²	147	112.1 Å²	112.1	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-62	-37.7	172.6	-82.2	-174.9	171.1	0	0	112.1	P342 M349 A350	P342-E346 PolarHBondContact O-N 2.96Å; E346-M349 PolarHBondContact O-N 3.36Å; E346-A350 WeakPolarHBondContact O-CB 3.35Å; E346-A350 PolarHBondContact O-N 2.89Å
347	Y	35.5	Very low	35.5	Very low	151 Å²	151	113.1 Å²	113.1	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-66.4	-42.6	176.9	-169	-101.7	0	0	0	112.7	I343 F344 V345 L351	I343-Y347 PolarHBondContact O-N 2.84Å; F344-Y347 PolarHBondContact O-N 2.94Å; V345-Y347 VanDerWaalsContact C-N 3.3Å; V345-Y347 PolarHBondContact O-N 3.28Å; Y347-L351 HydrophobicContact CE1-CD1 4.49Å; Y347-L351 PolarHBondContact O-N 2.99Å
348	I	38.3	Very low	35.1	Very low	73 Å²	73	114.1 Å²	114.1	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-69.1	-41.4	176.1	-67.1	-78.6	0	0	0	110.8	F344 V345 A350 L351 F352	F344-I348 HydrophobicContact CD1-CG1 4.37Å; F344-I348 WeakPolarHBondContact O-CG1 3.48Å; F344-I348 PolarHBondContact O-N 3.36Å; V345-I348 PolarHBondContact O-N 3.12Å; I348-A350 VanDerWaalsContact C-N 3.34Å; I348-A350 PolarHBondContact O-N 3.36Å; I348-L351 WeakPolarHBondContact O-CB 3.46Å; I348-L351 PolarHBondContact O-N 2.85Å; I348-L351 VanDerWaalsContact O-N 3.14Å; I348-F352 HydrophobicContact CG2-CD2 3.8Å; I348-F352 HydrophobicContact CG2-CE2 3.95Å; I348-F352 WeakPolarHBondContact O-CD2 3.35Å; I348-F352 PolarHBondContact O-N 2.96Å
349	M	41.7	Very low	34.8	Very low	125 Å²	125	112.4 Å²	112.4	62%	0.616	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-35.4	177.8	-69.2	-66.6	168.4	0	0	111.8	V345 E346 L351 F352 S353	V345-M349 HydrophobicContact CG1-CE 4.3Å; V345-M349 HydrophobicContact CG1-CG 3.97Å; V345-M349 VanDerWaalsContact O-CB 3.28Å; V345-M349 WeakPolarHBondContact O-CB 3.17Å; V345-M349 WeakPolarHBondContact O-CG 3.4Å; V345-M349 PolarHBondContact O-N 3.46Å; E346-M349 PolarHBondContact O-N 3.36Å; M349-L351 VanDerWaalsContact C-N 3.34Å; M349-F352 PolarHBondContact O-N 3.38Å; M349-S353 PolarHBondContact O-N 2.95Å
350	A	41.8	Very low	34.5	Very low	60 Å²	60	114 Å²	114	50%	0.496	62%	0.622	S	S	.	*	H	α-helix	trans	-63.5	-40.4	170.6	0	0	0	0	0	111.4	E346 I348 F352 S353	E346-A350 WeakPolarHBondContact O-CB 3.35Å; E346-A350 PolarHBondContact O-N 2.89Å; I348-A350 VanDerWaalsContact C-N 3.34Å; I348-A350 PolarHBondContact O-N 3.36Å; A350-F352 VanDerWaalsContact C-N 3.35Å; A350-F352 PolarHBondContact O-N 3.5Å; A350-S353 PolarHBondContact O-N 2.96Å
351	L	36.4	Very low	34.3	Very low	83 Å²	83	115 Å²	115	44%	0.435	63%	0.633	S	S	.	*	H	α-helix	trans	-66.1	-36.2	177.1	-135.7	83	0	0	0	112.6	Y347 I348 M349 S353 E354	Y347-L351 HydrophobicContact CE1-CD1 4.49Å; Y347-L351 PolarHBondContact O-N 2.99Å; I348-L351 WeakPolarHBondContact O-CB 3.46Å; I348-L351 PolarHBondContact O-N 2.85Å; I348-L351 VanDerWaalsContact O-N 3.14Å; M349-L351 VanDerWaalsContact C-N 3.34Å; L351-S353 VanDerWaalsContact C-N 3.34Å; L351-E354 PolarHBondContact O-N 2.86Å
352	F	38	Very low	34.1	Very low	144 Å²	144	115.1 Å²	115.1	63%	0.632	64%	0.641	S	S	*	*	H	α-helix	trans	-74.4	-21.7	177.9	-90.6	-82.6	0	0	0	113.5	I348 M349 A350 E354	I348-F352 HydrophobicContact CG2-CD2 3.8Å; I348-F352 HydrophobicContact CG2-CE2 3.95Å; I348-F352 WeakPolarHBondContact O-CD2 3.35Å; I348-F352 PolarHBondContact O-N 2.96Å; M349-F352 PolarHBondContact O-N 3.38Å; A350-F352 VanDerWaalsContact C-N 3.35Å; A350-F352 PolarHBondContact O-N 3.5Å; F352-E354 VanDerWaalsContact C-N 3.33Å
353	S	37	Very low	33.7	Very low	101 Å²	101	119.3 Å²	119.3	71%	0.706	66%	0.66	S	S	*	*	H	α-helix	trans	-75	-18.9	175.4	-176.3	0	0	0	0	113.8	M349 A350 L351	M349-S353 PolarHBondContact O-N 2.95Å; A350-S353 PolarHBondContact O-N 2.96Å; L351-S353 VanDerWaalsContact C-N 3.34Å
354	E	36.7	Very low	33.2	Very low	175 Å²	175	118 Å²	118	82%	0.818	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-3.2	177.9	-71.8	-169.4	165.3	0	0	113.4	L351 F352	L351-E354 PolarHBondContact O-N 2.86Å; F352-E354 VanDerWaalsContact C-N 3.33Å
355	L	32.3	Very low	33	Very low	123 Å²	123	118.6 Å²	118.6	64%	0.644	68%	0.682	S	S	*	*			trans	-113.3	27.1	-170.6	-92.8	151.1	0	0	0	114.5	P357	L355-P357 VanDerWaalsContact O-CD 3.3Å; L355-P357 WeakPolarHBondContact O-CD 3.25Å
356	V	29.8	Very low	32.3	Very low	126 Å²	126	119.4 Å²	119.4	76%	0.764	70%	0.696	S	S	*	*			trans	-109.8	89.7	167.3	-172.8	0	0	0	0	109.9
357	P	29.9	Very low	31.7	Very low	113 Å²	113	118.9 Å²	118.9	73%	0.734	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-77.3	128.8	172.3	-1.2	19.8	0	0	0	109.2	L355	L355-P357 VanDerWaalsContact O-CD 3.3Å; L355-P357 WeakPolarHBondContact O-CD 3.25Å
358	S	28.3	Very low	31.2	Very low	106 Å²	106	118.5 Å²	118.5	74%	0.741	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.3	144.1	169	27.7	0	0	0	0	111.2	S360	S358-S360 PolarHBondContact O-N 3.49Å
359	P	26.5	Very low	30.7	Very low	136 Å²	136	118.3 Å²	118.3	88%	0.883	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.4	-170.8	30.3	-32	0	0	0	110.4
360	S	28.6	Very low	30	Very low	118 Å²	118	122.3 Å²	122.3	83%	0.825	75%	0.745	S	S	*	*			trans	-121	134.3	164.8	58.9	0	0	0	0	110.6	S358	S358-S360 PolarHBondContact O-N 3.49Å
361	N	26.2	Very low	29.2	Very low	154 Å²	154	124.2 Å²	124.2	82%	0.824	76%	0.755	S	S	*	*			trans	-69.6	152.9	-173.2	-90.8	-30.5	0	0	0	113.4
362	S	27.1	Very low	28.9	Very low	92 Å²	92	128.2 Å²	128.2	64%	0.643	78%	0.777	S	S	*	*			trans	66.7	121.3	136.7	64.5	0	0	0	0	120.1
363	D	26.6	Very low	28.4	Very low	160 Å²	160	128.8 Å²	128.8	86%	0.856	79%	0.787	S	S	*	*			trans	90.5	112.3	133.1	-62.1	-17.9	0	0	0	120.2
364	G	25.4	Very low	28.2	Very low	77 Å²	77	129.2 Å²	129.2	79%	0.794	79%	0.787	S	S	*	*			trans	89.8	104.2	133.8	0	0	0	0	0	115.8
365	N	27.4	Very low	27.8	Very low	157 Å²	157	127 Å²	127	84%	0.84	79%	0.788	S	S	*	*				171	134.7	88.5	-154.4	8.3	0	0	0	109.5
366	A	24.7	Very low	27.5	Very low	86 Å²	86	126.5 Å²	126.5	71%	0.711	80%	0.795	S	S	*	*			trans	-78.2	132.9	175.8	0	0	0	0	0	110.4
367	V	28.2	Very low	27.2	Very low	137 Å²	137	126.7 Å²	126.7	83%	0.83	80%	0.8	S	S	*	*			trans	-134	115.6	158	179.6	0	0	0	0	108.9
368	V	25.2	Very low	27	Very low	142 Å²	142	132.3 Å²	132.3	86%	0.861	81%	0.807	S	S	*	*			trans	-79.4	117.6	175.6	172.1	0	0	0	0	108.7
369	G	27.2	Very low	26.7	Very low	69 Å²	69	139.2 Å²	139.2	71%	0.711	82%	0.817	S	S	*	*			trans	-112.9	133.4	174.3	0	0	0	0	0	111.2
370	K	26.4	Very low	26.6	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	82%	0.817	S	S	*	*			trans	-61.6	153.1	-165.8	-81.9	164.5	169.6	172.9	0	116.6
371	S	25.8	Very low	26.4	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	81%	0.808	S	S	*	*			trans	-67.5	137	169.7	57	0	0	0	0	114.2
372	D	29.6	Very low	26.2	Very low	167 Å²	167	139.8 Å²	139.8	89%	0.893	81%	0.81	S	S	*	*			trans	-115.5	124	156	-82.4	-37.4	0	0	0	109.4
373	N	27.4	Very low	26	Very low	156 Å²	156	145.6 Å²	145.6	83%	0.834	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.6	140.1	-176.9	-92.6	-34.5	0	0	0	112
374	P	32	Very low	25.7	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.3	155.1	178.7	31.7	-33.5	0	0	0	113.5
375	P	28.4	Very low	25.6	Very low	128 Å²	128	151.6 Å²	151.6	83%	0.831	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.2	140.3	-172.7	31.6	-34	0	0	0	113.3
376	S	26.1	Very low	25.4	Very low	112 Å²	112	149.8 Å²	149.8	78%	0.783	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-67	128.1	-178.3	64	0	0	0	0	113.4
377	C	25.1	Very low	25.4	Very low	131 Å²	131	150.9 Å²	150.9	89%	0.885	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.7	121.5	173.4	-158.6	0	0	0	0	110.7
378	R	24.5	Very low	25.2	Very low	230 Å²	230	150.7 Å²	150.7	87%	0.868	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-76.5	129.4	179.2	-73.5	-177.3	-179.6	-176.2	0.5	111
379	R	23.1	Very low	25.1	Very low	251 Å²	251	149.9 Å²	149.9	95%	0.947	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-57.4	130.2	172.8	-79.1	178.5	-172.4	165.6	3.1	111.5
380	M	22.8	Very low	25.1	Very low	180 Å²	180	155 Å²	155	89%	0.887	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.9	143.9	167	-75.1	-123.3	-179.8	0	0	111.1
381	P	25.5	Very low	25	Very low	98 Å²	98	148.5 Å²	148.5	64%	0.636	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.7	142.6	178.5	13.5	-1.2	0	0	0	113
382	T	22.3	Very low	25	Very low	142 Å²	142	149.3 Å²	149.3	87%	0.871	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.6	124.9	173.3	43.9	0	0	0	0	111.3
383	Y	21.6	Very low	25	Very low	215 Å²	215	149 Å²	149	84%	0.843	82%	0.82	S	S	*	*			trans	-106.4	127.8	169.8	-80.7	-88.5	0	0	0	110
384	E	21.2	Very low	24.9	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.2	148.1	176.2	-71.9	-179.7	154.6	0	0	112.5
385	L	22.7	Very low	24.8	Very low	169 Å²	169	145.5 Å²	145.5	89%	0.885	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.8	133.4	-177.4	-87.7	113.9	0	0	0	112.6
386	P	24	Very low	24.8	Very low	118 Å²	118	146 Å²	146	77%	0.766	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79.4	136.4	167.2	1.1	15.3	0	0	0	111.3
387	S	24.1	Very low	24.7	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-68.8	143.8	176.4	42.9	0	0	0	0	112.9	V389	S387-V389 PolarHBondContact O-N 2.97Å
388	V	24.2	Very low	24.9	Very low	134 Å²	134	143.9 Å²	143.9	81%	0.812	82%	0.824	S	S	*	*			trans	-76.2	109.3	-179.8	175.2	0	0	0	0	109
389	V	22.8	Very low	24.9	Very low	125 Å²	125	142 Å²	142	76%	0.758	83%	0.825	S	S	*	*			trans	-86.9	117.9	173.7	-179.8	0	0	0	0	109.1	S387 G391	S387-V389 PolarHBondContact O-N 2.97Å; V389-G391 PolarHBondContact O-N 3.27Å
390	H	27	Very low	24.9	Very low	177 Å²	177	135.6 Å²	135.6	82%	0.819	82%	0.819	S	S	*	*			trans	-64	108.1	166.4	-84.5	-78.9	0	0	0	109.3	S392	H390-S392 PolarHBondContact O-N 3.31Å
391	G	25.1	Very low	25.2	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	82%	0.816	S	S	*	*			trans	-72.1	113.7	171.4	0	0	0	0	0	110	V389	V389-G391 PolarHBondContact O-N 3.27Å
392	S	25.4	Very low	25.1	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	83%	0.829	S	S	*	*			trans	-72.4	133.8	170.2	36.7	0	0	0	0	110.8	H390 G394	H390-S392 PolarHBondContact O-N 3.31Å; S392-G394 PolarHBondContact O-N 3.11Å
393	D	30.3	Very low	25.4	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	83%	0.828	S	S	*	*			trans	-67.8	121	175.7	-73.7	-46	0	0	0	110.8	S395	D393-S395 PolarHBondContact O-N 3.49Å
394	G	25	Very low	25.5	Very low	84 Å²	84	133 Å²	133	87%	0.866	82%	0.821	S	S	*	*			trans	-81.7	98.4	165.6	0	0	0	0	0	109.4	S392	S392-G394 PolarHBondContact O-N 3.11Å
395	S	30.5	Very low	25.8	Very low	111 Å²	111	132 Å²	132	78%	0.776	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-102.8	123.5	166.7	55.7	0	0	0	0	109.8	D393	D393-S395 PolarHBondContact O-N 3.49Å
396	T	27.5	Very low	25.9	Very low	139 Å²	139	130.3 Å²	130.3	85%	0.853	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.7	140.2	-179.2	40.8	0	0	0	0	112.6
397	S	24.4	Very low	26	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-50.3	128.3	173.2	56.3	0	0	0	0	114.5
398	G	28	Very low	26.2	Very low	78 Å²	78	132.9 Å²	132.9	80%	0.804	82%	0.82	S	S	*	*			trans	-140.3	118.7	161.9	0	0	0	0	0	108.5
399	Q	24.5	Very low	26.3	Very low	191 Å²	191	132.3 Å²	132.3	89%	0.893	82%	0.819	S	S	*	*			trans	-77.3	156.5	-167.8	-69.5	171.3	-31.2	0	0	114.1
400	S	23.8	Very low	26.6	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	82%	0.821	S	S	*	*			trans	74.6	105	143.8	-160.7	0	0	0	0	119
401	S	28.9	Very low	26.6	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	82%	0.824	S	S	*	*				-171.8	138	109.2	42.5	0	0	0	0	110.9
402	R	23.6	Very low	26.7	Very low	244 Å²	244	127 Å²	127	92%	0.921	83%	0.826	S	S	*	*			trans	-63.8	131.1	177.1	-79.8	164.6	155.1	161.5	-7.8	110.9
403	A	28.9	Very low	26.7	Very low	102 Å²	102	132.6 Å²	132.6	84%	0.843	83%	0.829	S	S	*	*			trans	-137.9	105.2	148.2	0	0	0	0	0	107.9
404	V	23.7	Very low	26.6	Very low	116 Å²	116	131 Å²	131	70%	0.703	83%	0.828	S	S	*	*			trans	-80.3	118.3	172.1	172.9	0	0	0	0	106.4
405	L	27.1	Very low	26.6	Very low	175 Å²	175	132.8 Å²	132.8	92%	0.916	82%	0.822	S	S	*	*			trans	-130.7	124	158.1	-150.6	82.1	0	0	0	108.9
406	N	25.8	Very low	26.3	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	82%	0.816	S	S	*	*			trans	-73.3	142	-171.5	-78.1	-30.7	0	0	0	112.9
407	S	25.5	Very low	26	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	82%	0.817	S	S	*	*			trans	39.7	111.7	137	66.3	0	0	0	0	120.2
408	L	27.4	Very low	26	Very low	176 Å²	176	138.1 Å²	138.1	92%	0.921	81%	0.81	S	S	*	*			trans	-135.1	116.5	141.9	-103.5	155.7	0	0	0	108.2
409	P	26.8	Very low	25.8	Very low	122 Å²	122	142.3 Å²	142.3	79%	0.792	81%	0.814	S	S	*	*			trans	-94.8	159.1	-178	36.4	-32.2	0	0	0	112.1
410	G	29	Very low	25.9	Very low	78 Å²	78	138 Å²	138	80%	0.804	81%	0.811	S	S	*	*			trans	129.5	72.7	157.3	0	0	0	0	0	115.3	G412	G410-G412 PolarHBondContact O-N 2.91Å; G410-G412 VanDerWaalsContact O-N 3.15Å
411	A	28.2	Very low	25.8	Very low	107 Å²	107	139.8 Å²	139.8	88%	0.884	81%	0.811	S	S	*	*			trans	-68.7	100.9	160.8	0	0	0	0	0	109.3
412	G	26.3	Very low	25.6	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.6	124	167.5	0	0	0	0	0	110.2	G410	G410-G412 PolarHBondContact O-N 2.91Å; G410-G412 VanDerWaalsContact O-N 3.15Å
413	R	26.2	Very low	25.5	Very low	235 Å²	235	139.5 Å²	139.5	89%	0.887	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.6	151.5	179.3	-86	179.4	172	-176	-2.7	112.1
414	P	26.8	Very low	25.3	Very low	127 Å²	127	142.8 Å²	142.8	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73	138.3	178.5	-0.6	17.3	0	0	0	111.2
415	V	24.8	Very low	25.2	Very low	121 Å²	121	144.9 Å²	144.9	73%	0.733	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.6	122.5	176.7	-177	0	0	0	0	109	F417	V415-F417 PolarHBondContact O-N 2.99Å
416	D	24.5	Very low	25.1	Very low	125 Å²	125	142.3 Å²	142.3	67%	0.668	80%	0.798	S	S	*	*			trans	-76.4	110.9	178.3	-164.2	0.7	0	0	0	109	K418	D416-K418 PolarHBondContact O-N 3.19Å
417	F	22.1	Very low	25.1	Very low	198 Å²	198	142.2 Å²	142.2	87%	0.868	80%	0.803	S	S	*	*			trans	-89.1	86.2	173.3	-88.3	-92.5	0	0	0	108.8	V415	V415-F417 PolarHBondContact O-N 2.99Å
418	K	23.8	Very low	25.1	Very low	159 Å²	159	140.5 Å²	140.5	69%	0.691	80%	0.801	S	S	*	*			trans	-114.4	143.3	157.3	-69.6	-177.8	-179.3	175.7	0	107.2	D416	D416-K418 PolarHBondContact O-N 3.19Å
419	D	24.8	Very low	25	Very low	166 Å²	166	137 Å²	137	89%	0.888	80%	0.798	S	S	*	*			trans	95	68.7	176.6	-48.8	-24.6	0	0	0	116.4
420	A	25.4	Very low	24.9	Very low	101 Å²	101	136.7 Å²	136.7	84%	0.835	80%	0.798	S	S	*	*			trans	-151.7	54.8	147.4	0	0	0	0	0	110.6
421	L	22.2	Very low	24.7	Very low	152 Å²	152	139.9 Å²	139.9	80%	0.796	80%	0.803	S	S	*	*			trans	-120.3	73	171.9	-100.4	154.3	0	0	0	107.9	Y423	L421-Y423 HydrophobicContact CD2-CD2 3.96Å; L421-Y423 HydrophobicContact CD2-CE2 4.23Å
422	I	23.8	Very low	24.7	Very low	158 Å²	158	140 Å²	140	81%	0.81	80%	0.797	S	S	*	*			trans	-98.9	89	167.5	-60.9	179.1	0	0	0	106.9	Q424	I422-Q424 PolarHBondContact O-N 3.45Å
423	Y	22	Very low	24.7	Very low	198 Å²	198	142.9 Å²	142.9	78%	0.776	80%	0.799	S	S	*	*			trans	-72.6	103.9	168.1	-117.6	-98.5	0	0	0	108	L421	L421-Y423 HydrophobicContact CD2-CD2 3.96Å; L421-Y423 HydrophobicContact CD2-CE2 4.23Å
424	Q	24.2	Very low	24.7	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	80%	0.795	S	S	*	*			trans	-98.9	102.6	169.7	-125.8	173.5	-11.3	0	0	109.1	I422 C426	I422-Q424 PolarHBondContact O-N 3.45Å; Q424-C426 PolarHBondContact O-N 2.91Å; Q424-C426 VanDerWaalsContact O-N 3.12Å
425	H	23.5	Very low	24.7	Very low	160 Å²	160	134.9 Å²	134.9	74%	0.741	79%	0.789	S	S	*	*			trans	-63.3	102	169.3	-111.4	-88	0	0	0	109.3
426	C	24.2	Very low	24.8	Very low	120 Å²	120	134.8 Å²	134.8	81%	0.811	79%	0.791	S	S	*	*			trans	-101.2	95.7	161.1	-70.5	0	0	0	0	108.5	Q424 G428	Q424-C426 PolarHBondContact O-N 2.91Å; Q424-C426 VanDerWaalsContact O-N 3.12Å; C426-G428 PolarHBondContact O-N 3.2Å
427	T	24.9	Very low	24.8	Very low	132 Å²	132	135 Å²	135	81%	0.81	80%	0.796	S	S	*	*			trans	-68.6	99.1	167.7	48.1	0	0	0	0	109.2
428	G	26.2	Very low	24.9	Very low	68 Å²	68	132 Å²	132	70%	0.701	79%	0.794	S	S	*	*			trans	-118.5	84.5	171.5	0	0	0	0	0	110.2	C426 S430	C426-G428 PolarHBondContact O-N 3.2Å; G428-S430 PolarHBondContact O-N 2.6Å
429	A	24.4	Very low	24.9	Very low	103 Å²	103	129.7 Å²	129.7	85%	0.851	80%	0.796	S	S	*	*			trans	-68.1	115.3	167.9	0	0	0	0	0	108.7
430	S	26.5	Very low	24.7	Very low	115 Å²	115	133.2 Å²	133.2	80%	0.804	80%	0.797	S	S	*	*			trans	-135.1	91.1	168.7	-61	0	0	0	0	108.5	G428 S432	G428-S430 PolarHBondContact O-N 2.6Å; S430-S432 PolarHBondContact O-N 2.85Å
431	T	24.1	Very low	24.8	Very low	146 Å²	146	134.1 Å²	134.1	90%	0.896	80%	0.797	S	S	*	*			trans	-72.6	110.6	164.8	45.1	0	0	0	0	108.6
432	S	28	Very low	24.8	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	80%	0.798	S	S	*	*			trans	-136.9	96.8	158.6	74.4	0	0	0	0	110	S430 A434	S430-S432 PolarHBondContact O-N 2.85Å; S432-A434 PolarHBondContact O-N 2.62Å; S432-A434 VanDerWaalsContact O-N 3.14Å
433	T	26.7	Very low	25	Very low	137 Å²	137	128.5 Å²	128.5	84%	0.84	80%	0.796	S	S	*	*			trans	-67.3	96.9	163.8	47.2	0	0	0	0	108.8	S435	T433-S435 PolarHBondContact O-N 2.78Å
434	A	26.1	Very low	25	Very low	97 Å²	97	130.4 Å²	130.4	80%	0.802	80%	0.802	S	S	*	*			trans	-89.9	86.4	167.3	0	0	0	0	0	108.5	S432	S432-A434 PolarHBondContact O-N 2.62Å; S432-A434 VanDerWaalsContact O-N 3.14Å
435	S	25.6	Very low	25.1	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	81%	0.808	S	S	*	*			trans	-72.7	136.8	168	-65	0	0	0	0	109.7	T433 V437	T433-S435 PolarHBondContact O-N 2.78Å; S435-V437 PolarHBondContact O-N 3.29Å
436	P	28.3	Very low	25.2	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	81%	0.808	S	S	*	*			trans	-70.4	120.6	-176.4	26.6	-31.7	0	0	0	110.9	V438	P436-V438 PolarHBondContact O-N 3.4Å
437	V	24.8	Very low	25.2	Very low	128 Å²	128	127.6 Å²	127.6	78%	0.776	81%	0.811	S	S	*	*			trans	-72.6	105.7	173.2	175.5	0	0	0	0	108.7	S435 C439	S435-V437 PolarHBondContact O-N 3.29Å; V437-C439 PolarHBondContact O-N 2.56Å
438	V	22.9	Very low	25.3	Very low	136 Å²	136	130.5 Å²	130.5	82%	0.824	82%	0.818	S	S	*	*			trans	-76.3	95.6	168.1	177.5	0	0	0	0	107.9	P436	P436-V438 PolarHBondContact O-N 3.4Å
439	C	24.6	Very low	25.1	Very low	110 Å²	110	135.8 Å²	135.8	74%	0.743	83%	0.829	S	S	*	*			trans	-76	130.8	171.1	-87.4	0	0	0	0	111	V437	V437-C439 PolarHBondContact O-N 2.56Å
440	R	20.7	Very low	25.3	Very low	241 Å²	241	135.2 Å²	135.2	91%	0.909	82%	0.824	S	S	*	*			trans	-62.7	141.7	175.8	-64.4	168.1	170.5	177.2	-4	111.8
441	S	26.8	Very low	25.3	Very low	119 Å²	119	135.5 Å²	135.5	83%	0.832	83%	0.826	S	S	*	*			trans	-149.4	88.8	143.2	62.3	0	0	0	0	110.3	G443	S441-G443 PolarHBondContact O-N 2.95Å
442	S	23.4	Very low	25.5	Very low	118 Å²	118	134.5 Å²	134.5	83%	0.825	82%	0.822	S	S	*	*			trans	-75.1	93	164.5	46	0	0	0	0	109.3
443	G	28.2	Very low	25.5	Very low	74 Å²	74	133 Å²	133	76%	0.763	82%	0.824	S	S	*	*			trans	-101.9	88.9	169.8	0	0	0	0	0	110.4	S441 Y445	S441-G443 PolarHBondContact O-N 2.95Å; G443-Y445 PolarHBondContact O-N 3.27Å
444	R	22.1	Very low	25.3	Very low	239 Å²	239	136 Å²	136	90%	0.902	83%	0.828	S	S	*	*			trans	-71.8	117.6	164.1	-78.6	177.3	174.9	179.5	-2.2	108
445	Y	25.3	Very low	25.3	Very low	235 Å²	235	137 Å²	137	92%	0.922	83%	0.829	S	S	*	*			trans	-123.9	123.7	149.6	-97.1	-84.4	0	0	0	108.5	G443	G443-Y445 PolarHBondContact O-N 3.27Å
446	G	26	Very low	25.2	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	84%	0.839	S	S	*	*			trans	-71.1	157.8	-173.1	0	0	0	0	0	112.7
447	G	22.9	Very low	25.2	Very low	84 Å²	84	137.4 Å²	137.4	87%	0.866	84%	0.841	S	S	*	*			trans	-65	146	172.2	0	0	0	0	0	112.5
448	M	27.1	Very low	25.1	Very low	192 Å²	192	136.6 Å²	136.6	95%	0.946	85%	0.848	S	S	*	*			trans	-135.8	102.5	154.1	-137.7	171.4	178	0	0	106.9
449	L	23.2	Very low	25.3	Very low	179 Å²	179	133.6 Å²	133.6	94%	0.937	84%	0.844	S	S	*	*			trans	-78.1	119.3	164.4	-81	153.2	0	0	0	107.5
450	A	28.5	Very low	25.3	Very low	91 Å²	91	135.9 Å²	135.9	75%	0.752	85%	0.849	S	S	*	*			trans	-158.8	98.9	157.4	0	0	0	0	0	110.4
451	S	26.5	Very low	25.4	Very low	122 Å²	122	127.6 Å²	127.6	85%	0.853	84%	0.839	S	S	*	*			trans	26.5	152.8	139	-57.7	0	0	0	0	123
452	P	26.9	Very low	25.1	Very low	124 Å²	124	127.8 Å²	127.8	81%	0.805	84%	0.839	S	S	*	*			trans	-96.4	131.2	-152	30.3	-18.2	0	0	0	113.8
453	G	28.4	Very low	25.1	Very low	77 Å²	77	127 Å²	127	79%	0.794	83%	0.833	S	S	*	*			trans	-91.3	115.9	169.3	0	0	0	0	0	111.4	S455	G453-S455 PolarHBondContact O-N 3.19Å
454	Q	23.5	Very low	24.8	Very low	200 Å²	200	128.5 Å²	128.5	94%	0.935	84%	0.838	S	S	*	*			trans	-62	121.8	167.5	-64.1	172.7	9.1	0	0	109.7
455	S	26.1	Very low	24.8	Very low	117 Å²	117	121.2 Å²	121.2	82%	0.818	82%	0.824	S	S	*	*			trans	-148.9	118.9	150	55.1	0	0	0	0	109.7	G453	G453-S455 PolarHBondContact O-N 3.19Å
456	S	23.1	Very low	24.8	Very low	127 Å²	127	116.5 Å²	116.5	89%	0.888	82%	0.82	S	S	*	*			trans	-68.7	120.1	174.1	47.3	0	0	0	0	110.8
457	A	27.5	Very low	24.6	Very low	99 Å²	99	117.1 Å²	117.1	82%	0.818	81%	0.813	S	S	*	*			trans	-141.2	112.2	156.5	0	0	0	0	0	108.5	G459	A457-G459 PolarHBondContact O-N 2.9Å
458	A	24.2	Very low	24.7	Very low	112 Å²	112	121.3 Å²	121.3	93%	0.926	82%	0.815	S	S	*	*			trans	-64.4	118.6	177.3	0	0	0	0	0	110.5
459	G	26.1	Very low	24.6	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	81%	0.81	S	S	*	*			trans	-131	113	168	0	0	0	0	0	108.3	A457 G461	A457-G459 PolarHBondContact O-N 2.9Å; G459-G461 PolarHBondContact O-N 2.98Å
460	N	24.4	Very low	24.7	Very low	158 Å²	158	121.2 Å²	121.2	85%	0.845	81%	0.81	S	S	*	*			trans	-49.4	101.4	-173.6	-72.7	-14.8	0	0	0	113.3	C462	N460-C462 PolarHBondContact O-N 3.21Å
461	G	22.2	Very low	24.8	Very low	67 Å²	67	119.5 Å²	119.5	69%	0.691	80%	0.801	S	S	*	*			trans	-79.8	97.6	163.6	0	0	0	0	0	109.4	G459 S463	G459-G461 PolarHBondContact O-N 2.98Å; G461-S463 VanDerWaalsContact C-N 3.32Å; G461-S463 PolarHBondContact O-N 3.46Å
462	C	21.2	Very low	25.3	Very low	124 Å²	124	119.6 Å²	119.6	84%	0.838	79%	0.786	S	S	*	*			trans	-73.8	89.8	169.1	-61.6	0	0	0	0	108.7	N460 A464	N460-C462 PolarHBondContact O-N 3.21Å; C462-A464 PolarHBondContact O-N 2.96Å
463	S	22.9	Very low	25.6	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	79%	0.79	S	S	*	*			trans	-60.4	118.3	165	-53.1	0	0	0	0	108.6	G461 S465	G461-S463 VanDerWaalsContact C-N 3.32Å; G461-S463 PolarHBondContact O-N 3.46Å; S463-S465 PolarHBondContact O-N 3.27Å
464	A	23.6	Very low	26.1	Very low	106 Å²	106	122.2 Å²	122.2	88%	0.876	78%	0.784	S	S	*	*			trans	-68.7	77	171.2	0	0	0	0	0	109.3	C462	C462-A464 PolarHBondContact O-N 2.96Å
465	S	22	Very low	27.5	Very low	87 Å²	87	116.6 Å²	116.6	61%	0.608	77%	0.767	S	S	*	*			trans	-87.8	112.9	174.3	-57.6	0	0	0	0	108.9	S463 S467	S463-S465 PolarHBondContact O-N 3.27Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.27Å
466	T	23.6	Very low	28.5	Very low	136 Å²	136	114.2 Å²	114.2	83%	0.834	74%	0.742	S	S	*	*			trans	-61.1	83.3	167.9	21.9	0	0	0	0	110.4
467	S	22.2	Very low	29.5	Very low	86 Å²	86	111.9 Å²	111.9	60%	0.601	73%	0.73	S	S	*	*			trans	-155	53.3	176.7	59.8	0	0	0	0	114.4	S465	S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.27Å
468	L	24.5	Very low	30.2	Very low	172 Å²	172	110.7 Å²	110.7	90%	0.901	73%	0.728	S	S	*	*			trans	-149.4	66.2	162.8	-70	177.7	0	0	0	111
469	F	26.1	Very low	31.2	Very low	194 Å²	194	108.4 Å²	108.4	85%	0.851	70%	0.7	S	S	*	*			trans	-108.4	86.7	171.6	-84.9	-86.9	0	0	0	109.7
470	N	26.1	Very low	32.3	Very low	174 Å²	174	113 Å²	113	93%	0.93	71%	0.708	S	S	*	*			trans	-137.1	113.7	168.6	-144	18.1	0	0	0	108.7
471	G	30.6	Very low	34.2	Very low	55 Å²	55	107.2 Å²	107.2	57%	0.567	68%	0.678	S	S	*	*	S	Bend	trans	109.3	56.9	167.2	0	0	0	0	0	118.3	R538	G471-R538 PolarHBondContact O-NH1 3.44Å; G471-R538 VanDerWaalsContact O-NH1 3.1Å
472	F	35.7	Very low	37	Very low	125 Å²	125	105.6 Å²	105.6	55%	0.548	65%	0.653	S	S	.	*			trans	-164.2	76.8	145.9	-131.8	-109.8	0	0	0	110.3	R538	F472-R538 HydrophobicContact CE1-CB 4.27Å; F472-R538 HydrophobicContact CE2-CB 4.02Å; F472-R538 HydrophobicContact CE2-CG 4.22Å; F472-R538 HydrophobicContact CZ-CB 3.73Å; F472-R538 HydrophobicContact CZ-CG 4.33Å
473	H	33.3	Very low	39.9	Very low	191 Å²	191	101.4 Å²	101.4	88%	0.884	62%	0.624	S	S	*	*			trans	-89.3	120.8	164.6	-95.1	-78.2	0	0	0	107.6
474	G	40	Very low	43.1	Very low	65 Å²	65	99.4 Å²	99.4	67%	0.67	61%	0.61	S	S	*	*	S	Bend	trans	175.6	-79.1	175.8	0	0	0	0	0	114.4
475	S	51.4	Low	46.4	Very low	82 Å²	82	94.4 Å²	94.4	57%	0.573	57%	0.568	S	S	*	*	S	Bend	trans	-108.1	-22	-160.6	1.5	0	0	0	0	116.4
476	F	48.8	Very low	49.7	Very low	67 Å²	67	97.2 Å²	97.2	29%	0.294	57%	0.565	S	S	.	*	S	Bend	trans	-121.9	7.8	-177.7	-58.4	-74.7	0	0	0	113.5	G478 D479 L482 L534 A535 E540	F476-G478 PolarHBondContact O-N 3.46Å; F476-D479 PolarHBondContact O-N 3.05Å; F476-L482 HydrophobicContact CB-CD1 4.05Å; F476-L482 HydrophobicContact CD1-CD1 3.72Å; F476-L482 HydrophobicContact CG-CD1 4.14Å; F476-L534 HydrophobicContact CE1-CB 4.5Å; F476-A535 HydrophobicContact CE2-CB 4.4Å; F476-E540 HydrophobicContact CZ-CG 4.24Å
477	A	42.4	Very low	53	Low	77 Å²	77	91.1 Å²	91.1	64%	0.636	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	96.8	-178	0	0	0	0	0	109.8
478	G	42.2	Very low	56.2	Low	74 Å²	74	94.9 Å²	94.9	76%	0.763	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.4	-10.4	177.3	0	0	0	0	0	114.9	F476	F476-G478 PolarHBondContact O-N 3.46Å
479	D	45.5	Very low	59.4	Low	64 Å²	64	88.1 Å²	88.1	34%	0.342	50%	0.495	S	S	.	.			trans	-102.1	84.5	-179.4	-155	-0	0	0	0	110.1	F476 T481 L482 R569	F476-D479 PolarHBondContact O-N 3.05Å; D479-T481 PolarHBondContact O-N 3.26Å; D479-T481 WeakPolarHBondContact OD1-CB 3.3Å; D479-T481 VanDerWaalsContact OD1-CG2 3.26Å; D479-T481 WeakPolarHBondContact OD1-CG2 3.45Å; D479-T481 PolarHBondContact OD1-OG1 3.19Å; D479-T481 PolarHBondContact OD2-OG1 2.91Å; D479-L482 HydrophobicContact CB-CD1 4.1Å; D479-L482 HydrophobicContact CB-CG 4.08Å; D479-L482 PolarHBondContact O-N 2.87Å; D479-R569 IonicContact OD2-NH2 2.7Å
480	D	50.1	Low	62.3	Low	170 Å²	170	81 Å²	81	91%	0.909	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-4.9	177.5	-80.4	-12	0	0	0	113.4
481	T	63.1	Low	65.1	Low	36 Å²	36	78.4 Å²	78.4	22%	0.221	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.8	178.9	71.6	0	0	0	0	114.5	D479 P570 I574	D479-T481 PolarHBondContact O-N 3.26Å; D479-T481 WeakPolarHBondContact OD1-CB 3.3Å; D479-T481 VanDerWaalsContact OD1-CG2 3.26Å; D479-T481 WeakPolarHBondContact OD1-CG2 3.45Å; D479-T481 PolarHBondContact OD1-OG1 3.19Å; D479-T481 PolarHBondContact OD2-OG1 2.91Å; T481-P570 WeakPolarHBondContact O-CD 3.42Å; T481-I574 HydrophobicContact CG2-CD1 3.53Å; T481-I574 HydrophobicContact CG2-CG2 4.3Å
482	L	81.9	Confident	67.7	Low	33 Å²	33	82.3 Å²	82.3	17%	0.173	47%	0.465	C	S	.	.			trans	-87.1	138	-172.2	-58	-176.8	0	0	0	111.5	F476 D479 L534 I567 R569	F476-L482 HydrophobicContact CB-CD1 4.05Å; F476-L482 HydrophobicContact CD1-CD1 3.72Å; F476-L482 HydrophobicContact CG-CD1 4.14Å; D479-L482 HydrophobicContact CB-CD1 4.1Å; D479-L482 HydrophobicContact CB-CG 4.08Å; D479-L482 PolarHBondContact O-N 2.87Å; L482-L534 HydrophobicContact CD1-CD1 4.02Å; L482-L534 HydrophobicContact CD2-CD1 3.42Å; L482-L534 VanDerWaalsContact CD2-CD1 3.42Å; L482-L534 HydrophobicContact CG-CD1 4.38Å; L482-I567 HydrophobicContact CB-CG2 4.1Å; L482-I567 HydrophobicContact CD1-CG2 4.03Å; L482-R569 HydrophobicContact CD2-CB 3.93Å; L482-R569 HydrophobicContact CD2-CG 4.47Å
483	V	82.4	Confident	70.1	Confident	36 Å²	36	78.1 Å²	78.1	22%	0.218	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.8	178.1	-179.5	0	0	0	0	109.4	I485 P525 V568 P570	V483-I485 HydrophobicContact CG1-CD1 4.37Å; V483-I485 HydrophobicContact CG1-CG1 3.88Å; V483-P525 HydrophobicContact CG1-CB 3.8Å; V483-P525 HydrophobicContact CG1-CG 3.69Å; V483-V568 HydrophobicContact CB-CG2 3.99Å; V483-V568 PolarHBondContact N-O 2.91Å; V483-V568 PolarHBondContact O-N 3.18Å; V483-P570 HydrophobicContact CB-CG 4.07Å; V483-P570 HydrophobicContact CG2-CG 3.36Å
484	S	90.8	Very high	72.7	Confident	57 Å²	57	76.4 Å²	76.4	40%	0.399	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114	174.6	-175.7	0	0	0	0	109.2	L565 L566	S484-L565 WeakPolarHBondContact OG-CD1 3.4Å; S484-L566 WeakPolarHBondContact CA-O 3.45Å
485	I	91.5	Very high	75.3	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.9	-178.2	-61.6	177.1	0	0	0	108.7	V483 M487 P525 L527 L565 L566 V568	V483-I485 HydrophobicContact CG1-CD1 4.37Å; V483-I485 HydrophobicContact CG1-CG1 3.88Å; I485-M487 HydrophobicContact CG2-CE 3.55Å; I485-P525 HydrophobicContact CG1-CB 4.32Å; I485-P525 WeakPolarHBondContact CG2-O 3.29Å; I485-L527 HydrophobicContact CD1-CB 4.12Å; I485-L527 HydrophobicContact CD1-CD1 3.59Å; I485-L527 HydrophobicContact CD1-CG 4.49Å; I485-L565 CarbonylContact O-C 3.57Å; I485-L565 WeakPolarHBondContact O-CA 3.48Å; I485-L566 HydrophobicContact CB-CB 4.4Å; I485-L566 PolarHBondContact N-O 2.9Å; I485-L566 PolarHBondContact O-N 3.29Å; I485-V568 HydrophobicContact CD1-CG2 3.72Å; I485-V568 HydrophobicContact CG1-CG2 4.32Å
486	R	91.7	Very high	77.3	Confident	146 Å²	146	70.6 Å²	70.6	55%	0.551	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.4	174.7	-66.3	-176.5	-172.6	-177.7	4.1	109.8	L564 L565	R486-L564 WeakPolarHBondContact CA-O 3.36Å; R486-L565 HydrophobicContact CG-CD1 3.6Å
487	M	92.5	Very high	79.4	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.039	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152.4	177.9	62.4	-178.8	79.1	0	0	112	I485 F495 F497 A520 C523 L527 L564 L566	I485-M487 HydrophobicContact CG2-CE 3.55Å; M487-F495 HydrophobicContact CG-CD1 3.65Å; M487-F495 HydrophobicContact CG-CE1 4.14Å; M487-F495 HydrophobicContact SD-CB 3.89Å; M487-F495 HydrophobicContact SD-CD1 3.82Å; M487-F495 HydrophobicContact SD-CG 4.19Å; M487-F497 HydrophobicContact SD-CD1 4.43Å; M487-F497 HydrophobicContact SD-CE1 4.17Å; M487-A520 HydrophobicContact CE-CB 4.09Å; M487-A520 HydrophobicContact SD-CB 3.97Å; M487-C523 HydrophobicContact CB-CB 3.98Å; M487-L527 HydrophobicContact CE-CB 4.14Å; M487-L527 HydrophobicContact CE-CD2 4.12Å; M487-L564 HydrophobicContact CG-CB 4.02Å; M487-L564 HydrophobicContact CG-CD2 4.1Å; M487-L564 HydrophobicContact CG-CG 4.42Å; M487-L564 PolarHBondContact N-O 3.26Å; M487-L564 PolarHBondContact O-N 3.14Å; M487-L564 HydrophobicContact SD-CD2 4.03Å; M487-L566 HydrophobicContact CE-CD1 4.22Å
488	R	90.7	Very high	81.8	Confident	165 Å²	165	69 Å²	69	62%	0.623	38%	0.375	S	S	*	.			trans	-105.4	148.2	171.3	-70.3	-179.1	-174	153.2	1.6	109.4	P519 E563	R488-P519 WeakPolarHBondContact O-CB 3.49Å; R488-P519 WeakPolarHBondContact O-CG 3.22Å; R488-E563 HydrophobicContact CG-CG 3.58Å; R488-E563 IonicContact CZ-OE1 2.71Å; R488-E563 IonicContact NE-OE1 3.95Å; R488-E563 PolarHBondContact NE-OE1 3.19Å; R488-E563 IonicContact NH2-OE1 2.65Å; R488-E563 PolarHBondContact NH2-OE1 3.04Å
489	P	90.8	Very high	84.1	Confident	31 Å²	31	66.3 Å²	66.3	20%	0.201	34%	0.344	C	S	.	.			trans	-70.4	161.3	177.9	30.4	-34.4	0	0	0	111.9	G493 R494 F495 K562	P489-G493 VanDerWaalsContact CB-C 3.49Å; P489-R494 CarbonylContact C-O 3.56Å; P489-R494 WeakPolarHBondContact CA-O 3.44Å; P489-F495 HydrophobicContact CB-CD1 4.18Å; P489-F495 HydrophobicContact CB-CE1 3.89Å; P489-F495 HydrophobicContact CB-CZ 4.06Å; P489-F495 HydrophobicContact CG-CE1 4.21Å; P489-F495 HydrophobicContact CG-CZ 4.26Å; P489-K562 WeakPolarHBondContact CD-O 3.37Å
490	D	88	Confident	85.9	Confident	44 Å²	44	66.9 Å²	66.9	24%	0.235	34%	0.343	C	S	.	.			trans	-68.8	-179.5	171.5	72.4	3.5	0	0	0	112	Q492 G493 R494 P519	D490-Q492 PolarHBondContact O-N 3.44Å; D490-Q492 VanDerWaalsContact O-N 3.07Å; D490-Q492 VanDerWaalsContact OD1-C 3.27Å; D490-Q492 VanDerWaalsContact OD1-CA 3.29Å; D490-Q492 WeakPolarHBondContact OD1-CA 3.27Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.48Å; D490-Q492 PolarHBondContact OD1-N 3.31Å; D490-G493 PolarHBondContact O-N 2.9Å; D490-G493 PolarHBondContact OD1-N 3.36Å; D490-R494 PolarHBondContact N-O 3.21Å; D490-R494 PolarHBondContact OD1-N 3.49Å; D490-R494 IonicContact OD1-NE 2.86Å; D490-R494 IonicContact OD2-CZ 3.82Å; D490-R494 IonicContact OD2-NE 3.69Å; D490-R494 PolarHBondContact OD2-NE 2.96Å; D490-R494 VanDerWaalsContact OD2-NE 3.17Å; D490-R494 IonicContact OD2-NH2 3.53Å; D490-R494 PolarHBondContact OD2-NH2 3.43Å; D490-P519 HydrophobicContact CB-CG 4.03Å
491	S	84.9	Confident	87.7	Confident	119 Å²	119	58.8 Å²	58.8	83%	0.832	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.2	177	59	0	0	0	0	114
492	Q	84.9	Confident	88.8	Confident	137 Å²	137	57.1 Å²	57.1	64%	0.64	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	5.3	176.9	-57.4	-59.4	-57.8	0	0	112.5	D490 R494	D490-Q492 PolarHBondContact O-N 3.44Å; D490-Q492 VanDerWaalsContact O-N 3.07Å; D490-Q492 VanDerWaalsContact OD1-C 3.27Å; D490-Q492 VanDerWaalsContact OD1-CA 3.29Å; D490-Q492 WeakPolarHBondContact OD1-CA 3.27Å; D490-Q492 WeakPolarHBondContact OD1-CB 3.48Å; D490-Q492 PolarHBondContact OD1-N 3.31Å; Q492-R494 VanDerWaalsContact C-N 3.34Å; Q492-R494 HydrophobicContact CB-CG 4.25Å
493	G	84.9	Confident	89	Confident	37 Å²	37	62.4 Å²	62.4	38%	0.381	31%	0.308	S	S	.	.	S	Bend	trans	76.4	18.8	-179.2	0	0	0	0	0	114	P489 D490	P489-G493 VanDerWaalsContact CB-C 3.49Å; D490-G493 PolarHBondContact O-N 2.9Å; D490-G493 PolarHBondContact OD1-N 3.36Å
494	R	89.4	Confident	89.5	Confident	155 Å²	155	65.1 Å²	65.1	59%	0.585	32%	0.322	S	S	*	.			trans	-108.2	143.2	-176.9	-54.6	175.3	-58.4	179.5	3.4	111.1	P489 D490 Q492	P489-R494 CarbonylContact C-O 3.56Å; P489-R494 WeakPolarHBondContact CA-O 3.44Å; D490-R494 PolarHBondContact N-O 3.21Å; D490-R494 PolarHBondContact OD1-N 3.49Å; D490-R494 IonicContact OD1-NE 2.86Å; D490-R494 IonicContact OD2-CZ 3.82Å; D490-R494 IonicContact OD2-NE 3.69Å; D490-R494 PolarHBondContact OD2-NE 2.96Å; D490-R494 VanDerWaalsContact OD2-NE 3.17Å; D490-R494 IonicContact OD2-NH2 3.53Å; D490-R494 PolarHBondContact OD2-NH2 3.43Å; Q492-R494 VanDerWaalsContact C-N 3.34Å; Q492-R494 HydrophobicContact CB-CG 4.25Å
495	F	93.9	Very high	89.3	Confident	12 Å²	12	67.1 Å²	67.1	5%	0.053	33%	0.325	C	S	.	.			trans	-90.1	-23.5	173.3	-61.7	-75.1	0	0	0	113	M487 P489 F497 S518 P519 A520 I553 C556 L564	M487-F495 HydrophobicContact CG-CD1 3.65Å; M487-F495 HydrophobicContact CG-CE1 4.14Å; M487-F495 HydrophobicContact SD-CB 3.89Å; M487-F495 HydrophobicContact SD-CD1 3.82Å; M487-F495 HydrophobicContact SD-CG 4.19Å; P489-F495 HydrophobicContact CB-CD1 4.18Å; P489-F495 HydrophobicContact CB-CE1 3.89Å; P489-F495 HydrophobicContact CB-CZ 4.06Å; P489-F495 HydrophobicContact CG-CE1 4.21Å; P489-F495 HydrophobicContact CG-CZ 4.26Å; F495-F497 HydrophobicContact CB-CD1 3.7Å; F495-F497 HydrophobicContact CB-CE1 3.54Å; F495-F497 HydrophobicContact CG-CE1 4.24Å; F495-S518 PolarHBondContact O-OG 3.42Å; F495-P519 WeakPolarHBondContact O-CD 3.39Å; F495-A520 VanDerWaalsContact O-CB 3.27Å; F495-A520 WeakPolarHBondContact O-CB 3.41Å; F495-A520 PolarHBondContact O-N 3.43Å; F495-I553 HydrophobicContact CD2-CG2 3.91Å; F495-I553 HydrophobicContact CE2-CG2 4.25Å; F495-C556 HydrophobicContact CE2-CB 4.24Å; F495-C556 HydrophobicContact CZ-CB 4Å; F495-L564 HydrophobicContact CB-CD2 4.44Å; F495-L564 HydrophobicContact CD1-CB 4.02Å; F495-L564 HydrophobicContact CD1-CD2 3.94Å; F495-L564 HydrophobicContact CD2-CD2 3.92Å; F495-L564 HydrophobicContact CE1-CB 3.41Å; F495-L564 VanDerWaalsContact CE1-CB 3.41Å; F495-L564 HydrophobicContact CE1-CD2 4.12Å; F495-L564 HydrophobicContact CE1-CG 4.4Å; F495-L564 HydrophobicContact CE2-CB 4.19Å; F495-L564 HydrophobicContact CE2-CD2 4.12Å; F495-L564 HydrophobicContact CG-CD2 3.82Å; F495-L564 HydrophobicContact CZ-CB 3.53Å; F495-L564 HydrophobicContact CZ-CD2 4.23Å; F495-L564 HydrophobicContact CZ-CG 4.41Å
496	G	92.5	Very high	88.8	Confident	13 Å²	13	74.4 Å²	74.4	13%	0.134	36%	0.364	C	S	.	.			trans	82.4	33.9	174.6	0	0	0	0	0	115.9	I515 S518	G496-I515 WeakPolarHBondContact O-CB 3.35Å; G496-I515 PolarHBondContact O-N 2.85Å; G496-S518 WeakPolarHBondContact CA-OG 3.49Å; G496-S518 PolarHBondContact O-OG 2.92Å; G496-S518 VanDerWaalsContact O-OG 3.12Å
497	F	94	Very high	88	Confident	26 Å²	26	71 Å²	71	11%	0.114	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.8	169.6	70.8	-78.8	0	0	0	111.2	M487 F495 V499 V511 R513 V514 A520 L527 I553 L564 L566	M487-F497 HydrophobicContact SD-CD1 4.43Å; M487-F497 HydrophobicContact SD-CE1 4.17Å; F495-F497 HydrophobicContact CB-CD1 3.7Å; F495-F497 HydrophobicContact CB-CE1 3.54Å; F495-F497 HydrophobicContact CG-CE1 4.24Å; F497-V499 HydrophobicContact CD2-CG1 3.95Å; F497-V499 HydrophobicContact CE2-CG1 3.61Å; F497-V511 HydrophobicContact CB-CG1 4.39Å; F497-V511 HydrophobicContact CD2-CG1 4.35Å; F497-V511 HydrophobicContact CD2-CG2 4.43Å; F497-R513 CarbonylContact C-O 3.59Å; F497-R513 WeakPolarHBondContact CA-O 3.36Å; F497-R513 WeakPolarHBondContact CB-O 3.28Å; F497-V514 HydrophobicContact CB-CG2 4.2Å; F497-A520 HydrophobicContact CB-CB 3.86Å; F497-A520 HydrophobicContact CD1-CB 3.74Å; F497-A520 HydrophobicContact CG-CB 4.16Å; F497-L527 HydrophobicContact CB-CD2 4Å; F497-L527 HydrophobicContact CD1-CD2 3.89Å; F497-L527 HydrophobicContact CD2-CD2 3.65Å; F497-L527 HydrophobicContact CE1-CD2 4.26Å; F497-L527 HydrophobicContact CE2-CD2 4.04Å; F497-L527 HydrophobicContact CG-CD2 3.57Å; F497-L527 HydrophobicContact CZ-CD2 4.34Å; F497-I553 HydrophobicContact CE1-CG2 4.4Å; F497-I553 HydrophobicContact CE2-CD1 3.97Å; F497-I553 HydrophobicContact CZ-CD1 3.92Å; F497-I553 HydrophobicContact CZ-CG1 4.39Å; F497-I553 HydrophobicContact CZ-CG2 4.07Å; F497-L564 HydrophobicContact CE1-CD2 3.66Å; F497-L564 HydrophobicContact CZ-CD2 3.8Å; F497-L566 HydrophobicContact CE2-CD1 4.37Å; F497-L566 HydrophobicContact CZ-CD1 3.97Å
498	N	91.8	Very high	87.6	Confident	85 Å²	85	73.4 Å²	73.4	46%	0.455	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.7	175.4	-69.2	62.7	0	0	0	109.6	V511 S512 R513	N498-V511 CarbonylContact O-C 3.53Å; N498-S512 VanDerWaalsContact C-OG 3.29Å; N498-S512 VanDerWaalsContact CB-OG 3.23Å; N498-S512 WeakPolarHBondContact CB-OG 3.49Å; N498-S512 PolarHBondContact O-N 3.11Å; N498-S512 PolarHBondContact O-OG 3.18Å; N498-R513 HydrophobicContact CB-CB 4.12Å; N498-R513 PolarHBondContact N-O 3.32Å; N498-R513 PolarHBondContact O-N 3.49Å
499	V	91.5	Very high	87.5	Confident	18 Å²	18	65.9 Å²	65.9	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	153.7	170.5	-66.1	0	0	0	0	110.5	F497 I509 I510 H546 V549 V550 I553	F497-V499 HydrophobicContact CD2-CG1 3.95Å; F497-V499 HydrophobicContact CE2-CG1 3.61Å; V499-I509 HydrophobicContact CB-CG2 4.15Å; V499-I509 HydrophobicContact CG1-CG2 4.24Å; V499-I510 CarbonylContact C-O 3.54Å; V499-I510 VanDerWaalsContact CA-O 3.3Å; V499-I510 WeakPolarHBondContact CA-O 3.47Å; V499-H546 PolarHBondContact O-CE1 3.15Å; V499-V549 HydrophobicContact CG2-CG1 4.14Å; V499-V550 HydrophobicContact CG2-CG2 4.1Å; V499-I553 HydrophobicContact CG1-CD1 4.01Å; V499-I553 HydrophobicContact CG2-CD1 4.08Å
500	K	83.2	Confident	87.2	Confident	75 Å²	75	65.2 Å²	65.2	33%	0.326	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	162.6	167.9	65.5	179.9	177.1	174.6	0	109.8	Y507 I509 I510	K500-Y507 HydrophobicContact CD-CE1 4.34Å; K500-Y507 HydrophobicContact CG-CE1 4.32Å; K500-I509 WeakPolarHBondContact O-CA 3.46Å; K500-I510 HydrophobicContact CG-CB 4.01Å; K500-I510 PolarHBondContact N-O 2.96Å; K500-I510 PolarHBondContact O-N 3Å
501	G	87.8	Confident	87.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.9	178.8	-178.4	0	0	0	0	0	113.6	I509 H546	G501-I509 VanDerWaalsContact C-CD1 3.48Å; G501-I509 WeakPolarHBondContact O-CD1 3.31Å; G501-H546 VanDerWaalsContact O-CB 3.28Å; G501-H546 WeakPolarHBondContact O-CB 3.5Å; G501-H546 PolarHBondContact O-ND1 3.15Å
502	G	86.6	Confident	86.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159	155.9	-170.2	0	0	0	0	0	109.5	D504 Q505 N506 Y507 I509	G502-D504 WeakPolarHBondContact CA-OD1 3.32Å; G502-D504 PolarHBondContact O-N 3.46Å; G502-Q505 CarbonylContact O-C 3.59Å; G502-Q505 PolarHBondContact O-N 3.21Å; G502-N506 PolarHBondContact O-N 3.38Å; G502-Y507 CarbonylContact C-O 3.58Å; G502-Y507 PolarHBondContact N-O 3.31Å; G502-Y507 PolarHBondContact O-N 2.88Å; G502-Y507 VanDerWaalsContact O-O 3.1Å; G502-I509 VanDerWaalsContact CA-CD1 3.5Å
503	Y	85.9	Confident	86.6	Confident	144 Å²	144	60.5 Å²	60.5	57%	0.565	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38.3	173.2	-178.2	-99.8	0	0	0	111.6	Q505 N506 C544	Y503-Q505 VanDerWaalsContact C-N 3.26Å; Y503-Q505 PolarHBondContact O-N 3.14Å; Y503-N506 PolarHBondContact O-N 3.49Å; Y503-N506 VanDerWaalsContact O-N 3.12Å; Y503-C544 PolarHBondContact N-O 2.94Å
504	D	92.3	Very high	86.5	Confident	94 Å²	94	59 Å²	59	50%	0.503	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.7	-27.1	173.3	58.7	-43.3	0	0	0	113.9	G502 T545 H546	G502-D504 WeakPolarHBondContact CA-OD1 3.32Å; G502-D504 PolarHBondContact O-N 3.46Å; D504-T545 HydrophobicContact CB-CG2 3.96Å; D504-T545 WeakPolarHBondContact OD1-CA 3.08Å; D504-H546 PolarHBondContact OD1-N 2.85Å
505	Q	86.6	Confident	86.1	Confident	99 Å²	99	55.4 Å²	55.4	46%	0.463	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-95	1.2	177.9	-61.1	179.1	17.9	0	0	112.3	G502 Y503 Y507	G502-Q505 CarbonylContact O-C 3.59Å; G502-Q505 PolarHBondContact O-N 3.21Å; Y503-Q505 VanDerWaalsContact C-N 3.26Å; Y503-Q505 PolarHBondContact O-N 3.14Å; Q505-Y507 PolarHBondContact O-N 3.05Å
506	N	81.4	Confident	85.2	Confident	154 Å²	154	59.8 Å²	59.8	82%	0.824	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	41.3	-170.3	-166.6	27.8	0	0	0	112.1	G502 Y503	G502-N506 PolarHBondContact O-N 3.38Å; Y503-N506 PolarHBondContact O-N 3.49Å; Y503-N506 VanDerWaalsContact O-N 3.12Å
507	Y	74.2	Confident	84.5	Confident	73 Å²	73	62.1 Å²	62.1	29%	0.286	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133	-172.1	-160.8	-93.8	0	0	0	109.9	K500 G502 Q505 I510 G724	K500-Y507 HydrophobicContact CD-CE1 4.34Å; K500-Y507 HydrophobicContact CG-CE1 4.32Å; G502-Y507 CarbonylContact C-O 3.58Å; G502-Y507 PolarHBondContact N-O 3.31Å; G502-Y507 PolarHBondContact O-N 2.88Å; G502-Y507 VanDerWaalsContact O-O 3.1Å; Q505-Y507 PolarHBondContact O-N 3.05Å; Y507-I510 HydrophobicContact CE1-CG1 4.02Å; Y507-G724 WeakPolarHBondContact OH-CA 3.32Å; Y507-G724 PolarHBondContact OH-O 3.33Å
508	P	83.4	Confident	84.3	Confident	60 Å²	60	61.4 Å²	61.4	39%	0.39	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	153.1	-179.4	25.9	-34.2	0	0	0	111.4	I510 Q532	P508-I510 HydrophobicContact CB-CD1 4.42Å; P508-I510 HydrophobicContact CG-CD1 4.23Å; P508-I510 HydrophobicContact CG-CG1 4.18Å; P508-I510 WeakPolarHBondContact O-CG1 3.46Å; P508-I510 PolarHBondContact O-N 2.82Å; P508-I510 VanDerWaalsContact O-N 3.15Å; P508-Q532 HydrophobicContact CB-CG 4.29Å
509	I	89.5	Confident	84.2	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.4	175.2	-50.2	-54.3	0	0	0	109.1	V499 K500 G501 G502 Q532 V533 V541 V549	V499-I509 HydrophobicContact CB-CG2 4.15Å; V499-I509 HydrophobicContact CG1-CG2 4.24Å; K500-I509 WeakPolarHBondContact O-CA 3.46Å; G501-I509 VanDerWaalsContact C-CD1 3.48Å; G501-I509 WeakPolarHBondContact O-CD1 3.31Å; G502-I509 VanDerWaalsContact CA-CD1 3.5Å; I509-Q532 CarbonylContact O-C 3.55Å; I509-Q532 WeakPolarHBondContact O-CA 3.39Å; I509-V533 HydrophobicContact CB-CB 4.2Å; I509-V533 HydrophobicContact CG2-CB 3.82Å; I509-V533 HydrophobicContact CG2-CG2 4.16Å; I509-V533 PolarHBondContact O-N 2.86Å; I509-V541 HydrophobicContact CB-CG2 4.48Å; I509-V541 HydrophobicContact CG1-CB 4.47Å; I509-V541 HydrophobicContact CG1-CG2 4.02Å; I509-V549 HydrophobicContact CD1-CB 4.4Å; I509-V549 HydrophobicContact CD1-CG1 4.42Å; I509-V549 HydrophobicContact CD1-CG2 3.68Å; I509-V549 HydrophobicContact CG1-CG1 4.5Å; I509-V549 HydrophobicContact CG1-CG2 3.95Å; I509-V549 HydrophobicContact CG2-CG1 3.83Å
510	I	84	Confident	84.3	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.082	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.4	-177.6	-61.1	-63.6	0	0	0	109.4	V499 K500 Y507 P508 S512 D531 Q532	V499-I510 CarbonylContact C-O 3.54Å; V499-I510 VanDerWaalsContact CA-O 3.3Å; V499-I510 WeakPolarHBondContact CA-O 3.47Å; K500-I510 HydrophobicContact CG-CB 4.01Å; K500-I510 PolarHBondContact N-O 2.96Å; K500-I510 PolarHBondContact O-N 3Å; Y507-I510 HydrophobicContact CE1-CG1 4.02Å; P508-I510 HydrophobicContact CB-CD1 4.42Å; P508-I510 HydrophobicContact CG-CD1 4.23Å; P508-I510 HydrophobicContact CG-CG1 4.18Å; P508-I510 WeakPolarHBondContact O-CG1 3.46Å; P508-I510 PolarHBondContact O-N 2.82Å; P508-I510 VanDerWaalsContact O-N 3.15Å; I510-S512 PolarHBondContact O-N 3.01Å; I510-S512 VanDerWaalsContact O-N 3.1Å; I510-D531 WeakPolarHBondContact CA-O 3.43Å; I510-Q532 HydrophobicContact CD1-CB 3.79Å; I510-Q532 HydrophobicContact CD1-CG 4.08Å
511	V	86.6	Confident	84.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	109.1	166.4	-179	0	0	0	0	108	F497 N498 V514 L527 N528 G530 D531 V533	F497-V511 HydrophobicContact CB-CG1 4.39Å; F497-V511 HydrophobicContact CD2-CG1 4.35Å; F497-V511 HydrophobicContact CD2-CG2 4.43Å; N498-V511 CarbonylContact O-C 3.53Å; V511-V514 HydrophobicContact CG1-CG2 3.64Å; V511-L527 HydrophobicContact CG1-CD2 4.17Å; V511-L527 HydrophobicContact CG1-CG 4.27Å; V511-L527 HydrophobicContact CG2-CD1 3.89Å; V511-L527 HydrophobicContact CG2-CD2 3.93Å; V511-L527 HydrophobicContact CG2-CG 3.97Å; V511-N528 WeakPolarHBondContact CB-O 3.36Å; V511-G530 PolarHBondContact O-N 2.74Å; V511-D531 HydrophobicContact CB-CB 4.46Å; V511-D531 HydrophobicContact CG2-CB 4.11Å; V511-D531 PolarHBondContact N-O 2.62Å; V511-V533 HydrophobicContact CG2-CG2 3.94Å
512	S	79.2	Confident	83.9	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-33.6	-176.2	59.4	0	0	0	0	113.2	N498 I510	N498-S512 VanDerWaalsContact C-OG 3.29Å; N498-S512 VanDerWaalsContact CB-OG 3.23Å; N498-S512 WeakPolarHBondContact CB-OG 3.49Å; N498-S512 PolarHBondContact O-N 3.11Å; N498-S512 PolarHBondContact O-OG 3.18Å; I510-S512 PolarHBondContact O-N 3.01Å; I510-S512 VanDerWaalsContact O-N 3.1Å
513	R	80	Confident	83.8	Confident	155 Å²	155	60.7 Å²	60.7	59%	0.585	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.2	-178.2	-168	175.3	-176.1	173	1.9	110.5	F497 N498 E529	F497-R513 CarbonylContact C-O 3.59Å; F497-R513 WeakPolarHBondContact CA-O 3.36Å; F497-R513 WeakPolarHBondContact CB-O 3.28Å; N498-R513 HydrophobicContact CB-CB 4.12Å; N498-R513 PolarHBondContact N-O 3.32Å; N498-R513 PolarHBondContact O-N 3.49Å; R513-E529 VanDerWaalsContact CA-OE1 3.28Å; R513-E529 WeakPolarHBondContact CA-OE1 3.5Å
514	V	82.9	Confident	83	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.2	169.5	178.3	0	0	0	0	108	F497 V511 P516 A520 D521 E529	F497-V514 HydrophobicContact CB-CG2 4.2Å; V511-V514 HydrophobicContact CG1-CG2 3.64Å; V514-P516 WeakPolarHBondContact O-CD 3.33Å; V514-A520 HydrophobicContact CG1-CB 4.12Å; V514-D521 HydrophobicContact CG1-CB 3.86Å; V514-E529 HydrophobicContact CB-CG 4.14Å; V514-E529 HydrophobicContact CG2-CG 3.93Å; V514-E529 PolarHBondContact N-OE1 2.52Å
515	I	81.6	Confident	82.6	Confident	79 Å²	79	59.9 Å²	59.9	41%	0.405	34%	0.336	S	S	.	.			trans	-81.9	123.1	-177.4	-64	171.5	0	0	0	108.4	G496 S518 D521	G496-I515 WeakPolarHBondContact O-CB 3.35Å; G496-I515 PolarHBondContact O-N 2.85Å; I515-S518 WeakPolarHBondContact O-CB 3.41Å; I515-S518 PolarHBondContact O-N 3.26Å; I515-S518 VanDerWaalsContact O-N 3.16Å; I515-S518 PolarHBondContact O-OG 3.32Å; I515-D521 WeakPolarHBondContact O-CB 3.5Å
516	P	73.7	Confident	82.3	Confident	105 Å²	105	58.7 Å²	58.7	68%	0.682	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	139.9	176.1	-26.7	35.4	0	0	0	112.9	V514 S518 D521	V514-P516 WeakPolarHBondContact O-CD 3.33Å; P516-S518 PolarHBondContact O-N 2.89Å; P516-D521 WeakPolarHBondContact CA-OD2 3.38Å
517	G	77.4	Confident	82.6	Confident	62 Å²	62	51.3 Å²	51.3	64%	0.639	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	0.1	-177.5	0	0	0	0	0	115.3	D521	G517-D521 PolarHBondContact N-OD2 3.42Å
518	S	90.5	Very high	82.9	Confident	11 Å²	11	50.9 Å²	50.9	8%	0.077	29%	0.29	C	S	.	.	S	Bend	trans	-83.1	165.6	178.1	76.5	0	0	0	0	112.8	F495 G496 I515 P516 A520 D521 T522	F495-S518 PolarHBondContact O-OG 3.42Å; G496-S518 WeakPolarHBondContact CA-OG 3.49Å; G496-S518 PolarHBondContact O-OG 2.92Å; G496-S518 VanDerWaalsContact O-OG 3.12Å; I515-S518 WeakPolarHBondContact O-CB 3.41Å; I515-S518 PolarHBondContact O-N 3.26Å; I515-S518 VanDerWaalsContact O-N 3.16Å; I515-S518 PolarHBondContact O-OG 3.32Å; P516-S518 PolarHBondContact O-N 2.89Å; S518-A520 PolarHBondContact O-N 2.83Å; S518-A520 VanDerWaalsContact O-N 3.14Å; S518-D521 WeakPolarHBondContact O-CA 3.44Å; S518-D521 WeakPolarHBondContact O-CB 3.3Å; S518-D521 PolarHBondContact O-N 3.39Å; S518-T522 PolarHBondContact O-N 2.76Å; S518-T522 PolarHBondContact O-OG1 3.22Å
519	P	91	Very high	82.7	Confident	20 Å²	20	51.6 Å²	51.6	13%	0.13	29%	0.288	C	S	.	.	H	α-helix	trans	-54.9	-33.6	177.9	-28	34.4	0	0	0	115.4	R488 D490 F495 D521 C523	R488-P519 WeakPolarHBondContact O-CB 3.49Å; R488-P519 WeakPolarHBondContact O-CG 3.22Å; D490-P519 HydrophobicContact CB-CG 4.03Å; F495-P519 WeakPolarHBondContact O-CD 3.39Å; P519-D521 VanDerWaalsContact C-N 3.34Å; P519-C523 WeakPolarHBondContact O-CB 3.27Å; P519-C523 PolarHBondContact O-N 3.36Å
520	A	92.2	Very high	81.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.3	-29.4	175.8	0	0	0	0	0	113.2	M487 F495 F497 V514 S518 C523 L527	M487-A520 HydrophobicContact CE-CB 4.09Å; M487-A520 HydrophobicContact SD-CB 3.97Å; F495-A520 VanDerWaalsContact O-CB 3.27Å; F495-A520 WeakPolarHBondContact O-CB 3.41Å; F495-A520 PolarHBondContact O-N 3.43Å; F497-A520 HydrophobicContact CB-CB 3.86Å; F497-A520 HydrophobicContact CD1-CB 3.74Å; F497-A520 HydrophobicContact CG-CB 4.16Å; V514-A520 HydrophobicContact CG1-CB 4.12Å; S518-A520 PolarHBondContact O-N 2.83Å; S518-A520 VanDerWaalsContact O-N 3.14Å; A520-C523 PolarHBondContact O-SG 3.04Å; A520-C523 VanDerWaalsContact O-SG 3.37Å; A520-L527 HydrophobicContact CB-CB 4.33Å; A520-L527 HydrophobicContact CB-CD2 4.12Å; A520-L527 WeakPolarHBondContact O-CB 3.45Å; A520-L527 PolarHBondContact O-N 3.39Å
521	D	83	Confident	81.9	Confident	38 Å²	38	51.2 Å²	51.2	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-77.6	-36.6	175	-176	47.1	0	0	0	112.1	V514 I515 P516 G517 S518 P519 R526	V514-D521 HydrophobicContact CG1-CB 3.86Å; I515-D521 WeakPolarHBondContact O-CB 3.5Å; P516-D521 WeakPolarHBondContact CA-OD2 3.38Å; G517-D521 PolarHBondContact N-OD2 3.42Å; S518-D521 WeakPolarHBondContact O-CA 3.44Å; S518-D521 WeakPolarHBondContact O-CB 3.3Å; S518-D521 PolarHBondContact O-N 3.39Å; P519-D521 VanDerWaalsContact C-N 3.34Å; D521-R526 VanDerWaalsContact O-CD 3.28Å; D521-R526 WeakPolarHBondContact O-CD 3.26Å; D521-R526 WeakPolarHBondContact O-CG 3.21Å; D521-R526 PolarHBondContact O-NE 2.7Å; D521-R526 IonicContact OD1-CZ 2.7Å; D521-R526 IonicContact OD1-NE 3.88Å; D521-R526 PolarHBondContact OD1-NE 3.11Å; D521-R526 IonicContact OD1-NH2 3.16Å; D521-R526 PolarHBondContact OD1-NH2 3.36Å
522	T	80.7	Confident	82	Confident	93 Å²	93	53 Å²	53	57%	0.571	30%	0.298	S	S	*	.	H	α-helix	trans	-97.7	-7.9	-172.9	63.6	0	0	0	0	114.4	S518	S518-T522 PolarHBondContact O-N 2.76Å; S518-T522 PolarHBondContact O-OG1 3.22Å
523	C	84.5	Confident	82.6	Confident	13 Å²	13	51 Å²	51	9%	0.088	28%	0.284	C	S	.	.	S	Bend	trans	-67.8	157.5	178.1	64.9	0	0	0	0	111.8	M487 P519 A520 P525 R526	M487-C523 HydrophobicContact CB-CB 3.98Å; P519-C523 WeakPolarHBondContact O-CB 3.27Å; P519-C523 PolarHBondContact O-N 3.36Å; A520-C523 PolarHBondContact O-SG 3.04Å; A520-C523 VanDerWaalsContact O-SG 3.37Å; C523-P525 CarbonylContact C-O 3.52Å; C523-P525 CarbonylContact O-C 3.55Å; C523-P525 VanDerWaalsContact O-C 3.22Å; C523-P525 PolarHBondContact SG-O 2.96Å; C523-R526 WeakPolarHBondContact O-CA 3.31Å; C523-R526 PolarHBondContact O-N 2.83Å
524	L	68.7	Low	83.2	Confident	159 Å²	159	44.6 Å²	44.6	83%	0.832	26%	0.261	S	S	*	.	S	Bend	trans	-123.4	118.2	174.9	-71.1	171.8	0	0	0	109.2
525	P	84.1	Confident	83.8	Confident	62 Å²	62	44.5 Å²	44.5	40%	0.403	26%	0.26	S	S	.	.	S	Bend	cis	-64.4	148.2	-4.6	-17.6	32.2	0	0	0	112.5	V483 I485 C523	V483-P525 HydrophobicContact CG1-CB 3.8Å; V483-P525 HydrophobicContact CG1-CG 3.69Å; I485-P525 HydrophobicContact CG1-CB 4.32Å; I485-P525 WeakPolarHBondContact CG2-O 3.29Å; C523-P525 CarbonylContact C-O 3.52Å; C523-P525 CarbonylContact O-C 3.55Å; C523-P525 VanDerWaalsContact O-C 3.22Å; C523-P525 PolarHBondContact SG-O 2.96Å
526	R	79.9	Confident	84.4	Confident	73 Å²	73	40.8 Å²	40.8	28%	0.275	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-68	136.8	177.9	178.2	174.8	-176	-78.2	-0.6	110.6	D521 C523 N528	D521-R526 VanDerWaalsContact O-CD 3.28Å; D521-R526 WeakPolarHBondContact O-CD 3.26Å; D521-R526 WeakPolarHBondContact O-CG 3.21Å; D521-R526 PolarHBondContact O-NE 2.7Å; D521-R526 IonicContact OD1-CZ 2.7Å; D521-R526 IonicContact OD1-NE 3.88Å; D521-R526 PolarHBondContact OD1-NE 3.11Å; D521-R526 IonicContact OD1-NH2 3.16Å; D521-R526 PolarHBondContact OD1-NH2 3.36Å; C523-R526 WeakPolarHBondContact O-CA 3.31Å; C523-R526 PolarHBondContact O-N 2.83Å; R526-N528 PolarHBondContact NH1-OD1 2.84Å; R526-N528 PolarHBondContact O-ND2 3.12Å; R526-N528 VanDerWaalsContact O-ND2 3.15Å
527	L	87.4	Confident	85.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-77.3	128.7	170.3	-171.2	68.9	0	0	0	109.2	I485 M487 F497 V511 A520 D531 L566 V568	I485-L527 HydrophobicContact CD1-CB 4.12Å; I485-L527 HydrophobicContact CD1-CD1 3.59Å; I485-L527 HydrophobicContact CD1-CG 4.49Å; M487-L527 HydrophobicContact CE-CB 4.14Å; M487-L527 HydrophobicContact CE-CD2 4.12Å; F497-L527 HydrophobicContact CB-CD2 4Å; F497-L527 HydrophobicContact CD1-CD2 3.89Å; F497-L527 HydrophobicContact CD2-CD2 3.65Å; F497-L527 HydrophobicContact CE1-CD2 4.26Å; F497-L527 HydrophobicContact CE2-CD2 4.04Å; F497-L527 HydrophobicContact CG-CD2 3.57Å; F497-L527 HydrophobicContact CZ-CD2 4.34Å; V511-L527 HydrophobicContact CG1-CD2 4.17Å; V511-L527 HydrophobicContact CG1-CG 4.27Å; V511-L527 HydrophobicContact CG2-CD1 3.89Å; V511-L527 HydrophobicContact CG2-CD2 3.93Å; V511-L527 HydrophobicContact CG2-CG 3.97Å; A520-L527 HydrophobicContact CB-CB 4.33Å; A520-L527 HydrophobicContact CB-CD2 4.12Å; A520-L527 WeakPolarHBondContact O-CB 3.45Å; A520-L527 PolarHBondContact O-N 3.39Å; L527-D531 HydrophobicContact CD1-CB 4.4Å; L527-L566 HydrophobicContact CD1-CD1 3.97Å; L527-L566 HydrophobicContact CD2-CD1 3.94Å; L527-V568 HydrophobicContact CD1-CG1 3.94Å
528	N	81.7	Confident	85.6	Confident	63 Å²	63	41 Å²	41	34%	0.337	21%	0.213	S	C	.	.			trans	-110.3	149.6	-177.2	-58.7	-69.8	0	0	0	111.9	V511 R526 G530 D531	V511-N528 WeakPolarHBondContact CB-O 3.36Å; R526-N528 PolarHBondContact NH1-OD1 2.84Å; R526-N528 PolarHBondContact O-ND2 3.12Å; R526-N528 VanDerWaalsContact O-ND2 3.15Å; N528-G530 PolarHBondContact O-N 3.29Å; N528-D531 PolarHBondContact N-OD2 3.16Å; N528-D531 WeakPolarHBondContact O-CB 3.4Å; N528-D531 VanDerWaalsContact O-CG 3.26Å; N528-D531 PolarHBondContact O-N 3.23Å; N528-D531 VanDerWaalsContact O-N 3.14Å
529	E	77.7	Confident	85.5	Confident	75 Å²	75	43.1 Å²	43.1	35%	0.35	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	131	169.7	-61.8	-176.4	172.4	0	0	110.2	R513 V514 N571	R513-E529 VanDerWaalsContact CA-OE1 3.28Å; R513-E529 WeakPolarHBondContact CA-OE1 3.5Å; V514-E529 HydrophobicContact CB-CG 4.14Å; V514-E529 HydrophobicContact CG2-CG 3.93Å; V514-E529 PolarHBondContact N-OE1 2.52Å; E529-N571 PolarHBondContact O-ND2 2.98Å
530	G	72.9	Confident	85.6	Confident	12 Å²	12	47 Å²	47	12%	0.124	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-12.4	-174.6	0	0	0	0	0	114.6	V511 N528 Q532 N571	V511-G530 PolarHBondContact O-N 2.74Å; N528-G530 PolarHBondContact O-N 3.29Å; G530-Q532 PolarHBondContact O-N 3.29Å; G530-N571 VanDerWaalsContact C-CB 3.49Å
531	D	84.3	Confident	85.6	Confident	3 Å²	3	47 Å²	47	2%	0.016	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59.3	134.4	179.1	-72.9	-11.1	0	0	0	110.1	I510 V511 L527 N528 V568 P570 N571	I510-D531 WeakPolarHBondContact CA-O 3.43Å; V511-D531 HydrophobicContact CB-CB 4.46Å; V511-D531 HydrophobicContact CG2-CB 4.11Å; V511-D531 PolarHBondContact N-O 2.62Å; L527-D531 HydrophobicContact CD1-CB 4.4Å; N528-D531 PolarHBondContact N-OD2 3.16Å; N528-D531 WeakPolarHBondContact O-CB 3.4Å; N528-D531 VanDerWaalsContact O-CG 3.26Å; N528-D531 PolarHBondContact O-N 3.23Å; N528-D531 VanDerWaalsContact O-N 3.14Å; D531-V568 HydrophobicContact CB-CB 4.24Å; D531-V568 HydrophobicContact CB-CG2 4.41Å; D531-P570 VanDerWaalsContact OD1-CA 3.3Å; D531-P570 WeakPolarHBondContact OD1-CA 3.19Å; D531-N571 PolarHBondContact OD1-N 2.6Å
532	Q	88.6	Confident	85.8	Confident	39 Å²	39	48.1 Å²	48.1	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	177.4	-177.5	-175.6	4.4	0	0	109.3	P508 I509 I510 G530 L534 V568 R569	P508-Q532 HydrophobicContact CB-CG 4.29Å; I509-Q532 CarbonylContact O-C 3.55Å; I509-Q532 WeakPolarHBondContact O-CA 3.39Å; I510-Q532 HydrophobicContact CD1-CB 3.79Å; I510-Q532 HydrophobicContact CD1-CG 4.08Å; G530-Q532 PolarHBondContact O-N 3.29Å; Q532-L534 HydrophobicContact CG-CD2 3.95Å; Q532-L534 PolarHBondContact O-N 3.21Å; Q532-V568 CarbonylContact O-C 3.52Å; Q532-V568 WeakPolarHBondContact O-CA 3.49Å; Q532-R569 HydrophobicContact CB-CB 4.28Å; Q532-R569 PolarHBondContact N-O 2.63Å; Q532-R569 PolarHBondContact O-N 2.89Å; Q532-R569 VanDerWaalsContact OE1-NH1 3.09Å
533	V	91.9	Very high	86.3	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.7	176.4	-173.6	0	0	0	0	108.8	I509 V511 I536 V541 L566 V568	I509-V533 HydrophobicContact CB-CB 4.2Å; I509-V533 HydrophobicContact CG2-CB 3.82Å; I509-V533 HydrophobicContact CG2-CG2 4.16Å; I509-V533 PolarHBondContact O-N 2.86Å; V511-V533 HydrophobicContact CG2-CG2 3.94Å; V533-I536 HydrophobicContact CG1-CD1 4.06Å; V533-I536 HydrophobicContact CG1-CG1 3.66Å; V533-V541 HydrophobicContact CG1-CG2 4.11Å; V533-V541 WeakPolarHBondContact O-CG2 3.45Å; V533-L566 HydrophobicContact CG1-CD2 4.15Å; V533-V568 HydrophobicContact CG2-CG1 4.28Å
534	L	92.6	Very high	86.7	Confident	21 Å²	21	49.7 Å²	49.7	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-35.6	178.5	-58.5	-176.7	0	0	0	111.8	F476 L482 Q532 E540 V541 I567 R569	F476-L534 HydrophobicContact CE1-CB 4.5Å; L482-L534 HydrophobicContact CD1-CD1 4.02Å; L482-L534 HydrophobicContact CD2-CD1 3.42Å; L482-L534 VanDerWaalsContact CD2-CD1 3.42Å; L482-L534 HydrophobicContact CG-CD1 4.38Å; Q532-L534 HydrophobicContact CG-CD2 3.95Å; Q532-L534 PolarHBondContact O-N 3.21Å; L534-E540 WeakPolarHBondContact O-CA 3.27Å; L534-V541 WeakPolarHBondContact O-CG2 3.26Å; L534-V541 PolarHBondContact O-N 2.9Å; L534-I567 PolarHBondContact N-O 3.17Å; L534-R569 HydrophobicContact CD1-CB 4.2Å; L534-R569 HydrophobicContact CG-CB 4.48Å
535	A	95.3	Very high	87.9	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.3	176.3	0	0	0	0	0	112.9	F476 V539 L566 I567	F476-A535 HydrophobicContact CE2-CB 4.4Å; A535-V539 CarbonylContact C-O 3.56Å; A535-V539 WeakPolarHBondContact CA-O 3.26Å; A535-V539 WeakPolarHBondContact CB-O 3.36Å; A535-L566 WeakPolarHBondContact O-CA 3.45Å; A535-I567 HydrophobicContact CB-CB 4.01Å; A535-I567 HydrophobicContact CB-CG1 4.08Å; A535-I567 PolarHBondContact N-O 2.95Å; A535-I567 PolarHBondContact O-N 3.48Å
536	I	94.4	Very high	88.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.2	178.3	-57.2	-174.4	0	0	0	108.2	V533 R538 V539 V541 V549 I553 L564 L565 L566	V533-I536 HydrophobicContact CG1-CD1 4.06Å; V533-I536 HydrophobicContact CG1-CG1 3.66Å; I536-R538 PolarHBondContact O-N 3.38Å; I536-R538 VanDerWaalsContact O-N 3.13Å; I536-V539 PolarHBondContact N-O 3.08Å; I536-V539 WeakPolarHBondContact O-CB 3.44Å; I536-V539 PolarHBondContact O-N 2.89Å; I536-V541 HydrophobicContact CB-CG1 4.14Å; I536-V541 HydrophobicContact CD1-CG1 3.92Å; I536-V541 HydrophobicContact CG1-CG1 3.75Å; I536-V549 HydrophobicContact CD1-CG1 3.8Å; I536-I553 HydrophobicContact CD1-CD1 4.02Å; I536-I553 HydrophobicContact CD1-CG1 3.6Å; I536-I553 HydrophobicContact CG2-CG1 4.41Å; I536-L564 HydrophobicContact CG2-CD1 3.69Å; I536-L565 CarbonylContact C-O 3.5Å; I536-L565 WeakPolarHBondContact CA-O 3.47Å; I536-L566 HydrophobicContact CB-CD2 4.36Å; I536-L566 HydrophobicContact CD1-CD2 4.38Å; I536-L566 HydrophobicContact CG1-CD2 3.8Å; I536-L566 HydrophobicContact CG2-CD2 4.27Å
537	N	90.1	Very high	88.9	Confident	51 Å²	51	46 Å²	46	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	43.3	-176	-78.8	-1.6	0	0	0	113.3	V539 C556 E563 L565	N537-V539 PolarHBondContact O-N 3.17Å; N537-C556 PolarHBondContact ND2-SG 3.09Å; N537-E563 PolarHBondContact ND2-O 2.92Å; N537-E563 PolarHBondContact OD1-O 3.35Å; N537-L565 PolarHBondContact N-O 3.09Å; N537-L565 PolarHBondContact OD1-N 3.37Å
538	R	85.2	Confident	89.2	Confident	120 Å²	120	49.4 Å²	49.4	45%	0.453	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	7.4	-179.5	-47.3	170	179.4	-94	6.1	115.2	G471 F472 I536 L565	G471-R538 PolarHBondContact O-NH1 3.44Å; G471-R538 VanDerWaalsContact O-NH1 3.1Å; F472-R538 HydrophobicContact CE1-CB 4.27Å; F472-R538 HydrophobicContact CE2-CB 4.02Å; F472-R538 HydrophobicContact CE2-CG 4.22Å; F472-R538 HydrophobicContact CZ-CB 3.73Å; F472-R538 HydrophobicContact CZ-CG 4.33Å; I536-R538 PolarHBondContact O-N 3.38Å; I536-R538 VanDerWaalsContact O-N 3.13Å; R538-L565 HydrophobicContact CG-CD2 4.01Å
539	V	89.6	Confident	89.8	Confident	56 Å²	56	46.4 Å²	46.4	34%	0.339	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.5	170.2	-177.7	0	0	0	0	108.7	A535 I536 N537 Y552	A535-V539 CarbonylContact C-O 3.56Å; A535-V539 WeakPolarHBondContact CA-O 3.26Å; A535-V539 WeakPolarHBondContact CB-O 3.36Å; I536-V539 PolarHBondContact N-O 3.08Å; I536-V539 WeakPolarHBondContact O-CB 3.44Å; I536-V539 PolarHBondContact O-N 2.89Å; N537-V539 PolarHBondContact O-N 3.17Å; V539-Y552 HydrophobicContact CG1-CE2 4.17Å
540	E	92.8	Very high	90.5	Very high	101 Å²	101	44.3 Å²	44.3	47%	0.472	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.5	172.6	-168.9	-175.6	161.4	0	0	110.1	F476 L534 S542	F476-E540 HydrophobicContact CZ-CG 4.24Å; L534-E540 WeakPolarHBondContact O-CA 3.27Å; E540-S542 WeakPolarHBondContact OE1-CB 3.35Å; E540-S542 PolarHBondContact OE1-OG 3.5Å
541	V	93.1	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.			trans	-106.9	7.5	-173.5	-63.9	0	0	0	0	114.2	I509 V533 L534 I536 Q543 C544 V549	I509-V541 HydrophobicContact CB-CG2 4.48Å; I509-V541 HydrophobicContact CG1-CB 4.47Å; I509-V541 HydrophobicContact CG1-CG2 4.02Å; V533-V541 HydrophobicContact CG1-CG2 4.11Å; V533-V541 WeakPolarHBondContact O-CG2 3.45Å; L534-V541 WeakPolarHBondContact O-CG2 3.26Å; L534-V541 PolarHBondContact O-N 2.9Å; I536-V541 HydrophobicContact CB-CG1 4.14Å; I536-V541 HydrophobicContact CD1-CG1 3.92Å; I536-V541 HydrophobicContact CG1-CG1 3.75Å; V541-Q543 VanDerWaalsContact C-N 3.28Å; V541-Q543 PolarHBondContact O-N 3.17Å; V541-C544 HydrophobicContact CB-CB 4.2Å; V541-C544 WeakPolarHBondContact O-CB 3.39Å; V541-C544 PolarHBondContact O-N 3.39Å; V541-C544 VanDerWaalsContact O-N 3.08Å; V541-V549 HydrophobicContact CB-CG2 4.02Å; V541-V549 HydrophobicContact CG1-CG2 4.28Å
542	S	87.2	Confident	91.7	Very high	62 Å²	62	54 Å²	54	43%	0.434	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-35.7	-177.3	58.3	0	0	0	0	113.7	E540	E540-S542 WeakPolarHBondContact OE1-CB 3.35Å; E540-S542 PolarHBondContact OE1-OG 3.5Å
543	Q	89.9	Confident	91.8	Very high	127 Å²	127	53 Å²	53	59%	0.593	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	9.1	178	-59.7	-62.7	-43.1	0	0	113.1	V541	V541-Q543 VanDerWaalsContact C-N 3.28Å; V541-Q543 PolarHBondContact O-N 3.17Å
544	C	92.6	Very high	91.5	Very high	12 Å²	12	61 Å²	61	8%	0.081	28%	0.284	C	S	.	.			trans	-85.8	138.9	-179.8	-69.2	0	0	0	0	110.8	Y503 V541 Q548 V549	Y503-C544 PolarHBondContact N-O 2.94Å; V541-C544 HydrophobicContact CB-CB 4.2Å; V541-C544 WeakPolarHBondContact O-CB 3.39Å; V541-C544 PolarHBondContact O-N 3.39Å; V541-C544 VanDerWaalsContact O-N 3.08Å; C544-Q548 HydrophobicContact CB-CB 4.18Å; C544-V549 HydrophobicContact CB-CG2 3.57Å
545	T	94.4	Very high	91.1	Very high	41 Å²	41	62.1 Å²	62.1	25%	0.252	29%	0.293	S	S	.	.			trans	-66.3	158.4	166.4	61.2	0	0	0	0	110.9	D504 E547 Q548 V549	D504-T545 HydrophobicContact CB-CG2 3.96Å; D504-T545 WeakPolarHBondContact OD1-CA 3.08Å; T545-E547 PolarHBondContact O-N 3.46Å; T545-Q548 PolarHBondContact O-N 3.17Å; T545-Q548 VanDerWaalsContact O-N 3.12Å; T545-Q548 WeakPolarHBondContact OG1-CB 3.44Å; T545-Q548 VanDerWaalsContact OG1-CD 3.25Å; T545-Q548 VanDerWaalsContact OG1-CG 3.24Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.41Å; T545-Q548 PolarHBondContact OG1-N 3.31Å; T545-Q548 PolarHBondContact OG1-OE1 3.12Å; T545-V549 WeakPolarHBondContact O-CG2 2.97Å; T545-V549 PolarHBondContact O-N 3.44Å
546	H	90.6	Very high	90.2	Very high	51 Å²	51	62 Å²	62	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-52.4	-44.6	177.2	-175.5	73	0	0	0	112.4	V499 G501 D504 Q548 V549 V550	V499-H546 PolarHBondContact O-CE1 3.15Å; G501-H546 VanDerWaalsContact O-CB 3.28Å; G501-H546 WeakPolarHBondContact O-CB 3.5Å; G501-H546 PolarHBondContact O-ND1 3.15Å; D504-H546 PolarHBondContact OD1-N 2.85Å; H546-Q548 PolarHBondContact O-N 3.18Å; H546-V549 PolarHBondContact O-N 3.24Å; H546-V550 WeakPolarHBondContact O-CG2 3.14Å; H546-V550 PolarHBondContact O-N 2.87Å
547	E	94.2	Very high	89.1	Confident	124 Å²	124	67.6 Å²	67.6	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-41.6	-179.8	-161.4	-161.7	146.9	0	0	112.1	T545 V549 V550 R551	T545-E547 PolarHBondContact O-N 3.46Å; E547-V549 VanDerWaalsContact C-N 3.34Å; E547-V549 PolarHBondContact O-N 3.39Å; E547-V550 PolarHBondContact O-N 3.1Å; E547-R551 VanDerWaalsContact O-CB 3.32Å; E547-R551 WeakPolarHBondContact O-CB 3.14Å; E547-R551 PolarHBondContact O-N 2.94Å; E547-R551 IonicContact OE1-CZ 3.52Å; E547-R551 IonicContact OE1-NH2 3.08Å; E547-R551 PolarHBondContact OE1-NH2 2.71Å
548	Q	94.6	Very high	88.2	Confident	71 Å²	71	72.1 Å²	72.1	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-42.1	175.7	-75.6	165.9	-35.9	0	0	111.5	C544 T545 H546 R551 Y552	C544-Q548 HydrophobicContact CB-CB 4.18Å; T545-Q548 PolarHBondContact O-N 3.17Å; T545-Q548 VanDerWaalsContact O-N 3.12Å; T545-Q548 WeakPolarHBondContact OG1-CB 3.44Å; T545-Q548 VanDerWaalsContact OG1-CD 3.25Å; T545-Q548 VanDerWaalsContact OG1-CG 3.24Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.41Å; T545-Q548 PolarHBondContact OG1-N 3.31Å; T545-Q548 PolarHBondContact OG1-OE1 3.12Å; H546-Q548 PolarHBondContact O-N 3.18Å; Q548-R551 WeakPolarHBondContact O-CB 3.02Å; Q548-R551 PolarHBondContact O-N 2.88Å; Q548-Y552 HydrophobicContact CB-CE2 4.36Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.39Å; Q548-Y552 PolarHBondContact O-N 3.31Å
549	V	93.8	Very high	87.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-48.9	176.7	172.7	0	0	0	0	111.3	V499 I509 I536 V541 C544 T545 H546 E547 R551 Y552 I553	V499-V549 HydrophobicContact CG2-CG1 4.14Å; I509-V549 HydrophobicContact CD1-CB 4.4Å; I509-V549 HydrophobicContact CD1-CG1 4.42Å; I509-V549 HydrophobicContact CD1-CG2 3.68Å; I509-V549 HydrophobicContact CG1-CG1 4.5Å; I509-V549 HydrophobicContact CG1-CG2 3.95Å; I509-V549 HydrophobicContact CG2-CG1 3.83Å; I536-V549 HydrophobicContact CD1-CG1 3.8Å; V541-V549 HydrophobicContact CB-CG2 4.02Å; V541-V549 HydrophobicContact CG1-CG2 4.28Å; C544-V549 HydrophobicContact CB-CG2 3.57Å; T545-V549 WeakPolarHBondContact O-CG2 2.97Å; T545-V549 PolarHBondContact O-N 3.44Å; H546-V549 PolarHBondContact O-N 3.24Å; E547-V549 VanDerWaalsContact C-N 3.34Å; E547-V549 PolarHBondContact O-N 3.39Å; V549-R551 VanDerWaalsContact C-N 3.25Å; V549-R551 PolarHBondContact O-N 3.15Å; V549-Y552 PolarHBondContact O-N 2.92Å; V549-I553 HydrophobicContact CG1-CD1 4.19Å; V549-I553 WeakPolarHBondContact O-CG1 3.46Å; V549-I553 PolarHBondContact O-N 3.08Å
550	V	92.7	Very high	86.8	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-39.2	176.7	173	0	0	0	0	110.8	V499 H546 E547 I553 R554	V499-V550 HydrophobicContact CG2-CG2 4.1Å; H546-V550 WeakPolarHBondContact O-CG2 3.14Å; H546-V550 PolarHBondContact O-N 2.87Å; E547-V550 PolarHBondContact O-N 3.1Å; V550-I553 PolarHBondContact O-N 3.24Å; V550-R554 HydrophobicContact CG1-CG 4.45Å; V550-R554 WeakPolarHBondContact O-CB 3.33Å; V550-R554 VanDerWaalsContact O-CG 3.29Å; V550-R554 WeakPolarHBondContact O-CG 3.37Å; V550-R554 PolarHBondContact O-N 3.5Å
551	R	90.9	Very high	86	Confident	133 Å²	133	70 Å²	70	50%	0.502	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-45.4	175.6	-168.2	-176.8	-60.6	149.7	1.5	111.7	E547 Q548 V549 I553 R554 S555	E547-R551 VanDerWaalsContact O-CB 3.32Å; E547-R551 WeakPolarHBondContact O-CB 3.14Å; E547-R551 PolarHBondContact O-N 2.94Å; E547-R551 IonicContact OE1-CZ 3.52Å; E547-R551 IonicContact OE1-NH2 3.08Å; E547-R551 PolarHBondContact OE1-NH2 2.71Å; Q548-R551 WeakPolarHBondContact O-CB 3.02Å; Q548-R551 PolarHBondContact O-N 2.88Å; V549-R551 VanDerWaalsContact C-N 3.25Å; V549-R551 PolarHBondContact O-N 3.15Å; R551-I553 PolarHBondContact O-N 3.38Å; R551-R554 PolarHBondContact O-N 2.81Å; R551-S555 WeakPolarHBondContact O-CB 3.48Å; R551-S555 PolarHBondContact O-N 2.86Å; R551-S555 PolarHBondContact O-OG 2.97Å
552	Y	91.3	Very high	85.4	Confident	86 Å²	86	76.2 Å²	76.2	34%	0.337	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-41.3	176.9	-74.6	-51.8	0	0	0	112.6	V539 Q548 V549 R554 S555 C556	V539-Y552 HydrophobicContact CG1-CE2 4.17Å; Q548-Y552 HydrophobicContact CB-CE2 4.36Å; Q548-Y552 WeakPolarHBondContact O-CD2 3.39Å; Q548-Y552 PolarHBondContact O-N 3.31Å; V549-Y552 PolarHBondContact O-N 2.92Å; Y552-R554 VanDerWaalsContact C-N 3.33Å; Y552-R554 PolarHBondContact O-N 3.36Å; Y552-S555 WeakPolarHBondContact CA-OG 3.49Å; Y552-S555 PolarHBondContact O-OG 2.92Å; Y552-C556 PolarHBondContact O-SG 3.05Å
553	I	90.3	Very high	85.4	Confident	19 Å²	19	75.8 Å²	75.8	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-44.6	175.1	-63.3	167.6	0	0	0	110	F495 F497 V499 I536 V549 V550 R551 C556 L564	F495-I553 HydrophobicContact CD2-CG2 3.91Å; F495-I553 HydrophobicContact CE2-CG2 4.25Å; F497-I553 HydrophobicContact CE1-CG2 4.4Å; F497-I553 HydrophobicContact CE2-CD1 3.97Å; F497-I553 HydrophobicContact CZ-CD1 3.92Å; F497-I553 HydrophobicContact CZ-CG1 4.39Å; F497-I553 HydrophobicContact CZ-CG2 4.07Å; V499-I553 HydrophobicContact CG1-CD1 4.01Å; V499-I553 HydrophobicContact CG2-CD1 4.08Å; I536-I553 HydrophobicContact CD1-CD1 4.02Å; I536-I553 HydrophobicContact CD1-CG1 3.6Å; I536-I553 HydrophobicContact CG2-CG1 4.41Å; V549-I553 HydrophobicContact CG1-CD1 4.19Å; V549-I553 WeakPolarHBondContact O-CG1 3.46Å; V549-I553 PolarHBondContact O-N 3.08Å; V550-I553 PolarHBondContact O-N 3.24Å; R551-I553 PolarHBondContact O-N 3.38Å; I553-C556 VanDerWaalsContact O-CB 3.31Å; I553-C556 WeakPolarHBondContact O-CB 3.32Å; I553-C556 PolarHBondContact O-N 3.32Å; I553-C556 PolarHBondContact O-SG 2.89Å; I553-L564 HydrophobicContact CG2-CD2 4.28Å
554	R	86.2	Confident	85.5	Confident	172 Å²	172	69.7 Å²	69.7	65%	0.649	35%	0.348	S	S	*	.	H	α-helix	trans	-71.3	-34.1	-178.3	-71.8	177.6	-175.4	-179.3	4.2	113.4	V550 R551 Y552 C556 K557	V550-R554 HydrophobicContact CG1-CG 4.45Å; V550-R554 WeakPolarHBondContact O-CB 3.33Å; V550-R554 VanDerWaalsContact O-CG 3.29Å; V550-R554 WeakPolarHBondContact O-CG 3.37Å; V550-R554 PolarHBondContact O-N 3.5Å; R551-R554 PolarHBondContact O-N 2.81Å; Y552-R554 VanDerWaalsContact C-N 3.33Å; Y552-R554 PolarHBondContact O-N 3.36Å; R554-C556 PolarHBondContact O-N 2.87Å; R554-K557 WeakPolarHBondContact O-CD 3.48Å; R554-K557 WeakPolarHBondContact O-CG 3.38Å; R554-K557 PolarHBondContact O-N 3.42Å
555	S	83.8	Confident	85.6	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	35%	0.349	S	S	.	.	H	α-helix	trans	-69.4	-12.7	178.8	64.5	0	0	0	0	112.7	R551 Y552 K557 E558	R551-S555 WeakPolarHBondContact O-CB 3.48Å; R551-S555 PolarHBondContact O-N 2.86Å; R551-S555 PolarHBondContact O-OG 2.97Å; Y552-S555 WeakPolarHBondContact CA-OG 3.49Å; Y552-S555 PolarHBondContact O-OG 2.92Å; S555-K557 PolarHBondContact O-N 2.97Å; S555-E558 WeakPolarHBondContact O-CB 3.49Å; S555-E558 PolarHBondContact O-N 3.38Å
556	C	77.2	Confident	85.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-62	-21.2	174.3	-62	0	0	0	0	113.2	F495 N537 Y552 I553 R554 E558 T559 L564	F495-C556 HydrophobicContact CE2-CB 4.24Å; F495-C556 HydrophobicContact CZ-CB 4Å; N537-C556 PolarHBondContact ND2-SG 3.09Å; Y552-C556 PolarHBondContact O-SG 3.05Å; I553-C556 VanDerWaalsContact O-CB 3.31Å; I553-C556 WeakPolarHBondContact O-CB 3.32Å; I553-C556 PolarHBondContact O-N 3.32Å; I553-C556 PolarHBondContact O-SG 2.89Å; R554-C556 PolarHBondContact O-N 2.87Å; C556-E558 PolarHBondContact O-N 3Å; C556-T559 PolarHBondContact O-N 3.2Å; C556-T559 PolarHBondContact O-OG1 3.24Å; C556-L564 HydrophobicContact CB-CB 4.49Å; C556-L564 HydrophobicContact CB-CD1 4.4Å; C556-L564 WeakPolarHBondContact SG-CD1 3.49Å
557	K	70.6	Confident	85.8	Confident	118 Å²	118	67.4 Å²	67.4	51%	0.513	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.9	175	76.2	-167.2	174	166.7	0	113.2	R554 S555	R554-K557 WeakPolarHBondContact O-CD 3.48Å; R554-K557 WeakPolarHBondContact O-CG 3.38Å; R554-K557 PolarHBondContact O-N 3.42Å; S555-K557 PolarHBondContact O-N 2.97Å
558	E	71.8	Confident	85.6	Confident	147 Å²	147	61.5 Å²	61.5	69%	0.687	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-95.8	-7.4	-176.6	-68.6	157.8	-151.6	0	0	112.3	S555 C556	S555-E558 WeakPolarHBondContact O-CB 3.49Å; S555-E558 PolarHBondContact O-N 3.38Å; C556-E558 PolarHBondContact O-N 3Å
559	T	71.9	Confident	85	Confident	49 Å²	49	62.2 Å²	62.2	30%	0.301	31%	0.307	S	S	.	.	S	Bend	trans	-76.7	150.1	176.6	64	0	0	0	0	110.9	C556 S561 K562	C556-T559 PolarHBondContact O-N 3.2Å; C556-T559 PolarHBondContact O-OG1 3.24Å; T559-S561 PolarHBondContact O-N 3.28Å; T559-K562 WeakPolarHBondContact O-CG 3.46Å; T559-K562 PolarHBondContact O-N 3.21Å; T559-K562 PolarHBondContact OG1-N 3.23Å
560	A	73.5	Confident	84	Confident	116 Å²	116	63.6 Å²	63.6	96%	0.959	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.7	178.7	0	0	0	0	0	113
561	S	75.4	Confident	82.7	Confident	68 Å²	68	63.7 Å²	63.7	48%	0.476	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-23	177.5	61.3	0	0	0	0	113.5	T559 E563	T559-S561 PolarHBondContact O-N 3.28Å; S561-E563 PolarHBondContact O-N 3.34Å; S561-E563 VanDerWaalsContact O-N 3.15Å; S561-E563 PolarHBondContact OG-N 3.07Å
562	K	80	Confident	80.7	Confident	129 Å²	129	58.5 Å²	58.5	56%	0.561	30%	0.3	S	S	*	.			trans	49.4	30.5	-167.2	-58.9	-174.6	178.9	-178.4	0	113.2	P489 T559	P489-K562 WeakPolarHBondContact CD-O 3.37Å; T559-K562 WeakPolarHBondContact O-CG 3.46Å; T559-K562 PolarHBondContact O-N 3.21Å; T559-K562 PolarHBondContact OG1-N 3.23Å
563	E	86.7	Confident	78.2	Confident	53 Å²	53	59.7 Å²	59.7	25%	0.248	31%	0.305	C	S	.	.			trans	-108.7	140	-180	-79.2	177.8	177.4	0	0	111	R488 N537 S561	R488-E563 HydrophobicContact CG-CG 3.58Å; R488-E563 IonicContact CZ-OE1 2.71Å; R488-E563 IonicContact NE-OE1 3.95Å; R488-E563 PolarHBondContact NE-OE1 3.19Å; R488-E563 IonicContact NH2-OE1 2.65Å; R488-E563 PolarHBondContact NH2-OE1 3.04Å; N537-E563 PolarHBondContact ND2-O 2.92Å; N537-E563 PolarHBondContact OD1-O 3.35Å; S561-E563 PolarHBondContact O-N 3.34Å; S561-E563 VanDerWaalsContact O-N 3.15Å; S561-E563 PolarHBondContact OG-N 3.07Å
564	L	93.3	Very high	75.6	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.4	168.5	177	70	0	0	0	108.6	R486 M487 F495 F497 I536 I553 C556 L566	R486-L564 WeakPolarHBondContact CA-O 3.36Å; M487-L564 HydrophobicContact CG-CB 4.02Å; M487-L564 HydrophobicContact CG-CD2 4.1Å; M487-L564 HydrophobicContact CG-CG 4.42Å; M487-L564 PolarHBondContact N-O 3.26Å; M487-L564 PolarHBondContact O-N 3.14Å; M487-L564 HydrophobicContact SD-CD2 4.03Å; F495-L564 HydrophobicContact CB-CD2 4.44Å; F495-L564 HydrophobicContact CD1-CB 4.02Å; F495-L564 HydrophobicContact CD1-CD2 3.94Å; F495-L564 HydrophobicContact CD2-CD2 3.92Å; F495-L564 HydrophobicContact CE1-CB 3.41Å; F495-L564 VanDerWaalsContact CE1-CB 3.41Å; F495-L564 HydrophobicContact CE1-CD2 4.12Å; F495-L564 HydrophobicContact CE1-CG 4.4Å; F495-L564 HydrophobicContact CE2-CB 4.19Å; F495-L564 HydrophobicContact CE2-CD2 4.12Å; F495-L564 HydrophobicContact CG-CD2 3.82Å; F495-L564 HydrophobicContact CZ-CB 3.53Å; F495-L564 HydrophobicContact CZ-CD2 4.23Å; F495-L564 HydrophobicContact CZ-CG 4.41Å; F497-L564 HydrophobicContact CE1-CD2 3.66Å; F497-L564 HydrophobicContact CZ-CD2 3.8Å; I536-L564 HydrophobicContact CG2-CD1 3.69Å; I553-L564 HydrophobicContact CG2-CD2 4.28Å; C556-L564 HydrophobicContact CB-CB 4.49Å; C556-L564 HydrophobicContact CB-CD1 4.4Å; C556-L564 WeakPolarHBondContact SG-CD1 3.49Å; L564-L566 HydrophobicContact CD1-CD2 3.88Å; L564-L566 HydrophobicContact CD1-CG 4.49Å; L564-L566 HydrophobicContact CD2-CD1 4.22Å; L564-L566 HydrophobicContact CD2-CD2 4.12Å; L564-L566 HydrophobicContact CD2-CG 4.13Å; L564-L566 HydrophobicContact CG-CD2 3.96Å; L564-L566 HydrophobicContact CG-CG 4.04Å
565	L	93.8	Very high	73.4	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.3	171.1	172.3	67.5	0	0	0	108.8	S484 I485 R486 I536 N537 R538	S484-L565 WeakPolarHBondContact OG-CD1 3.4Å; I485-L565 CarbonylContact O-C 3.57Å; I485-L565 WeakPolarHBondContact O-CA 3.48Å; R486-L565 HydrophobicContact CG-CD1 3.6Å; I536-L565 CarbonylContact C-O 3.5Å; I536-L565 WeakPolarHBondContact CA-O 3.47Å; N537-L565 PolarHBondContact N-O 3.09Å; N537-L565 PolarHBondContact OD1-N 3.37Å; R538-L565 HydrophobicContact CG-CD2 4.01Å
566	L	95	Very high	71.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.9	172.6	-57.4	178.3	0	0	0	109.4	S484 I485 M487 F497 L527 V533 A535 I536 L564 V568	S484-L566 WeakPolarHBondContact CA-O 3.45Å; I485-L566 HydrophobicContact CB-CB 4.4Å; I485-L566 PolarHBondContact N-O 2.9Å; I485-L566 PolarHBondContact O-N 3.29Å; M487-L566 HydrophobicContact CE-CD1 4.22Å; F497-L566 HydrophobicContact CE2-CD1 4.37Å; F497-L566 HydrophobicContact CZ-CD1 3.97Å; L527-L566 HydrophobicContact CD1-CD1 3.97Å; L527-L566 HydrophobicContact CD2-CD1 3.94Å; V533-L566 HydrophobicContact CG1-CD2 4.15Å; A535-L566 WeakPolarHBondContact O-CA 3.45Å; I536-L566 HydrophobicContact CB-CD2 4.36Å; I536-L566 HydrophobicContact CD1-CD2 4.38Å; I536-L566 HydrophobicContact CG1-CD2 3.8Å; I536-L566 HydrophobicContact CG2-CD2 4.27Å; L564-L566 HydrophobicContact CD1-CD2 3.88Å; L564-L566 HydrophobicContact CD1-CG 4.49Å; L564-L566 HydrophobicContact CD2-CD1 4.22Å; L564-L566 HydrophobicContact CD2-CD2 4.12Å; L564-L566 HydrophobicContact CD2-CG 4.13Å; L564-L566 HydrophobicContact CG-CD2 3.96Å; L564-L566 HydrophobicContact CG-CG 4.04Å; L566-V568 HydrophobicContact CB-CG1 3.9Å
567	I	94.6	Very high	69.5	Low	33 Å²	33	66.6 Å²	66.6	17%	0.169	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.8	159.9	-54.2	-57.2	0	0	0	106.3	L482 L534 A535	L482-I567 HydrophobicContact CB-CG2 4.1Å; L482-I567 HydrophobicContact CD1-CG2 4.03Å; L534-I567 PolarHBondContact N-O 3.17Å; A535-I567 HydrophobicContact CB-CB 4.01Å; A535-I567 HydrophobicContact CB-CG1 4.08Å; A535-I567 PolarHBondContact N-O 2.95Å; A535-I567 PolarHBondContact O-N 3.48Å
568	V	89.7	Confident	68.5	Low	0 Å²	0	65 Å²	65	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.5	-178.3	-55	0	0	0	0	110.8	V483 I485 L527 D531 Q532 V533 L566 P570	V483-V568 HydrophobicContact CB-CG2 3.99Å; V483-V568 PolarHBondContact N-O 2.91Å; V483-V568 PolarHBondContact O-N 3.18Å; I485-V568 HydrophobicContact CD1-CG2 3.72Å; I485-V568 HydrophobicContact CG1-CG2 4.32Å; L527-V568 HydrophobicContact CD1-CG1 3.94Å; D531-V568 HydrophobicContact CB-CB 4.24Å; D531-V568 HydrophobicContact CB-CG2 4.41Å; Q532-V568 CarbonylContact O-C 3.52Å; Q532-V568 WeakPolarHBondContact O-CA 3.49Å; V533-V568 HydrophobicContact CG2-CG1 4.28Å; L566-V568 HydrophobicContact CB-CG1 3.9Å; V568-P570 WeakPolarHBondContact O-CD 3.35Å
569	R	83	Confident	67.5	Low	87 Å²	87	65.7 Å²	65.7	33%	0.328	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.1	158.6	-179.5	177.8	-65.6	125.1	-0.9	107	D479 L482 Q532 L534	D479-R569 IonicContact OD2-NH2 2.7Å; L482-R569 HydrophobicContact CD2-CB 3.93Å; L482-R569 HydrophobicContact CD2-CG 4.47Å; Q532-R569 HydrophobicContact CB-CB 4.28Å; Q532-R569 PolarHBondContact N-O 2.63Å; Q532-R569 PolarHBondContact O-N 2.89Å; Q532-R569 VanDerWaalsContact OE1-NH1 3.09Å; L534-R569 HydrophobicContact CD1-CB 4.2Å; L534-R569 HydrophobicContact CG-CB 4.48Å
570	P	72.5	Confident	66.7	Low	28 Å²	28	66.9 Å²	66.9	18%	0.182	35%	0.351	C	S	.	.			trans	-55.4	145.2	-179.6	-26.5	35.6	0	0	0	112.2	T481 V483 D531 V568 A572	T481-P570 WeakPolarHBondContact O-CD 3.42Å; V483-P570 HydrophobicContact CB-CG 4.07Å; V483-P570 HydrophobicContact CG2-CG 3.36Å; D531-P570 VanDerWaalsContact OD1-CA 3.3Å; D531-P570 WeakPolarHBondContact OD1-CA 3.19Å; V568-P570 WeakPolarHBondContact O-CD 3.35Å; P570-A572 HydrophobicContact CB-CB 4.35Å; P570-A572 PolarHBondContact O-N 3.44Å
571	N	64.4	Low	65.8	Low	34 Å²	34	63.8 Å²	63.8	18%	0.182	32%	0.321	C	S	.	.	S	Bend	trans	-67.1	-16.6	171.8	-169.5	25.1	0	0	0	112.9	E529 G530 D531 Y573	E529-N571 PolarHBondContact O-ND2 2.98Å; G530-N571 VanDerWaalsContact C-CB 3.49Å; D531-N571 PolarHBondContact OD1-N 2.6Å; N571-Y573 VanDerWaalsContact C-N 3.33Å; N571-Y573 PolarHBondContact O-N 3.27Å
572	A	49.9	Very low	64.7	Low	23 Å²	23	67.3 Å²	67.3	19%	0.19	33%	0.334	C	S	.	.	S	Bend	trans	-58.7	104.1	167.2	0	0	0	0	0	106.9	P570 I574 R649	P570-A572 HydrophobicContact CB-CB 4.35Å; P570-A572 PolarHBondContact O-N 3.44Å; A572-I574 PolarHBondContact O-N 2.88Å; A572-R649 HydrophobicContact CB-CB 4.42Å
573	Y	38	Very low	63.3	Low	111 Å²	111	67.4 Å²	67.4	44%	0.435	34%	0.337	S	S	.	.			trans	-45.2	113.6	165.9	179.4	-100.8	0	0	0	106.8	N571 G575 Y648	N571-Y573 VanDerWaalsContact C-N 3.33Å; N571-Y573 PolarHBondContact O-N 3.27Å; Y573-G575 PolarHBondContact O-N 3.28Å; Y573-Y648 VanDerWaalsContact CB-CE1 3.44Å
574	I	36.7	Very low	61.8	Low	67 Å²	67	71.4 Å²	71.4	34%	0.344	36%	0.355	S	S	.	.			trans	-76.2	110.5	166.3	-63.8	166.4	0	0	0	101.5	T481 A572 E576	T481-I574 HydrophobicContact CG2-CD1 3.53Å; T481-I574 HydrophobicContact CG2-CG2 4.3Å; A572-I574 PolarHBondContact O-N 2.88Å; I574-E576 PolarHBondContact O-N 3.06Å
575	G	39.8	Very low	59.8	Low	13 Å²	13	76.1 Å²	76.1	13%	0.134	37%	0.374	C	S	.	.			trans	-41	144.5	164	0	0	0	0	0	108.9	Y573 D577 D650	Y573-G575 PolarHBondContact O-N 3.28Å; G575-D577 PolarHBondContact O-N 3.1Å; G575-D650 PolarHBondContact N-OD2 2.94Å
576	E	39	Very low	58.1	Low	146 Å²	146	78.9 Å²	78.9	68%	0.682	39%	0.388	S	S	*	.			trans	-46.5	127	158.2	-68.8	175.6	172.7	0	0	105.8	I574 I578	I574-E576 PolarHBondContact O-N 3.06Å; E576-I578 HydrophobicContact CB-CD1 4.14Å; E576-I578 HydrophobicContact CB-CG1 3.77Å; E576-I578 WeakPolarHBondContact O-CG1 3.45Å; E576-I578 PolarHBondContact O-N 3.5Å
577	D	39.3	Very low	56.4	Low	155 Å²	155	79 Å²	79	83%	0.829	39%	0.389	S	S	*	.			trans	-64.2	74.4	172.7	-77.1	-41.6	0	0	0	106.7	G575 E579	G575-D577 PolarHBondContact O-N 3.1Å; D577-E579 PolarHBondContact O-N 3.32Å
578	I	50.4	Low	54.7	Low	84 Å²	84	81.5 Å²	81.5	43%	0.431	40%	0.399	S	S	.	.			trans	-81	102.6	174.6	-62.2	170.4	0	0	0	103.1	E576 E580	E576-I578 HydrophobicContact CB-CD1 4.14Å; E576-I578 HydrophobicContact CB-CG1 3.77Å; E576-I578 WeakPolarHBondContact O-CG1 3.45Å; E576-I578 PolarHBondContact O-N 3.5Å; I578-E580 PolarHBondContact O-N 3.27Å; I578-E580 VanDerWaalsContact O-N 3.17Å
579	E	50.1	Low	53.6	Low	161 Å²	161	82.5 Å²	82.5	75%	0.752	41%	0.406	S	S	*	.			trans	-44.4	121.9	169.3	-165.5	166.6	-152.9	0	0	108.4	D577	D577-E579 PolarHBondContact O-N 3.32Å
580	E	55.6	Low	52.7	Low	75 Å²	75	80 Å²	80	35%	0.35	40%	0.401	S	S	.	.			trans	-64.7	139.6	176.1	-69.1	-155.9	-168.9	0	0	107.9	I578 D582 K628	I578-E580 PolarHBondContact O-N 3.27Å; I578-E580 VanDerWaalsContact O-N 3.17Å; E580-D582 PolarHBondContact O-N 3.41Å; E580-D582 VanDerWaalsContact O-N 3.09Å; E580-K628 VanDerWaalsContact OE1-CD 3.27Å; E580-K628 WeakPolarHBondContact OE1-CD 3.48Å; E580-K628 WeakPolarHBondContact OE1-CE 3.44Å; E580-K628 IonicContact OE1-NZ 3.49Å; E580-K628 PolarHBondContact OE1-NZ 3.19Å
581	P	55.1	Low	53	Low	51 Å²	51	83.8 Å²	83.8	33%	0.331	42%	0.416	S	S	.	.			trans	-53.9	123.7	-179.8	-8.7	11.1	0	0	0	109.9	Q583	P581-Q583 PolarHBondContact O-N 2.94Å
582	D	51.7	Low	53.5	Low	142 Å²	142	82.9 Å²	82.9	76%	0.759	41%	0.412	S	S	*	.	S	Bend	trans	-50.2	-28.4	-179.1	-74.9	-36.3	0	0	0	113.2	E580	E580-D582 PolarHBondContact O-N 3.41Å; E580-D582 VanDerWaalsContact O-N 3.09Å
583	Q	50.8	Low	54.3	Low	130 Å²	130	84.3 Å²	84.3	61%	0.607	42%	0.423	S	S	*	.	S	Bend	trans	-111.1	121.3	-173	-61.2	179.6	-1.2	0	0	109.5	P581 Y585	P581-Q583 PolarHBondContact O-N 2.94Å; Q583-Y585 PolarHBondContact O-N 3.09Å
584	H	54.7	Low	55.6	Low	137 Å²	137	85.3 Å²	85.3	63%	0.634	44%	0.436	S	S	*	.			trans	-67	28.6	171.8	-61.5	94.5	0	0	0	113.4	I586	H584-I586 PolarHBondContact O-N 3.12Å
585	Y	52.4	Low	57	Low	99 Å²	99	86.7 Å²	86.7	39%	0.388	45%	0.451	S	S	.	.			trans	-71.6	112.5	179.9	-177.9	-100.2	0	0	0	109.3	Q583 P587	Q583-Y585 PolarHBondContact O-N 3.09Å; Y585-P587 VanDerWaalsContact O-CD 3.24Å; Y585-P587 WeakPolarHBondContact O-CD 3.16Å
586	I	57.6	Low	58.4	Low	80 Å²	80	86.7 Å²	86.7	41%	0.41	45%	0.448	S	S	.	.			trans	-75	115.5	168.8	-63.1	163.4	0	0	0	106.7	H584 Q588 Y626 K848	H584-I586 PolarHBondContact O-N 3.12Å; I586-Q588 PolarHBondContact O-N 3.29Å; I586-Q588 VanDerWaalsContact O-N 3.15Å; I586-Y626 HydrophobicContact CD1-CE1 4.29Å; I586-Y626 HydrophobicContact CG1-CD1 4.37Å; I586-Y626 HydrophobicContact CG1-CE1 3.9Å; I586-K848 HydrophobicContact CG2-CD 4.1Å
587	P	59	Low	60.2	Low	4 Å²	4	83 Å²	83	3%	0.026	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-60.7	123.2	174.1	-18.5	32.9	0	0	0	108.4	Y585 T589 Y621 K624 L844	Y585-P587 VanDerWaalsContact O-CD 3.24Å; Y585-P587 WeakPolarHBondContact O-CD 3.16Å; P587-T589 PolarHBondContact O-N 2.92Å; P587-Y621 HydrophobicContact CB-CD1 3.81Å; P587-Y621 HydrophobicContact CB-CG 4.17Å; P587-Y621 WeakPolarHBondContact CG-O 3.45Å; P587-K624 HydrophobicContact CG-CB 3.59Å; P587-L844 HydrophobicContact CB-CD2 4.17Å
588	Q	59.6	Low	62.3	Low	84 Å²	84	85.8 Å²	85.8	39%	0.393	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-63.6	130.7	170.8	-68.1	179.7	-2	0	0	107.7	W203 I586	W203-Q588 VanDerWaalsContact CD1-OE1 3.23Å; W203-Q588 WeakPolarHBondContact CH2-O 3.37Å; W203-Q588 HydrophobicContact CZ2-CB 3.65Å; W203-Q588 WeakPolarHBondContact CZ2-O 3.49Å; I586-Q588 PolarHBondContact O-N 3.29Å; I586-Q588 VanDerWaalsContact O-N 3.15Å
589	T	66	Low	63.8	Low	22 Å²	22	86.2 Å²	86.2	14%	0.135	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-84.1	139.7	173.9	-42.1	0	0	0	0	108	P587 H591 Y842 E845	P587-T589 PolarHBondContact O-N 2.92Å; T589-H591 PolarHBondContact O-CE1 3.15Å; T589-H591 PolarHBondContact O-N 2.81Å; T589-H591 VanDerWaalsContact O-N 3.16Å; T589-H591 PolarHBondContact O-ND1 2.99Å; T589-Y842 HydrophobicContact CG2-CD1 4.38Å; T589-E845 WeakPolarHBondContact CB-OE1 3.3Å; T589-E845 PolarHBondContact OG1-OE1 2.72Å
590	P	64.9	Low	65.5	Low	35 Å²	35	81.8 Å²	81.8	23%	0.227	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-58.7	121.9	168.7	-14.8	22.8	0	0	0	110.3	W203	W203-P590 HydrophobicContact CH2-CG 4.04Å; W203-P590 HydrophobicContact CZ3-CB 4.4Å; W203-P590 HydrophobicContact CZ3-CG 3.7Å
591	H	78.9	Confident	67	Low	107 Å²	107	80.3 Å²	80.3	50%	0.495	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-95.1	156.1	175.3	-73.8	68.2	0	0	0	111.3	T589 A593 Y842 E845	T589-H591 PolarHBondContact O-CE1 3.15Å; T589-H591 PolarHBondContact O-N 2.81Å; T589-H591 VanDerWaalsContact O-N 3.16Å; T589-H591 PolarHBondContact O-ND1 2.99Å; H591-A593 PolarHBondContact O-N 3.35Å; H591-Y842 AromaticContact CD2-CE2 3.59Å; H591-Y842 AromaticContact CD2-CZ 3.72Å; H591-E845 IonicContact CE1-OE1 3.34Å; H591-E845 PolarHBondContact CE1-OE1 3.28Å; H591-E845 IonicContact ND1-OE1 3.69Å; H591-E845 IonicContact NE2-OE1 3.89Å; H591-E845 PolarHBondContact NE2-OE1 3.23Å; H591-E845 IonicContact NE2-OE2 3.55Å
592	V	74.4	Confident	68.9	Low	15 Å²	15	78 Å²	78	9%	0.091	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60.2	135.1	166	179.6	0	0	0	0	108.5	V596 I601 Q604 S605 L608 Y842	V592-V596 HydrophobicContact CG1-CB 3.64Å; V592-V596 HydrophobicContact CG1-CG1 3.88Å; V592-V596 HydrophobicContact CG1-CG2 3.62Å; V592-I601 HydrophobicContact CG1-CG1 4.4Å; V592-I601 HydrophobicContact CG1-CG2 4.48Å; V592-I601 HydrophobicContact CG2-CG2 4.5Å; V592-Q604 HydrophobicContact CB-CB 4.41Å; V592-Q604 HydrophobicContact CG1-CB 3.69Å; V592-Q604 HydrophobicContact CG1-CG 4.37Å; V592-Q604 HydrophobicContact CG2-CB 3.78Å; V592-S605 VanDerWaalsContact CG2-N 3.3Å; V592-L608 HydrophobicContact CG2-CD1 3.95Å; V592-Y842 HydrophobicContact CG2-CE1 4.47Å; V592-Y842 WeakPolarHBondContact CG2-OH 3.43Å; V592-Y842 PolarHBondContact N-OH 2.67Å
593	A	66.6	Low	70.7	Confident	52 Å²	52	75.9 Å²	75.9	43%	0.43	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.9	142.1	-179.5	0	0	0	0	0	111.5	H591 C595 V596	H591-A593 PolarHBondContact O-N 3.35Å; A593-C595 PolarHBondContact O-N 3.21Å; A593-V596 HydrophobicContact CB-CG2 4.43Å; A593-V596 WeakPolarHBondContact O-CB 3.4Å; A593-V596 WeakPolarHBondContact O-CG2 3.42Å; A593-V596 PolarHBondContact O-N 2.77Å
594	D	65.9	Low	72.4	Confident	132 Å²	132	70.2 Å²	70.2	71%	0.706	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.3	-178.2	-57	-37.5	0	0	0	113.8	V596	D594-V596 VanDerWaalsContact C-N 3.28Å; D594-V596 PolarHBondContact O-N 3.49Å
595	C	66.1	Low	74.2	Confident	97 Å²	97	63.7 Å²	63.7	66%	0.655	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8	177.5	64.8	0	0	0	0	114.2	A593	A593-C595 PolarHBondContact O-N 3.21Å
596	V	69.3	Low	76.2	Confident	13 Å²	13	59.3 Å²	59.3	8%	0.079	31%	0.312	C	S	.	.	S	Bend	trans	-75	126.1	179	175.2	0	0	0	0	109.4	V230 V592 A593 D594 D600 I601 Q604	V230-V596 HydrophobicContact CG1-CG2 4.32Å; V230-V596 HydrophobicContact CG2-CG2 4.15Å; V592-V596 HydrophobicContact CG1-CB 3.64Å; V592-V596 HydrophobicContact CG1-CG1 3.88Å; V592-V596 HydrophobicContact CG1-CG2 3.62Å; A593-V596 HydrophobicContact CB-CG2 4.43Å; A593-V596 WeakPolarHBondContact O-CB 3.4Å; A593-V596 WeakPolarHBondContact O-CG2 3.42Å; A593-V596 PolarHBondContact O-N 2.77Å; D594-V596 VanDerWaalsContact C-N 3.28Å; D594-V596 PolarHBondContact O-N 3.49Å; V596-D600 HydrophobicContact CG1-CB 3.72Å; V596-I601 HydrophobicContact CB-CG1 4.43Å; V596-I601 HydrophobicContact CG1-CG1 4Å; V596-Q604 HydrophobicContact CG1-CB 4.35Å; V596-Q604 HydrophobicContact CG1-CG 3.69Å; V596-Q604 HydrophobicContact CG2-CG 4.16Å
597	P	76.9	Confident	77.5	Confident	69 Å²	69	56.5 Å²	56.5	45%	0.448	30%	0.298	S	S	.	.			trans	-58.1	143	175.5	-23.5	34	0	0	0	111.9	P599 D600 I601	P597-P599 VanDerWaalsContact C-CD 3.44Å; P597-P599 VanDerWaalsContact C-N 3.35Å; P597-P599 VanDerWaalsContact O-N 3.16Å; P597-D600 PolarHBondContact O-N 3.16Å; P597-I601 PolarHBondContact O-N 3Å
598	R	82.3	Confident	78.8	Confident	213 Å²	213	58.3 Å²	58.3	80%	0.804	31%	0.307	S	S	*	.	H	α-helix	trans	-45.6	-47.3	-178.7	-79.7	-171.4	174.1	-165.9	-2.5	114.7	D600 I601	R598-D600 PolarHBondContact O-N 3.46Å; R598-D600 VanDerWaalsContact O-N 3.08Å; R598-I601 HydrophobicContact CB-CD1 4.49Å; R598-I601 HydrophobicContact CG-CD1 4.19Å; R598-I601 WeakPolarHBondContact O-CB 3.49Å; R598-I601 PolarHBondContact O-N 3.41Å; R598-I601 VanDerWaalsContact O-N 3.12Å
599	P	82.8	Confident	80.4	Confident	93 Å²	93	54.7 Å²	54.7	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-21	-179.6	-24.3	35.5	0	0	0	114.5	P597	P597-P599 VanDerWaalsContact C-CD 3.44Å; P597-P599 VanDerWaalsContact C-N 3.35Å; P597-P599 VanDerWaalsContact O-N 3.16Å
600	D	84.2	Confident	81.4	Confident	68 Å²	68	57.1 Å²	57.1	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-95.8	-10.7	-178.6	-71.1	-47.2	0	0	0	113.2	V596 P597 R598 L602 R603 Q604	V596-D600 HydrophobicContact CG1-CB 3.72Å; P597-D600 PolarHBondContact O-N 3.16Å; R598-D600 PolarHBondContact O-N 3.46Å; R598-D600 VanDerWaalsContact O-N 3.08Å; D600-L602 PolarHBondContact O-N 2.77Å; D600-R603 PolarHBondContact O-N 3.47Å; D600-Q604 WeakPolarHBondContact O-CG 3.12Å; D600-Q604 PolarHBondContact O-N 2.96Å
601	I	88.8	Confident	82.2	Confident	43 Å²	43	55.9 Å²	55.9	22%	0.221	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-50.5	-171	-70.8	178	0	0	0	111.9	V592 V596 P597 R598 R603 Q604 S605 P840	V592-I601 HydrophobicContact CG1-CG1 4.4Å; V592-I601 HydrophobicContact CG1-CG2 4.48Å; V592-I601 HydrophobicContact CG2-CG2 4.5Å; V596-I601 HydrophobicContact CB-CG1 4.43Å; V596-I601 HydrophobicContact CG1-CG1 4Å; P597-I601 PolarHBondContact O-N 3Å; R598-I601 HydrophobicContact CB-CD1 4.49Å; R598-I601 HydrophobicContact CG-CD1 4.19Å; R598-I601 WeakPolarHBondContact O-CB 3.49Å; R598-I601 PolarHBondContact O-N 3.41Å; R598-I601 VanDerWaalsContact O-N 3.12Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 3.15Å; I601-Q604 PolarHBondContact O-N 3.17Å; I601-Q604 VanDerWaalsContact O-N 3.15Å; I601-S605 PolarHBondContact O-N 2.85Å; I601-P840 HydrophobicContact CG2-CB 3.59Å; I601-P840 HydrophobicContact CG2-CG 3.66Å
602	L	93.2	Very high	82.4	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-50.4	176.3	166.9	61.3	0	0	0	110.6	D600 Q604 S605 L606 I835 E839 I841 Y875 P881	D600-L602 PolarHBondContact O-N 2.77Å; L602-Q604 VanDerWaalsContact C-N 3.28Å; L602-Q604 PolarHBondContact O-N 2.81Å; L602-S605 PolarHBondContact O-N 2.88Å; L602-S605 PolarHBondContact O-OG 3.2Å; L602-L606 HydrophobicContact CD1-CD1 3.86Å; L602-L606 HydrophobicContact CD1-CG 4.07Å; L602-L606 HydrophobicContact CG-CD1 4.29Å; L602-L606 WeakPolarHBondContact O-CG 3.45Å; L602-L606 PolarHBondContact O-N 3.5Å; L602-L606 VanDerWaalsContact O-N 3.1Å; L602-I835 HydrophobicContact CD1-CG1 4.38Å; L602-I835 HydrophobicContact CD2-CG2 4.32Å; L602-E839 WeakPolarHBondContact CD1-O 3.48Å; L602-I841 HydrophobicContact CD1-CD1 3.9Å; L602-I841 HydrophobicContact CD1-CG1 4.03Å; L602-Y875 HydrophobicContact CD2-CD2 4.25Å; L602-Y875 HydrophobicContact CD2-CE2 3.82Å; L602-Y875 HydrophobicContact CG-CE2 4.15Å; L602-P881 HydrophobicContact CD2-CG 3.82Å
603	R	91.2	Very high	83	Confident	98 Å²	98	52.5 Å²	52.5	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-40.3	179.8	-173.5	-178.7	179.4	-74.2	-7.3	111.7	T232 D600 I601 I607	T232-R603 PolarHBondContact O-NH1 2.89Å; T232-R603 PolarHBondContact O-NH2 3.26Å; D600-R603 PolarHBondContact O-N 3.47Å; I601-R603 VanDerWaalsContact C-N 3.33Å; I601-R603 PolarHBondContact O-N 3.15Å; R603-I607 HydrophobicContact CG-CD1 4.44Å; R603-I607 VanDerWaalsContact NH1-CD1 3.26Å; R603-I607 WeakPolarHBondContact O-CG1 3.48Å; R603-I607 PolarHBondContact O-N 2.82Å; R603-I607 VanDerWaalsContact O-N 3.15Å
604	Q	85.9	Confident	83.5	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-40.9	177.1	-72.2	-53.1	-41.3	0	0	112.6	V230 K231 V592 V596 D600 I601 L602 L606 I607 L608	V230-Q604 VanDerWaalsContact CG1-CD 3.41Å; V230-Q604 HydrophobicContact CG1-CG 3.93Å; K231-Q604 VanDerWaalsContact O-CD 3.29Å; K231-Q604 PolarHBondContact O-NE2 3.12Å; K231-Q604 PolarHBondContact O-OE1 2.84Å; V592-Q604 HydrophobicContact CB-CB 4.41Å; V592-Q604 HydrophobicContact CG1-CB 3.69Å; V592-Q604 HydrophobicContact CG1-CG 4.37Å; V592-Q604 HydrophobicContact CG2-CB 3.78Å; V596-Q604 HydrophobicContact CG1-CB 4.35Å; V596-Q604 HydrophobicContact CG1-CG 3.69Å; V596-Q604 HydrophobicContact CG2-CG 4.16Å; D600-Q604 WeakPolarHBondContact O-CG 3.12Å; D600-Q604 PolarHBondContact O-N 2.96Å; I601-Q604 PolarHBondContact O-N 3.17Å; I601-Q604 VanDerWaalsContact O-N 3.15Å; L602-Q604 VanDerWaalsContact C-N 3.28Å; L602-Q604 PolarHBondContact O-N 2.81Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 2.96Å; Q604-I607 WeakPolarHBondContact O-CB 3.14Å; Q604-I607 PolarHBondContact O-N 2.82Å; Q604-I607 VanDerWaalsContact O-N 3.15Å; Q604-L608 WeakPolarHBondContact O-CG 3.45Å; Q604-L608 PolarHBondContact O-N 2.99Å
605	S	93.1	Very high	83.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-40.3	177.4	73.7	0	0	0	0	111.6	V592 I601 L602 I607 L608 L609 P840 I841	V592-S605 VanDerWaalsContact CG2-N 3.3Å; I601-S605 PolarHBondContact O-N 2.85Å; L602-S605 PolarHBondContact O-N 2.88Å; L602-S605 PolarHBondContact O-OG 3.2Å; S605-I607 PolarHBondContact O-N 3.32Å; S605-L608 WeakPolarHBondContact O-CB 3.47Å; S605-L608 PolarHBondContact O-N 2.78Å; S605-L609 PolarHBondContact O-N 2.81Å; S605-P840 WeakPolarHBondContact OG-CA 3.27Å; S605-I841 PolarHBondContact OG-N 2.76Å
606	L	94.1	Very high	84.4	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-30.8	176.8	-64.5	175.1	0	0	0	112.9	L602 Q604 L609 K610 I841 I871 L872 Y875	L602-L606 HydrophobicContact CD1-CD1 3.86Å; L602-L606 HydrophobicContact CD1-CG 4.07Å; L602-L606 HydrophobicContact CG-CD1 4.29Å; L602-L606 WeakPolarHBondContact O-CG 3.45Å; L602-L606 PolarHBondContact O-N 3.5Å; L602-L606 VanDerWaalsContact O-N 3.1Å; Q604-L606 VanDerWaalsContact C-N 3.3Å; Q604-L606 PolarHBondContact O-N 2.96Å; L606-L609 HydrophobicContact CD2-CD2 4.43Å; L606-K610 WeakPolarHBondContact O-CB 3.39Å; L606-K610 PolarHBondContact O-N 2.77Å; L606-I841 HydrophobicContact CD2-CB 4.37Å; L606-I841 HydrophobicContact CD2-CD1 4.41Å; L606-I871 HydrophobicContact CD2-CG2 3.8Å; L606-L872 HydrophobicContact CB-CD2 4.14Å; L606-L872 HydrophobicContact CD2-CD2 4.29Å; L606-L872 WeakPolarHBondContact O-CD2 3.16Å; L606-Y875 HydrophobicContact CD1-CD1 3.31Å; L606-Y875 HydrophobicContact CD1-CD2 3.51Å; L606-Y875 HydrophobicContact CD1-CE1 3.72Å; L606-Y875 HydrophobicContact CD1-CE2 3.91Å; L606-Y875 HydrophobicContact CD1-CG 3.17Å
607	I	85.3	Confident	84.8	Confident	20 Å²	20	44.3 Å²	44.3	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-41.6	170.6	-72	169.6	0	0	0	110.5	K231 T232 R603 Q604 S605 K610 D611	K231-I607 HydrophobicContact CD-CG2 4.36Å; K231-I607 HydrophobicContact CG-CG2 4.43Å; T232-I607 WeakPolarHBondContact O-CD1 3.03Å; R603-I607 HydrophobicContact CG-CD1 4.44Å; R603-I607 VanDerWaalsContact NH1-CD1 3.26Å; R603-I607 WeakPolarHBondContact O-CG1 3.48Å; R603-I607 PolarHBondContact O-N 2.82Å; R603-I607 VanDerWaalsContact O-N 3.15Å; Q604-I607 WeakPolarHBondContact O-CB 3.14Å; Q604-I607 PolarHBondContact O-N 2.82Å; Q604-I607 VanDerWaalsContact O-N 3.15Å; S605-I607 PolarHBondContact O-N 3.32Å; I607-K610 PolarHBondContact O-N 3.26Å; I607-D611 WeakPolarHBondContact O-CB 3.46Å; I607-D611 PolarHBondContact O-N 3.11Å
608	L	86.1	Confident	85.1	Confident	43 Å²	43	41.2 Å²	41.2	23%	0.225	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-45.1	174.4	-68.8	174.9	0	0	0	111.3	V592 Q604 S605 K610 D611 S612	V592-L608 HydrophobicContact CG2-CD1 3.95Å; Q604-L608 WeakPolarHBondContact O-CG 3.45Å; Q604-L608 PolarHBondContact O-N 2.99Å; S605-L608 WeakPolarHBondContact O-CB 3.47Å; S605-L608 PolarHBondContact O-N 2.78Å; L608-K610 PolarHBondContact O-N 2.91Å; L608-D611 PolarHBondContact O-N 2.87Å; L608-S612 WeakPolarHBondContact O-CB 3.24Å; L608-S612 PolarHBondContact O-N 2.96Å; L608-S612 PolarHBondContact O-OG 3.46Å
609	L	91.7	Very high	85.3	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-45.6	175.5	178.1	57.5	0	0	0	112.2	S605 L606 D611 S612 L613 P843 C868 I871 L872	S605-L609 PolarHBondContact O-N 2.81Å; L606-L609 HydrophobicContact CD2-CD2 4.43Å; L609-D611 VanDerWaalsContact C-N 3.32Å; L609-D611 PolarHBondContact O-N 2.72Å; L609-S612 WeakPolarHBondContact CA-OG 3.46Å; L609-S612 PolarHBondContact O-N 2.82Å; L609-S612 PolarHBondContact O-OG 3.37Å; L609-L613 HydrophobicContact CD1-CD1 4.42Å; L609-L613 HydrophobicContact CD1-CG 4.42Å; L609-L613 HydrophobicContact CG-CD1 4.39Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.07Å; L609-P843 HydrophobicContact CD1-CG 3.74Å; L609-P843 HydrophobicContact CD2-CG 3.71Å; L609-P843 HydrophobicContact CG-CG 4.34Å; L609-C868 HydrophobicContact CD1-CB 3.98Å; L609-I871 HydrophobicContact CD2-CB 4.4Å; L609-I871 HydrophobicContact CD2-CG2 4.07Å; L609-L872 HydrophobicContact CD2-CD2 4.29Å; L609-L872 HydrophobicContact CD2-CG 4.3Å
610	K	88.2	Confident	85.1	Confident	74 Å²	74	31.4 Å²	31.4	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-62.3	-41.1	177.8	-176.7	176.3	-176.9	171.5	0	112.2	L606 I607 L608 A614 L872	L606-K610 WeakPolarHBondContact O-CB 3.39Å; L606-K610 PolarHBondContact O-N 2.77Å; I607-K610 PolarHBondContact O-N 3.26Å; L608-K610 PolarHBondContact O-N 2.91Å; K610-A614 WeakPolarHBondContact O-CB 3.36Å; K610-A614 PolarHBondContact O-N 3.12Å; K610-A614 VanDerWaalsContact O-N 3.09Å; K610-L872 HydrophobicContact CB-CD1 4.03Å; K610-L872 HydrophobicContact CB-CD2 4.27Å; K610-L872 HydrophobicContact CG-CD1 4.33Å
611	D	81.6	Confident	85	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-70.7	-37.4	179.5	-75.9	0.5	0	0	0	111.6	F221 K231 T234 I607 L608 L609 A614 S615	F221-D611 HydrophobicContact CE2-CB 4.2Å; F221-D611 HydrophobicContact CZ-CB 4.46Å; K231-D611 WeakPolarHBondContact CE-OD2 2.78Å; K231-D611 IonicContact NZ-OD2 2.58Å; K231-D611 PolarHBondContact NZ-OD2 3.21Å; T234-D611 WeakPolarHBondContact CB-OD1 3.24Å; T234-D611 WeakPolarHBondContact CG2-OD1 3.41Å; T234-D611 VanDerWaalsContact OG1-CG 3.31Å; T234-D611 PolarHBondContact OG1-OD1 2.97Å; T234-D611 PolarHBondContact OG1-OD2 3.1Å; I607-D611 WeakPolarHBondContact O-CB 3.46Å; I607-D611 PolarHBondContact O-N 3.11Å; L608-D611 PolarHBondContact O-N 2.87Å; L609-D611 VanDerWaalsContact C-N 3.32Å; L609-D611 PolarHBondContact O-N 2.72Å; D611-A614 PolarHBondContact O-N 2.93Å; D611-S615 WeakPolarHBondContact O-CB 3.13Å; D611-S615 PolarHBondContact O-N 2.76Å; D611-S615 PolarHBondContact O-OG 3.08Å
612	S	82.1	Confident	84.9	Confident	17 Å²	17	28.5 Å²	28.5	12%	0.119	16%	0.156	C	C	.	.	H	α-helix	trans	-69.9	-33.7	177	66.9	0	0	0	0	112.8	L608 L609 S615 G616 S617 A618	L608-S612 WeakPolarHBondContact O-CB 3.24Å; L608-S612 PolarHBondContact O-N 2.96Å; L608-S612 PolarHBondContact O-OG 3.46Å; L609-S612 WeakPolarHBondContact CA-OG 3.46Å; L609-S612 PolarHBondContact O-N 2.82Å; L609-S612 PolarHBondContact O-OG 3.37Å; S612-S615 WeakPolarHBondContact CA-OG 3.47Å; S612-S615 PolarHBondContact O-OG 3.33Å; S612-S615 VanDerWaalsContact O-OG 3.14Å; S612-G616 CarbonylContact O-C 3.46Å; S612-G616 PolarHBondContact O-N 2.79Å; S612-S617 WeakPolarHBondContact CA-OG 2.97Å; S612-S617 WeakPolarHBondContact CB-OG 3.48Å; S612-S617 PolarHBondContact O-N 2.77Å; S612-S617 VanDerWaalsContact O-N 3.07Å; S612-A618 PolarHBondContact O-N 2.91Å
613	L	86.8	Confident	84.4	Confident	33 Å²	33	33 Å²	33	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-42	168.8	-74.6	171.2	0	0	0	111.4	L609 G616 A618 K865 C868 E869 L872	L609-L613 HydrophobicContact CD1-CD1 4.42Å; L609-L613 HydrophobicContact CD1-CG 4.42Å; L609-L613 HydrophobicContact CG-CD1 4.39Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.07Å; L613-G616 PolarHBondContact O-N 2.8Å; L613-A618 HydrophobicContact CD2-CB 4.04Å; L613-A618 HydrophobicContact CG-CB 4.41Å; L613-K865 HydrophobicContact CD2-CG 4.18Å; L613-C868 HydrophobicContact CD1-CB 3.65Å; L613-C868 HydrophobicContact CD2-CB 3.75Å; L613-C868 HydrophobicContact CG-CB 4.09Å; L613-E869 HydrophobicContact CD1-CG 4.09Å; L613-L872 HydrophobicContact CD1-CD1 3.81Å
614	A	78.6	Confident	84	Confident	44 Å²	44	33.1 Å²	33.1	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-73.1	-32.7	-177.8	0	0	0	0	0	113.8	L236 K610 D611 G616	L236-A614 HydrophobicContact CD1-CB 3.57Å; L236-A614 HydrophobicContact CD2-CB 3.33Å; L236-A614 HydrophobicContact CG-CB 4.07Å; K610-A614 WeakPolarHBondContact O-CB 3.36Å; K610-A614 PolarHBondContact O-N 3.12Å; K610-A614 VanDerWaalsContact O-N 3.09Å; D611-A614 PolarHBondContact O-N 2.93Å; A614-G616 VanDerWaalsContact C-N 3.31Å
615	S	73.9	Confident	83.9	Confident	29 Å²	29	32.6 Å²	32.6	20%	0.203	18%	0.181	C	C	.	.	H	α-helix	trans	-78.7	-16	174.8	67.3	0	0	0	0	113.1	D611 S612 S617	D611-S615 WeakPolarHBondContact O-CB 3.13Å; D611-S615 PolarHBondContact O-N 2.76Å; D611-S615 PolarHBondContact O-OG 3.08Å; S612-S615 WeakPolarHBondContact CA-OG 3.47Å; S612-S615 PolarHBondContact O-OG 3.33Å; S612-S615 VanDerWaalsContact O-OG 3.14Å; S615-S617 VanDerWaalsContact C-N 3.26Å; S615-S617 WeakPolarHBondContact OG-CB 3.32Å; S615-S617 PolarHBondContact OG-N 3.2Å; S615-S617 PolarHBondContact OG-OG 3.3Å
616	G	75.6	Confident	83.5	Confident	34 Å²	34	33.5 Å²	33.5	35%	0.351	19%	0.185	S	C	.	.	S	Bend	trans	82.1	-5.1	-171.7	0	0	0	0	0	114.2	S612 L613 A614 A618 L619 L620	S612-G616 CarbonylContact O-C 3.46Å; S612-G616 PolarHBondContact O-N 2.79Å; L613-G616 PolarHBondContact O-N 2.8Å; A614-G616 VanDerWaalsContact C-N 3.31Å; G616-A618 VanDerWaalsContact C-N 3.29Å; G616-A618 PolarHBondContact O-N 2.93Å; G616-L619 PolarHBondContact O-N 3.4Å; G616-L620 PolarHBondContact O-N 3.28Å
617	S	78.1	Confident	83.2	Confident	16 Å²	16	35 Å²	35	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-30.5	-176.5	65.9	0	0	0	0	112.9	S612 S615 L619 L620 Y621	S612-S617 WeakPolarHBondContact CA-OG 2.97Å; S612-S617 WeakPolarHBondContact CB-OG 3.48Å; S612-S617 PolarHBondContact O-N 2.77Å; S612-S617 VanDerWaalsContact O-N 3.07Å; S615-S617 VanDerWaalsContact C-N 3.26Å; S615-S617 WeakPolarHBondContact OG-CB 3.32Å; S615-S617 PolarHBondContact OG-N 3.2Å; S615-S617 PolarHBondContact OG-OG 3.3Å; S617-L619 PolarHBondContact O-N 3.44Å; S617-L620 PolarHBondContact O-N 3.15Å; S617-Y621 WeakPolarHBondContact O-CD2 3.41Å; S617-Y621 VanDerWaalsContact O-CG 3.23Å; S617-Y621 PolarHBondContact O-N 2.86Å
618	A	84.3	Confident	83.3	Confident	3 Å²	3	37 Å²	37	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-55.3	-41	175.6	0	0	0	0	0	112.3	S612 L613 G616 F622 Y864	S612-A618 PolarHBondContact O-N 2.91Å; L613-A618 HydrophobicContact CD2-CB 4.04Å; L613-A618 HydrophobicContact CG-CB 4.41Å; G616-A618 VanDerWaalsContact C-N 3.29Å; G616-A618 PolarHBondContact O-N 2.93Å; A618-F622 PolarHBondContact O-N 3.46Å; A618-F622 VanDerWaalsContact O-N 3.1Å; A618-Y864 HydrophobicContact CB-CE1 4.31Å; A618-Y864 WeakPolarHBondContact O-CE1 3.46Å
619	L	85.8	Confident	83.4	Confident	49 Å²	49	35.5 Å²	35.5	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-74.9	-42.4	-180	-62.4	174.2	0	0	0	111.3	G616 S617 Y621 F622 D623 A861 Y864 K865	G616-L619 PolarHBondContact O-N 3.4Å; S617-L619 PolarHBondContact O-N 3.44Å; L619-Y621 VanDerWaalsContact C-N 3.25Å; L619-Y621 PolarHBondContact O-N 3.48Å; L619-F622 WeakPolarHBondContact O-CB 3.5Å; L619-F622 PolarHBondContact O-N 3.11Å; L619-F622 VanDerWaalsContact O-N 3.09Å; L619-D623 PolarHBondContact O-N 3.16Å; L619-A861 HydrophobicContact CD2-CB 3.95Å; L619-A861 WeakPolarHBondContact CD2-O 3.41Å; L619-Y864 HydrophobicContact CD2-CD1 4.2Å; L619-K865 HydrophobicContact CD1-CD 4.49Å; L619-K865 HydrophobicContact CD2-CB 3.79Å
620	L	78.7	Confident	82.8	Confident	51 Å²	51	38.5 Å²	38.5	27%	0.267	21%	0.211	S	C	.	.	H	α-helix	trans	-56.6	-40.9	174.9	-172.7	75.8	0	0	0	111.9	G616 S617 K624	G616-L620 PolarHBondContact O-N 3.28Å; S617-L620 PolarHBondContact O-N 3.15Å; L620-K624 WeakPolarHBondContact O-CG 3.46Å; L620-K624 PolarHBondContact O-N 2.7Å
621	Y	82.9	Confident	82.6	Confident	45 Å²	45	42.7 Å²	42.7	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-71.5	-37.9	176.5	-58.7	-43	0	0	0	112.4	W203 P587 S617 L619 D623 K624 L625	W203-Y621 HydrophobicContact CH2-CE1 4.05Å; W203-Y621 HydrophobicContact CH2-CE2 4.1Å; W203-Y621 AromaticContact CH2-CZ 3.52Å; W203-Y621 WeakPolarHBondContact CH2-OH 3.15Å; W203-Y621 WeakPolarHBondContact CZ3-OH 3.34Å; P587-Y621 HydrophobicContact CB-CD1 3.81Å; P587-Y621 HydrophobicContact CB-CG 4.17Å; P587-Y621 WeakPolarHBondContact CG-O 3.45Å; S617-Y621 WeakPolarHBondContact O-CD2 3.41Å; S617-Y621 VanDerWaalsContact O-CG 3.23Å; S617-Y621 PolarHBondContact O-N 2.86Å; L619-Y621 VanDerWaalsContact C-N 3.25Å; L619-Y621 PolarHBondContact O-N 3.48Å; Y621-D623 VanDerWaalsContact C-N 3.34Å; Y621-D623 PolarHBondContact O-N 3.04Å; Y621-K624 PolarHBondContact O-N 2.91Å; Y621-L625 PolarHBondContact O-N 3.45Å
622	F	86	Confident	83	Confident	6 Å²	6	44 Å²	44	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-42.6	174.7	174.3	-93.4	0	0	0	112.4	A618 L619 K624 L625 L844 V847 I858 A861 Y864	A618-F622 PolarHBondContact O-N 3.46Å; A618-F622 VanDerWaalsContact O-N 3.1Å; L619-F622 WeakPolarHBondContact O-CB 3.5Å; L619-F622 PolarHBondContact O-N 3.11Å; L619-F622 VanDerWaalsContact O-N 3.09Å; F622-K624 VanDerWaalsContact C-N 3.26Å; F622-K624 PolarHBondContact O-N 3.36Å; F622-L625 WeakPolarHBondContact O-CB 3.49Å; F622-L625 PolarHBondContact O-N 2.89Å; F622-L844 HydrophobicContact CB-CD1 4.18Å; F622-V847 HydrophobicContact CE2-CG1 4.26Å; F622-I858 HydrophobicContact CE2-CB 4.28Å; F622-I858 HydrophobicContact CE2-CG2 3.88Å; F622-I858 HydrophobicContact CZ-CG2 3.92Å; F622-A861 HydrophobicContact CD1-CB 4.18Å; F622-A861 HydrophobicContact CE1-CB 4.4Å; F622-Y864 HydrophobicContact CB-CD1 3.52Å; F622-Y864 HydrophobicContact CB-CE1 3.72Å; F622-Y864 HydrophobicContact CB-CG 4Å; F622-Y864 HydrophobicContact CD1-CG 4.41Å; F622-Y864 AromaticContact CD2-CD1 3.83Å; F622-Y864 HydrophobicContact CD2-CD1 3.83Å; F622-Y864 AromaticContact CD2-CD2 3.48Å; F622-Y864 HydrophobicContact CD2-CD2 3.48Å; F622-Y864 VanDerWaalsContact CD2-CD2 3.48Å; F622-Y864 HydrophobicContact CD2-CE1 4.36Å; F622-Y864 HydrophobicContact CD2-CE2 4.05Å; F622-Y864 AromaticContact CD2-CG 3.34Å; F622-Y864 HydrophobicContact CD2-CG 3.34Å; F622-Y864 AromaticContact CE2-CD2 3.92Å; F622-Y864 HydrophobicContact CE2-CD2 3.92Å; F622-Y864 AromaticContact CE2-CG 3.87Å; F622-Y864 HydrophobicContact CE2-CG 3.87Å; F622-Y864 AromaticContact CG-CD1 3.7Å; F622-Y864 HydrophobicContact CG-CD1 3.7Å; F622-Y864 HydrophobicContact CG-CD2 4.22Å; F622-Y864 HydrophobicContact CG-CE1 4.29Å; F622-Y864 AromaticContact CG-CG 3.64Å; F622-Y864 HydrophobicContact CG-CG 3.64Å
623	D	82.8	Confident	83.6	Confident	97 Å²	97	46.9 Å²	46.9	52%	0.519	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-29.4	179.5	-67.7	-22.9	0	0	0	112.2	L619 Y621	L619-D623 PolarHBondContact O-N 3.16Å; Y621-D623 VanDerWaalsContact C-N 3.34Å; Y621-D623 PolarHBondContact O-N 3.04Å
624	K	81.8	Confident	83.9	Confident	99 Å²	99	46.6 Å²	46.6	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-80.3	-20.1	174.1	-72	-177.4	178.9	-170.9	0	113.9	P587 L620 Y621 F622 Y626	P587-K624 HydrophobicContact CG-CB 3.59Å; L620-K624 WeakPolarHBondContact O-CG 3.46Å; L620-K624 PolarHBondContact O-N 2.7Å; Y621-K624 PolarHBondContact O-N 2.91Å; F622-K624 VanDerWaalsContact C-N 3.26Å; F622-K624 PolarHBondContact O-N 3.36Å; K624-Y626 PolarHBondContact O-N 2.82Å
625	L	84.8	Confident	84.7	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-69.5	127.2	179.3	178.5	66.3	0	0	0	109.8	Y621 F622 R627 L844 V847 K848 R851	Y621-L625 PolarHBondContact O-N 3.45Å; F622-L625 WeakPolarHBondContact O-CB 3.49Å; F622-L625 PolarHBondContact O-N 2.89Å; L625-R627 PolarHBondContact O-N 3.49Å; L625-L844 HydrophobicContact CB-CD1 4.13Å; L625-L844 HydrophobicContact CD2-CD1 3.88Å; L625-L844 HydrophobicContact CD2-CG 4.34Å; L625-V847 HydrophobicContact CD2-CB 4.27Å; L625-V847 HydrophobicContact CD2-CG1 3.8Å; L625-K848 HydrophobicContact CD1-CB 3.97Å; L625-K848 HydrophobicContact CD1-CD 4.44Å; L625-K848 HydrophobicContact CD1-CG 4.01Å; L625-K848 HydrophobicContact CD2-CB 4.2Å; L625-R851 PolarHBondContact O-NH1 3.39Å; L625-R851 VanDerWaalsContact O-NH1 3.08Å
626	Y	84.1	Confident	85.8	Confident	19 Å²	19	48.7 Å²	48.7	8%	0.075	26%	0.26	C	S	.	.			trans	-52	143	178.7	58.6	-102.9	0	0	0	112.1	I586 K624 K628 K848 R851 D852	I586-Y626 HydrophobicContact CD1-CE1 4.29Å; I586-Y626 HydrophobicContact CG1-CD1 4.37Å; I586-Y626 HydrophobicContact CG1-CE1 3.9Å; K624-Y626 PolarHBondContact O-N 2.82Å; Y626-K628 VanDerWaalsContact CD2-C 3.4Å; Y626-K628 WeakPolarHBondContact CD2-O 3.46Å; Y626-K848 HydrophobicContact CE1-CG 4.46Å; Y626-K848 WeakPolarHBondContact OH-CE 3.45Å; Y626-K848 WeakPolarHBondContact OH-CG 3.46Å; Y626-K848 PolarHBondContact OH-NZ 3.17Å; Y626-R851 VanDerWaalsContact O-CD 3.26Å; Y626-R851 WeakPolarHBondContact O-CD 3.28Å; Y626-R851 PolarHBondContact O-NH1 3.2Å; Y626-D852 WeakPolarHBondContact CE2-OD1 3.36Å; Y626-D852 PolarHBondContact OH-OD1 3.17Å; Y626-D852 PolarHBondContact OH-OD2 3Å; Y626-D852 VanDerWaalsContact OH-OD2 3.11Å
627	R	87.7	Confident	86.6	Confident	38 Å²	38	47.1 Å²	47.1	14%	0.143	24%	0.243	C	C	.	.	S	Bend	trans	-81.7	-31.9	177.5	-67.6	-177.9	68.6	86.4	0.7	111.4	L625 M856 Q859	L625-R627 PolarHBondContact O-N 3.49Å; R627-M856 HydrophobicContact CB-CG 4.05Å; R627-M856 PolarHBondContact O-N 2.94Å; R627-Q859 PolarHBondContact NH1-O 3.27Å
628	K	87.6	Confident	87.1	Confident	61 Å²	61	52.3 Å²	52.3	27%	0.265	26%	0.264	S	S	.	.	S	Bend	trans	-126.9	135.4	176.7	-62.7	159.5	-168.1	144.9	0	109.8	E580 Y626 M634 Y654 A855	E580-K628 VanDerWaalsContact OE1-CD 3.27Å; E580-K628 WeakPolarHBondContact OE1-CD 3.48Å; E580-K628 WeakPolarHBondContact OE1-CE 3.44Å; E580-K628 IonicContact OE1-NZ 3.49Å; E580-K628 PolarHBondContact OE1-NZ 3.19Å; Y626-K628 VanDerWaalsContact CD2-C 3.4Å; Y626-K628 WeakPolarHBondContact CD2-O 3.46Å; K628-M634 HydrophobicContact CD-CE 3.64Å; K628-M634 HydrophobicContact CG-CE 4.24Å; K628-Y654 WeakPolarHBondContact CA-OH 3.13Å; K628-Y654 WeakPolarHBondContact CB-OH 3.35Å; K628-A855 HydrophobicContact CG-CB 3.86Å
629	S	88.8	Confident	87.3	Confident	12 Å²	12	57.4 Å²	57.4	8%	0.084	28%	0.283	C	S	.	.			trans	-59.8	123.7	170.4	-165.5	0	0	0	0	110.2	L631 M632 Y654 D852	S629-L631 PolarHBondContact O-N 3.24Å; S629-M632 PolarHBondContact O-N 3.31Å; S629-Y654 PolarHBondContact N-OH 3.47Å; S629-D852 WeakPolarHBondContact CB-OD1 3.32Å; S629-D852 PolarHBondContact OG-OD1 2.8Å; S629-D852 VanDerWaalsContact OG-OD1 3.12Å
630	P	78.3	Confident	87.3	Confident	70 Å²	70	60.1 Å²	60.1	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.3	-176.4	27.2	-35.2	0	0	0	113.2	M632	P630-M632 VanDerWaalsContact C-N 3.33Å
631	L	83.9	Confident	87.7	Confident	163 Å²	163	63.5 Å²	63.5	85%	0.853	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6.7	-179.1	-58.1	-179	0	0	0	113.2	S629	S629-L631 PolarHBondContact O-N 3.24Å
632	M	90.8	Very high	88.1	Confident	36 Å²	36	61.7 Å²	61.7	18%	0.177	31%	0.312	C	S	.	.			trans	-124.9	132.5	-173.1	-60.1	-174.5	82.9	0	0	112.2	S629 P630 Y654 K656 T657 D852	S629-M632 PolarHBondContact O-N 3.31Å; P630-M632 VanDerWaalsContact C-N 3.33Å; M632-Y654 HydrophobicContact CB-CD1 3.3Å; M632-Y654 HydrophobicContact CB-CD2 4.3Å; M632-Y654 HydrophobicContact CB-CE1 3.54Å; M632-Y654 HydrophobicContact CB-CE2 4.48Å; M632-Y654 HydrophobicContact CB-CG 3.72Å; M632-Y654 VanDerWaalsContact CE-CB 3.5Å; M632-Y654 HydrophobicContact CE-CD1 4.37Å; M632-Y654 HydrophobicContact CE-CD2 3.4Å; M632-Y654 VanDerWaalsContact CE-CD2 3.4Å; M632-Y654 HydrophobicContact CE-CE2 4.2Å; M632-Y654 HydrophobicContact CE-CG 3.51Å; M632-Y654 HydrophobicContact CG-CD1 4.36Å; M632-Y654 HydrophobicContact CG-CG 4.38Å; M632-Y654 HydrophobicContact SD-CD1 4.21Å; M632-Y654 HydrophobicContact SD-CD2 3.44Å; M632-Y654 WeakPolarHBondContact SD-CD2 3.08Å; M632-Y654 HydrophobicContact SD-CE1 4.35Å; M632-Y654 HydrophobicContact SD-CE2 3.61Å; M632-Y654 HydrophobicContact SD-CG 3.77Å; M632-K656 HydrophobicContact CE-CB 4.2Å; M632-T657 HydrophobicContact CE-CG2 3.69Å; M632-D852 WeakPolarHBondContact CE-O 3.33Å
633	T	94.2	Very high	88	Confident	78 Å²	78	66.1 Å²	66.1	48%	0.479	34%	0.335	S	S	.	.			trans	-92.6	158	178.6	59.4	0	0	0	0	111.7	Y654 D655	T633-Y654 CarbonylContact O-C 3.25Å; T633-Y654 VanDerWaalsContact O-CA 3.3Å; T633-Y654 WeakPolarHBondContact O-CA 3.48Å; T633-D655 VanDerWaalsContact C-OD2 3.25Å; T633-D655 WeakPolarHBondContact CB-OD2 3.48Å; T633-D655 PolarHBondContact O-N 3.23Å; T633-D655 PolarHBondContact OG1-OD2 2.88Å
634	M	93.9	Very high	88	Confident	27 Å²	27	64.4 Å²	64.4	13%	0.133	33%	0.331	C	S	.	.			trans	-135.3	41.4	176.9	-59	-179.9	-74.4	0	0	110	K628 S652 P653 Y654 D655 A855	K628-M634 HydrophobicContact CD-CE 3.64Å; K628-M634 HydrophobicContact CG-CE 4.24Å; M634-S652 VanDerWaalsContact SD-O 3.37Å; M634-P653 WeakPolarHBondContact CG-O 3.45Å; M634-Y654 HydrophobicContact CG-CD1 3.52Å; M634-Y654 HydrophobicContact CG-CE1 3.97Å; M634-Y654 HydrophobicContact CG-CG 4.45Å; M634-Y654 HydrophobicContact SD-CD1 4.14Å; M634-Y654 HydrophobicContact SD-CE1 4.06Å; M634-D655 WeakPolarHBondContact CA-OD1 3.5Å; M634-D655 PolarHBondContact N-OD2 2.97Å; M634-A855 HydrophobicContact SD-CB 4.41Å
635	N	94.7	Very high	88.4	Confident	86 Å²	86	60.2 Å²	60.2	46%	0.46	31%	0.313	S	S	.	.			trans	-77.4	-37.1	-171.2	-66	-28.8	0	0	0	112.2	A637 K638 Y639 D655	N635-A637 VanDerWaalsContact C-N 3.28Å; N635-A637 PolarHBondContact O-N 3.47Å; N635-K638 WeakPolarHBondContact O-CB 3.41Å; N635-K638 PolarHBondContact O-N 3.26Å; N635-Y639 WeakPolarHBondContact O-CD1 3.37Å; N635-D655 VanDerWaalsContact N-CG 3.29Å; N635-D655 PolarHBondContact N-OD1 3.21Å; N635-D655 PolarHBondContact N-OD2 3.38Å
636	I	97.1	Very high	88.6	Confident	30 Å²	30	61 Å²	61	15%	0.154	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-62.4	-39.3	-175.8	-63.1	171.6	0	0	0	110.7	K638 Y639 N642 D655 R658 Y669	I636-K638 PolarHBondContact O-N 2.94Å; I636-K638 VanDerWaalsContact O-N 3.11Å; I636-Y639 HydrophobicContact CB-CE2 4.25Å; I636-Y639 HydrophobicContact CG1-CE2 4.05Å; I636-Y639 HydrophobicContact CG2-CD2 4.27Å; I636-Y639 HydrophobicContact CG2-CE2 4.25Å; I636-Y639 PolarHBondContact O-N 3.45Å; I636-N642 PolarHBondContact O-ND2 2.95Å; I636-D655 WeakPolarHBondContact CB-OD1 3.49Å; I636-D655 HydrophobicContact CD1-CB 3.86Å; I636-D655 HydrophobicContact CG1-CB 4.28Å; I636-D655 WeakPolarHBondContact CG1-OD1 3.44Å; I636-D655 PolarHBondContact N-OD1 3.21Å; I636-R658 VanDerWaalsContact CD1-NE 3.32Å; I636-Y669 HydrophobicContact CG2-CD2 3.87Å
637	A	93.2	Very high	88.8	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.008	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20.9	176.1	0	0	0	0	0	113.8	N635 N646 Y669	N635-A637 VanDerWaalsContact C-N 3.28Å; N635-A637 PolarHBondContact O-N 3.47Å; A637-N646 PolarHBondContact O-ND2 2.71Å; A637-Y669 HydrophobicContact CB-CE2 3.74Å; A637-Y669 WeakPolarHBondContact CB-OH 3.31Å
638	K	87.7	Confident	88.6	Confident	125 Å²	125	60 Å²	60	54%	0.543	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-98.8	-1.7	-176.2	-59.9	177.7	-177.6	178.5	0	113.2	N635 I636	N635-K638 WeakPolarHBondContact O-CB 3.41Å; N635-K638 PolarHBondContact O-N 3.26Å; I636-K638 PolarHBondContact O-N 2.94Å; I636-K638 VanDerWaalsContact O-N 3.11Å
639	Y	89.6	Confident	88	Confident	110 Å²	110	67.9 Å²	67.9	43%	0.431	34%	0.341	S	S	.	.	S	Bend	trans	-62.4	141.3	174.5	-63.3	-17.5	0	0	0	110.4	N635 I636 E641 N642 L643	N635-Y639 WeakPolarHBondContact O-CD1 3.37Å; I636-Y639 HydrophobicContact CB-CE2 4.25Å; I636-Y639 HydrophobicContact CG1-CE2 4.05Å; I636-Y639 HydrophobicContact CG2-CD2 4.27Å; I636-Y639 HydrophobicContact CG2-CE2 4.25Å; I636-Y639 PolarHBondContact O-N 3.45Å; Y639-E641 PolarHBondContact O-N 3.47Å; Y639-E641 VanDerWaalsContact O-N 3.12Å; Y639-N642 WeakPolarHBondContact O-CA 3.15Å; Y639-N642 PolarHBondContact O-N 3.44Å; Y639-L643 PolarHBondContact O-N 3.35Å; Y639-L643 VanDerWaalsContact O-N 3.1Å
640	P	85	Confident	87.5	Confident	107 Å²	107	70.4 Å²	70.4	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-40.1	-174.5	-29.6	36	0	0	0	114.4	N642	P640-N642 VanDerWaalsContact C-N 3.28Å; P640-N642 PolarHBondContact O-N 3.41Å
641	E	86.7	Confident	87.9	Confident	122 Å²	122	67.4 Å²	67.4	57%	0.57	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23	177.6	63.7	-87.9	-155.7	0	0	114	Y639	Y639-E641 PolarHBondContact O-N 3.47Å; Y639-E641 VanDerWaalsContact O-N 3.12Å
642	N	91.6	Very high	88.4	Confident	7 Å²	7	60 Å²	60	4%	0.037	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-18.1	-176.6	-68.9	-25.5	0	0	0	113.3	I636 Y639 P640 S644 K645 N646 Y669	I636-N642 PolarHBondContact O-ND2 2.95Å; Y639-N642 WeakPolarHBondContact O-CA 3.15Å; Y639-N642 PolarHBondContact O-N 3.44Å; P640-N642 VanDerWaalsContact C-N 3.28Å; P640-N642 PolarHBondContact O-N 3.41Å; N642-S644 VanDerWaalsContact C-N 3.28Å; N642-S644 PolarHBondContact O-N 2.97Å; N642-K645 WeakPolarHBondContact O-CB 3.45Å; N642-K645 PolarHBondContact O-N 3.33Å; N642-N646 PolarHBondContact O-ND2 3.18Å; N642-Y669 HydrophobicContact CB-CD1 3.56Å; N642-Y669 HydrophobicContact CB-CE1 3.94Å; N642-Y669 HydrophobicContact CB-CG 3.94Å; N642-Y669 VanDerWaalsContact CG-CB 3.47Å; N642-Y669 VanDerWaalsContact CG-CG 3.47Å; N642-Y669 VanDerWaalsContact OD1-CB 3.22Å; N642-Y669 WeakPolarHBondContact OD1-CB 3.45Å
643	L	83.7	Confident	88.8	Confident	99 Å²	99	58.4 Å²	58.4	52%	0.518	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-54.6	-42.9	-176.4	-73.2	175.9	0	0	0	112.5	Y639 K645 N646	Y639-L643 PolarHBondContact O-N 3.35Å; Y639-L643 VanDerWaalsContact O-N 3.1Å; L643-K645 PolarHBondContact O-N 3.01Å; L643-N646 PolarHBondContact O-N 3.33Å
644	S	83.6	Confident	89	Confident	60 Å²	60	54.7 Å²	54.7	42%	0.42	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-72.4	-14.8	-179.4	63.7	0	0	0	0	113.6	N642 N646 H697	N642-S644 VanDerWaalsContact C-N 3.28Å; N642-S644 PolarHBondContact O-N 2.97Å; S644-N646 VanDerWaalsContact C-N 3.33Å; S644-H697 PolarHBondContact O-CE1 3.21Å; S644-H697 PolarHBondContact O-NE2 3.44Å
645	K	89.8	Confident	89.2	Confident	12 Å²	12	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-83.6	-10.1	177.5	-62.2	-175.2	169.6	-154.3	0	112.8	N642 L643 S666 Y669 Q692 T698 D701	N642-K645 WeakPolarHBondContact O-CB 3.45Å; N642-K645 PolarHBondContact O-N 3.33Å; L643-K645 PolarHBondContact O-N 3.01Å; K645-S666 WeakPolarHBondContact CE-O 3.12Å; K645-S666 WeakPolarHBondContact CE-OG 3.19Å; K645-S666 PolarHBondContact NZ-O 3.34Å; K645-S666 PolarHBondContact NZ-OG 3.48Å; K645-Y669 HydrophobicContact CB-CD1 4.05Å; K645-Y669 HydrophobicContact CB-CE1 4.06Å; K645-Y669 HydrophobicContact CD-CD1 3.96Å; K645-Y669 PolarHBondContact NZ-O 3.28Å; K645-Q692 PolarHBondContact O-NE2 3.37Å; K645-T698 HydrophobicContact CB-CG2 4.07Å; K645-T698 HydrophobicContact CG-CG2 4.19Å; K645-D701 IonicContact NZ-OD2 3.4Å; K645-D701 PolarHBondContact NZ-OD2 3.03Å
646	N	88.1	Confident	89.4	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.102	28%	0.282	C	S	.	.			trans	-89	125.1	176.1	-63.2	-48.3	0	0	0	110.7	A637 N642 L643 S644 Y648 Y669 N671	A637-N646 PolarHBondContact O-ND2 2.71Å; N642-N646 PolarHBondContact O-ND2 3.18Å; L643-N646 PolarHBondContact O-N 3.33Å; S644-N646 VanDerWaalsContact C-N 3.33Å; N646-Y648 VanDerWaalsContact C-N 3.26Å; N646-Y648 PolarHBondContact O-N 3Å; N646-Y669 PolarHBondContact OD1-OH 2.72Å; N646-N671 PolarHBondContact OD1-ND2 3.46Å
647	R	88.9	Confident	89.4	Confident	21 Å²	21	59.2 Å²	59.2	8%	0.079	28%	0.282	C	S	.	.	S	Bend	trans	-66.9	-32.8	174.2	176.6	177.2	-72.6	-78.4	-1.8	111.8	G693 P694 L695 V726 K727 S816	R647-G693 PolarHBondContact NE-O 3.32Å; R647-G693 PolarHBondContact NH2-O 2.71Å; R647-G693 VanDerWaalsContact NH2-O 3.09Å; R647-P694 PolarHBondContact NH2-O 2.94Å; R647-L695 HydrophobicContact CB-CD1 4.5Å; R647-L695 HydrophobicContact CB-CD2 4.09Å; R647-L695 HydrophobicContact CB-CG 4.32Å; R647-L695 HydrophobicContact CG-CD2 4.21Å; R647-V726 PolarHBondContact NH1-O 3.4Å; R647-K727 PolarHBondContact NE-O 2.94Å; R647-K727 PolarHBondContact NH1-O 2.97Å; R647-S816 WeakPolarHBondContact CD-O 3.42Å
648	Y	82.7	Confident	89.7	Confident	15 Å²	15	60.1 Å²	60.1	6%	0.059	29%	0.285	C	S	.	.	S	Bend	trans	-127.2	135.9	-179.4	-60.5	-70.2	0	0	0	109.7	Y573 N646 D650 I651 S816 A817	Y573-Y648 VanDerWaalsContact CB-CE1 3.44Å; N646-Y648 VanDerWaalsContact C-N 3.26Å; N646-Y648 PolarHBondContact O-N 3Å; Y648-D650 VanDerWaalsContact C-N 3.3Å; Y648-D650 PolarHBondContact O-N 3.41Å; Y648-I651 HydrophobicContact CD2-CG1 4.25Å; Y648-I651 HydrophobicContact CG-CG1 4.15Å; Y648-S816 PolarHBondContact OH-OG 3.47Å; Y648-A817 HydrophobicContact CD2-CB 3.63Å; Y648-A817 HydrophobicContact CE2-CB 3.53Å
649	R	76	Confident	90.2	Very high	226 Å²	226	54.2 Å²	54.2	85%	0.853	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.8	-175.7	-177.7	-179.8	171.2	-168.1	-4	112.6	A572	A572-R649 HydrophobicContact CB-CB 4.42Å
650	D	77.3	Confident	90.6	Very high	65 Å²	65	52.1 Å²	52.1	35%	0.348	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-6.3	-175.6	62.8	-28	0	0	0	113.5	G575 Y648	G575-D650 PolarHBondContact N-OD2 2.94Å; Y648-D650 VanDerWaalsContact C-N 3.3Å; Y648-D650 PolarHBondContact O-N 3.41Å
651	I	88.3	Confident	91.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	23%	0.226	C	C	.	.			trans	-108.1	110.4	179.2	-47.5	-57.4	0	0	0	109.8	Y648 N671 A817 I819 M856	Y648-I651 HydrophobicContact CD2-CG1 4.25Å; Y648-I651 HydrophobicContact CG-CG1 4.15Å; I651-N671 PolarHBondContact O-ND2 3.28Å; I651-A817 HydrophobicContact CG1-CB 4.37Å; I651-I819 HydrophobicContact CD1-CD1 3.8Å; I651-I819 HydrophobicContact CG2-CG2 4.22Å; I651-M856 HydrophobicContact CB-CE 4.48Å; I651-M856 HydrophobicContact CD1-CE 3.36Å; I651-M856 HydrophobicContact CD1-SD 3.9Å; I651-M856 HydrophobicContact CG1-CE 4.47Å; I651-M856 HydrophobicContact CG2-CE 4.35Å
652	S	94.4	Very high	91.6	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.063	23%	0.233	C	C	.	.			trans	-131.7	147.5	177.5	-59.7	0	0	0	0	111	M634	M634-S652 VanDerWaalsContact SD-O 3.37Å
653	P	98.3	Very high	91.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.255	C	S	.	.			trans	-73.9	158.4	170	34.7	-36.7	0	0	0	110.3	M634 R658 Y669 S673	M634-P653 WeakPolarHBondContact CG-O 3.45Å; P653-R658 HydrophobicContact CB-CB 3.97Å; P653-R658 HydrophobicContact CG-CB 4.08Å; P653-Y669 VanDerWaalsContact CD-OH 3.28Å; P653-Y669 WeakPolarHBondContact CD-OH 3.45Å; P653-Y669 HydrophobicContact CG-CE2 3.89Å; P653-S673 VanDerWaalsContact CB-OG 3.24Å; P653-S673 WeakPolarHBondContact CB-OG 3.39Å
654	Y	98.4	Very high	91.2	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	24%	0.241	C	C	.	.			trans	-71.8	143.4	168.1	-60.8	-60.6	0	0	0	111.6	K628 S629 M632 T633 M634 K656 T657 R658 R851 A855	K628-Y654 WeakPolarHBondContact CA-OH 3.13Å; K628-Y654 WeakPolarHBondContact CB-OH 3.35Å; S629-Y654 PolarHBondContact N-OH 3.47Å; M632-Y654 HydrophobicContact CB-CD1 3.3Å; M632-Y654 HydrophobicContact CB-CD2 4.3Å; M632-Y654 HydrophobicContact CB-CE1 3.54Å; M632-Y654 HydrophobicContact CB-CE2 4.48Å; M632-Y654 HydrophobicContact CB-CG 3.72Å; M632-Y654 VanDerWaalsContact CE-CB 3.5Å; M632-Y654 HydrophobicContact CE-CD1 4.37Å; M632-Y654 HydrophobicContact CE-CD2 3.4Å; M632-Y654 VanDerWaalsContact CE-CD2 3.4Å; M632-Y654 HydrophobicContact CE-CE2 4.2Å; M632-Y654 HydrophobicContact CE-CG 3.51Å; M632-Y654 HydrophobicContact CG-CD1 4.36Å; M632-Y654 HydrophobicContact CG-CG 4.38Å; M632-Y654 HydrophobicContact SD-CD1 4.21Å; M632-Y654 HydrophobicContact SD-CD2 3.44Å; M632-Y654 WeakPolarHBondContact SD-CD2 3.08Å; M632-Y654 HydrophobicContact SD-CE1 4.35Å; M632-Y654 HydrophobicContact SD-CE2 3.61Å; M632-Y654 HydrophobicContact SD-CG 3.77Å; T633-Y654 CarbonylContact O-C 3.25Å; T633-Y654 VanDerWaalsContact O-CA 3.3Å; T633-Y654 WeakPolarHBondContact O-CA 3.48Å; M634-Y654 HydrophobicContact CG-CD1 3.52Å; M634-Y654 HydrophobicContact CG-CE1 3.97Å; M634-Y654 HydrophobicContact CG-CG 4.45Å; M634-Y654 HydrophobicContact SD-CD1 4.14Å; M634-Y654 HydrophobicContact SD-CE1 4.06Å; Y654-K656 PolarHBondContact O-N 2.85Å; Y654-T657 PolarHBondContact O-N 3.48Å; Y654-R658 WeakPolarHBondContact O-CB 3.44Å; Y654-R658 PolarHBondContact O-N 3.16Å; Y654-R851 WeakPolarHBondContact CE2-O 3.41Å; Y654-R851 PolarHBondContact OH-O 3.34Å; Y654-A855 HydrophobicContact CE1-CB 4.25Å; Y654-A855 HydrophobicContact CE2-CB 4.1Å; Y654-A855 VanDerWaalsContact CE2-N 3.3Å; Y654-A855 WeakPolarHBondContact OH-CB 3.48Å
655	D	98.4	Very high	91.3	Very high	28 Å²	28	52.9 Å²	52.9	15%	0.15	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35	179.4	-61.1	-32.1	0	0	0	111.7	T633 M634 N635 I636	T633-D655 VanDerWaalsContact C-OD2 3.25Å; T633-D655 WeakPolarHBondContact CB-OD2 3.48Å; T633-D655 PolarHBondContact O-N 3.23Å; T633-D655 PolarHBondContact OG1-OD2 2.88Å; M634-D655 WeakPolarHBondContact CA-OD1 3.5Å; M634-D655 PolarHBondContact N-OD2 2.97Å; N635-D655 VanDerWaalsContact N-CG 3.29Å; N635-D655 PolarHBondContact N-OD1 3.21Å; N635-D655 PolarHBondContact N-OD2 3.38Å; I636-D655 WeakPolarHBondContact CB-OD1 3.49Å; I636-D655 HydrophobicContact CD1-CB 3.86Å; I636-D655 HydrophobicContact CG1-CB 4.28Å; I636-D655 WeakPolarHBondContact CG1-OD1 3.44Å; I636-D655 PolarHBondContact N-OD1 3.21Å
656	K	98.1	Very high	91.1	Very high	186 Å²	186	55.3 Å²	55.3	81%	0.809	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-35	-176.8	-175.1	177.5	179.1	-177.1	0	114.2	M632 Y654	M632-K656 HydrophobicContact CE-CB 4.2Å; Y654-K656 PolarHBondContact O-N 2.85Å
657	T	98.5	Very high	91.4	Very high	24 Å²	24	56.2 Å²	56.2	15%	0.147	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-0.5	-171.9	56.6	0	0	0	0	112.7	M632 Y654 S673 F674 Q853	M632-T657 HydrophobicContact CE-CG2 3.69Å; Y654-T657 PolarHBondContact O-N 3.48Å; T657-S673 CarbonylContact O-C 3.56Å; T657-S673 VanDerWaalsContact O-CA 3.27Å; T657-S673 WeakPolarHBondContact O-CA 3.26Å; T657-F674 PolarHBondContact O-N 2.84Å; T657-Q853 WeakPolarHBondContact CB-O 3.41Å; T657-Q853 PolarHBondContact OG1-O 3.44Å
658	R	98.4	Very high	91.8	Very high	20 Å²	20	58.2 Å²	58.2	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	151.2	173.7	72.2	-179.8	-176.7	93	-6.8	110.7	I636 P653 Y654 V660 D668 A672	I636-R658 VanDerWaalsContact CD1-NE 3.32Å; P653-R658 HydrophobicContact CB-CB 3.97Å; P653-R658 HydrophobicContact CG-CB 4.08Å; Y654-R658 WeakPolarHBondContact O-CB 3.44Å; Y654-R658 PolarHBondContact O-N 3.16Å; R658-V660 HydrophobicContact CG-CG2 4.25Å; R658-D668 IonicContact CZ-OD2 3.31Å; R658-D668 PolarHBondContact NH1-O 2.91Å; R658-D668 IonicContact NH1-OD1 2.76Å; R658-D668 IonicContact NH1-OD2 3.93Å; R658-D668 PolarHBondContact NH1-OD2 2.97Å; R658-D668 IonicContact NH2-OD1 2.6Å; R658-D668 IonicContact NH2-OD2 2.92Å; R658-D668 PolarHBondContact NH2-OD2 3.37Å; R658-A672 CarbonylContact C-O 3.57Å; R658-A672 WeakPolarHBondContact CA-O 3.44Å
659	V	98.7	Very high	92.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.1	164.4	-175.5	0	0	0	0	108.3	I670 A672 F674 I689 V705	V659-I670 HydrophobicContact CB-CG2 4.16Å; V659-A672 HydrophobicContact CB-CB 4.29Å; V659-A672 HydrophobicContact CG2-CB 3.91Å; V659-A672 PolarHBondContact N-O 3.01Å; V659-F674 HydrophobicContact CB-CE2 4.23Å; V659-F674 HydrophobicContact CB-CZ 4.4Å; V659-F674 HydrophobicContact CG1-CE2 4.34Å; V659-F674 HydrophobicContact CG1-CZ 4.13Å; V659-F674 HydrophobicContact CG2-CD1 4.49Å; V659-F674 HydrophobicContact CG2-CD2 4.14Å; V659-F674 HydrophobicContact CG2-CE1 4.24Å; V659-F674 HydrophobicContact CG2-CE2 3.89Å; V659-F674 HydrophobicContact CG2-CG 4.44Å; V659-F674 HydrophobicContact CG2-CZ 3.94Å; V659-I689 HydrophobicContact CG2-CD1 4.39Å; V659-I689 HydrophobicContact CG2-CG1 4.25Å; V659-I689 HydrophobicContact CG2-CG2 3.79Å; V659-V705 HydrophobicContact CG1-CB 4.48Å; V659-V705 HydrophobicContact CG1-CG1 3.92Å; V659-V705 HydrophobicContact CG1-CG2 3.74Å
660	V	98.5	Very high	93.6	Very high	66 Å²	66	47.2 Å²	47.2	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.6	176.3	-174.2	0	0	0	0	107.3	R658 Q662 D668	R658-V660 HydrophobicContact CG-CG2 4.25Å; V660-Q662 PolarHBondContact O-N 3.12Å; V660-D668 HydrophobicContact CG1-CB 3.94Å; V660-D668 WeakPolarHBondContact CG1-OD2 3.47Å
661	I	97.9	Very high	94.6	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	24%	0.239	C	C	.	.			trans	-76.9	122.4	178.8	-52.3	175.5	0	0	0	108	D668 I670 D701 Q704 V705	I661-D668 PolarHBondContact N-O 2.89Å; I661-D668 WeakPolarHBondContact O-CA 3.45Å; I661-D668 WeakPolarHBondContact O-CB 3.48Å; I661-I670 HydrophobicContact CD1-CB 3.9Å; I661-I670 HydrophobicContact CD1-CG2 3.95Å; I661-I670 HydrophobicContact CG1-CB 4.46Å; I661-I670 HydrophobicContact CG1-CG2 3.96Å; I661-D701 HydrophobicContact CD1-CB 3.67Å; I661-Q704 HydrophobicContact CG2-CB 4.21Å; I661-Q704 HydrophobicContact CG2-CG 3.53Å; I661-V705 HydrophobicContact CD1-CG2 4.29Å; I661-V705 HydrophobicContact CG1-CG2 3.89Å
662	Q	93.1	Very high	95.1	Very high	153 Å²	153	43.9 Å²	43.9	72%	0.715	24%	0.238	S	C	*	.	S	Bend	trans	-78.1	-41.5	-176.4	-63.7	-175.3	1	0	0	111.7	V660 E708	V660-Q662 PolarHBondContact O-N 3.12Å; Q662-E708 PolarHBondContact N-OE2 3.37Å
663	N	83.5	Confident	95.4	Very high	94 Å²	94	43.5 Å²	43.5	50%	0.503	24%	0.235	S	C	.	.	S	Bend	trans	-115.1	41.1	-177.6	-54.5	-77.3	0	0	0	112.2	Q665 E708	N663-Q665 PolarHBondContact O-N 3.01Å; N663-E708 WeakPolarHBondContact CB-OE1 3.31Å; N663-E708 PolarHBondContact N-OE1 3.45Å; N663-E708 PolarHBondContact ND2-OE1 3.19Å; N663-E708 VanDerWaalsContact ND2-OE1 3.08Å
664	G	84.8	Confident	95.4	Very high	22 Å²	22	46.1 Å²	46.1	23%	0.227	25%	0.246	C	C	.	.			trans	-74.1	120.7	-177	0	0	0	0	0	112.5	S666 G667	G664-S666 PolarHBondContact O-N 3.2Å; G664-G667 WeakPolarHBondContact CA-O 3.35Å; G664-G667 PolarHBondContact O-N 3.45Å
665	Q	84.2	Confident	95.4	Very high	140 Å²	140	46 Å²	46	65%	0.654	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27	178.2	-64.4	-176.9	-1.8	0	0	112.8	N663 G742	N663-Q665 PolarHBondContact O-N 3.01Å; Q665-G742 VanDerWaalsContact NE2-CA 3.33Å
666	S	87.6	Confident	95.4	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	23.6	-175.9	71.4	0	0	0	0	112.5	K645 G664 D701	K645-S666 WeakPolarHBondContact CE-O 3.12Å; K645-S666 WeakPolarHBondContact CE-OG 3.19Å; K645-S666 PolarHBondContact NZ-O 3.34Å; K645-S666 PolarHBondContact NZ-OG 3.48Å; G664-S666 PolarHBondContact O-N 3.2Å; S666-D701 PolarHBondContact OG-OD1 3.49Å; S666-D701 PolarHBondContact OG-OD2 2.7Å; S666-D701 VanDerWaalsContact OG-OD2 3.11Å
667	G	93.8	Very high	95.4	Very high	37 Å²	37	39.1 Å²	39.1	38%	0.381	22%	0.217	S	C	.	.			trans	100.5	179.1	-174.4	0	0	0	0	0	113.5	G664	G664-G667 WeakPolarHBondContact CA-O 3.35Å; G664-G667 PolarHBondContact O-N 3.45Å
668	D	97.5	Very high	95.2	Very high	63 Å²	63	45.3 Å²	45.3	34%	0.337	25%	0.245	S	C	.	.	S	Bend	trans	-92	0.4	-171.5	77.5	-20.8	0	0	0	114.1	R658 V660 I661	R658-D668 IonicContact CZ-OD2 3.31Å; R658-D668 PolarHBondContact NH1-O 2.91Å; R658-D668 IonicContact NH1-OD1 2.76Å; R658-D668 IonicContact NH1-OD2 3.93Å; R658-D668 PolarHBondContact NH1-OD2 2.97Å; R658-D668 IonicContact NH2-OD1 2.6Å; R658-D668 IonicContact NH2-OD2 2.92Å; R658-D668 PolarHBondContact NH2-OD2 3.37Å; V660-D668 HydrophobicContact CG1-CB 3.94Å; V660-D668 WeakPolarHBondContact CG1-OD2 3.47Å; I661-D668 PolarHBondContact N-O 2.89Å; I661-D668 WeakPolarHBondContact O-CA 3.45Å; I661-D668 WeakPolarHBondContact O-CB 3.48Å
669	Y	98.3	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.1	-171.5	178.7	-98.8	0	0	0	113	I636 A637 N642 K645 N646 P653	I636-Y669 HydrophobicContact CG2-CD2 3.87Å; A637-Y669 HydrophobicContact CB-CE2 3.74Å; A637-Y669 WeakPolarHBondContact CB-OH 3.31Å; N642-Y669 HydrophobicContact CB-CD1 3.56Å; N642-Y669 HydrophobicContact CB-CE1 3.94Å; N642-Y669 HydrophobicContact CB-CG 3.94Å; N642-Y669 VanDerWaalsContact CG-CB 3.47Å; N642-Y669 VanDerWaalsContact CG-CG 3.47Å; N642-Y669 VanDerWaalsContact OD1-CB 3.22Å; N642-Y669 WeakPolarHBondContact OD1-CB 3.45Å; K645-Y669 HydrophobicContact CB-CD1 4.05Å; K645-Y669 HydrophobicContact CB-CE1 4.06Å; K645-Y669 HydrophobicContact CD-CD1 3.96Å; K645-Y669 PolarHBondContact NZ-O 3.28Å; N646-Y669 PolarHBondContact OD1-OH 2.72Å; P653-Y669 VanDerWaalsContact CD-OH 3.28Å; P653-Y669 WeakPolarHBondContact CD-OH 3.45Å; P653-Y669 HydrophobicContact CG-CE2 3.89Å
670	I	98.4	Very high	94.3	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.3	165.4	-174.9	169.8	0	0	0	109.1	V659 I661 A672 D701 F702 V705	V659-I670 HydrophobicContact CB-CG2 4.16Å; I661-I670 HydrophobicContact CD1-CB 3.9Å; I661-I670 HydrophobicContact CD1-CG2 3.95Å; I661-I670 HydrophobicContact CG1-CB 4.46Å; I661-I670 HydrophobicContact CG1-CG2 3.96Å; I670-A672 HydrophobicContact CG2-CB 4.25Å; I670-A672 PolarHBondContact O-N 3.47Å; I670-D701 HydrophobicContact CD1-CB 4.18Å; I670-F702 HydrophobicContact CD1-CB 4.32Å; I670-V705 HydrophobicContact CD1-CG2 4.06Å; I670-V705 HydrophobicContact CG2-CG2 3.91Å
671	N	98.3	Very high	93.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	75.4	175.8	-167	-43.2	0	0	0	111.1	N646 I651 Q692 R854	N646-N671 PolarHBondContact OD1-ND2 3.46Å; I651-N671 PolarHBondContact O-ND2 3.28Å; N671-Q692 HydrophobicContact CB-CB 4.47Å; N671-Q692 HydrophobicContact CB-CG 3.92Å; N671-Q692 VanDerWaalsContact CB-OE1 3.28Å; N671-Q692 PolarHBondContact ND2-OE1 3.2Å; N671-Q692 PolarHBondContact O-N 2.95Å; N671-Q692 VanDerWaalsContact O-N 3.09Å; N671-R854 PolarHBondContact OD1-NH2 3.15Å
672	A	98.8	Very high	92.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.2	175.5	0	0	0	0	0	110	R658 V659 I670 I689 A690 A691	R658-A672 CarbonylContact C-O 3.57Å; R658-A672 WeakPolarHBondContact CA-O 3.44Å; V659-A672 HydrophobicContact CB-CB 4.29Å; V659-A672 HydrophobicContact CG2-CB 3.91Å; V659-A672 PolarHBondContact N-O 3.01Å; I670-A672 HydrophobicContact CG2-CB 4.25Å; I670-A672 PolarHBondContact O-N 3.47Å; A672-I689 HydrophobicContact CB-CG2 3.91Å; A672-A690 CarbonylContact C-O 3.51Å; A672-A690 WeakPolarHBondContact CA-O 3.33Å; A672-A691 HydrophobicContact CB-CB 3.7Å
673	S	98.9	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.5	177.6	-52.2	0	0	0	0	110.7	P653 T657 I689 A690 R854	P653-S673 VanDerWaalsContact CB-OG 3.24Å; P653-S673 WeakPolarHBondContact CB-OG 3.39Å; T657-S673 CarbonylContact O-C 3.56Å; T657-S673 VanDerWaalsContact O-CA 3.27Å; T657-S673 WeakPolarHBondContact O-CA 3.26Å; S673-I689 WeakPolarHBondContact O-CA 3.26Å; S673-A690 PolarHBondContact N-O 2.9Å; S673-A690 PolarHBondContact O-N 2.93Å; S673-R854 PolarHBondContact OG-NH1 3.01Å
674	F	98.8	Very high	92.7	Very high	56 Å²	56	45.8 Å²	45.8	25%	0.246	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.4	164.4	-64.3	-74.6	0	0	0	109.5	T657 V659 Y688 I689 Q709	T657-F674 PolarHBondContact O-N 2.84Å; V659-F674 HydrophobicContact CB-CE2 4.23Å; V659-F674 HydrophobicContact CB-CZ 4.4Å; V659-F674 HydrophobicContact CG1-CE2 4.34Å; V659-F674 HydrophobicContact CG1-CZ 4.13Å; V659-F674 HydrophobicContact CG2-CD1 4.49Å; V659-F674 HydrophobicContact CG2-CD2 4.14Å; V659-F674 HydrophobicContact CG2-CE1 4.24Å; V659-F674 HydrophobicContact CG2-CE2 3.89Å; V659-F674 HydrophobicContact CG2-CG 4.44Å; V659-F674 HydrophobicContact CG2-CZ 3.94Å; F674-Y688 WeakPolarHBondContact CA-O 3.28Å; F674-I689 HydrophobicContact CD1-CD1 4.41Å; F674-I689 HydrophobicContact CD1-CG1 3.8Å; F674-I689 HydrophobicContact CE1-CD1 3.92Å; F674-I689 HydrophobicContact CE1-CG1 3.83Å; F674-Q709 HydrophobicContact CE1-CG 4.41Å; F674-Q709 HydrophobicContact CZ-CG 4.41Å
675	V	98.8	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	113	172.4	-177.9	0	0	0	0	106.7	M677 Y688 A690 I826 M850 Q853 R854 L857	V675-M677 HydrophobicContact CG1-CG 4.38Å; V675-M677 HydrophobicContact CG1-SD 3.98Å; V675-Y688 PolarHBondContact N-O 3.29Å; V675-Y688 WeakPolarHBondContact O-CB 3.26Å; V675-Y688 VanDerWaalsContact O-CD2 3.31Å; V675-Y688 WeakPolarHBondContact O-CD2 3.38Å; V675-Y688 PolarHBondContact O-N 3.02Å; V675-A690 HydrophobicContact CG2-CB 3.91Å; V675-I826 HydrophobicContact CG1-CD1 4.46Å; V675-I826 HydrophobicContact CG1-CG2 4.41Å; V675-M850 HydrophobicContact CG1-CG 4.35Å; V675-Q853 HydrophobicContact CG2-CB 4.31Å; V675-R854 HydrophobicContact CG2-CB 4.01Å; V675-L857 HydrophobicContact CG1-CD1 4.44Å; V675-L857 HydrophobicContact CG2-CD1 4.06Å
676	N	98.2	Very high	93.6	Very high	61 Å²	61	40.4 Å²	40.4	33%	0.326	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.8	180	-63.3	-40.5	0	0	0	108.8	V685 N686 R687 Q853	N676-V685 HydrophobicContact CB-CG1 4.07Å; N676-N686 WeakPolarHBondContact CA-O 3.31Å; N676-R687 WeakPolarHBondContact OD1-CG 3.45Å; N676-Q853 PolarHBondContact O-NE2 3.29Å; N676-Q853 PolarHBondContact O-OE1 3.46Å
677	M	97.4	Very high	94.2	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.8	179.9	-58	-50.3	-66.4	0	0	109.2	V675 N686 Y688 I826 T830 I846 M850	V675-M677 HydrophobicContact CG1-CG 4.38Å; V675-M677 HydrophobicContact CG1-SD 3.98Å; M677-N686 HydrophobicContact CB-CB 4.3Å; M677-N686 PolarHBondContact N-O 3.37Å; M677-N686 PolarHBondContact O-N 2.92Å; M677-Y688 HydrophobicContact CB-CE2 4.43Å; M677-Y688 HydrophobicContact CG-CD2 4.46Å; M677-Y688 HydrophobicContact CG-CE2 4.07Å; M677-I826 HydrophobicContact CG-CG2 3.88Å; M677-T830 HydrophobicContact CB-CG2 4.06Å; M677-T830 HydrophobicContact CE-CG2 4.35Å; M677-I846 HydrophobicContact CE-CG2 3.69Å; M677-M850 HydrophobicContact CE-CG 3.91Å; M677-M850 HydrophobicContact SD-CG 3.74Å
678	E	94.2	Very high	94.4	Very high	155 Å²	155	40 Å²	40	72%	0.724	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.6	176.1	-58.2	-174.4	176	0	0	110.1	V685	E678-V685 HydrophobicContact CG-CG1 4.18Å; E678-V685 HydrophobicContact CG-CG2 4.05Å
679	I	92.6	Very high	94.5	Very high	4 Å²	4	37 Å²	37	2%	0.021	21%	0.21	C	C	.	.			trans	-101.9	110.2	176	-51.5	-59.7	0	0	0	107	S682 I684 T830 C833 L834 A837	I679-S682 VanDerWaalsContact CB-OG 3.28Å; I679-S682 WeakPolarHBondContact CB-OG 3.41Å; I679-S682 WeakPolarHBondContact CG2-OG 3.25Å; I679-S682 PolarHBondContact O-OG 2.98Å; I679-I684 HydrophobicContact CB-CB 4.23Å; I679-I684 HydrophobicContact CG1-CB 4.24Å; I679-I684 HydrophobicContact CG1-CG2 4.24Å; I679-I684 PolarHBondContact N-O 2.95Å; I679-T830 HydrophobicContact CD1-CG2 3.79Å; I679-C833 HydrophobicContact CD1-CB 3.63Å; I679-C833 HydrophobicContact CG1-CB 3.7Å; I679-C833 HydrophobicContact CG2-CB 4.21Å; I679-L834 HydrophobicContact CD1-CD2 4.45Å; I679-L834 HydrophobicContact CD1-CG 4.25Å; I679-L834 HydrophobicContact CG2-CD2 4.12Å; I679-A837 HydrophobicContact CG2-CB 4.05Å
680	P	86.5	Confident	94.5	Very high	67 Å²	67	37 Å²	37	44%	0.435	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	150.9	-180	-25.9	35	0	0	0	112	S682 E839	P680-S682 PolarHBondContact O-N 3.49Å; P680-E839 HydrophobicContact CB-CG 4.28Å
681	T	82	Confident	94.5	Very high	104 Å²	104	36.6 Å²	36.6	64%	0.638	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-21.7	179.2	69.4	0	0	0	0	117.7	E839	T681-E839 WeakPolarHBondContact CB-OE1 3.4Å; T681-E839 WeakPolarHBondContact CG2-OE1 3.49Å; T681-E839 PolarHBondContact OG1-OE1 3.18Å
682	S	85.6	Confident	94.5	Very high	27 Å²	27	36.9 Å²	36.9	19%	0.189	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-23.6	178.2	72.3	0	0	0	0	114.1	I679 P680 I684 Y885	I679-S682 VanDerWaalsContact CB-OG 3.28Å; I679-S682 WeakPolarHBondContact CB-OG 3.41Å; I679-S682 WeakPolarHBondContact CG2-OG 3.25Å; I679-S682 PolarHBondContact O-OG 2.98Å; P680-S682 PolarHBondContact O-N 3.49Å; S682-I684 PolarHBondContact O-N 2.88Å; S682-I684 WeakPolarHBondContact OG-CB 2.87Å; S682-I684 WeakPolarHBondContact OG-CG1 3.45Å; S682-I684 PolarHBondContact OG-N 3.3Å; S682-Y885 WeakPolarHBondContact CA-OH 3.17Å; S682-Y885 VanDerWaalsContact CB-OH 3.3Å; S682-Y885 WeakPolarHBondContact CB-OH 3.2Å
683	G	83.8	Confident	94.4	Very high	70 Å²	70	36.8 Å²	36.8	72%	0.722	21%	0.209	S	C	*	.			trans	71.3	1.3	-170	0	0	0	0	0	114
684	I	88	Confident	94.3	Very high	74 Å²	74	36.9 Å²	36.9	38%	0.379	21%	0.21	S	C	.	.			trans	-73.3	134.1	177.3	-60.1	171.5	0	0	0	109.2	I679 S682	I679-I684 HydrophobicContact CB-CB 4.23Å; I679-I684 HydrophobicContact CG1-CB 4.24Å; I679-I684 HydrophobicContact CG1-CG2 4.24Å; I679-I684 PolarHBondContact N-O 2.95Å; S682-I684 PolarHBondContact O-N 2.88Å; S682-I684 WeakPolarHBondContact OG-CB 2.87Å; S682-I684 WeakPolarHBondContact OG-CG1 3.45Å; S682-I684 PolarHBondContact OG-N 3.3Å
685	V	94.4	Very high	93.9	Very high	38 Å²	38	35.4 Å²	35.4	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.1	169.2	-173.6	0	0	0	0	108.4	N676 E678 R687	N676-V685 HydrophobicContact CB-CG1 4.07Å; E678-V685 HydrophobicContact CG-CG1 4.18Å; E678-V685 HydrophobicContact CG-CG2 4.05Å; V685-R687 HydrophobicContact CG1-CG 4.11Å; V685-R687 PolarHBondContact O-N 2.89Å
686	N	94.7	Very high	93.4	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.059	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.7	173.7	-73.7	-20.3	0	0	0	108.9	N676 M677 Y688 C833	N676-N686 WeakPolarHBondContact CA-O 3.31Å; M677-N686 HydrophobicContact CB-CB 4.3Å; M677-N686 PolarHBondContact N-O 3.37Å; M677-N686 PolarHBondContact O-N 2.92Å; N686-Y688 HydrophobicContact CB-CE2 3.57Å; N686-Y688 WeakPolarHBondContact CB-OH 3.36Å; N686-Y688 WeakPolarHBondContact O-CD2 3.35Å; N686-Y688 WeakPolarHBondContact O-CE2 3.47Å; N686-C833 PolarHBondContact ND2-SG 2.91Å
687	R	98.2	Very high	92.9	Very high	90 Å²	90	39.6 Å²	39.6	34%	0.34	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.2	179.3	-55.9	-168.3	-177.6	78.6	7.7	110.9	N676 V685 R804 V808 P810 V811	N676-R687 WeakPolarHBondContact OD1-CG 3.45Å; V685-R687 HydrophobicContact CG1-CG 4.11Å; V685-R687 PolarHBondContact O-N 2.89Å; R687-R804 PolarHBondContact O-NH2 3.35Å; R687-R804 VanDerWaalsContact O-NH2 3.17Å; R687-V808 WeakPolarHBondContact CD-O 3.22Å; R687-V808 PolarHBondContact NH1-O 2.93Å; R687-P810 HydrophobicContact CB-CB 4.07Å; R687-P810 WeakPolarHBondContact O-CA 3.47Å; R687-V811 PolarHBondContact O-N 2.94Å; R687-V811 VanDerWaalsContact O-N 3.17Å
688	Y	98.8	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	177.8	-51.4	-85.9	0	0	0	111.2	F674 V675 M677 N686 V811 V813 I826 E829	F674-Y688 WeakPolarHBondContact CA-O 3.28Å; V675-Y688 PolarHBondContact N-O 3.29Å; V675-Y688 WeakPolarHBondContact O-CB 3.26Å; V675-Y688 VanDerWaalsContact O-CD2 3.31Å; V675-Y688 WeakPolarHBondContact O-CD2 3.38Å; V675-Y688 PolarHBondContact O-N 3.02Å; M677-Y688 HydrophobicContact CB-CE2 4.43Å; M677-Y688 HydrophobicContact CG-CD2 4.46Å; M677-Y688 HydrophobicContact CG-CE2 4.07Å; N686-Y688 HydrophobicContact CB-CE2 3.57Å; N686-Y688 WeakPolarHBondContact CB-OH 3.36Å; N686-Y688 WeakPolarHBondContact O-CD2 3.35Å; N686-Y688 WeakPolarHBondContact O-CE2 3.47Å; Y688-V811 CarbonylContact C-O 3.51Å; Y688-V811 VanDerWaalsContact CA-O 3.28Å; Y688-V811 WeakPolarHBondContact CA-O 3.33Å; Y688-V811 HydrophobicContact CD1-CB 4.35Å; Y688-V813 HydrophobicContact CD1-CG2 3.95Å; Y688-I826 HydrophobicContact CD1-CG1 4.06Å; Y688-I826 HydrophobicContact CD2-CD1 4.39Å; Y688-I826 HydrophobicContact CD2-CG1 4.17Å; Y688-I826 HydrophobicContact CD2-CG2 3.93Å; Y688-I826 HydrophobicContact CE1-CG1 4.22Å; Y688-I826 HydrophobicContact CE2-CB 4.48Å; Y688-I826 HydrophobicContact CE2-CG1 4.35Å; Y688-I826 HydrophobicContact CE2-CG2 3.69Å; Y688-I826 HydrophobicContact CG-CD1 4.17Å; Y688-I826 HydrophobicContact CG-CG1 4.03Å; Y688-E829 VanDerWaalsContact CE1-OE2 3.27Å; Y688-E829 WeakPolarHBondContact CE1-OE2 3.49Å; Y688-E829 WeakPolarHBondContact OH-CG 3.4Å; Y688-E829 PolarHBondContact OH-OE2 2.64Å; Y688-E829 VanDerWaalsContact OH-OE2 3.05Å
689	I	98.9	Very high	92.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.6	158.7	-67.3	169.9	0	0	0	107.2	V659 A672 S673 F674 V705 Q709 P810 V811 L812 V813	V659-I689 HydrophobicContact CG2-CD1 4.39Å; V659-I689 HydrophobicContact CG2-CG1 4.25Å; V659-I689 HydrophobicContact CG2-CG2 3.79Å; A672-I689 HydrophobicContact CB-CG2 3.91Å; S673-I689 WeakPolarHBondContact O-CA 3.26Å; F674-I689 HydrophobicContact CD1-CD1 4.41Å; F674-I689 HydrophobicContact CD1-CG1 3.8Å; F674-I689 HydrophobicContact CE1-CD1 3.92Å; F674-I689 HydrophobicContact CE1-CG1 3.83Å; I689-V705 HydrophobicContact CD1-CG1 3.87Å; I689-V705 HydrophobicContact CG2-CG1 4.47Å; I689-Q709 HydrophobicContact CD1-CB 3.72Å; I689-Q709 HydrophobicContact CD1-CG 3.7Å; I689-P810 HydrophobicContact CD1-CB 4.26Å; I689-P810 HydrophobicContact CD1-CG 3.85Å; I689-P810 HydrophobicContact CG1-CB 3.99Å; I689-P810 HydrophobicContact CG1-CG 4.11Å; I689-V811 PolarHBondContact N-O 2.94Å; I689-L812 HydrophobicContact CB-CB 4.42Å; I689-L812 HydrophobicContact CB-CG 4.15Å; I689-L812 HydrophobicContact CG2-CD1 4.29Å; I689-L812 HydrophobicContact CG2-CG 4.06Å; I689-L812 CarbonylContact O-C 3.58Å; I689-L812 WeakPolarHBondContact O-CA 3.47Å; I689-V813 PolarHBondContact O-N 2.73Å
690	A	98.9	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.7	175.7	0	0	0	0	0	109.6	A672 S673 V675 V813 T822 I826 R854	A672-A690 CarbonylContact C-O 3.51Å; A672-A690 WeakPolarHBondContact CA-O 3.33Å; S673-A690 PolarHBondContact N-O 2.9Å; S673-A690 PolarHBondContact O-N 2.93Å; V675-A690 HydrophobicContact CG2-CB 3.91Å; A690-V813 WeakPolarHBondContact CA-O 3.28Å; A690-T822 HydrophobicContact CB-CG2 3.8Å; A690-I826 HydrophobicContact CB-CD1 4.36Å; A690-R854 PolarHBondContact O-NE 2.86Å; A690-R854 PolarHBondContact O-NH1 2.82Å
691	A	98.8	Very high	93.6	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.7	-171.9	0	0	0	0	0	112.9	A672 L812 V813 H814 G818	A672-A691 HydrophobicContact CB-CB 3.7Å; A691-L812 HydrophobicContact CB-CD2 4.16Å; A691-V813 PolarHBondContact N-O 3.35Å; A691-H814 HydrophobicContact CB-CB 4.19Å; A691-H814 VanDerWaalsContact O-CA 3.31Å; A691-H814 WeakPolarHBondContact O-CA 3.48Å; A691-H814 WeakPolarHBondContact O-CB 3.37Å; A691-G818 WeakPolarHBondContact O-CA 3.48Å
692	Q	97.7	Very high	94.4	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.033	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-68.3	158.4	164.5	76.5	178	23.4	0	0	110.6	K645 N671	K645-Q692 PolarHBondContact O-NE2 3.37Å; N671-Q692 HydrophobicContact CB-CB 4.47Å; N671-Q692 HydrophobicContact CB-CG 3.92Å; N671-Q692 VanDerWaalsContact CB-OE1 3.28Å; N671-Q692 PolarHBondContact ND2-OE1 3.2Å; N671-Q692 PolarHBondContact O-N 2.95Å; N671-Q692 VanDerWaalsContact O-N 3.09Å
693	G	97.1	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-64	127.2	169	0	0	0	0	0	110.7	R647 C815 S816	R647-G693 PolarHBondContact NE-O 3.32Å; R647-G693 PolarHBondContact NH2-O 2.71Å; R647-G693 VanDerWaalsContact NH2-O 3.09Å; G693-C815 VanDerWaalsContact CA-O 3.24Å; G693-C815 WeakPolarHBondContact CA-O 3.44Å; G693-C815 PolarHBondContact N-O 3.42Å; G693-C815 VanDerWaalsContact N-O 3.14Å; G693-S816 PolarHBondContact N-O 2.9Å
694	P	97	Very high	95.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.013	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-53.5	139.1	-175.7	-32.7	39	0	0	0	113.8	R647 T699 F702 C728 H729 Y731	R647-P694 PolarHBondContact NH2-O 2.94Å; P694-T699 HydrophobicContact CB-CG2 4.23Å; P694-F702 HydrophobicContact CB-CB 4.41Å; P694-F702 HydrophobicContact CB-CG 4.49Å; P694-F702 HydrophobicContact CG-CB 3.89Å; P694-F702 HydrophobicContact CG-CD1 4.08Å; P694-F702 HydrophobicContact CG-CD2 3.32Å; P694-F702 HydrophobicContact CG-CE1 4.43Å; P694-F702 HydrophobicContact CG-CE2 3.67Å; P694-F702 HydrophobicContact CG-CG 3.5Å; P694-F702 VanDerWaalsContact CG-CG 3.5Å; P694-F702 HydrophobicContact CG-CZ 4.22Å; P694-C728 VanDerWaalsContact CD-SG 3.58Å; P694-H729 WeakPolarHBondContact O-CB 3.48Å; P694-H729 PolarHBondContact O-N 3.36Å; P694-Y731 HydrophobicContact CB-CD1 4.13Å; P694-Y731 HydrophobicContact CB-CG 4.33Å; P694-Y731 HydrophobicContact CG-CD1 3.61Å; P694-Y731 HydrophobicContact CG-CE1 4.1Å; P694-Y731 HydrophobicContact CG-CG 3.94Å
695	L	91	Very high	96.1	Very high	24 Å²	24	18.9 Å²	18.9	13%	0.126	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-81.9	160.2	165.6	-64.8	166.9	0	0	0	109	R647 H697 T698 T699	R647-L695 HydrophobicContact CB-CD1 4.5Å; R647-L695 HydrophobicContact CB-CD2 4.09Å; R647-L695 HydrophobicContact CB-CG 4.32Å; R647-L695 HydrophobicContact CG-CD2 4.21Å; L695-H697 PolarHBondContact O-N 3.04Å; L695-T698 HydrophobicContact CB-CG2 4.06Å; L695-T698 HydrophobicContact CD1-CG2 4.22Å; L695-T698 PolarHBondContact N-OG1 2.97Å; L695-T698 PolarHBondContact O-N 2.98Å; L695-T698 PolarHBondContact O-OG1 3.4Å; L695-T699 WeakPolarHBondContact O-CG2 3.48Å; L695-T699 PolarHBondContact O-N 3.46Å
696	P	87.8	Confident	96.3	Very high	53 Å²	53	17.2 Å²	17.2	34%	0.344	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-50.5	-44.9	178.4	-26.2	33.6	0	0	0	113.1	T699 H729	P696-T699 PolarHBondContact O-OG1 2.92Å; P696-H729 HydrophobicContact CG-CB 4.41Å
697	H	87.5	Confident	96.5	Very high	96 Å²	96	18.1 Å²	18.1	44%	0.444	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-86.8	3.1	-178.9	62.9	-75.7	0	0	0	115	S644 L695	S644-H697 PolarHBondContact O-CE1 3.21Å; S644-H697 PolarHBondContact O-NE2 3.44Å; L695-H697 PolarHBondContact O-N 3.04Å
698	T	94.6	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-116	12.1	175.4	72.6	0	0	0	0	112.4	K645 L695 F702	K645-T698 HydrophobicContact CB-CG2 4.07Å; K645-T698 HydrophobicContact CG-CG2 4.19Å; L695-T698 HydrophobicContact CB-CG2 4.06Å; L695-T698 HydrophobicContact CD1-CG2 4.22Å; L695-T698 PolarHBondContact N-OG1 2.97Å; L695-T698 PolarHBondContact O-N 2.98Å; L695-T698 PolarHBondContact O-OG1 3.4Å; T698-F702 PolarHBondContact O-N 2.99Å; T698-F702 VanDerWaalsContact O-N 3.08Å
699	T	96.4	Very high	96.4	Very high	13 Å²	13	17.6 Å²	17.6	8%	0.08	9%	0.091	C	C	.	.	H	α-helix	trans	-67.9	-41.5	178.9	48.5	0	0	0	0	112	P694 L695 P696 D701 F702 W703 H741	P694-T699 HydrophobicContact CB-CG2 4.23Å; L695-T699 WeakPolarHBondContact O-CG2 3.48Å; L695-T699 PolarHBondContact O-N 3.46Å; P696-T699 PolarHBondContact O-OG1 2.92Å; T699-D701 PolarHBondContact O-N 3.38Å; T699-F702 WeakPolarHBondContact O-CB 3.47Å; T699-F702 PolarHBondContact O-N 2.88Å; T699-W703 PolarHBondContact O-N 3.28Å; T699-H741 VanDerWaalsContact CB-CE1 3.46Å; T699-H741 WeakPolarHBondContact CB-CE1 3.47Å; T699-H741 PolarHBondContact OG1-CE1 3.22Å; T699-H741 PolarHBondContact OG1-ND1 3.47Å
700	T	96.6	Very high	96.3	Very high	37 Å²	37	21 Å²	21	23%	0.227	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-47.3	172.9	-54.6	0	0	0	0	112	F702 W703 Q704	T700-F702 VanDerWaalsContact C-N 3.29Å; T700-F702 PolarHBondContact O-N 2.93Å; T700-W703 PolarHBondContact O-N 3.09Å; T700-Q704 WeakPolarHBondContact O-CB 3.46Å; T700-Q704 PolarHBondContact O-N 3.07Å
701	D	97.6	Very high	96.2	Very high	5 Å²	5	21 Å²	21	3%	0.027	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-39.6	177.6	-68	-10.5	0	0	0	111.2	K645 I661 S666 I670 T699 Q704 V705	K645-D701 IonicContact NZ-OD2 3.4Å; K645-D701 PolarHBondContact NZ-OD2 3.03Å; I661-D701 HydrophobicContact CD1-CB 3.67Å; S666-D701 PolarHBondContact OG-OD1 3.49Å; S666-D701 PolarHBondContact OG-OD2 2.7Å; S666-D701 VanDerWaalsContact OG-OD2 3.11Å; I670-D701 HydrophobicContact CD1-CB 4.18Å; T699-D701 PolarHBondContact O-N 3.38Å; D701-Q704 PolarHBondContact O-N 2.66Å; D701-V705 WeakPolarHBondContact O-CG2 3.49Å; D701-V705 PolarHBondContact O-N 3.24Å; D701-V705 VanDerWaalsContact O-N 3.07Å
702	F	98.4	Very high	96.2	Very high	3 Å²	3	24 Å²	24	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-48.9	177.6	-179.3	-88.8	0	0	0	112.2	I670 P694 T698 T699 T700 Q704 V705 V706 V714 Y731 L812 H814	I670-F702 HydrophobicContact CD1-CB 4.32Å; P694-F702 HydrophobicContact CB-CB 4.41Å; P694-F702 HydrophobicContact CB-CG 4.49Å; P694-F702 HydrophobicContact CG-CB 3.89Å; P694-F702 HydrophobicContact CG-CD1 4.08Å; P694-F702 HydrophobicContact CG-CD2 3.32Å; P694-F702 HydrophobicContact CG-CE1 4.43Å; P694-F702 HydrophobicContact CG-CE2 3.67Å; P694-F702 HydrophobicContact CG-CG 3.5Å; P694-F702 VanDerWaalsContact CG-CG 3.5Å; P694-F702 HydrophobicContact CG-CZ 4.22Å; T698-F702 PolarHBondContact O-N 2.99Å; T698-F702 VanDerWaalsContact O-N 3.08Å; T699-F702 WeakPolarHBondContact O-CB 3.47Å; T699-F702 PolarHBondContact O-N 2.88Å; T700-F702 VanDerWaalsContact C-N 3.29Å; T700-F702 PolarHBondContact O-N 2.93Å; F702-Q704 VanDerWaalsContact C-N 3.32Å; F702-Q704 PolarHBondContact O-N 3.35Å; F702-V705 WeakPolarHBondContact O-CB 3.4Å; F702-V705 PolarHBondContact O-N 3.35Å; F702-V706 HydrophobicContact CD1-CG2 4.21Å; F702-V706 HydrophobicContact CE1-CG2 3.94Å; F702-V706 WeakPolarHBondContact O-CG2 3.32Å; F702-V706 PolarHBondContact O-N 2.75Å; F702-V714 HydrophobicContact CE1-CG1 4.4Å; F702-V714 HydrophobicContact CZ-CG1 3.99Å; F702-Y731 AromaticContact CD1-CD2 3.88Å; F702-Y731 HydrophobicContact CD1-CD2 3.88Å; F702-Y731 AromaticContact CD1-CE2 3.98Å; F702-Y731 HydrophobicContact CD1-CE2 3.98Å; F702-Y731 HydrophobicContact CD1-CG 4.43Å; F702-Y731 AromaticContact CE1-CD2 3.65Å; F702-Y731 HydrophobicContact CE1-CD2 3.65Å; F702-Y731 HydrophobicContact CE1-CE1 4.43Å; F702-Y731 AromaticContact CE1-CE2 3.25Å; F702-Y731 HydrophobicContact CE1-CE2 3.25Å; F702-Y731 HydrophobicContact CE1-CG 4.39Å; F702-Y731 AromaticContact CE1-CZ 3.68Å; F702-Y731 HydrophobicContact CZ-CD2 4.45Å; F702-Y731 HydrophobicContact CZ-CE1 4.33Å; F702-Y731 AromaticContact CZ-CE2 3.83Å; F702-Y731 HydrophobicContact CZ-CE2 3.83Å; F702-Y731 AromaticContact CZ-CZ 3.73Å; F702-L812 HydrophobicContact CD2-CD1 4.4Å; F702-L812 HydrophobicContact CE2-CD1 3.88Å; F702-L812 HydrophobicContact CE2-CD2 3.49Å; F702-L812 VanDerWaalsContact CE2-CD2 3.49Å; F702-L812 HydrophobicContact CE2-CG 4.37Å; F702-L812 HydrophobicContact CZ-CD1 3.95Å; F702-L812 HydrophobicContact CZ-CD2 3.54Å; F702-L812 HydrophobicContact CZ-CG 4.42Å; F702-H814 AromaticContact CZ-CD2 4Å
703	W	98.2	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.8	-34.1	177.3	-77.5	116.6	0	0	0	112.6	T699 T700 V705 V706 W707 Y731 H741 L744 I746 L762 V764	T699-W703 PolarHBondContact O-N 3.28Å; T700-W703 PolarHBondContact O-N 3.09Å; W703-V705 VanDerWaalsContact C-N 3.29Å; W703-V705 PolarHBondContact O-N 3.27Å; W703-V706 HydrophobicContact CE3-CB 4.02Å; W703-V706 HydrophobicContact CE3-CG1 4.03Å; W703-V706 HydrophobicContact CE3-CG2 4.22Å; W703-V706 HydrophobicContact CZ3-CB 4.39Å; W703-V706 HydrophobicContact CZ3-CG1 3.97Å; W703-V706 HydrophobicContact CZ3-CG2 4.45Å; W703-V706 PolarHBondContact O-N 2.87Å; W703-W707 WeakPolarHBondContact O-CB 3.44Å; W703-W707 PolarHBondContact O-N 3.29Å; W703-Y731 AromaticContact CE2-CD2 3.88Å; W703-Y731 HydrophobicContact CH2-CE2 4.45Å; W703-Y731 AromaticContact CZ2-CD2 3.71Å; W703-Y731 HydrophobicContact CZ2-CD2 3.71Å; W703-Y731 AromaticContact CZ2-CE2 3.92Å; W703-Y731 HydrophobicContact CZ2-CE2 3.92Å; W703-Y731 AromaticContact NE1-CD2 3.86Å; W703-Y731 PolarHBondContact NE1-O 3.19Å; W703-H741 HydrophobicContact CB-CB 4.29Å; W703-H741 AromaticContact CD1-CD2 3.72Å; W703-H741 AromaticContact CD1-CE1 3.95Å; W703-H741 AromaticContact CD1-CG 3.56Å; W703-H741 AromaticContact CD1-ND1 3.74Å; W703-H741 AromaticContact CD1-NE2 3.92Å; W703-H741 HydrophobicContact CG-CB 4.46Å; W703-H741 AromaticContact NE1-NE2 3.94Å; W703-L744 HydrophobicContact CB-CD1 3.79Å; W703-L744 WeakPolarHBondContact O-CD1 3.45Å; W703-I746 HydrophobicContact CB-CD1 4.34Å; W703-I746 HydrophobicContact CD2-CD1 4.03Å; W703-I746 HydrophobicContact CD2-CG1 4Å; W703-I746 HydrophobicContact CE3-CG1 4.22Å; W703-I746 HydrophobicContact CG-CD1 3.86Å; W703-I746 HydrophobicContact CG-CG1 4.37Å; W703-I746 HydrophobicContact CH2-CG2 4.14Å; W703-I746 HydrophobicContact CZ2-CG2 3.97Å; W703-L762 HydrophobicContact CH2-CD1 3.55Å; W703-L762 HydrophobicContact CZ2-CD1 4.06Å; W703-V764 HydrophobicContact CE3-CG2 4.21Å; W703-V764 HydrophobicContact CZ3-CG2 3.86Å
704	Q	97.5	Very high	96.3	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-40.5	172.9	-169.1	63.1	32.4	0	0	111.1	I661 T700 D701 F702 W707 E708	I661-Q704 HydrophobicContact CG2-CB 4.21Å; I661-Q704 HydrophobicContact CG2-CG 3.53Å; T700-Q704 WeakPolarHBondContact O-CB 3.46Å; T700-Q704 PolarHBondContact O-N 3.07Å; D701-Q704 PolarHBondContact O-N 2.66Å; F702-Q704 VanDerWaalsContact C-N 3.32Å; F702-Q704 PolarHBondContact O-N 3.35Å; Q704-W707 PolarHBondContact O-N 3.15Å; Q704-E708 HydrophobicContact CG-CG 4.33Å; Q704-E708 PolarHBondContact NE2-OE1 2.89Å; Q704-E708 WeakPolarHBondContact O-CB 3.32Å; Q704-E708 VanDerWaalsContact O-CG 3.29Å; Q704-E708 WeakPolarHBondContact O-CG 3.5Å; Q704-E708 PolarHBondContact O-N 3.5Å
705	V	98.4	Very high	96.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-48.3	172.8	169.3	0	0	0	0	111.9	V659 I661 I670 I689 D701 F702 W703 W707 E708 Q709 L812	V659-V705 HydrophobicContact CG1-CB 4.48Å; V659-V705 HydrophobicContact CG1-CG1 3.92Å; V659-V705 HydrophobicContact CG1-CG2 3.74Å; I661-V705 HydrophobicContact CD1-CG2 4.29Å; I661-V705 HydrophobicContact CG1-CG2 3.89Å; I670-V705 HydrophobicContact CD1-CG2 4.06Å; I670-V705 HydrophobicContact CG2-CG2 3.91Å; I689-V705 HydrophobicContact CD1-CG1 3.87Å; I689-V705 HydrophobicContact CG2-CG1 4.47Å; D701-V705 WeakPolarHBondContact O-CG2 3.49Å; D701-V705 PolarHBondContact O-N 3.24Å; D701-V705 VanDerWaalsContact O-N 3.07Å; F702-V705 WeakPolarHBondContact O-CB 3.4Å; F702-V705 PolarHBondContact O-N 3.35Å; W703-V705 VanDerWaalsContact C-N 3.29Å; W703-V705 PolarHBondContact O-N 3.27Å; V705-W707 PolarHBondContact O-N 2.82Å; V705-E708 PolarHBondContact O-N 3.46Å; V705-Q709 HydrophobicContact CG1-CG 4.05Å; V705-Q709 VanDerWaalsContact O-CB 3.3Å; V705-Q709 WeakPolarHBondContact O-CB 3.39Å; V705-Q709 WeakPolarHBondContact O-CG 3.3Å; V705-Q709 PolarHBondContact O-N 3.33Å; V705-L812 HydrophobicContact CG1-CD1 4.27Å
706	V	98.5	Very high	96.7	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-54.9	-42.7	178.6	172.2	0	0	0	0	110.4	F702 W703 L710 C711 V714 I773 L812	F702-V706 HydrophobicContact CD1-CG2 4.21Å; F702-V706 HydrophobicContact CE1-CG2 3.94Å; F702-V706 WeakPolarHBondContact O-CG2 3.32Å; F702-V706 PolarHBondContact O-N 2.75Å; W703-V706 HydrophobicContact CE3-CB 4.02Å; W703-V706 HydrophobicContact CE3-CG1 4.03Å; W703-V706 HydrophobicContact CE3-CG2 4.22Å; W703-V706 HydrophobicContact CZ3-CB 4.39Å; W703-V706 HydrophobicContact CZ3-CG1 3.97Å; W703-V706 HydrophobicContact CZ3-CG2 4.45Å; W703-V706 PolarHBondContact O-N 2.87Å; V706-L710 PolarHBondContact O-N 2.7Å; V706-C711 HydrophobicContact CB-CB 4.47Å; V706-C711 HydrophobicContact CG1-CB 4.06Å; V706-C711 PolarHBondContact O-N 3.2Å; V706-V714 HydrophobicContact CG1-CG2 4.38Å; V706-V714 HydrophobicContact CG2-CG2 4.04Å; V706-I773 HydrophobicContact CG1-CD1 4.39Å; V706-I773 HydrophobicContact CG1-CG2 4.41Å; V706-L812 HydrophobicContact CG2-CD1 3.71Å
707	W	97.8	Very high	97.2	Very high	29 Å²	29	20 Å²	20	11%	0.11	10%	0.098	C	C	.	.	H	α-helix	trans	-69.7	-51.9	177.9	-174.3	-95.1	0	0	0	113.3	W703 Q704 V705 Q709 L710 L744 V764 C766 E769 R771	W703-W707 WeakPolarHBondContact O-CB 3.44Å; W703-W707 PolarHBondContact O-N 3.29Å; Q704-W707 PolarHBondContact O-N 3.15Å; V705-W707 PolarHBondContact O-N 2.82Å; W707-Q709 VanDerWaalsContact C-N 3.29Å; W707-Q709 PolarHBondContact O-N 3.13Å; W707-L710 PolarHBondContact O-N 3.04Å; W707-L744 HydrophobicContact CB-CD1 3.96Å; W707-L744 HydrophobicContact CB-CD2 4.18Å; W707-L744 HydrophobicContact CD2-CD2 3.79Å; W707-L744 HydrophobicContact CE3-CD2 4.01Å; W707-L744 HydrophobicContact CG-CD1 4.49Å; W707-L744 HydrophobicContact CG-CD2 3.84Å; W707-V764 HydrophobicContact CE3-CB 4.45Å; W707-V764 HydrophobicContact CE3-CG1 3.68Å; W707-V764 HydrophobicContact CZ3-CB 4.43Å; W707-V764 HydrophobicContact CZ3-CG1 4Å; W707-V764 WeakPolarHBondContact CZ3-O 3.26Å; W707-C766 HydrophobicContact CD2-CB 4.08Å; W707-C766 HydrophobicContact CE3-CB 4.34Å; W707-C766 HydrophobicContact CH2-CB 3.61Å; W707-C766 HydrophobicContact CZ2-CB 3.3Å; W707-C766 HydrophobicContact CZ3-CB 4.12Å; W707-E769 HydrophobicContact CH2-CB 3.84Å; W707-E769 HydrophobicContact CH2-CG 3.8Å; W707-E769 WeakPolarHBondContact CH2-O 3.46Å; W707-E769 HydrophobicContact CZ2-CB 4.03Å; W707-E769 HydrophobicContact CZ2-CG 4.15Å; W707-E769 VanDerWaalsContact CZ2-OE2 3.32Å; W707-E769 WeakPolarHBondContact CZ2-OE2 3.46Å; W707-R771 HydrophobicContact CH2-CG 4.09Å; W707-R771 HydrophobicContact CZ3-CB 4.22Å; W707-R771 HydrophobicContact CZ3-CG 3.81Å; W707-R771 PolarHBondContact O-NH1 3.38Å
708	E	97.2	Very high	97.4	Very high	35 Å²	35	15.5 Å²	15.5	16%	0.164	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-31.4	-176.1	-74.1	-178.5	173.5	0	0	112.7	Q662 N663 Q704 V705	Q662-E708 PolarHBondContact N-OE2 3.37Å; N663-E708 WeakPolarHBondContact CB-OE1 3.31Å; N663-E708 PolarHBondContact N-OE1 3.45Å; N663-E708 PolarHBondContact ND2-OE1 3.19Å; N663-E708 VanDerWaalsContact ND2-OE1 3.08Å; Q704-E708 HydrophobicContact CG-CG 4.33Å; Q704-E708 PolarHBondContact NE2-OE1 2.89Å; Q704-E708 WeakPolarHBondContact O-CB 3.32Å; Q704-E708 VanDerWaalsContact O-CG 3.29Å; Q704-E708 WeakPolarHBondContact O-CG 3.5Å; Q704-E708 PolarHBondContact O-N 3.5Å; V705-E708 PolarHBondContact O-N 3.46Å
709	Q	97.7	Very high	97.3	Very high	44 Å²	44	16.5 Å²	16.5	21%	0.206	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.4	-178	-55.5	-56.4	-53.1	0	0	113.3	F674 I689 V705 W707 C711 P810	F674-Q709 HydrophobicContact CE1-CG 4.41Å; F674-Q709 HydrophobicContact CZ-CG 4.41Å; I689-Q709 HydrophobicContact CD1-CB 3.72Å; I689-Q709 HydrophobicContact CD1-CG 3.7Å; V705-Q709 HydrophobicContact CG1-CG 4.05Å; V705-Q709 VanDerWaalsContact O-CB 3.3Å; V705-Q709 WeakPolarHBondContact O-CB 3.39Å; V705-Q709 WeakPolarHBondContact O-CG 3.3Å; V705-Q709 PolarHBondContact O-N 3.33Å; W707-Q709 VanDerWaalsContact C-N 3.29Å; W707-Q709 PolarHBondContact O-N 3.13Å; Q709-C711 PolarHBondContact O-N 2.92Å; Q709-P810 HydrophobicContact CB-CG 4.2Å; Q709-P810 WeakPolarHBondContact O-CD 3.43Å
710	L	97	Very high	97	Very high	73 Å²	73	18 Å²	18	38%	0.382	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	35.1	178.8	-49.2	-178.7	0	0	0	112.7	V706 W707 H712 R771 E809	V706-L710 PolarHBondContact O-N 2.7Å; W707-L710 PolarHBondContact O-N 3.04Å; L710-H712 PolarHBondContact O-CD2 3.33Å; L710-H712 PolarHBondContact O-N 2.9Å; L710-H712 VanDerWaalsContact O-N 3.15Å; L710-R771 VanDerWaalsContact CD2-CZ 3.45Å; L710-E809 HydrophobicContact CB-CB 4.48Å; L710-E809 HydrophobicContact CB-CG 3.72Å; L710-E809 WeakPolarHBondContact O-CB 3.28Å; L710-E809 WeakPolarHBondContact O-CG 3.47Å
711	C	98	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.			trans	-71.5	110.1	-177.3	-69.7	0	0	0	0	110.7	V706 Q709 I773 P810	V706-C711 HydrophobicContact CB-CB 4.47Å; V706-C711 HydrophobicContact CG1-CB 4.06Å; V706-C711 PolarHBondContact O-N 3.2Å; Q709-C711 PolarHBondContact O-N 2.92Å; C711-I773 VanDerWaalsContact O-CD1 3.27Å; C711-I773 WeakPolarHBondContact O-CD1 3.44Å; C711-P810 PolarHBondContact SG-O 2.88Å
712	H	97.3	Very high	95.4	Very high	63 Å²	63	20.1 Å²	20.1	29%	0.292	11%	0.107	S	C	.	.			trans	-86.1	-16.7	175.8	-71.6	-91.8	0	0	0	114.3	L710 S774 M807	L710-H712 PolarHBondContact O-CD2 3.33Å; L710-H712 PolarHBondContact O-N 2.9Å; L710-H712 VanDerWaalsContact O-N 3.15Å; H712-S774 PolarHBondContact O-N 3.34Å; H712-M807 HydrophobicContact CB-CE 3.38Å; H712-M807 HydrophobicContact CB-SD 3.96Å; H712-M807 WeakPolarHBondContact CD2-CE 3.34Å
713	T	98.6	Very high	94	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.6	178.3	-58.4	0	0	0	0	110.3	V715 S774 M776 S803 V811 L812	T713-V715 HydrophobicContact CG2-CG2 3.98Å; T713-S774 CarbonylContact C-O 3.58Å; T713-S774 VanDerWaalsContact CA-O 3.31Å; T713-S774 WeakPolarHBondContact CA-O 3.28Å; T713-M776 HydrophobicContact CG2-CG 4.49Å; T713-M776 HydrophobicContact CG2-SD 4.11Å; T713-S803 PolarHBondContact OG1-OG 2.86Å; T713-V811 HydrophobicContact CG2-CG1 4.03Å; T713-L812 PolarHBondContact O-N 2.99Å; T713-L812 VanDerWaalsContact O-N 3.09Å
714	V	98.8	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.8	172.8	178.8	0	0	0	0	108.8	F702 V706 Y731 I773 S774 H775 M776 L812	F702-V714 HydrophobicContact CE1-CG1 4.4Å; F702-V714 HydrophobicContact CZ-CG1 3.99Å; V706-V714 HydrophobicContact CG1-CG2 4.38Å; V706-V714 HydrophobicContact CG2-CG2 4.04Å; V714-Y731 WeakPolarHBondContact CG1-OH 3.42Å; V714-I773 HydrophobicContact CG2-CG2 3.92Å; V714-S774 PolarHBondContact N-O 3.08Å; V714-H775 CarbonylContact O-C 3.48Å; V714-H775 WeakPolarHBondContact O-CA 3.35Å; V714-M776 PolarHBondContact O-N 2.96Å; V714-L812 CarbonylContact C-O 3.49Å; V714-L812 WeakPolarHBondContact CA-O 3.32Å; V714-L812 HydrophobicContact CG1-CD2 4.24Å; V714-L812 HydrophobicContact CG2-CB 4.37Å
715	V	98.8	Very high	91	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.2	-178.5	-177.8	0	0	0	0	110.3	T713 L717 M776 F796 V800 V811 L812 V813 H814 L825	T713-V715 HydrophobicContact CG2-CG2 3.98Å; V715-L717 HydrophobicContact CG1-CD2 3.8Å; V715-L717 HydrophobicContact CG1-CG 4.1Å; V715-M776 CarbonylContact C-O 3.6Å; V715-M776 WeakPolarHBondContact CA-O 3.38Å; V715-F796 HydrophobicContact CG1-CE1 3.68Å; V715-F796 HydrophobicContact CG1-CZ 3.93Å; V715-V800 HydrophobicContact CG1-CG2 4.36Å; V715-V800 HydrophobicContact CG2-CG1 3.96Å; V715-V800 HydrophobicContact CG2-CG2 3.8Å; V715-V811 HydrophobicContact CG2-CG1 3.7Å; V715-L812 PolarHBondContact N-O 3.41Å; V715-V813 HydrophobicContact CB-CB 4.48Å; V715-V813 HydrophobicContact CB-CG1 4.2Å; V715-V813 HydrophobicContact CB-CG2 4.26Å; V715-V813 HydrophobicContact CG1-CG1 4.28Å; V715-V813 WeakPolarHBondContact O-CA 3.19Å; V715-H814 PolarHBondContact O-N 3.09Å; V715-L825 HydrophobicContact CG1-CD1 3.76Å
716	M	98.5	Very high	90.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.7	179.3	175.7	171	-176.9	0	0	110.9	T718 T720 C728 Y731 W732 M776 Q777 Y778 H814	M716-T718 HydrophobicContact CE-CG2 3.82Å; M716-T718 WeakPolarHBondContact CE-O 3.42Å; M716-T718 HydrophobicContact CG-CG2 4.25Å; M716-T718 PolarHBondContact O-N 3.19Å; M716-T720 HydrophobicContact CE-CG2 4.14Å; M716-C728 HydrophobicContact CE-CB 3.53Å; M716-Y731 HydrophobicContact SD-CE1 4.37Å; M716-W732 HydrophobicContact CE-CH2 3.72Å; M716-W732 HydrophobicContact CE-CZ3 3.95Å; M716-W732 HydrophobicContact SD-CH2 3.42Å; M716-W732 WeakPolarHBondContact SD-CH2 3.48Å; M716-W732 HydrophobicContact SD-CZ3 3.38Å; M716-W732 WeakPolarHBondContact SD-CZ3 3.3Å; M716-M776 PolarHBondContact N-O 3.29Å; M716-Q777 HydrophobicContact CB-CB 4.3Å; M716-Q777 HydrophobicContact CB-CG 4.17Å; M716-Q777 HydrophobicContact CG-CG 4Å; M716-Q777 CarbonylContact O-C 3.53Å; M716-Q777 VanDerWaalsContact O-CA 3.3Å; M716-Q777 WeakPolarHBondContact O-CA 3.49Å; M716-Q777 HydrophobicContact SD-CG 4.12Å; M716-Y778 PolarHBondContact O-N 3.39Å; M716-H814 WeakPolarHBondContact CB-NE2 3.36Å; M716-H814 WeakPolarHBondContact CG-CE1 3.35Å
717	L	97.1	Very high	89.4	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.			trans	-100.3	37.7	-175.7	-56.3	171.6	0	0	0	113	V715 Y778 F796 V813 H814 C815 R821 L825	V715-L717 HydrophobicContact CG1-CD2 3.8Å; V715-L717 HydrophobicContact CG1-CG 4.1Å; L717-Y778 CarbonylContact C-O 3.56Å; L717-Y778 WeakPolarHBondContact CA-O 3.23Å; L717-Y778 HydrophobicContact CD2-CG 4.49Å; L717-F796 HydrophobicContact CD2-CD1 4.49Å; L717-F796 HydrophobicContact CD2-CE1 3.85Å; L717-V813 HydrophobicContact CD1-CG1 3.87Å; L717-V813 HydrophobicContact CG-CG1 4.46Å; L717-H814 PolarHBondContact N-O 2.66Å; L717-C815 HydrophobicContact CB-CB 4Å; L717-R821 HydrophobicContact CB-CB 3.9Å; L717-R821 VanDerWaalsContact CD1-C 3.5Å; L717-R821 HydrophobicContact CD1-CB 4.07Å; L717-R821 WeakPolarHBondContact CD1-O 3.42Å; L717-R821 WeakPolarHBondContact O-CD 3.29Å; L717-R821 PolarHBondContact O-NH1 2.72Å; L717-L825 HydrophobicContact CD1-CB 3.85Å; L717-L825 HydrophobicContact CD1-CD1 4.04Å; L717-L825 HydrophobicContact CD2-CD1 3.85Å; L717-L825 HydrophobicContact CG-CD1 4.43Å
718	T	93.2	Very high	89.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-156.9	155.1	-179.3	-168.9	0	0	0	0	110.7	M716 E722 K727 C728 Q777 Y778 R821	M716-T718 HydrophobicContact CE-CG2 3.82Å; M716-T718 WeakPolarHBondContact CE-O 3.42Å; M716-T718 HydrophobicContact CG-CG2 4.25Å; M716-T718 PolarHBondContact O-N 3.19Å; T718-E722 WeakPolarHBondContact CA-OE1 3.35Å; T718-E722 WeakPolarHBondContact CB-OE1 3.39Å; T718-E722 PolarHBondContact OG1-OE1 3.34Å; T718-K727 HydrophobicContact CG2-CB 4.4Å; T718-K727 WeakPolarHBondContact OG1-CB 3.29Å; T718-C728 HydrophobicContact CG2-CB 3.97Å; T718-Q777 PolarHBondContact O-NE2 3.45Å; T718-Y778 PolarHBondContact N-O 2.92Å; T718-R821 PolarHBondContact OG1-NH1 3.48Å
719	A	91.7	Very high	89	Confident	25 Å²	25	37.3 Å²	37.3	21%	0.207	19%	0.186	C	C	.	.			trans	-73.9	161.5	161.2	0	0	0	0	0	110	V721 E722	A719-V721 PolarHBondContact O-N 2.92Å; A719-E722 HydrophobicContact CB-CG 4Å; A719-E722 PolarHBondContact N-OE1 2.96Å
720	T	90.2	Very high	88.9	Confident	45 Å²	45	38.3 Å²	38.3	28%	0.276	19%	0.19	S	C	.	.	S	Bend	trans	-63.2	-36.4	173.5	50.5	0	0	0	0	111.3	M716 V726 K727 C728 Q730 W732	M716-T720 HydrophobicContact CE-CG2 4.14Å; T720-V726 CarbonylContact O-C 3.59Å; T720-V726 WeakPolarHBondContact O-CA 3.12Å; T720-K727 PolarHBondContact O-N 3.14Å; T720-C728 WeakPolarHBondContact CA-O 3.34Å; T720-C728 WeakPolarHBondContact CB-O 3.47Å; T720-C728 PolarHBondContact O-N 3.44Å; T720-C728 VanDerWaalsContact O-O 3.13Å; T720-Q730 HydrophobicContact CG2-CB 4.19Å; T720-W732 HydrophobicContact CG2-CH2 3.7Å; T720-W732 HydrophobicContact CG2-CZ2 4.31Å
721	V	82.3	Confident	88.9	Confident	69 Å²	69	34.9 Å²	34.9	42%	0.418	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	176.9	-177.2	0	0	0	0	109.6	A719 R725 V726	A719-V721 PolarHBondContact O-N 2.92Å; V721-R725 WeakPolarHBondContact CA-O 3.26Å; V721-V726 HydrophobicContact CG2-CG2 4.39Å
722	E	77.9	Confident	88.9	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124	172.2	-65.6	174	-172.1	0	0	107.9	T718 A719 G724 R725 K727 R821	T718-E722 WeakPolarHBondContact CA-OE1 3.35Å; T718-E722 WeakPolarHBondContact CB-OE1 3.39Å; T718-E722 PolarHBondContact OG1-OE1 3.34Å; A719-E722 HydrophobicContact CB-CG 4Å; A719-E722 PolarHBondContact N-OE1 2.96Å; E722-G724 VanDerWaalsContact C-N 3.26Å; E722-G724 PolarHBondContact O-N 3.13Å; E722-R725 PolarHBondContact N-O 3.45Å; E722-R725 WeakPolarHBondContact O-CB 3.3Å; E722-R725 PolarHBondContact O-N 3.1Å; E722-K727 HydrophobicContact CB-CD 4.38Å; E722-K727 HydrophobicContact CB-CG 3.69Å; E722-K727 HydrophobicContact CG-CG 3.78Å; E722-R821 IonicContact OE1-CZ 2.79Å; E722-R821 IonicContact OE1-NH1 3.13Å; E722-R821 PolarHBondContact OE1-NH1 3.18Å; E722-R821 IonicContact OE1-NH2 3.89Å; E722-R821 PolarHBondContact OE1-NH2 3.48Å; E722-R821 IonicContact OE2-CZ 3.05Å; E722-R821 IonicContact OE2-NH1 2.9Å; E722-R821 IonicContact OE2-NH2 2.66Å; E722-R821 PolarHBondContact OE2-NH2 3.34Å
723	R	69.1	Low	89	Confident	135 Å²	135	32.1 Å²	32.1	51%	0.509	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	42	-174.9	-54.8	-170.7	166.6	-155.6	4.8	114.1	R725 D783 H784	R723-R725 PolarHBondContact O-N 3.28Å; R723-R725 VanDerWaalsContact O-N 3.08Å; R723-D783 HydrophobicContact CG-CB 4.26Å; R723-D783 WeakPolarHBondContact CG-OD2 3.33Å; R723-D783 IonicContact CZ-OD2 3.3Å; R723-D783 IonicContact NE-OD2 2.72Å; R723-D783 PolarHBondContact NE-OD2 3.43Å; R723-D783 IonicContact NH2-OD2 3Å; R723-H784 VanDerWaalsContact CZ-NE2 3.29Å; R723-H784 PolarHBondContact NH1-CE1 2.83Å; R723-H784 PolarHBondContact NH1-NE2 3.26Å; R723-H784 PolarHBondContact NH2-CD2 3.24Å; R723-H784 PolarHBondContact NH2-NE2 3.21Å
724	G	63.2	Low	88.9	Confident	21 Å²	21	35.4 Å²	35.4	22%	0.216	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-2.1	-179.6	0	0	0	0	0	115.1	Y507 E722	Y507-G724 WeakPolarHBondContact OH-CA 3.32Å; Y507-G724 PolarHBondContact OH-O 3.33Å; E722-G724 VanDerWaalsContact C-N 3.26Å; E722-G724 PolarHBondContact O-N 3.13Å
725	R	69.4	Low	88.9	Confident	124 Å²	124	38.2 Å²	38.2	47%	0.468	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.5	175	-66.1	-171	175.1	94.2	-4.5	110.2	V721 E722 R723 K727	V721-R725 WeakPolarHBondContact CA-O 3.26Å; E722-R725 PolarHBondContact N-O 3.45Å; E722-R725 WeakPolarHBondContact O-CB 3.3Å; E722-R725 PolarHBondContact O-N 3.1Å; R723-R725 PolarHBondContact O-N 3.28Å; R723-R725 VanDerWaalsContact O-N 3.08Å; R725-K727 PolarHBondContact O-N 3.13Å
726	V	78.9	Confident	88.8	Confident	52 Å²	52	46.9 Å²	46.9	32%	0.315	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	113.6	175.7	-177.7	0	0	0	0	108.7	R647 T720 V721	R647-V726 PolarHBondContact NH1-O 3.4Å; T720-V726 CarbonylContact O-C 3.59Å; T720-V726 WeakPolarHBondContact O-CA 3.12Å; V721-V726 HydrophobicContact CG2-CG2 4.39Å
727	K	85.8	Confident	88.8	Confident	43 Å²	43	51.4 Å²	51.4	19%	0.187	25%	0.246	C	C	.	.	S	Bend	trans	-93.2	-31.4	176.4	-61.6	-58.4	-171.3	171.9	0	112	R647 T718 T720 E722 R725 S816	R647-K727 PolarHBondContact NE-O 2.94Å; R647-K727 PolarHBondContact NH1-O 2.97Å; T718-K727 HydrophobicContact CG2-CB 4.4Å; T718-K727 WeakPolarHBondContact OG1-CB 3.29Å; T720-K727 PolarHBondContact O-N 3.14Å; E722-K727 HydrophobicContact CB-CD 4.38Å; E722-K727 HydrophobicContact CB-CG 3.69Å; E722-K727 HydrophobicContact CG-CG 3.78Å; R725-K727 PolarHBondContact O-N 3.13Å; K727-S816 WeakPolarHBondContact CA-OG 3.49Å; K727-S816 WeakPolarHBondContact CB-OG 3.4Å; K727-S816 WeakPolarHBondContact CD-OG 3.25Å; K727-S816 WeakPolarHBondContact O-CA 3.39Å; K727-S816 PolarHBondContact O-OG 3.07Å; K727-S816 VanDerWaalsContact O-OG 3.05Å
728	C	92.7	Very high	88.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	26%	0.263	C	S	.	.	S	Bend	trans	-151.1	139	178.9	-170.1	0	0	0	0	109.1	P694 M716 T718 T720 H814	P694-C728 VanDerWaalsContact CD-SG 3.58Å; M716-C728 HydrophobicContact CE-CB 3.53Å; T718-C728 HydrophobicContact CG2-CB 3.97Å; T720-C728 WeakPolarHBondContact CA-O 3.34Å; T720-C728 WeakPolarHBondContact CB-O 3.47Å; T720-C728 PolarHBondContact O-N 3.44Å; T720-C728 VanDerWaalsContact O-O 3.13Å; C728-H814 VanDerWaalsContact SG-CE1 3.59Å
729	H	91.9	Very high	89.1	Confident	69 Å²	69	56.8 Å²	56.8	32%	0.319	28%	0.276	S	S	.	.			trans	-70.4	149	166.4	-174.6	71.5	0	0	0	109.2	P694 P696 Y731	P694-H729 WeakPolarHBondContact O-CB 3.48Å; P694-H729 PolarHBondContact O-N 3.36Å; P696-H729 HydrophobicContact CG-CB 4.41Å; H729-Y731 VanDerWaalsContact C-N 3.34Å; H729-Y731 WeakPolarHBondContact O-CD1 3.3Å; H729-Y731 PolarHBondContact O-N 2.92Å
730	Q	96.1	Very high	89.3	Confident	65 Å²	65	62.2 Å²	62.2	30%	0.304	30%	0.296	S	S	.	.			trans	-75	92.6	169.5	-178.9	177.9	-26.6	0	0	108	T720 W732 N734	T720-Q730 HydrophobicContact CG2-CB 4.19Å; Q730-W732 VanDerWaalsContact C-N 3.27Å; Q730-W732 HydrophobicContact CG-CD2 3.87Å; Q730-W732 HydrophobicContact CG-CE3 4.26Å; Q730-W732 HydrophobicContact CG-CG 4.33Å; Q730-W732 HydrophobicContact CG-CH2 4.29Å; Q730-W732 HydrophobicContact CG-CZ2 3.89Å; Q730-W732 HydrophobicContact CG-CZ3 4.45Å; Q730-W732 WeakPolarHBondContact CG-O 3.47Å; Q730-W732 PolarHBondContact NE2-O 3.38Å; Q730-N734 PolarHBondContact NE2-OD1 3.07Å
731	Y	97.7	Very high	89.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.286	C	S	.	.			trans	-86.7	1.4	-176.8	62.2	-93.9	0	0	0	113.3	P694 F702 W703 V714 M716 H729 H775 H814	P694-Y731 HydrophobicContact CB-CD1 4.13Å; P694-Y731 HydrophobicContact CB-CG 4.33Å; P694-Y731 HydrophobicContact CG-CD1 3.61Å; P694-Y731 HydrophobicContact CG-CE1 4.1Å; P694-Y731 HydrophobicContact CG-CG 3.94Å; F702-Y731 AromaticContact CD1-CD2 3.88Å; F702-Y731 HydrophobicContact CD1-CD2 3.88Å; F702-Y731 AromaticContact CD1-CE2 3.98Å; F702-Y731 HydrophobicContact CD1-CE2 3.98Å; F702-Y731 HydrophobicContact CD1-CG 4.43Å; F702-Y731 AromaticContact CE1-CD2 3.65Å; F702-Y731 HydrophobicContact CE1-CD2 3.65Å; F702-Y731 HydrophobicContact CE1-CE1 4.43Å; F702-Y731 AromaticContact CE1-CE2 3.25Å; F702-Y731 HydrophobicContact CE1-CE2 3.25Å; F702-Y731 HydrophobicContact CE1-CG 4.39Å; F702-Y731 AromaticContact CE1-CZ 3.68Å; F702-Y731 HydrophobicContact CZ-CD2 4.45Å; F702-Y731 HydrophobicContact CZ-CE1 4.33Å; F702-Y731 AromaticContact CZ-CE2 3.83Å; F702-Y731 HydrophobicContact CZ-CE2 3.83Å; F702-Y731 AromaticContact CZ-CZ 3.73Å; W703-Y731 AromaticContact CE2-CD2 3.88Å; W703-Y731 HydrophobicContact CH2-CE2 4.45Å; W703-Y731 AromaticContact CZ2-CD2 3.71Å; W703-Y731 HydrophobicContact CZ2-CD2 3.71Å; W703-Y731 AromaticContact CZ2-CE2 3.92Å; W703-Y731 HydrophobicContact CZ2-CE2 3.92Å; W703-Y731 AromaticContact NE1-CD2 3.86Å; W703-Y731 PolarHBondContact NE1-O 3.19Å; V714-Y731 WeakPolarHBondContact CG1-OH 3.42Å; M716-Y731 HydrophobicContact SD-CE1 4.37Å; H729-Y731 VanDerWaalsContact C-N 3.34Å; H729-Y731 WeakPolarHBondContact O-CD1 3.3Å; H729-Y731 PolarHBondContact O-N 2.92Å; Y731-H775 AromaticContact CZ-CD2 3.9Å; Y731-H775 AromaticContact CZ-NE2 3.66Å; Y731-H775 PolarHBondContact OH-CD2 2.9Å; Y731-H775 VanDerWaalsContact OH-CD2 3.24Å; Y731-H775 PolarHBondContact OH-NE2 3.38Å; Y731-H814 AromaticContact CE1-CE1 3.65Å; Y731-H814 AromaticContact CE1-NE2 3.36Å; Y731-H814 WeakPolarHBondContact CE1-NE2 3.45Å; Y731-H814 AromaticContact CZ-NE2 3.46Å; Y731-H814 PolarHBondContact OH-NE2 3.06Å
732	W	98.3	Very high	90	Very high	6 Å²	6	59.2 Å²	59.2	2%	0.023	29%	0.286	C	S	.	.	S	Bend	trans	-113.1	151.2	178.2	64.6	92.8	0	0	0	110.7	M716 T720 Q730 Q739 R760 L762 H775	M716-W732 HydrophobicContact CE-CH2 3.72Å; M716-W732 HydrophobicContact CE-CZ3 3.95Å; M716-W732 HydrophobicContact SD-CH2 3.42Å; M716-W732 WeakPolarHBondContact SD-CH2 3.48Å; M716-W732 HydrophobicContact SD-CZ3 3.38Å; M716-W732 WeakPolarHBondContact SD-CZ3 3.3Å; T720-W732 HydrophobicContact CG2-CH2 3.7Å; T720-W732 HydrophobicContact CG2-CZ2 4.31Å; Q730-W732 VanDerWaalsContact C-N 3.27Å; Q730-W732 HydrophobicContact CG-CD2 3.87Å; Q730-W732 HydrophobicContact CG-CE3 4.26Å; Q730-W732 HydrophobicContact CG-CG 4.33Å; Q730-W732 HydrophobicContact CG-CH2 4.29Å; Q730-W732 HydrophobicContact CG-CZ2 3.89Å; Q730-W732 HydrophobicContact CG-CZ3 4.45Å; Q730-W732 WeakPolarHBondContact CG-O 3.47Å; Q730-W732 PolarHBondContact NE2-O 3.38Å; W732-Q739 PolarHBondContact O-NE2 3.45Å; W732-R760 VanDerWaalsContact CD1-CD 3.5Å; W732-L762 HydrophobicContact CB-CD1 4.13Å; W732-H775 AromaticContact CE3-NE2 3.84Å
733	P	98.1	Very high	90.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.5	159	173.4	30.2	-36.8	0	0	0	112.3	E737 Q739 I746 C748	P733-E737 HydrophobicContact CB-CB 3.96Å; P733-E737 WeakPolarHBondContact CB-O 3.24Å; P733-E737 WeakPolarHBondContact CG-O 3.32Å; P733-Q739 HydrophobicContact CB-CB 4.49Å; P733-Q739 HydrophobicContact CB-CG 3.99Å; P733-I746 HydrophobicContact CG-CG2 4.26Å; P733-I746 WeakPolarHBondContact CG-O 3.48Å; P733-C748 HydrophobicContact CG-CB 3.92Å
734	N	97.6	Very high	92.1	Very high	73 Å²	73	59.1 Å²	59.1	39%	0.39	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-70.3	167.3	166.8	-54.2	-57.2	0	0	0	110.4	Q730 Y736 E737 C748	Q730-N734 PolarHBondContact NE2-OD1 3.07Å; N734-Y736 PolarHBondContact O-N 2.98Å; N734-E737 HydrophobicContact CB-CG 4.24Å; N734-E737 WeakPolarHBondContact CB-OE2 3.34Å; N734-E737 PolarHBondContact N-OE2 2.93Å; N734-E737 PolarHBondContact ND2-OE2 3.21Å; N734-E737 WeakPolarHBondContact O-CB 3.24Å; N734-E737 PolarHBondContact O-N 3.38Å; N734-C748 WeakPolarHBondContact O-CB 3.48Å
735	L	98.2	Very high	93.7	Very high	58 Å²	58	61.7 Å²	61.7	30%	0.304	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-51.7	127.4	178.3	-175.4	62.8	0	0	0	112	E737 E751	L735-E737 PolarHBondContact O-N 2.91Å; L735-E751 HydrophobicContact CB-CB 4.37Å; L735-E751 HydrophobicContact CD1-CB 4.04Å; L735-E751 HydrophobicContact CD2-CB 4.48Å
736	Y	97.6	Very high	95.1	Very high	182 Å²	182	55.8 Å²	55.8	71%	0.714	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	6	-175.7	-47	-53.3	0	0	0	116.4	N734 C748	N734-Y736 PolarHBondContact O-N 2.98Å; Y736-C748 WeakPolarHBondContact CA-O 3.21Å; Y736-C748 PolarHBondContact N-O 2.71Å
737	E	98.5	Very high	96.1	Very high	95 Å²	95	54.6 Å²	54.6	44%	0.444	26%	0.261	S	S	.	.			trans	-92.8	158.9	170.7	-64.2	-179.1	174	0	0	111.4	P733 N734 L735 T747 C748	P733-E737 HydrophobicContact CB-CB 3.96Å; P733-E737 WeakPolarHBondContact CB-O 3.24Å; P733-E737 WeakPolarHBondContact CG-O 3.32Å; N734-E737 HydrophobicContact CB-CG 4.24Å; N734-E737 WeakPolarHBondContact CB-OE2 3.34Å; N734-E737 PolarHBondContact N-OE2 2.93Å; N734-E737 PolarHBondContact ND2-OE2 3.21Å; N734-E737 WeakPolarHBondContact O-CB 3.24Å; N734-E737 PolarHBondContact O-N 3.38Å; L735-E737 PolarHBondContact O-N 2.91Å; E737-T747 WeakPolarHBondContact O-CA 3.28Å; E737-C748 PolarHBondContact O-N 2.8Å
738	T	98	Very high	96.7	Very high	58 Å²	58	52.5 Å²	52.5	36%	0.356	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134	179.1	-57.7	0	0	0	0	110.3	E745 I746 T747	T738-E745 HydrophobicContact CG2-CG 3.24Å; T738-E745 WeakPolarHBondContact CG2-OE1 3.38Å; T738-I746 CarbonylContact C-O 3.58Å; T738-I746 VanDerWaalsContact CA-O 3.27Å; T738-I746 WeakPolarHBondContact CA-O 3.25Å; T738-T747 WeakPolarHBondContact CG2-OG1 3.43Å; T738-T747 PolarHBondContact OG1-OG1 3.43Å
739	Q	97.5	Very high	96.9	Very high	55 Å²	55	54.7 Å²	54.7	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.4	173.2	-76.2	178.1	12.2	0	0	111	W732 P733 H741 I746	W732-Q739 PolarHBondContact O-NE2 3.45Å; P733-Q739 HydrophobicContact CB-CB 4.49Å; P733-Q739 HydrophobicContact CB-CG 3.99Å; Q739-H741 PolarHBondContact OE1-NE2 3.41Å; Q739-H741 VanDerWaalsContact OE1-NE2 3.07Å; Q739-I746 PolarHBondContact N-O 3.46Å; Q739-I746 PolarHBondContact O-N 3.33Å
740	H	96.5	Very high	97.2	Very high	139 Å²	139	59 Å²	59	64%	0.644	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.6	178.4	-64.3	78.1	0	0	0	110.1	L744	H740-L744 WeakPolarHBondContact CA-O 3.1Å
741	H	94.7	Very high	97.3	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	87.3	-178.4	-71.9	-87.2	0	0	0	108.7	T699 W703 Q739 R743 L744 I746	T699-H741 VanDerWaalsContact CB-CE1 3.46Å; T699-H741 WeakPolarHBondContact CB-CE1 3.47Å; T699-H741 PolarHBondContact OG1-CE1 3.22Å; T699-H741 PolarHBondContact OG1-ND1 3.47Å; W703-H741 HydrophobicContact CB-CB 4.29Å; W703-H741 AromaticContact CD1-CD2 3.72Å; W703-H741 AromaticContact CD1-CE1 3.95Å; W703-H741 AromaticContact CD1-CG 3.56Å; W703-H741 AromaticContact CD1-ND1 3.74Å; W703-H741 AromaticContact CD1-NE2 3.92Å; W703-H741 HydrophobicContact CG-CB 4.46Å; W703-H741 AromaticContact NE1-NE2 3.94Å; Q739-H741 PolarHBondContact OE1-NE2 3.41Å; Q739-H741 VanDerWaalsContact OE1-NE2 3.07Å; H741-R743 PolarHBondContact O-N 3.09Å; H741-L744 PolarHBondContact N-O 3.33Å; H741-L744 WeakPolarHBondContact O-CB 3.28Å; H741-L744 PolarHBondContact O-N 3.03Å; H741-L744 VanDerWaalsContact O-N 3.09Å; H741-I746 HydrophobicContact CB-CD1 3.77Å; H741-I746 WeakPolarHBondContact CD2-CD1 3.29Å
742	G	91.9	Very high	97.3	Very high	40 Å²	40	62.1 Å²	62.1	41%	0.412	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	-114	-172.8	0	0	0	0	0	111.5	Q665	Q665-G742 VanDerWaalsContact NE2-CA 3.33Å
743	R	93.7	Very high	97	Very high	148 Å²	148	70 Å²	70	56%	0.558	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.1	176.3	-62.9	-175.4	-65.1	176.3	-1.7	113.4	H741	H741-R743 PolarHBondContact O-N 3.09Å
744	L	97	Very high	96.6	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.4	-175.6	-56.9	174.6	0	0	0	109.7	W703 W707 H740 H741 I746 V764 I765 C766	W703-L744 HydrophobicContact CB-CD1 3.79Å; W703-L744 WeakPolarHBondContact O-CD1 3.45Å; W707-L744 HydrophobicContact CB-CD1 3.96Å; W707-L744 HydrophobicContact CB-CD2 4.18Å; W707-L744 HydrophobicContact CD2-CD2 3.79Å; W707-L744 HydrophobicContact CE3-CD2 4.01Å; W707-L744 HydrophobicContact CG-CD1 4.49Å; W707-L744 HydrophobicContact CG-CD2 3.84Å; H740-L744 WeakPolarHBondContact CA-O 3.1Å; H741-L744 PolarHBondContact N-O 3.33Å; H741-L744 WeakPolarHBondContact O-CB 3.28Å; H741-L744 PolarHBondContact O-N 3.03Å; H741-L744 VanDerWaalsContact O-N 3.09Å; L744-I746 HydrophobicContact CB-CD1 3.87Å; L744-V764 HydrophobicContact CB-CG1 4.43Å; L744-V764 HydrophobicContact CD2-CG1 4.24Å; L744-I765 WeakPolarHBondContact CA-O 3.34Å; L744-C766 HydrophobicContact CD2-CB 3.49Å; L744-C766 VanDerWaalsContact CD2-CB 3.49Å
745	E	98.2	Very high	96	Very high	75 Å²	75	79 Å²	79	35%	0.35	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.8	168.6	-175.7	-177.6	158.3	0	0	107.9	T738 V764 I765	T738-E745 HydrophobicContact CG2-CG 3.24Å; T738-E745 WeakPolarHBondContact CG2-OE1 3.38Å; E745-V764 WeakPolarHBondContact O-CA 3.38Å; E745-I765 HydrophobicContact CB-CB 4.35Å; E745-I765 PolarHBondContact N-O 3.1Å; E745-I765 PolarHBondContact O-N 3.1Å
746	I	98.6	Very high	95.7	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	-178.8	-58.9	100.7	0	0	0	109.3	W703 P733 T738 Q739 H741 L744 L762 S763 V764	W703-I746 HydrophobicContact CB-CD1 4.34Å; W703-I746 HydrophobicContact CD2-CD1 4.03Å; W703-I746 HydrophobicContact CD2-CG1 4Å; W703-I746 HydrophobicContact CE3-CG1 4.22Å; W703-I746 HydrophobicContact CG-CD1 3.86Å; W703-I746 HydrophobicContact CG-CG1 4.37Å; W703-I746 HydrophobicContact CH2-CG2 4.14Å; W703-I746 HydrophobicContact CZ2-CG2 3.97Å; P733-I746 HydrophobicContact CG-CG2 4.26Å; P733-I746 WeakPolarHBondContact CG-O 3.48Å; T738-I746 CarbonylContact C-O 3.58Å; T738-I746 VanDerWaalsContact CA-O 3.27Å; T738-I746 WeakPolarHBondContact CA-O 3.25Å; Q739-I746 PolarHBondContact N-O 3.46Å; Q739-I746 PolarHBondContact O-N 3.33Å; H741-I746 HydrophobicContact CB-CD1 3.77Å; H741-I746 WeakPolarHBondContact CD2-CD1 3.29Å; L744-I746 HydrophobicContact CB-CD1 3.87Å; I746-L762 HydrophobicContact CG2-CB 4.32Å; I746-S763 CarbonylContact C-O 3.51Å; I746-S763 VanDerWaalsContact CA-O 3.3Å; I746-S763 WeakPolarHBondContact CA-O 3.49Å; I746-V764 HydrophobicContact CG1-CB 4.45Å; I746-V764 HydrophobicContact CG1-CG1 4.11Å; I746-V764 HydrophobicContact CG1-CG2 3.9Å; I746-V764 HydrophobicContact CG2-CG2 4.24Å
747	T	98.7	Very high	95.5	Very high	26 Å²	26	69.3 Å²	69.3	16%	0.16	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.7	179.9	-61.1	0	0	0	0	110.4	E737 T738 V749 L762 S763	E737-T747 WeakPolarHBondContact O-CA 3.28Å; T738-T747 WeakPolarHBondContact CG2-OG1 3.43Å; T738-T747 PolarHBondContact OG1-OG1 3.43Å; T747-V749 HydrophobicContact CG2-CG1 4.27Å; T747-V749 PolarHBondContact O-N 2.99Å; T747-L762 CarbonylContact O-C 3.55Å; T747-L762 WeakPolarHBondContact O-CA 3.42Å; T747-S763 PolarHBondContact N-O 2.85Å; T747-S763 PolarHBondContact O-N 2.82Å
748	C	98.7	Very high	95.5	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	108.2	172.5	-178.3	0	0	0	0	109.7	P733 N734 Y736 E737 R750 L762	P733-C748 HydrophobicContact CG-CB 3.92Å; N734-C748 WeakPolarHBondContact O-CB 3.48Å; Y736-C748 WeakPolarHBondContact CA-O 3.21Å; Y736-C748 PolarHBondContact N-O 2.71Å; E737-C748 PolarHBondContact O-N 2.8Å; C748-R750 PolarHBondContact SG-O 3.02Å; C748-R750 VanDerWaalsContact SG-O 3.35Å; C748-L762 HydrophobicContact CB-CD2 3.61Å
749	V	98.5	Very high	95.5	Very high	47 Å²	47	64.9 Å²	64.9	29%	0.285	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-30.3	-175.9	-60.3	0	0	0	0	112.2	T747 E761 L772	T747-V749 HydrophobicContact CG2-CG1 4.27Å; T747-V749 PolarHBondContact O-N 2.99Å; V749-E761 HydrophobicContact CG2-CB 3.79Å; V749-E761 HydrophobicContact CG2-CG 3.79Å; V749-E761 VanDerWaalsContact CG2-O 3.28Å; V749-E761 WeakPolarHBondContact CG2-O 3.38Å; V749-E761 PolarHBondContact N-O 2.66Å; V749-L772 HydrophobicContact CG2-CD2 4.37Å
750	R	98.2	Very high	95.5	Very high	158 Å²	158	63.2 Å²	63.2	60%	0.596	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.8	175	-61.9	-174.6	176.1	133.4	-5	111.1	C748 R760 E761	C748-R750 PolarHBondContact SG-O 3.02Å; C748-R750 VanDerWaalsContact SG-O 3.35Å; R750-R760 CarbonylContact O-C 3.55Å; R750-R760 VanDerWaalsContact O-CA 3.27Å; R750-R760 WeakPolarHBondContact O-CA 3.37Å; R750-E761 HydrophobicContact CB-CB 3.95Å; R750-E761 WeakPolarHBondContact CD-OE2 3.48Å; R750-E761 IonicContact CZ-OE2 3.86Å; R750-E761 PolarHBondContact N-O 2.9Å; R750-E761 IonicContact NH1-OE1 2.92Å; R750-E761 IonicContact NH1-OE2 3.94Å; R750-E761 PolarHBondContact NH1-OE2 3.43Å; R750-E761 PolarHBondContact O-N 2.93Å
751	E	97.9	Very high	95.6	Very high	59 Å²	59	59.1 Å²	59.1	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.9	171.9	-179.3	164.5	-136.3	0	0	108.8	L735 I759 R760	L735-E751 HydrophobicContact CB-CB 4.37Å; L735-E751 HydrophobicContact CD1-CB 4.04Å; L735-E751 HydrophobicContact CD2-CB 4.48Å; E751-I759 CarbonylContact C-O 3.6Å; E751-I759 WeakPolarHBondContact CA-O 3.15Å; E751-R760 HydrophobicContact CB-CG 4.29Å; E751-R760 HydrophobicContact CG-CG 4.03Å; E751-R760 IonicContact OE1-CZ 2.68Å; E751-R760 IonicContact OE1-NE 2.8Å; E751-R760 PolarHBondContact OE1-NE 3.38Å; E751-R760 IonicContact OE1-NH2 3.61Å; E751-R760 PolarHBondContact OE1-NH2 3.37Å
752	S	96.1	Very high	95.8	Very high	73 Å²	73	58.6 Å²	58.6	51%	0.51	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	110.5	175.5	-64.3	0	0	0	0	108.3	A758 I759	S752-A758 CarbonylContact O-C 3.56Å; S752-A758 WeakPolarHBondContact O-CA 3.49Å; S752-I759 PolarHBondContact N-O 3.42Å; S752-I759 PolarHBondContact O-N 3.49Å
753	E	93.1	Very high	96.1	Very high	171 Å²	171	56.9 Å²	56.9	80%	0.799	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.1	171.1	-67.8	-173	167.3	0	0	109.8
754	T	88.8	Confident	96.4	Very high	60 Å²	60	49.9 Å²	49.9	37%	0.368	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	163.9	175	70.4	0	0	0	0	109	I756 G757	T754-I756 PolarHBondContact O-N 2.72Å; T754-I756 VanDerWaalsContact O-N 3.1Å; T754-I756 WeakPolarHBondContact OG1-CG1 3.47Å; T754-I756 PolarHBondContact OG1-N 3.41Å; T754-G757 PolarHBondContact N-O 3.01Å; T754-G757 PolarHBondContact O-N 3.19Å; T754-G757 PolarHBondContact OG1-N 3.39Å; T754-G757 PolarHBondContact OG1-O 2.86Å
755	Y	86.6	Confident	96.4	Very high	203 Å²	203	52.2 Å²	52.2	80%	0.796	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	176.2	175.8	-98.2	0	0	0	113	E792	Y755-E792 WeakPolarHBondContact CE1-OE1 3.3Å
756	I	91.1	Very high	96.3	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.128	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.3	-175.9	62.7	176.6	0	0	0	114	T754 Y778 S779 A780 E792 F796	T754-I756 PolarHBondContact O-N 2.72Å; T754-I756 VanDerWaalsContact O-N 3.1Å; T754-I756 WeakPolarHBondContact OG1-CG1 3.47Å; T754-I756 PolarHBondContact OG1-N 3.41Å; I756-Y778 HydrophobicContact CB-CD2 4.17Å; I756-Y778 HydrophobicContact CB-CE2 4.05Å; I756-Y778 HydrophobicContact CD1-CD2 4.01Å; I756-Y778 HydrophobicContact CD1-CE2 4.14Å; I756-Y778 HydrophobicContact CG1-CD2 4.34Å; I756-Y778 HydrophobicContact CG2-CE2 4.49Å; I756-S779 PolarHBondContact O-N 3.39Å; I756-S779 PolarHBondContact O-OG 3.18Å; I756-A780 HydrophobicContact CB-CB 3.98Å; I756-A780 HydrophobicContact CG2-CB 4.18Å; I756-A780 PolarHBondContact O-N 3.26Å; I756-A780 VanDerWaalsContact O-N 3.08Å; I756-E792 HydrophobicContact CG2-CB 4.02Å; I756-E792 HydrophobicContact CG2-CG 4.13Å; I756-F796 HydrophobicContact CD1-CB 3.9Å; I756-F796 HydrophobicContact CD1-CD2 3.97Å; I756-F796 HydrophobicContact CD1-CG 4.35Å
757	G	94.1	Very high	95.9	Very high	10 Å²	10	54.2 Å²	54.2	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-130.3	-176.4	0	0	0	0	0	113.2	T754 Q777 S779	T754-G757 PolarHBondContact N-O 3.01Å; T754-G757 PolarHBondContact O-N 3.19Å; T754-G757 PolarHBondContact OG1-N 3.39Å; T754-G757 PolarHBondContact OG1-O 2.86Å; G757-Q777 WeakPolarHBondContact CA-O 3.47Å; G757-S779 VanDerWaalsContact CA-OG 3.29Å; G757-S779 WeakPolarHBondContact CA-OG 3.5Å
758	A	97.4	Very high	95.6	Very high	5 Å²	5	62.5 Å²	62.5	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.1	-176.2	0	0	0	0	0	111.7	S752 Q777	S752-A758 CarbonylContact O-C 3.56Å; S752-A758 WeakPolarHBondContact O-CA 3.49Å; A758-Q777 HydrophobicContact CB-CB 4.48Å; A758-Q777 PolarHBondContact N-O 3.16Å; A758-Q777 WeakPolarHBondContact O-CA 3.45Å; A758-Q777 WeakPolarHBondContact O-CB 3.47Å; A758-Q777 PolarHBondContact O-N 3.42Å
759	I	98.1	Very high	95.5	Very high	55 Å²	55	66.9 Å²	66.9	28%	0.282	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	171.3	-60.3	175.6	0	0	0	108	E751 S752 H775 M776	E751-I759 CarbonylContact C-O 3.6Å; E751-I759 WeakPolarHBondContact CA-O 3.15Å; S752-I759 PolarHBondContact N-O 3.42Å; S752-I759 PolarHBondContact O-N 3.49Å; I759-H775 CarbonylContact C-O 3.55Å; I759-H775 WeakPolarHBondContact CA-O 3.43Å; I759-M776 HydrophobicContact CD1-CE 4.07Å
760	R	98.2	Very high	95.5	Very high	20 Å²	20	70.2 Å²	70.2	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.2	179.7	-57.9	175.9	-177.2	89.8	14	110.2	W732 R750 E751 L762 H775	W732-R760 VanDerWaalsContact CD1-CD 3.5Å; R750-R760 CarbonylContact O-C 3.55Å; R750-R760 VanDerWaalsContact O-CA 3.27Å; R750-R760 WeakPolarHBondContact O-CA 3.37Å; E751-R760 HydrophobicContact CB-CG 4.29Å; E751-R760 HydrophobicContact CG-CG 4.03Å; E751-R760 IonicContact OE1-CZ 2.68Å; E751-R760 IonicContact OE1-NE 2.8Å; E751-R760 PolarHBondContact OE1-NE 3.38Å; E751-R760 IonicContact OE1-NH2 3.61Å; E751-R760 PolarHBondContact OE1-NH2 3.37Å; R760-L762 HydrophobicContact CB-CD2 4.12Å; R760-L762 HydrophobicContact CB-CG 4.35Å; R760-H775 HydrophobicContact CB-CB 4.15Å; R760-H775 PolarHBondContact N-O 3.04Å; R760-H775 PolarHBondContact NH1-CE1 3.3Å; R760-H775 PolarHBondContact NH1-ND1 3.03Å; R760-H775 PolarHBondContact O-N 2.79Å
761	E	98.5	Very high	95.5	Very high	54 Å²	54	64.2 Å²	64.2	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.4	167.6	-165	-178.5	136.6	0	0	106.7	V749 R750 L772	V749-E761 HydrophobicContact CG2-CB 3.79Å; V749-E761 HydrophobicContact CG2-CG 3.79Å; V749-E761 VanDerWaalsContact CG2-O 3.28Å; V749-E761 WeakPolarHBondContact CG2-O 3.38Å; V749-E761 PolarHBondContact N-O 2.66Å; R750-E761 HydrophobicContact CB-CB 3.95Å; R750-E761 WeakPolarHBondContact CD-OE2 3.48Å; R750-E761 IonicContact CZ-OE2 3.86Å; R750-E761 PolarHBondContact N-O 2.9Å; R750-E761 IonicContact NH1-OE1 2.92Å; R750-E761 IonicContact NH1-OE2 3.94Å; R750-E761 PolarHBondContact NH1-OE2 3.43Å; R750-E761 PolarHBondContact O-N 2.93Å; E761-L772 HydrophobicContact CG-CD2 4.29Å
762	L	98.7	Very high	95.5	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.5	-175.5	-55.5	177.4	0	0	0	108.6	W703 W732 I746 T747 C748 R760 L772 I773 H775	W703-L762 HydrophobicContact CH2-CD1 3.55Å; W703-L762 HydrophobicContact CZ2-CD1 4.06Å; W732-L762 HydrophobicContact CB-CD1 4.13Å; I746-L762 HydrophobicContact CG2-CB 4.32Å; T747-L762 CarbonylContact O-C 3.55Å; T747-L762 WeakPolarHBondContact O-CA 3.42Å; C748-L762 HydrophobicContact CB-CD2 3.61Å; R760-L762 HydrophobicContact CB-CD2 4.12Å; R760-L762 HydrophobicContact CB-CG 4.35Å; L762-L772 WeakPolarHBondContact O-CA 3.19Å; L762-I773 HydrophobicContact CB-CB 4.39Å; L762-I773 PolarHBondContact N-O 2.77Å; L762-I773 PolarHBondContact O-N 3.15Å; L762-H775 HydrophobicContact CD1-CB 3.73Å; L762-H775 HydrophobicContact CG-CB 4.25Å
763	S	98.6	Very high	95.6	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.028	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.1	167.7	168	0	0	0	0	108.4	I746 T747 E770	I746-S763 CarbonylContact C-O 3.51Å; I746-S763 VanDerWaalsContact CA-O 3.3Å; I746-S763 WeakPolarHBondContact CA-O 3.49Å; T747-S763 PolarHBondContact N-O 2.85Å; T747-S763 PolarHBondContact O-N 2.82Å; S763-E770 WeakPolarHBondContact CB-OE1 3.48Å; S763-E770 WeakPolarHBondContact OG-CG 3.5Å; S763-E770 PolarHBondContact OG-OE1 3.37Å
764	V	98.6	Very high	95.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.1	175	-177.2	0	0	0	0	108	W703 W707 L744 E745 I746 E770 R771 I773	W703-V764 HydrophobicContact CE3-CG2 4.21Å; W703-V764 HydrophobicContact CZ3-CG2 3.86Å; W707-V764 HydrophobicContact CE3-CB 4.45Å; W707-V764 HydrophobicContact CE3-CG1 3.68Å; W707-V764 HydrophobicContact CZ3-CB 4.43Å; W707-V764 HydrophobicContact CZ3-CG1 4Å; W707-V764 WeakPolarHBondContact CZ3-O 3.26Å; L744-V764 HydrophobicContact CB-CG1 4.43Å; L744-V764 HydrophobicContact CD2-CG1 4.24Å; E745-V764 WeakPolarHBondContact O-CA 3.38Å; I746-V764 HydrophobicContact CG1-CB 4.45Å; I746-V764 HydrophobicContact CG1-CG1 4.11Å; I746-V764 HydrophobicContact CG1-CG2 3.9Å; I746-V764 HydrophobicContact CG2-CG2 4.24Å; V764-E770 WeakPolarHBondContact O-CA 3.47Å; V764-R771 PolarHBondContact N-O 2.8Å; V764-R771 PolarHBondContact O-N 2.96Å; V764-I773 HydrophobicContact CB-CG1 4.29Å; V764-I773 HydrophobicContact CG2-CG1 3.57Å
765	I	98	Very high	96.3	Very high	49 Å²	49	52.7 Å²	52.7	25%	0.251	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.4	-178.3	-57.4	173.8	0	0	0	109.1	L744 E745 E769 E770	L744-I765 WeakPolarHBondContact CA-O 3.34Å; E745-I765 HydrophobicContact CB-CB 4.35Å; E745-I765 PolarHBondContact N-O 3.1Å; E745-I765 PolarHBondContact O-N 3.1Å; I765-E769 WeakPolarHBondContact CA-O 3.38Å; I765-E770 HydrophobicContact CD1-CG 4.47Å; I765-E770 HydrophobicContact CG1-CB 4Å; I765-E770 HydrophobicContact CG1-CG 3.81Å
766	C	95.7	Very high	96.8	Very high	13 Å²	13	43.4 Å²	43.4	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	112.6	170.5	-166.6	0	0	0	0	109.2	W707 L744 E768 E769	W707-C766 HydrophobicContact CD2-CB 4.08Å; W707-C766 HydrophobicContact CE3-CB 4.34Å; W707-C766 HydrophobicContact CH2-CB 3.61Å; W707-C766 HydrophobicContact CZ2-CB 3.3Å; W707-C766 HydrophobicContact CZ3-CB 4.12Å; L744-C766 HydrophobicContact CD2-CB 3.49Å; L744-C766 VanDerWaalsContact CD2-CB 3.49Å; C766-E768 PolarHBondContact O-N 3.46Å; C766-E769 PolarHBondContact N-O 3.28Å; C766-E769 PolarHBondContact O-N 3.3Å; C766-E769 VanDerWaalsContact O-N 3.11Å
767	S	91	Very high	97.2	Very high	105 Å²	105	43.1 Å²	43.1	73%	0.734	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-105.2	-176.2	-44.8	0	0	0	0	111.5
768	E	91.6	Very high	97.3	Very high	200 Å²	200	42.7 Å²	42.7	94%	0.935	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-1.5	-178.5	-62.1	-178.6	-179	0	0	113.1	C766	C766-E768 PolarHBondContact O-N 3.46Å
769	E	97.3	Very high	97.1	Very high	92 Å²	92	44.8 Å²	44.8	43%	0.43	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	-177.8	-170.2	-175	173.2	0	0	110.6	W707 I765 C766 R771	W707-E769 HydrophobicContact CH2-CB 3.84Å; W707-E769 HydrophobicContact CH2-CG 3.8Å; W707-E769 WeakPolarHBondContact CH2-O 3.46Å; W707-E769 HydrophobicContact CZ2-CB 4.03Å; W707-E769 HydrophobicContact CZ2-CG 4.15Å; W707-E769 VanDerWaalsContact CZ2-OE2 3.32Å; W707-E769 WeakPolarHBondContact CZ2-OE2 3.46Å; I765-E769 WeakPolarHBondContact CA-O 3.38Å; C766-E769 PolarHBondContact N-O 3.28Å; C766-E769 PolarHBondContact O-N 3.3Å; C766-E769 VanDerWaalsContact O-N 3.11Å; E769-R771 IonicContact OE1-CZ 3.92Å; E769-R771 IonicContact OE1-NE 2.98Å; E769-R771 PolarHBondContact OE1-NE 2.89Å; E769-R771 IonicContact OE1-NH2 3.15Å; E769-R771 PolarHBondContact OE1-NH2 3.02Å; E769-R771 IonicContact OE2-CZ 3.17Å; E769-R771 IonicContact OE2-NH2 2.78Å; E769-R771 PolarHBondContact OE2-NH2 3.14Å
770	E	97.9	Very high	96.7	Very high	117 Å²	117	43.8 Å²	43.8	55%	0.547	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.2	173.6	179.6	176.3	-168.1	0	0	110	S763 V764 I765	S763-E770 WeakPolarHBondContact CB-OE1 3.48Å; S763-E770 WeakPolarHBondContact OG-CG 3.5Å; S763-E770 PolarHBondContact OG-OE1 3.37Å; V764-E770 WeakPolarHBondContact O-CA 3.47Å; I765-E770 HydrophobicContact CD1-CG 4.47Å; I765-E770 HydrophobicContact CG1-CB 4Å; I765-E770 HydrophobicContact CG1-CG 3.81Å
771	R	97.8	Very high	96.2	Very high	31 Å²	31	43.1 Å²	43.1	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.5	173.8	-59.7	-179.9	-167.3	152.9	5.1	110.6	W707 L710 V764 E769 I773	W707-R771 HydrophobicContact CH2-CG 4.09Å; W707-R771 HydrophobicContact CZ3-CB 4.22Å; W707-R771 HydrophobicContact CZ3-CG 3.81Å; W707-R771 PolarHBondContact O-NH1 3.38Å; L710-R771 VanDerWaalsContact CD2-CZ 3.45Å; V764-R771 PolarHBondContact N-O 2.8Å; V764-R771 PolarHBondContact O-N 2.96Å; E769-R771 IonicContact OE1-CZ 3.92Å; E769-R771 IonicContact OE1-NE 2.98Å; E769-R771 PolarHBondContact OE1-NE 2.89Å; E769-R771 IonicContact OE1-NH2 3.15Å; E769-R771 PolarHBondContact OE1-NH2 3.02Å; E769-R771 IonicContact OE2-CZ 3.17Å; E769-R771 IonicContact OE2-NH2 2.78Å; E769-R771 PolarHBondContact OE2-NH2 3.14Å; R771-I773 HydrophobicContact CB-CD1 4.12Å
772	L	97.6	Very high	95.3	Very high	88 Å²	88	42.9 Å²	42.9	46%	0.461	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.6	170.3	-67.2	172	0	0	0	110	V749 E761 L762	V749-L772 HydrophobicContact CG2-CD2 4.37Å; E761-L772 HydrophobicContact CG-CD2 4.29Å; L762-L772 WeakPolarHBondContact O-CA 3.19Å
773	I	98.3	Very high	93.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.2	-177.6	-46	-62	0	0	0	108.9	V706 C711 V714 L762 V764 R771	V706-I773 HydrophobicContact CG1-CD1 4.39Å; V706-I773 HydrophobicContact CG1-CG2 4.41Å; C711-I773 VanDerWaalsContact O-CD1 3.27Å; C711-I773 WeakPolarHBondContact O-CD1 3.44Å; V714-I773 HydrophobicContact CG2-CG2 3.92Å; L762-I773 HydrophobicContact CB-CB 4.39Å; L762-I773 PolarHBondContact N-O 2.77Å; L762-I773 PolarHBondContact O-N 3.15Å; V764-I773 HydrophobicContact CB-CG1 4.29Å; V764-I773 HydrophobicContact CG2-CG1 3.57Å; R771-I773 HydrophobicContact CB-CD1 4.12Å
774	S	98.1	Very high	91.4	Very high	29 Å²	29	52.9 Å²	52.9	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.2	172	-178.9	0	0	0	0	109.5	H712 T713 V714 S803	H712-S774 PolarHBondContact O-N 3.34Å; T713-S774 CarbonylContact C-O 3.58Å; T713-S774 VanDerWaalsContact CA-O 3.31Å; T713-S774 WeakPolarHBondContact CA-O 3.28Å; V714-S774 PolarHBondContact N-O 3.08Å; S774-S803 PolarHBondContact OG-OG 3.14Å
775	H	98.5	Very high	90.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.1	175.7	171.9	-71.7	0	0	0	110.1	V714 Y731 W732 I759 R760 L762	V714-H775 CarbonylContact O-C 3.48Å; V714-H775 WeakPolarHBondContact O-CA 3.35Å; Y731-H775 AromaticContact CZ-CD2 3.9Å; Y731-H775 AromaticContact CZ-NE2 3.66Å; Y731-H775 PolarHBondContact OH-CD2 2.9Å; Y731-H775 VanDerWaalsContact OH-CD2 3.24Å; Y731-H775 PolarHBondContact OH-NE2 3.38Å; W732-H775 AromaticContact CE3-NE2 3.84Å; I759-H775 CarbonylContact C-O 3.55Å; I759-H775 WeakPolarHBondContact CA-O 3.43Å; R760-H775 HydrophobicContact CB-CB 4.15Å; R760-H775 PolarHBondContact N-O 3.04Å; R760-H775 PolarHBondContact NH1-CE1 3.3Å; R760-H775 PolarHBondContact NH1-ND1 3.03Å; R760-H775 PolarHBondContact O-N 2.79Å; L762-H775 HydrophobicContact CD1-CB 3.73Å; L762-H775 HydrophobicContact CG-CB 4.25Å
776	M	98.5	Very high	89.6	Confident	9 Å²	9	54 Å²	54	4%	0.044	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.9	-174.5	-52.7	-177.8	98.4	0	0	110.3	T713 V714 V715 M716 I759 F796 D799 V800	T713-M776 HydrophobicContact CG2-CG 4.49Å; T713-M776 HydrophobicContact CG2-SD 4.11Å; V714-M776 PolarHBondContact O-N 2.96Å; V715-M776 CarbonylContact C-O 3.6Å; V715-M776 WeakPolarHBondContact CA-O 3.38Å; M716-M776 PolarHBondContact N-O 3.29Å; I759-M776 HydrophobicContact CD1-CE 4.07Å; M776-F796 HydrophobicContact CB-CE2 3.97Å; M776-F796 HydrophobicContact CB-CZ 3.82Å; M776-D799 HydrophobicContact CE-CB 3.8Å; M776-V800 HydrophobicContact SD-CG2 3.94Å
777	Q	98.3	Very high	89.3	Confident	19 Å²	19	54 Å²	54	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.4	-179.7	-173.5	176.7	9.1	0	0	111.4	M716 T718 G757 A758	M716-Q777 HydrophobicContact CB-CB 4.3Å; M716-Q777 HydrophobicContact CB-CG 4.17Å; M716-Q777 HydrophobicContact CG-CG 4Å; M716-Q777 CarbonylContact O-C 3.53Å; M716-Q777 VanDerWaalsContact O-CA 3.3Å; M716-Q777 WeakPolarHBondContact O-CA 3.49Å; M716-Q777 HydrophobicContact SD-CG 4.12Å; T718-Q777 PolarHBondContact O-NE2 3.45Å; G757-Q777 WeakPolarHBondContact CA-O 3.47Å; A758-Q777 HydrophobicContact CB-CB 4.48Å; A758-Q777 PolarHBondContact N-O 3.16Å; A758-Q777 WeakPolarHBondContact O-CA 3.45Å; A758-Q777 WeakPolarHBondContact O-CB 3.47Å; A758-Q777 PolarHBondContact O-N 3.42Å
778	Y	97.3	Very high	88.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.2	168.3	-174.9	-89.3	0	0	0	109.6	M716 L717 T718 I756 A780 W781 L793 F796	M716-Y778 PolarHBondContact O-N 3.39Å; L717-Y778 CarbonylContact C-O 3.56Å; L717-Y778 WeakPolarHBondContact CA-O 3.23Å; L717-Y778 HydrophobicContact CD2-CG 4.49Å; T718-Y778 PolarHBondContact N-O 2.92Å; I756-Y778 HydrophobicContact CB-CD2 4.17Å; I756-Y778 HydrophobicContact CB-CE2 4.05Å; I756-Y778 HydrophobicContact CD1-CD2 4.01Å; I756-Y778 HydrophobicContact CD1-CE2 4.14Å; I756-Y778 HydrophobicContact CG1-CD2 4.34Å; I756-Y778 HydrophobicContact CG2-CE2 4.49Å; Y778-A780 HydrophobicContact CE1-CB 4.31Å; Y778-A780 HydrophobicContact CE2-CB 4.34Å; Y778-W781 HydrophobicContact CD1-CB 4.2Å; Y778-W781 HydrophobicContact CE1-CB 3.81Å; Y778-W781 HydrophobicContact CE1-CE3 4.13Å; Y778-W781 VanDerWaalsContact CE1-N 3.31Å; Y778-L793 HydrophobicContact CD1-CD1 4.4Å; Y778-L793 HydrophobicContact CD2-CD1 4.49Å; Y778-L793 HydrophobicContact CE1-CD1 4.22Å; Y778-L793 HydrophobicContact CE2-CB 4.42Å; Y778-L793 HydrophobicContact CE2-CD1 4.3Å; Y778-F796 HydrophobicContact CD2-CB 3.96Å; Y778-F796 HydrophobicContact CD2-CD1 4.11Å; Y778-F796 HydrophobicContact CD2-CD2 4.1Å; Y778-F796 AromaticContact CD2-CG 3.78Å; Y778-F796 HydrophobicContact CD2-CG 3.78Å; Y778-F796 HydrophobicContact CE2-CB 4.35Å; Y778-F796 HydrophobicContact CG-CD1 4.37Å; Y778-F796 HydrophobicContact CG-CG 4.43Å
779	S	92.4	Very high	88.7	Confident	49 Å²	49	50.3 Å²	50.3	34%	0.343	28%	0.278	S	S	.	.			trans	-111.7	-5.7	-179.7	57.5	0	0	0	0	113.7	I756 G757 W781	I756-S779 PolarHBondContact O-N 3.39Å; I756-S779 PolarHBondContact O-OG 3.18Å; G757-S779 VanDerWaalsContact CA-OG 3.29Å; G757-S779 WeakPolarHBondContact CA-OG 3.5Å; S779-W781 PolarHBondContact O-N 2.88Å
780	A	90.3	Very high	88.5	Confident	35 Å²	35	46.6 Å²	46.6	29%	0.289	26%	0.262	S	S	.	.			trans	-74.7	4.3	177.9	0	0	0	0	0	115.1	I756 Y778	I756-A780 HydrophobicContact CB-CB 3.98Å; I756-A780 HydrophobicContact CG2-CB 4.18Å; I756-A780 PolarHBondContact O-N 3.26Å; I756-A780 VanDerWaalsContact O-N 3.08Å; Y778-A780 HydrophobicContact CE1-CB 4.31Å; Y778-A780 HydrophobicContact CE2-CB 4.34Å
781	W	87.7	Confident	88.2	Confident	6 Å²	6	47.8 Å²	47.8	2%	0.023	26%	0.262	C	S	.	.	S	Bend	trans	-70.5	123.2	175.4	-160.8	-63.9	0	0	0	109.8	Y778 S779 G785 V786 P787 L793 R821 V824 F866	Y778-W781 HydrophobicContact CD1-CB 4.2Å; Y778-W781 HydrophobicContact CE1-CB 3.81Å; Y778-W781 HydrophobicContact CE1-CE3 4.13Å; Y778-W781 VanDerWaalsContact CE1-N 3.31Å; S779-W781 PolarHBondContact O-N 2.88Å; W781-G785 PolarHBondContact NE1-O 3.19Å; W781-V786 HydrophobicContact CZ2-CG1 4.35Å; W781-P787 HydrophobicContact CD2-CG 4.31Å; W781-L793 HydrophobicContact CE3-CD1 4.41Å; W781-L793 HydrophobicContact CE3-CD2 4.35Å; W781-L793 HydrophobicContact CH2-CD2 4.13Å; W781-L793 HydrophobicContact CZ3-CD1 4.16Å; W781-L793 HydrophobicContact CZ3-CD2 3.57Å; W781-R821 HydrophobicContact CD2-CB 4.37Å; W781-R821 HydrophobicContact CD2-CG 3.63Å; W781-R821 HydrophobicContact CE3-CB 4.05Å; W781-R821 HydrophobicContact CE3-CG 3.82Å; W781-R821 HydrophobicContact CG-CG 4.07Å; W781-R821 VanDerWaalsContact CG-NE 3.34Å; W781-R821 HydrophobicContact CH2-CB 4.4Å; W781-R821 HydrophobicContact CH2-CG 4.28Å; W781-R821 HydrophobicContact CZ2-CG 4.12Å; W781-R821 HydrophobicContact CZ3-CB 4.05Å; W781-R821 HydrophobicContact CZ3-CG 4.14Å; W781-V824 HydrophobicContact CH2-CB 3.79Å; W781-V824 HydrophobicContact CH2-CG1 3.8Å; W781-V824 HydrophobicContact CH2-CG2 3.92Å; W781-V824 HydrophobicContact CZ3-CB 4.38Å; W781-V824 HydrophobicContact CZ3-CG1 4.34Å; W781-F866 HydrophobicContact CH2-CD1 4.35Å; W781-F866 HydrophobicContact CH2-CE1 4.01Å; W781-F866 HydrophobicContact CZ2-CE1 4.44Å
782	P	78.2	Confident	88	Confident	48 Å²	48	50.1 Å²	50.1	31%	0.312	27%	0.274	S	S	.	.			trans	-65.4	147	-174.7	26.7	-34.8	0	0	0	112.4	H784 V786 P787	P782-H784 VanDerWaalsContact C-N 3.29Å; P782-H784 PolarHBondContact O-N 3.48Å; P782-V786 WeakPolarHBondContact CG-O 3.46Å; P782-P787 HydrophobicContact CG-CG 4.49Å
783	D	58.4	Low	87.9	Confident	77 Å²	77	45.9 Å²	45.9	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	-63.1	-33.1	-179.4	-71	-20.7	0	0	0	113.7	R723	R723-D783 HydrophobicContact CG-CB 4.26Å; R723-D783 WeakPolarHBondContact CG-OD2 3.33Å; R723-D783 IonicContact CZ-OD2 3.3Å; R723-D783 IonicContact NE-OD2 2.72Å; R723-D783 PolarHBondContact NE-OD2 3.43Å; R723-D783 IonicContact NH2-OD2 3Å
784	H	57.9	Low	87.8	Confident	138 Å²	138	45.7 Å²	45.7	64%	0.639	25%	0.251	S	S	*	.	S	Bend	trans	-107.9	124.5	172.7	-73.4	-44.4	0	0	0	109.8	R723 P782	R723-H784 VanDerWaalsContact CZ-NE2 3.29Å; R723-H784 PolarHBondContact NH1-CE1 2.83Å; R723-H784 PolarHBondContact NH1-NE2 3.26Å; R723-H784 PolarHBondContact NH2-CD2 3.24Å; R723-H784 PolarHBondContact NH2-NE2 3.21Å; P782-H784 VanDerWaalsContact C-N 3.29Å; P782-H784 PolarHBondContact O-N 3.48Å
785	G	73.2	Confident	87.7	Confident	40 Å²	40	48.7 Å²	48.7	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	73.9	-128.1	172.3	0	0	0	0	0	113.6	W781	W781-G785 PolarHBondContact NE1-O 3.19Å
786	V	86.2	Confident	87.6	Confident	33 Å²	33	48.9 Å²	48.9	20%	0.2	27%	0.265	C	S	.	.			trans	-136.5	154.9	-167.5	-65.2	0	0	0	0	108.6	W781 P782 D788 A862 Q863 F866	W781-V786 HydrophobicContact CZ2-CG1 4.35Å; P782-V786 WeakPolarHBondContact CG-O 3.46Å; V786-D788 PolarHBondContact O-N 3.34Å; V786-A862 HydrophobicContact CG1-CB 4.45Å; V786-Q863 HydrophobicContact CG1-CB 4.41Å; V786-Q863 HydrophobicContact CG1-CG 3.94Å; V786-F866 HydrophobicContact CB-CB 3.84Å; V786-F866 HydrophobicContact CB-CD1 4.33Å; V786-F866 HydrophobicContact CB-CD2 3.9Å; V786-F866 HydrophobicContact CB-CG 3.76Å; V786-F866 HydrophobicContact CG1-CB 3.8Å; V786-F866 HydrophobicContact CG1-CD1 4.44Å; V786-F866 HydrophobicContact CG1-CG 4.09Å; V786-F866 HydrophobicContact CG2-CB 3.88Å; V786-F866 HydrophobicContact CG2-CD2 4.03Å; V786-F866 HydrophobicContact CG2-CG 4.13Å
787	P	88.8	Confident	87.6	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.084	26%	0.263	C	S	.	.			trans	-52.9	137.7	172.9	-23.7	32.6	0	0	0	111.3	W781 P782 D789 F866	W781-P787 HydrophobicContact CD2-CG 4.31Å; P782-P787 HydrophobicContact CG-CG 4.49Å; P787-D789 PolarHBondContact O-N 3.5Å; P787-F866 HydrophobicContact CB-CE2 3.89Å; P787-F866 HydrophobicContact CB-CZ 3.99Å; P787-F866 HydrophobicContact CG-CE2 4.13Å; P787-F866 HydrophobicContact CG-CZ 3.79Å; P787-F866 WeakPolarHBondContact O-CD2 3.44Å; P787-F866 WeakPolarHBondContact O-CE2 3.15Å
788	D	81.7	Confident	87.5	Confident	179 Å²	179	49 Å²	49	96%	0.957	27%	0.268	S	S	*	.	S	Bend	trans	-63.5	-29.7	176	-71.6	-39.5	0	0	0	111.7	V786	V786-D788 PolarHBondContact O-N 3.34Å
789	D	87.3	Confident	87.4	Confident	49 Å²	49	51.5 Å²	51.5	26%	0.262	28%	0.281	S	S	.	.			trans	-129.2	127.2	174.9	-166.5	-35.6	0	0	0	110.5	P787 R791 K873	P787-D789 PolarHBondContact O-N 3.5Å; D789-R791 VanDerWaalsContact CG-NE 3.35Å; D789-R791 PolarHBondContact O-N 3.17Å; D789-R791 WeakPolarHBondContact OD1-CB 3.43Å; D789-R791 VanDerWaalsContact OD1-CG 3.32Å; D789-R791 WeakPolarHBondContact OD1-CG 3.43Å; D789-R791 PolarHBondContact OD1-N 3.47Å; D789-R791 IonicContact OD1-NE 3.72Å; D789-R791 PolarHBondContact OD1-NE 3.4Å; D789-R791 IonicContact OD2-CZ 2.74Å; D789-R791 IonicContact OD2-NE 2.67Å; D789-R791 PolarHBondContact OD2-NE 2.84Å; D789-R791 IonicContact OD2-NH2 2.65Å; D789-R791 PolarHBondContact OD2-NH2 3.35Å; D789-K873 VanDerWaalsContact CG-NZ 3.26Å; D789-K873 IonicContact OD1-NZ 4Å; D789-K873 PolarHBondContact OD1-NZ 2.93Å; D789-K873 IonicContact OD2-NZ 2.85Å; D789-K873 PolarHBondContact OD2-NZ 3.31Å; D789-K873 VanDerWaalsContact OD2-NZ 3.13Å
790	P	93.1	Very high	87.6	Confident	14 Å²	14	49.1 Å²	49.1	9%	0.091	27%	0.265	C	S	.	.	S	Bend	trans	-75.3	-4.6	178.6	31	-37.3	0	0	0	114.6	E792 L793 I794 F866 A870 K873	P790-E792 PolarHBondContact O-N 3Å; P790-L793 PolarHBondContact O-N 2.52Å; P790-I794 HydrophobicContact CB-CD1 3.88Å; P790-I794 HydrophobicContact CB-CG1 4.33Å; P790-I794 HydrophobicContact CG-CD1 4.09Å; P790-I794 VanDerWaalsContact O-CG1 3.23Å; P790-I794 WeakPolarHBondContact O-CG1 3.35Å; P790-I794 PolarHBondContact O-N 2.77Å; P790-F866 HydrophobicContact CB-CE2 3.66Å; P790-F866 HydrophobicContact CB-CZ 3.63Å; P790-F866 HydrophobicContact CG-CE2 4.41Å; P790-A870 HydrophobicContact CB-CB 3.63Å; P790-A870 HydrophobicContact CG-CB 3.96Å; P790-K873 HydrophobicContact CG-CD 3.84Å
791	R	92.6	Very high	87.9	Confident	143 Å²	143	49.7 Å²	49.7	54%	0.54	26%	0.259	S	S	.	.	H	α-helix	trans	-51.2	-53.9	-174.3	-88.7	-179.2	-72.5	179.1	4	113.3	D789 L793 I794 D795	D789-R791 VanDerWaalsContact CG-NE 3.35Å; D789-R791 PolarHBondContact O-N 3.17Å; D789-R791 WeakPolarHBondContact OD1-CB 3.43Å; D789-R791 VanDerWaalsContact OD1-CG 3.32Å; D789-R791 WeakPolarHBondContact OD1-CG 3.43Å; D789-R791 PolarHBondContact OD1-N 3.47Å; D789-R791 IonicContact OD1-NE 3.72Å; D789-R791 PolarHBondContact OD1-NE 3.4Å; D789-R791 IonicContact OD2-CZ 2.74Å; D789-R791 IonicContact OD2-NE 2.67Å; D789-R791 PolarHBondContact OD2-NE 2.84Å; D789-R791 IonicContact OD2-NH2 2.65Å; D789-R791 PolarHBondContact OD2-NH2 3.35Å; R791-L793 VanDerWaalsContact C-N 3.3Å; R791-L793 PolarHBondContact O-N 3.06Å; R791-I794 WeakPolarHBondContact O-CB 3.49Å; R791-I794 PolarHBondContact O-N 2.9Å; R791-D795 PolarHBondContact O-N 3.17Å
792	E	93.3	Very high	88.2	Confident	79 Å²	79	57.4 Å²	57.4	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-40.5	-178.1	-71.8	176.1	-177.8	0	0	112.3	Y755 I756 P790 F796	Y755-E792 WeakPolarHBondContact CE1-OE1 3.3Å; I756-E792 HydrophobicContact CG2-CB 4.02Å; I756-E792 HydrophobicContact CG2-CG 4.13Å; P790-E792 PolarHBondContact O-N 3Å; E792-F796 WeakPolarHBondContact O-CB 3.4Å; E792-F796 PolarHBondContact O-N 3.44Å
793	L	96	Very high	88.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-39.3	174.6	-179.2	66.3	0	0	0	111.6	Y778 W781 P790 R791 F796 I797 V824 L828 F866	Y778-L793 HydrophobicContact CD1-CD1 4.4Å; Y778-L793 HydrophobicContact CD2-CD1 4.49Å; Y778-L793 HydrophobicContact CE1-CD1 4.22Å; Y778-L793 HydrophobicContact CE2-CB 4.42Å; Y778-L793 HydrophobicContact CE2-CD1 4.3Å; W781-L793 HydrophobicContact CE3-CD1 4.41Å; W781-L793 HydrophobicContact CE3-CD2 4.35Å; W781-L793 HydrophobicContact CH2-CD2 4.13Å; W781-L793 HydrophobicContact CZ3-CD1 4.16Å; W781-L793 HydrophobicContact CZ3-CD2 3.57Å; P790-L793 PolarHBondContact O-N 2.52Å; R791-L793 VanDerWaalsContact C-N 3.3Å; R791-L793 PolarHBondContact O-N 3.06Å; L793-F796 PolarHBondContact O-N 2.99Å; L793-I797 HydrophobicContact CD1-CD1 4.43Å; L793-I797 HydrophobicContact CG-CD1 4.06Å; L793-I797 VanDerWaalsContact O-CG1 3.24Å; L793-I797 WeakPolarHBondContact O-CG1 3.11Å; L793-I797 PolarHBondContact O-N 3.03Å; L793-V824 HydrophobicContact CD2-CG1 4.15Å; L793-L828 HydrophobicContact CD2-CD1 3.99Å; L793-F866 HydrophobicContact CD2-CE1 3.59Å; L793-F866 HydrophobicContact CD2-CZ 3.93Å
794	I	96.6	Very high	90.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-46	178.1	-68.9	161.5	0	0	0	110.6	P790 R791 F796 I797 V798 M832 A870 I874 I878	P790-I794 HydrophobicContact CB-CD1 3.88Å; P790-I794 HydrophobicContact CB-CG1 4.33Å; P790-I794 HydrophobicContact CG-CD1 4.09Å; P790-I794 VanDerWaalsContact O-CG1 3.23Å; P790-I794 WeakPolarHBondContact O-CG1 3.35Å; P790-I794 PolarHBondContact O-N 2.77Å; R791-I794 WeakPolarHBondContact O-CB 3.49Å; R791-I794 PolarHBondContact O-N 2.9Å; I794-F796 VanDerWaalsContact C-N 3.3Å; I794-F796 PolarHBondContact O-N 2.79Å; I794-I797 PolarHBondContact O-N 2.91Å; I794-I797 VanDerWaalsContact O-N 3.12Å; I794-V798 WeakPolarHBondContact O-CG2 3.45Å; I794-V798 PolarHBondContact O-N 3.02Å; I794-M832 HydrophobicContact CG2-CE 3.74Å; I794-A870 HydrophobicContact CD1-CB 4.46Å; I794-I874 HydrophobicContact CD1-CD1 4.31Å; I794-I874 HydrophobicContact CD1-CG1 3.71Å; I794-I874 HydrophobicContact CG1-CD1 4.1Å; I794-I874 HydrophobicContact CG1-CG1 3.92Å; I794-I874 HydrophobicContact CG2-CG1 4.13Å; I794-I878 HydrophobicContact CB-CD1 4.3Å; I794-I878 HydrophobicContact CD1-CD1 4.05Å; I794-I878 HydrophobicContact CG2-CD1 3.46Å; I794-I878 VanDerWaalsContact CG2-CD1 3.46Å; I794-I878 HydrophobicContact CG2-CG2 4.17Å
795	D	94.9	Very high	92.1	Very high	91 Å²	91	53 Å²	53	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-42	178.2	-66.1	-24.5	0	0	0	110.6	R791 I797 V798 D799	R791-D795 PolarHBondContact O-N 3.17Å; D795-I797 PolarHBondContact O-N 3.2Å; D795-V798 WeakPolarHBondContact O-CB 3.46Å; D795-V798 PolarHBondContact O-N 3.17Å; D795-V798 VanDerWaalsContact O-N 3.15Å; D795-D799 PolarHBondContact O-N 3Å
796	F	97.3	Very high	92.8	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-42.6	172.3	-179.1	-98.9	0	0	0	112.8	V715 L717 I756 M776 Y778 E792 L793 I794 V798 D799 V800 L825	V715-F796 HydrophobicContact CG1-CE1 3.68Å; V715-F796 HydrophobicContact CG1-CZ 3.93Å; L717-F796 HydrophobicContact CD2-CD1 4.49Å; L717-F796 HydrophobicContact CD2-CE1 3.85Å; I756-F796 HydrophobicContact CD1-CB 3.9Å; I756-F796 HydrophobicContact CD1-CD2 3.97Å; I756-F796 HydrophobicContact CD1-CG 4.35Å; M776-F796 HydrophobicContact CB-CE2 3.97Å; M776-F796 HydrophobicContact CB-CZ 3.82Å; Y778-F796 HydrophobicContact CD2-CB 3.96Å; Y778-F796 HydrophobicContact CD2-CD1 4.11Å; Y778-F796 HydrophobicContact CD2-CD2 4.1Å; Y778-F796 AromaticContact CD2-CG 3.78Å; Y778-F796 HydrophobicContact CD2-CG 3.78Å; Y778-F796 HydrophobicContact CE2-CB 4.35Å; Y778-F796 HydrophobicContact CG-CD1 4.37Å; Y778-F796 HydrophobicContact CG-CG 4.43Å; E792-F796 WeakPolarHBondContact O-CB 3.4Å; E792-F796 PolarHBondContact O-N 3.44Å; L793-F796 PolarHBondContact O-N 2.99Å; I794-F796 VanDerWaalsContact C-N 3.3Å; I794-F796 PolarHBondContact O-N 2.79Å; F796-V798 VanDerWaalsContact C-N 3.31Å; F796-V798 PolarHBondContact O-N 3.27Å; F796-D799 WeakPolarHBondContact O-CB 3.24Å; F796-D799 PolarHBondContact O-N 2.82Å; F796-D799 VanDerWaalsContact O-N 3.17Å; F796-V800 HydrophobicContact CD1-CG2 4.18Å; F796-V800 HydrophobicContact CE1-CG2 3.79Å; F796-V800 HydrophobicContact CZ-CG2 4.14Å; F796-V800 WeakPolarHBondContact O-CG2 3.35Å; F796-V800 PolarHBondContact O-N 3.32Å; F796-L825 HydrophobicContact CE1-CD1 4.27Å
797	I	97.8	Very high	93	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-37	176.2	-69.1	168.2	0	0	0	110.8	L793 I794 D795 D799 V800 R801 L825 L828 E829 M832	L793-I797 HydrophobicContact CD1-CD1 4.43Å; L793-I797 HydrophobicContact CG-CD1 4.06Å; L793-I797 VanDerWaalsContact O-CG1 3.24Å; L793-I797 WeakPolarHBondContact O-CG1 3.11Å; L793-I797 PolarHBondContact O-N 3.03Å; I794-I797 PolarHBondContact O-N 2.91Å; I794-I797 VanDerWaalsContact O-N 3.12Å; D795-I797 PolarHBondContact O-N 3.2Å; I797-D799 VanDerWaalsContact C-N 3.28Å; I797-D799 PolarHBondContact O-N 3.22Å; I797-V800 PolarHBondContact O-N 2.58Å; I797-R801 HydrophobicContact CG2-CG 4.37Å; I797-R801 VanDerWaalsContact O-CG 3.27Å; I797-R801 WeakPolarHBondContact O-CG 3.31Å; I797-R801 PolarHBondContact O-N 3.27Å; I797-L825 HydrophobicContact CD1-CG 4.33Å; I797-L825 HydrophobicContact CG1-CD1 4.17Å; I797-L825 HydrophobicContact CG1-CG 4.06Å; I797-L828 HydrophobicContact CD1-CB 3.68Å; I797-L828 HydrophobicContact CD1-CD1 3.78Å; I797-L828 HydrophobicContact CD1-CG 4.36Å; I797-E829 HydrophobicContact CG2-CB 4.08Å; I797-M832 HydrophobicContact CB-CE 4.17Å; I797-M832 HydrophobicContact CG2-CE 3.75Å; I797-M832 HydrophobicContact CG2-SD 3.91Å
798	V	96	Very high	93.1	Very high	30 Å²	30	60.1 Å²	60.1	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-40.5	173.5	171.4	0	0	0	0	110.7	I794 D795 F796 R801 R802	I794-V798 WeakPolarHBondContact O-CG2 3.45Å; I794-V798 PolarHBondContact O-N 3.02Å; D795-V798 WeakPolarHBondContact O-CB 3.46Å; D795-V798 PolarHBondContact O-N 3.17Å; D795-V798 VanDerWaalsContact O-N 3.15Å; F796-V798 VanDerWaalsContact C-N 3.31Å; F796-V798 PolarHBondContact O-N 3.27Å; V798-R801 PolarHBondContact O-N 3.26Å; V798-R802 WeakPolarHBondContact O-CG 3.47Å; V798-R802 PolarHBondContact O-N 2.84Å
799	D	95.5	Very high	93.8	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-39.7	174.9	-68.6	-28.9	0	0	0	112.7	M776 D795 F796 I797 R801 R802 S803	M776-D799 HydrophobicContact CE-CB 3.8Å; D795-D799 PolarHBondContact O-N 3Å; F796-D799 WeakPolarHBondContact O-CB 3.24Å; F796-D799 PolarHBondContact O-N 2.82Å; F796-D799 VanDerWaalsContact O-N 3.17Å; I797-D799 VanDerWaalsContact C-N 3.28Å; I797-D799 PolarHBondContact O-N 3.22Å; D799-R801 VanDerWaalsContact C-N 3.32Å; D799-R801 PolarHBondContact O-N 3.12Å; D799-R802 PolarHBondContact O-N 2.81Å; D799-R802 IonicContact OD1-CZ 2.73Å; D799-R802 IonicContact OD1-NH1 2.78Å; D799-R802 PolarHBondContact OD1-NH1 3.07Å; D799-S803 PolarHBondContact O-N 3.39Å
800	V	97	Very high	94.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-44.8	171.8	172.1	0	0	0	0	110.8	V715 M776 F796 I797 R802 S803 R804	V715-V800 HydrophobicContact CG1-CG2 4.36Å; V715-V800 HydrophobicContact CG2-CG1 3.96Å; V715-V800 HydrophobicContact CG2-CG2 3.8Å; M776-V800 HydrophobicContact SD-CG2 3.94Å; F796-V800 HydrophobicContact CD1-CG2 4.18Å; F796-V800 HydrophobicContact CE1-CG2 3.79Å; F796-V800 HydrophobicContact CZ-CG2 4.14Å; F796-V800 WeakPolarHBondContact O-CG2 3.35Å; F796-V800 PolarHBondContact O-N 3.32Å; I797-V800 PolarHBondContact O-N 2.58Å; V800-R802 PolarHBondContact O-N 2.82Å; V800-S803 WeakPolarHBondContact O-CB 3.24Å; V800-S803 PolarHBondContact O-N 3.1Å; V800-R804 WeakPolarHBondContact O-CG 3.19Å; V800-R804 PolarHBondContact O-N 2.97Å; V800-R804 VanDerWaalsContact O-N 3.14Å
801	R	95.5	Very high	94.6	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.177	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-40	178.1	-69.9	179.8	75.5	-159.5	-3.1	112.2	I797 V798 D799 R804 T805 E829 E836	I797-R801 HydrophobicContact CG2-CG 4.37Å; I797-R801 VanDerWaalsContact O-CG 3.27Å; I797-R801 WeakPolarHBondContact O-CG 3.31Å; I797-R801 PolarHBondContact O-N 3.27Å; V798-R801 PolarHBondContact O-N 3.26Å; D799-R801 VanDerWaalsContact C-N 3.32Å; D799-R801 PolarHBondContact O-N 3.12Å; R801-R804 WeakPolarHBondContact O-CG 3.42Å; R801-R804 PolarHBondContact O-N 3.34Å; R801-T805 PolarHBondContact O-N 2.97Å; R801-T805 PolarHBondContact O-OG1 2.84Å; R801-E829 HydrophobicContact CG-CG 3.89Å; R801-E836 IonicContact CZ-OE1 3.87Å; R801-E836 VanDerWaalsContact CZ-OE1 3.27Å; R801-E836 IonicContact CZ-OE2 3.02Å; R801-E836 IonicContact NH1-OE1 3.17Å; R801-E836 PolarHBondContact NH1-OE1 2.71Å; R801-E836 IonicContact NH1-OE2 2.86Å; R801-E836 IonicContact NH2-OE1 3.1Å; R801-E836 PolarHBondContact NH2-OE1 3.21Å; R801-E836 IonicContact NH2-OE2 2.74Å; R801-E836 PolarHBondContact NH2-OE2 2.6Å
802	R	95.2	Very high	94.9	Very high	168 Å²	168	45.5 Å²	45.5	63%	0.634	25%	0.252	S	S	*	.	H	α-helix	trans	-61.4	-45.7	172.9	-70.4	170.8	-173.9	152.5	-1	111.2	V798 D799 V800 R804 T805	V798-R802 WeakPolarHBondContact O-CG 3.47Å; V798-R802 PolarHBondContact O-N 2.84Å; D799-R802 PolarHBondContact O-N 2.81Å; D799-R802 IonicContact OD1-CZ 2.73Å; D799-R802 IonicContact OD1-NH1 2.78Å; D799-R802 PolarHBondContact OD1-NH1 3.07Å; V800-R802 PolarHBondContact O-N 2.82Å; R802-R804 VanDerWaalsContact C-N 3.26Å; R802-R804 PolarHBondContact O-N 2.81Å; R802-T805 PolarHBondContact O-N 2.81Å; R802-T805 PolarHBondContact O-OG1 2.78Å
803	S	92.9	Very high	95.2	Very high	38 Å²	38	41.8 Å²	41.8	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-33.3	-179.9	-170.3	0	0	0	0	113.1	T713 S774 D799 V800	T713-S803 PolarHBondContact OG1-OG 2.86Å; S774-S803 PolarHBondContact OG-OG 3.14Å; D799-S803 PolarHBondContact O-N 3.39Å; V800-S803 WeakPolarHBondContact O-CB 3.24Å; V800-S803 PolarHBondContact O-N 3.1Å
804	R	92.5	Very high	95.3	Very high	21 Å²	21	41.8 Å²	41.8	8%	0.079	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.3	-179.3	72.5	175.8	-61.9	169.4	10.1	114.9	R687 V800 R801 R802 G806 M807 V811 E829	R687-R804 PolarHBondContact O-NH2 3.35Å; R687-R804 VanDerWaalsContact O-NH2 3.17Å; V800-R804 WeakPolarHBondContact O-CG 3.19Å; V800-R804 PolarHBondContact O-N 2.97Å; V800-R804 VanDerWaalsContact O-N 3.14Å; R801-R804 WeakPolarHBondContact O-CG 3.42Å; R801-R804 PolarHBondContact O-N 3.34Å; R802-R804 VanDerWaalsContact C-N 3.26Å; R802-R804 PolarHBondContact O-N 2.81Å; R804-G806 PolarHBondContact O-N 3.29Å; R804-M807 WeakPolarHBondContact O-CB 3.18Å; R804-M807 WeakPolarHBondContact O-CG 3.4Å; R804-M807 PolarHBondContact O-N 3.12Å; R804-M807 VanDerWaalsContact O-N 3.13Å; R804-V811 HydrophobicContact CB-CG2 3.88Å; R804-V811 HydrophobicContact CG-CG2 4.43Å; R804-E829 WeakPolarHBondContact CD-OE1 3.47Å; R804-E829 IonicContact CZ-OE1 2.7Å; R804-E829 IonicContact NE-OE1 3.66Å; R804-E829 IonicContact NH1-OE1 3.88Å; R804-E829 PolarHBondContact NH1-OE1 2.91Å; R804-E829 IonicContact NH1-OE2 2.74Å
805	T	90.2	Very high	95.2	Very high	110 Å²	110	42.1 Å²	42.1	68%	0.675	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	128.5	-174.6	-67	0	0	0	0	110.6	R801 R802 M807	R801-T805 PolarHBondContact O-N 2.97Å; R801-T805 PolarHBondContact O-OG1 2.84Å; R802-T805 PolarHBondContact O-N 2.81Å; R802-T805 PolarHBondContact O-OG1 2.78Å; T805-M807 VanDerWaalsContact C-N 3.28Å; T805-M807 PolarHBondContact O-N 3.28Å
806	G	87.9	Confident	95.1	Very high	85 Å²	85	38.4 Å²	38.4	88%	0.876	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	2	-178.6	0	0	0	0	0	115.1	R804	R804-G806 PolarHBondContact O-N 3.29Å
807	M	90.7	Very high	94.8	Very high	58 Å²	58	38.9 Å²	38.9	29%	0.286	22%	0.223	S	C	.	.			trans	-99	143.3	-178.6	-48	-166.9	74.9	0	0	111.2	H712 R804 T805	H712-M807 HydrophobicContact CB-CE 3.38Å; H712-M807 HydrophobicContact CB-SD 3.96Å; H712-M807 WeakPolarHBondContact CD2-CE 3.34Å; R804-M807 WeakPolarHBondContact O-CB 3.18Å; R804-M807 WeakPolarHBondContact O-CG 3.4Å; R804-M807 PolarHBondContact O-N 3.12Å; R804-M807 VanDerWaalsContact O-N 3.13Å; T805-M807 VanDerWaalsContact C-N 3.28Å; T805-M807 PolarHBondContact O-N 3.28Å
808	V	91.8	Very high	94.8	Very high	94 Å²	94	38.9 Å²	38.9	57%	0.57	22%	0.223	S	C	*	.			trans	-104.8	-17.5	178	-65.1	0	0	0	0	112.6	R687	R687-V808 WeakPolarHBondContact CD-O 3.22Å; R687-V808 PolarHBondContact NH1-O 2.93Å
809	E	96.5	Very high	94.8	Very high	57 Å²	57	37.5 Å²	37.5	27%	0.266	22%	0.215	S	C	.	.	S	Bend	trans	-66	150.9	178.6	-61.9	71.7	-157.1	0	0	111	L710	L710-E809 HydrophobicContact CB-CB 4.48Å; L710-E809 HydrophobicContact CB-CG 3.72Å; L710-E809 WeakPolarHBondContact O-CB 3.28Å; L710-E809 WeakPolarHBondContact O-CG 3.47Å
810	P	98.3	Very high	94.6	Very high	17 Å²	17	35.2 Å²	35.2	11%	0.11	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-70.9	141.3	-178.9	27.5	-32.7	0	0	0	112.5	R687 I689 Q709 C711	R687-P810 HydrophobicContact CB-CB 4.07Å; R687-P810 WeakPolarHBondContact O-CA 3.47Å; I689-P810 HydrophobicContact CD1-CB 4.26Å; I689-P810 HydrophobicContact CD1-CG 3.85Å; I689-P810 HydrophobicContact CG1-CB 3.99Å; I689-P810 HydrophobicContact CG1-CG 4.11Å; Q709-P810 HydrophobicContact CB-CG 4.2Å; Q709-P810 WeakPolarHBondContact O-CD 3.43Å; C711-P810 PolarHBondContact SG-O 2.88Å
811	V	98.7	Very high	94.6	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.6	163.8	179.3	0	0	0	0	108.4	R687 Y688 I689 T713 V715 R804 V813	R687-V811 PolarHBondContact O-N 2.94Å; R687-V811 VanDerWaalsContact O-N 3.17Å; Y688-V811 CarbonylContact C-O 3.51Å; Y688-V811 VanDerWaalsContact CA-O 3.28Å; Y688-V811 WeakPolarHBondContact CA-O 3.33Å; Y688-V811 HydrophobicContact CD1-CB 4.35Å; I689-V811 PolarHBondContact N-O 2.94Å; T713-V811 HydrophobicContact CG2-CG1 4.03Å; V715-V811 HydrophobicContact CG2-CG1 3.7Å; R804-V811 HydrophobicContact CB-CG2 3.88Å; R804-V811 HydrophobicContact CG-CG2 4.43Å; V811-V813 HydrophobicContact CB-CG2 4.48Å; V811-V813 HydrophobicContact CG1-CG2 3.9Å; V811-V813 PolarHBondContact O-N 3.38Å
812	L	98.9	Very high	94.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.2	173.9	-166.7	159.5	0	0	0	108.7	I689 A691 F702 V705 V706 T713 V714 V715 H814	I689-L812 HydrophobicContact CB-CB 4.42Å; I689-L812 HydrophobicContact CB-CG 4.15Å; I689-L812 HydrophobicContact CG2-CD1 4.29Å; I689-L812 HydrophobicContact CG2-CG 4.06Å; I689-L812 CarbonylContact O-C 3.58Å; I689-L812 WeakPolarHBondContact O-CA 3.47Å; A691-L812 HydrophobicContact CB-CD2 4.16Å; F702-L812 HydrophobicContact CD2-CD1 4.4Å; F702-L812 HydrophobicContact CE2-CD1 3.88Å; F702-L812 HydrophobicContact CE2-CD2 3.49Å; F702-L812 VanDerWaalsContact CE2-CD2 3.49Å; F702-L812 HydrophobicContact CE2-CG 4.37Å; F702-L812 HydrophobicContact CZ-CD1 3.95Å; F702-L812 HydrophobicContact CZ-CD2 3.54Å; F702-L812 HydrophobicContact CZ-CG 4.42Å; V705-L812 HydrophobicContact CG1-CD1 4.27Å; V706-L812 HydrophobicContact CG2-CD1 3.71Å; T713-L812 PolarHBondContact O-N 2.99Å; T713-L812 VanDerWaalsContact O-N 3.09Å; V714-L812 CarbonylContact C-O 3.49Å; V714-L812 WeakPolarHBondContact CA-O 3.32Å; V714-L812 HydrophobicContact CG1-CD2 4.24Å; V714-L812 HydrophobicContact CG2-CB 4.37Å; V715-L812 PolarHBondContact N-O 3.41Å; L812-H814 HydrophobicContact CD2-CB 4.32Å
813	V	98.9	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.4	-179.8	-170.2	0	0	0	0	109.3	Y688 I689 A690 A691 V715 L717 V811 T822 L825	Y688-V813 HydrophobicContact CD1-CG2 3.95Å; I689-V813 PolarHBondContact O-N 2.73Å; A690-V813 WeakPolarHBondContact CA-O 3.28Å; A691-V813 PolarHBondContact N-O 3.35Å; V715-V813 HydrophobicContact CB-CB 4.48Å; V715-V813 HydrophobicContact CB-CG1 4.2Å; V715-V813 HydrophobicContact CB-CG2 4.26Å; V715-V813 HydrophobicContact CG1-CG1 4.28Å; V715-V813 WeakPolarHBondContact O-CA 3.19Å; L717-V813 HydrophobicContact CD1-CG1 3.87Å; L717-V813 HydrophobicContact CG-CG1 4.46Å; V811-V813 HydrophobicContact CB-CG2 4.48Å; V811-V813 HydrophobicContact CG1-CG2 3.9Å; V811-V813 PolarHBondContact O-N 3.38Å; V813-T822 HydrophobicContact CB-CG2 4.09Å; V813-T822 HydrophobicContact CG1-CG2 3.87Å; V813-L825 HydrophobicContact CG1-CD1 4.46Å; V813-L825 HydrophobicContact CG1-CD2 4.21Å; V813-L825 HydrophobicContact CG2-CD2 4.14Å
814	H	98.7	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.4	175.9	79.4	89.8	0	0	0	112	A691 F702 V715 M716 L717 C728 Y731 L812	A691-H814 HydrophobicContact CB-CB 4.19Å; A691-H814 VanDerWaalsContact O-CA 3.31Å; A691-H814 WeakPolarHBondContact O-CA 3.48Å; A691-H814 WeakPolarHBondContact O-CB 3.37Å; F702-H814 AromaticContact CZ-CD2 4Å; V715-H814 PolarHBondContact O-N 3.09Å; M716-H814 WeakPolarHBondContact CB-NE2 3.36Å; M716-H814 WeakPolarHBondContact CG-CE1 3.35Å; L717-H814 PolarHBondContact N-O 2.66Å; C728-H814 VanDerWaalsContact SG-CE1 3.59Å; Y731-H814 AromaticContact CE1-CE1 3.65Å; Y731-H814 AromaticContact CE1-NE2 3.36Å; Y731-H814 WeakPolarHBondContact CE1-NE2 3.45Å; Y731-H814 AromaticContact CZ-NE2 3.46Å; Y731-H814 PolarHBondContact OH-NE2 3.06Å; L812-H814 HydrophobicContact CD2-CB 4.32Å
815	C	95.1	Very high	95.4	Very high	7 Å²	7	23.6 Å²	23.6	5%	0.047	15%	0.154	C	C	.	.			trans	-130.5	-130.7	166.4	66.2	0	0	0	0	107.4	G693 L717 G818 R821 T822	G693-C815 VanDerWaalsContact CA-O 3.24Å; G693-C815 WeakPolarHBondContact CA-O 3.44Å; G693-C815 PolarHBondContact N-O 3.42Å; G693-C815 VanDerWaalsContact N-O 3.14Å; L717-C815 HydrophobicContact CB-CB 4Å; C815-G818 PolarHBondContact SG-N 2.77Å; C815-R821 HydrophobicContact CB-CB 4.08Å; C815-T822 PolarHBondContact N-OG1 3.39Å; C815-T822 PolarHBondContact SG-OG1 2.76Å
816	S	92.6	Very high	95.8	Very high	13 Å²	13	18.3 Å²	18.3	9%	0.091	12%	0.122	C	C	.	.	S	Bend	trans	-78.6	-62.3	168.5	-159.7	0	0	0	0	111	R647 Y648 G693 K727	R647-S816 WeakPolarHBondContact CD-O 3.42Å; Y648-S816 PolarHBondContact OH-OG 3.47Å; G693-S816 PolarHBondContact N-O 2.9Å; K727-S816 WeakPolarHBondContact CA-OG 3.49Å; K727-S816 WeakPolarHBondContact CB-OG 3.4Å; K727-S816 WeakPolarHBondContact CD-OG 3.25Å; K727-S816 WeakPolarHBondContact O-CA 3.39Å; K727-S816 PolarHBondContact O-OG 3.07Å; K727-S816 VanDerWaalsContact O-OG 3.05Å
817	A	91.2	Very high	96.3	Very high	14 Å²	14	14.3 Å²	14.3	12%	0.116	8%	0.08	C	C	.	.	S	Bend	trans	-93	-12.2	-179.2	0	0	0	0	0	113.8	Y648 I651 I819 R854	Y648-A817 HydrophobicContact CD2-CB 3.63Å; Y648-A817 HydrophobicContact CE2-CB 3.53Å; I651-A817 HydrophobicContact CG1-CB 4.37Å; A817-I819 HydrophobicContact CB-CD1 4.32Å; A817-I819 HydrophobicContact CB-CG1 3.68Å; A817-R854 PolarHBondContact O-NH2 2.86Å; A817-R854 VanDerWaalsContact O-NH2 3.12Å
818	G	96.4	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	73.6	25.1	-175.7	0	0	0	0	0	114.6	A691 C815 T822 R854	A691-G818 WeakPolarHBondContact O-CA 3.48Å; C815-G818 PolarHBondContact SG-N 2.77Å; G818-T822 WeakPolarHBondContact CA-OG1 3.3Å; G818-R854 PolarHBondContact O-NE 3.34Å
819	I	95.7	Very high	97	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.04	C	C	.	.	S	Bend	trans	-128.7	-54.5	-174.3	54.6	157	0	0	0	114.3	I651 A817 G823 A855 M856 L857 I858 Q859	I651-I819 HydrophobicContact CD1-CD1 3.8Å; I651-I819 HydrophobicContact CG2-CG2 4.22Å; A817-I819 HydrophobicContact CB-CD1 4.32Å; A817-I819 HydrophobicContact CB-CG1 3.68Å; I819-G823 PolarHBondContact O-N 3.28Å; I819-A855 WeakPolarHBondContact CG2-O 3.37Å; I819-M856 HydrophobicContact CB-CB 4.47Å; I819-M856 HydrophobicContact CD1-CB 3.85Å; I819-M856 HydrophobicContact CG2-CB 4.36Å; I819-L857 WeakPolarHBondContact O-CA 3.39Å; I819-L857 WeakPolarHBondContact O-CD2 3.41Å; I819-I858 PolarHBondContact O-N 3.19Å; I819-Q859 HydrophobicContact CD1-CG 4.19Å
820	G	93	Very high	97.1	Very high	5 Å²	5	4.6 Å²	4.6	5%	0.052	3%	0.028	C	C	.	.	H	α-helix	trans	-69.6	-77.9	-173.8	0	0	0	0	0	112.7	T822 G823 V824 Q863	G820-T822 VanDerWaalsContact C-N 3.29Å; G820-T822 PolarHBondContact O-N 2.78Å; G820-G823 PolarHBondContact O-N 2.9Å; G820-V824 PolarHBondContact O-N 3.08Å; G820-V824 VanDerWaalsContact O-N 3.15Å; G820-Q863 VanDerWaalsContact CA-OE1 3.32Å
821	R	95.6	Very high	97.1	Very high	29 Å²	29	3.8 Å²	3.8	11%	0.109	2%	0.023	C	C	.	.	H	α-helix	trans	-60	-39.2	179.6	-55.8	177.5	-173.5	157.7	4.4	112.2	L717 T718 E722 W781 C815 G823 V824 L825	L717-R821 HydrophobicContact CB-CB 3.9Å; L717-R821 VanDerWaalsContact CD1-C 3.5Å; L717-R821 HydrophobicContact CD1-CB 4.07Å; L717-R821 WeakPolarHBondContact CD1-O 3.42Å; L717-R821 WeakPolarHBondContact O-CD 3.29Å; L717-R821 PolarHBondContact O-NH1 2.72Å; T718-R821 PolarHBondContact OG1-NH1 3.48Å; E722-R821 IonicContact OE1-CZ 2.79Å; E722-R821 IonicContact OE1-NH1 3.13Å; E722-R821 PolarHBondContact OE1-NH1 3.18Å; E722-R821 IonicContact OE1-NH2 3.89Å; E722-R821 PolarHBondContact OE1-NH2 3.48Å; E722-R821 IonicContact OE2-CZ 3.05Å; E722-R821 IonicContact OE2-NH1 2.9Å; E722-R821 IonicContact OE2-NH2 2.66Å; E722-R821 PolarHBondContact OE2-NH2 3.34Å; W781-R821 HydrophobicContact CD2-CB 4.37Å; W781-R821 HydrophobicContact CD2-CG 3.63Å; W781-R821 HydrophobicContact CE3-CB 4.05Å; W781-R821 HydrophobicContact CE3-CG 3.82Å; W781-R821 HydrophobicContact CG-CG 4.07Å; W781-R821 VanDerWaalsContact CG-NE 3.34Å; W781-R821 HydrophobicContact CH2-CB 4.4Å; W781-R821 HydrophobicContact CH2-CG 4.28Å; W781-R821 HydrophobicContact CZ2-CG 4.12Å; W781-R821 HydrophobicContact CZ3-CB 4.05Å; W781-R821 HydrophobicContact CZ3-CG 4.14Å; C815-R821 HydrophobicContact CB-CB 4.08Å; R821-G823 PolarHBondContact O-N 3.44Å; R821-V824 PolarHBondContact O-N 2.92Å; R821-L825 PolarHBondContact O-N 2.95Å
822	T	98.2	Very high	97	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-55.7	-48.8	174	-56.5	0	0	0	0	111.8	A690 V813 C815 G818 G820 V824 L825 I826 L857	A690-T822 HydrophobicContact CB-CG2 3.8Å; V813-T822 HydrophobicContact CB-CG2 4.09Å; V813-T822 HydrophobicContact CG1-CG2 3.87Å; C815-T822 PolarHBondContact N-OG1 3.39Å; C815-T822 PolarHBondContact SG-OG1 2.76Å; G818-T822 WeakPolarHBondContact CA-OG1 3.3Å; G820-T822 VanDerWaalsContact C-N 3.29Å; G820-T822 PolarHBondContact O-N 2.78Å; T822-V824 VanDerWaalsContact C-N 3.32Å; T822-V824 PolarHBondContact O-N 2.94Å; T822-L825 PolarHBondContact O-N 3.09Å; T822-I826 HydrophobicContact CG2-CD1 4.03Å; T822-I826 WeakPolarHBondContact O-CG1 3.42Å; T822-I826 PolarHBondContact O-N 3.37Å; T822-I826 VanDerWaalsContact O-N 3.13Å; T822-L857 HydrophobicContact CG2-CD2 4.2Å
823	G	98.4	Very high	96.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.7	-33.3	177.8	0	0	0	0	0	113.3	I819 G820 R821 L827	I819-G823 PolarHBondContact O-N 3.28Å; G820-G823 PolarHBondContact O-N 2.9Å; R821-G823 PolarHBondContact O-N 3.44Å; G823-L827 VanDerWaalsContact O-CB 3.27Å; G823-L827 WeakPolarHBondContact O-CB 3.38Å; G823-L827 PolarHBondContact O-N 2.66Å
824	V	98.5	Very high	96.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66	-45.5	175.3	176.5	0	0	0	0	111.1	W781 L793 G820 R821 T822 I826 L827 L828 I858 Q863 F866 A867	W781-V824 HydrophobicContact CH2-CB 3.79Å; W781-V824 HydrophobicContact CH2-CG1 3.8Å; W781-V824 HydrophobicContact CH2-CG2 3.92Å; W781-V824 HydrophobicContact CZ3-CB 4.38Å; W781-V824 HydrophobicContact CZ3-CG1 4.34Å; L793-V824 HydrophobicContact CD2-CG1 4.15Å; G820-V824 PolarHBondContact O-N 3.08Å; G820-V824 VanDerWaalsContact O-N 3.15Å; R821-V824 PolarHBondContact O-N 2.92Å; T822-V824 VanDerWaalsContact C-N 3.32Å; T822-V824 PolarHBondContact O-N 2.94Å; V824-I826 PolarHBondContact O-N 3.16Å; V824-L827 PolarHBondContact O-N 3.41Å; V824-L828 HydrophobicContact CG1-CD1 3.88Å; V824-L828 HydrophobicContact CG1-CG 4.16Å; V824-L828 WeakPolarHBondContact O-CB 3.31Å; V824-L828 VanDerWaalsContact O-CG 3.29Å; V824-L828 WeakPolarHBondContact O-CG 3.46Å; V824-L828 PolarHBondContact O-N 2.99Å; V824-I858 HydrophobicContact CG2-CD1 4.3Å; V824-I858 HydrophobicContact CG2-CG1 4.27Å; V824-Q863 HydrophobicContact CG2-CB 4.07Å; V824-F866 HydrophobicContact CG1-CD1 4.16Å; V824-F866 HydrophobicContact CG1-CE1 4.11Å; V824-A867 HydrophobicContact CG1-CB 4.11Å
825	L	98.5	Very high	96.6	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-58.4	-50.5	176.8	-178.7	147.5	0	0	0	111.3	V715 L717 F796 I797 V813 R821 T822 L827 L828 E829	V715-L825 HydrophobicContact CG1-CD1 3.76Å; L717-L825 HydrophobicContact CD1-CB 3.85Å; L717-L825 HydrophobicContact CD1-CD1 4.04Å; L717-L825 HydrophobicContact CD2-CD1 3.85Å; L717-L825 HydrophobicContact CG-CD1 4.43Å; F796-L825 HydrophobicContact CE1-CD1 4.27Å; I797-L825 HydrophobicContact CD1-CG 4.33Å; I797-L825 HydrophobicContact CG1-CD1 4.17Å; I797-L825 HydrophobicContact CG1-CG 4.06Å; V813-L825 HydrophobicContact CG1-CD1 4.46Å; V813-L825 HydrophobicContact CG1-CD2 4.21Å; V813-L825 HydrophobicContact CG2-CD2 4.14Å; R821-L825 PolarHBondContact O-N 2.95Å; T822-L825 PolarHBondContact O-N 3.09Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 3.28Å; L825-L828 PolarHBondContact O-N 2.95Å; L825-E829 PolarHBondContact O-N 2.91Å
826	I	98.8	Very high	96.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.4	-43.4	-178.8	-65.4	170.2	0	0	0	110.7	V675 M677 Y688 A690 T822 V824 T830 M850	V675-I826 HydrophobicContact CG1-CD1 4.46Å; V675-I826 HydrophobicContact CG1-CG2 4.41Å; M677-I826 HydrophobicContact CG-CG2 3.88Å; Y688-I826 HydrophobicContact CD1-CG1 4.06Å; Y688-I826 HydrophobicContact CD2-CD1 4.39Å; Y688-I826 HydrophobicContact CD2-CG1 4.17Å; Y688-I826 HydrophobicContact CD2-CG2 3.93Å; Y688-I826 HydrophobicContact CE1-CG1 4.22Å; Y688-I826 HydrophobicContact CE2-CB 4.48Å; Y688-I826 HydrophobicContact CE2-CG1 4.35Å; Y688-I826 HydrophobicContact CE2-CG2 3.69Å; Y688-I826 HydrophobicContact CG-CD1 4.17Å; Y688-I826 HydrophobicContact CG-CG1 4.03Å; A690-I826 HydrophobicContact CB-CD1 4.36Å; T822-I826 HydrophobicContact CG2-CD1 4.03Å; T822-I826 WeakPolarHBondContact O-CG1 3.42Å; T822-I826 PolarHBondContact O-N 3.37Å; T822-I826 VanDerWaalsContact O-N 3.13Å; V824-I826 PolarHBondContact O-N 3.16Å; I826-T830 VanDerWaalsContact O-CB 3.24Å; I826-T830 WeakPolarHBondContact O-CB 3.49Å; I826-T830 PolarHBondContact O-N 2.77Å; I826-T830 PolarHBondContact O-OG1 3.22Å; I826-M850 HydrophobicContact CB-SD 3.84Å; I826-M850 HydrophobicContact CG2-CG 4.15Å; I826-M850 HydrophobicContact CG2-SD 3.5Å; I826-M850 WeakPolarHBondContact CG2-SD 3.46Å
827	L	98.8	Very high	96.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.8	-46.7	176.6	173.1	57.7	0	0	0	111.8	G823 V824 L825 A831 P843 I846 V847 M850 I858 A867 I871	G823-L827 VanDerWaalsContact O-CB 3.27Å; G823-L827 WeakPolarHBondContact O-CB 3.38Å; G823-L827 PolarHBondContact O-N 2.66Å; V824-L827 PolarHBondContact O-N 3.41Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 3.28Å; L827-A831 VanDerWaalsContact O-CB 3.31Å; L827-A831 WeakPolarHBondContact O-CB 3.38Å; L827-A831 PolarHBondContact O-N 2.83Å; L827-P843 HydrophobicContact CD1-CB 4.45Å; L827-I846 HydrophobicContact CD1-CB 3.69Å; L827-I846 HydrophobicContact CD1-CD1 3.93Å; L827-I846 HydrophobicContact CD1-CG1 4.42Å; L827-I846 HydrophobicContact CD1-CG2 3.46Å; L827-I846 VanDerWaalsContact CD1-CG2 3.46Å; L827-V847 HydrophobicContact CD2-CG2 4.03Å; L827-M850 HydrophobicContact CB-CE 3.96Å; L827-M850 HydrophobicContact CB-SD 4.41Å; L827-I858 HydrophobicContact CB-CD1 4.16Å; L827-I858 HydrophobicContact CD2-CD1 3.42Å; L827-I858 VanDerWaalsContact CD2-CD1 3.42Å; L827-I858 HydrophobicContact CG-CD1 4.43Å; L827-A867 HydrophobicContact CD2-CB 3.59Å; L827-A867 HydrophobicContact CG-CB 4.43Å; L827-I871 HydrophobicContact CD1-CD1 4.29Å; L827-I871 HydrophobicContact CG-CD1 4.3Å
828	L	98.7	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-68.9	-42.6	-176.8	-69.1	-176.2	0	0	0	112.3	L793 I797 V824 L825 A831 M832 A867 A870 I871 I874	L793-L828 HydrophobicContact CD2-CD1 3.99Å; I797-L828 HydrophobicContact CD1-CB 3.68Å; I797-L828 HydrophobicContact CD1-CD1 3.78Å; I797-L828 HydrophobicContact CD1-CG 4.36Å; V824-L828 HydrophobicContact CG1-CD1 3.88Å; V824-L828 HydrophobicContact CG1-CG 4.16Å; V824-L828 WeakPolarHBondContact O-CB 3.31Å; V824-L828 VanDerWaalsContact O-CG 3.29Å; V824-L828 WeakPolarHBondContact O-CG 3.46Å; V824-L828 PolarHBondContact O-N 2.99Å; L825-L828 PolarHBondContact O-N 2.95Å; L828-A831 PolarHBondContact O-N 2.86Å; L828-M832 WeakPolarHBondContact O-CG 3.5Å; L828-M832 PolarHBondContact O-N 3.22Å; L828-A867 HydrophobicContact CD2-CB 4.3Å; L828-A867 WeakPolarHBondContact CD2-O 3.33Å; L828-A870 HydrophobicContact CD1-CB 4.07Å; L828-A870 HydrophobicContact CD2-CB 3.72Å; L828-I871 HydrophobicContact CD2-CG1 3.75Å; L828-I874 HydrophobicContact CD2-CD1 4.19Å
829	E	97.8	Very high	96.5	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.009	4%	0.039	C	C	.	.	H	α-helix	trans	-63.3	-45.4	175.6	-175.3	175.9	178	0	0	111.3	Y688 I797 R801 R804 L825 A831 M832 C833	Y688-E829 VanDerWaalsContact CE1-OE2 3.27Å; Y688-E829 WeakPolarHBondContact CE1-OE2 3.49Å; Y688-E829 WeakPolarHBondContact OH-CG 3.4Å; Y688-E829 PolarHBondContact OH-OE2 2.64Å; Y688-E829 VanDerWaalsContact OH-OE2 3.05Å; I797-E829 HydrophobicContact CG2-CB 4.08Å; R801-E829 HydrophobicContact CG-CG 3.89Å; R804-E829 WeakPolarHBondContact CD-OE1 3.47Å; R804-E829 IonicContact CZ-OE1 2.7Å; R804-E829 IonicContact NE-OE1 3.66Å; R804-E829 IonicContact NH1-OE1 3.88Å; R804-E829 PolarHBondContact NH1-OE1 2.91Å; R804-E829 IonicContact NH1-OE2 2.74Å; L825-E829 PolarHBondContact O-N 2.91Å; E829-A831 VanDerWaalsContact C-N 3.29Å; E829-A831 PolarHBondContact O-N 3.35Å; E829-M832 WeakPolarHBondContact O-CB 3.44Å; E829-M832 PolarHBondContact O-N 3.36Å; E829-M832 VanDerWaalsContact O-N 3.11Å; E829-C833 PolarHBondContact O-N 3.23Å; E829-C833 VanDerWaalsContact O-N 3.11Å
830	T	97.8	Very high	96.4	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-57.6	-43.4	174.1	-57.1	0	0	0	0	111.2	M677 I679 I826 M832 C833 L834 I846	M677-T830 HydrophobicContact CB-CG2 4.06Å; M677-T830 HydrophobicContact CE-CG2 4.35Å; I679-T830 HydrophobicContact CD1-CG2 3.79Å; I826-T830 VanDerWaalsContact O-CB 3.24Å; I826-T830 WeakPolarHBondContact O-CB 3.49Å; I826-T830 PolarHBondContact O-N 2.77Å; I826-T830 PolarHBondContact O-OG1 3.22Å; T830-M832 VanDerWaalsContact C-N 3.35Å; T830-M832 PolarHBondContact O-N 3.15Å; T830-C833 PolarHBondContact O-N 2.83Å; T830-L834 HydrophobicContact CG2-CD1 4.22Å; T830-L834 WeakPolarHBondContact O-CG 3.2Å; T830-L834 PolarHBondContact O-N 2.82Å; T830-I846 HydrophobicContact CG2-CG2 4.05Å
831	A	98.1	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.6	-36.3	176.9	0	0	0	0	0	112.7	L827 L828 E829 L834 I835 I841 I871	L827-A831 VanDerWaalsContact O-CB 3.31Å; L827-A831 WeakPolarHBondContact O-CB 3.38Å; L827-A831 PolarHBondContact O-N 2.83Å; L828-A831 PolarHBondContact O-N 2.86Å; E829-A831 VanDerWaalsContact C-N 3.29Å; E829-A831 PolarHBondContact O-N 3.35Å; A831-L834 PolarHBondContact O-N 2.95Å; A831-I835 VanDerWaalsContact O-CG1 3.28Å; A831-I835 WeakPolarHBondContact O-CG1 3.32Å; A831-I835 PolarHBondContact O-N 3.33Å; A831-I841 HydrophobicContact CB-CD1 4.31Å; A831-I841 HydrophobicContact CB-CG2 4.48Å; A831-I841 WeakPolarHBondContact O-CD1 3.32Å; A831-I871 HydrophobicContact CB-CD1 3.83Å; A831-I871 HydrophobicContact CB-CG1 3.66Å; A831-I871 HydrophobicContact CB-CG2 4.37Å
832	M	97.2	Very high	96.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.7	-43.9	174.3	-66.6	178.7	-174.4	0	0	111.7	I794 I797 L828 E829 T830 L834 I835 E836 I874 V879	I794-M832 HydrophobicContact CG2-CE 3.74Å; I797-M832 HydrophobicContact CB-CE 4.17Å; I797-M832 HydrophobicContact CG2-CE 3.75Å; I797-M832 HydrophobicContact CG2-SD 3.91Å; L828-M832 WeakPolarHBondContact O-CG 3.5Å; L828-M832 PolarHBondContact O-N 3.22Å; E829-M832 WeakPolarHBondContact O-CB 3.44Å; E829-M832 PolarHBondContact O-N 3.36Å; E829-M832 VanDerWaalsContact O-N 3.11Å; T830-M832 VanDerWaalsContact C-N 3.35Å; T830-M832 PolarHBondContact O-N 3.15Å; M832-L834 PolarHBondContact O-N 3.49Å; M832-I835 WeakPolarHBondContact O-CB 3.43Å; M832-I835 PolarHBondContact O-N 3.2Å; M832-E836 PolarHBondContact O-N 2.86Å; M832-I874 HydrophobicContact CE-CD1 3.61Å; M832-I874 HydrophobicContact CE-CG1 4.1Å; M832-I874 HydrophobicContact CG-CD1 4.15Å; M832-I874 HydrophobicContact CG-CG2 3.85Å; M832-V879 HydrophobicContact CB-CG2 4.24Å; M832-V879 HydrophobicContact CG-CG2 3.97Å; M832-V879 HydrophobicContact SD-CG2 4.27Å
833	C	95.5	Very high	96.5	Very high	8 Å²	8	8.9 Å²	8.9	5%	0.054	5%	0.047	C	C	.	.	H	α-helix	trans	-63.6	-39.5	175.8	-66	0	0	0	0	112.4	I679 N686 E829 T830 I835 E836 A837	I679-C833 HydrophobicContact CD1-CB 3.63Å; I679-C833 HydrophobicContact CG1-CB 3.7Å; I679-C833 HydrophobicContact CG2-CB 4.21Å; N686-C833 PolarHBondContact ND2-SG 2.91Å; E829-C833 PolarHBondContact O-N 3.23Å; E829-C833 VanDerWaalsContact O-N 3.11Å; T830-C833 PolarHBondContact O-N 2.83Å; C833-I835 VanDerWaalsContact C-N 3.34Å; C833-I835 PolarHBondContact O-N 2.97Å; C833-E836 PolarHBondContact O-N 3.49Å; C833-A837 WeakPolarHBondContact O-CB 3.13Å; C833-A837 PolarHBondContact O-N 2.88Å
834	L	96.2	Very high	96.3	Very high	12 Å²	12	9.1 Å²	9.1	6%	0.063	5%	0.049	C	C	.	.	H	α-helix	trans	-64	-37.2	174.2	-69.6	167.5	0	0	0	112.1	I679 T830 A831 M832 A837 S838 E839 I841 I846	I679-L834 HydrophobicContact CD1-CD2 4.45Å; I679-L834 HydrophobicContact CD1-CG 4.25Å; I679-L834 HydrophobicContact CG2-CD2 4.12Å; T830-L834 HydrophobicContact CG2-CD1 4.22Å; T830-L834 WeakPolarHBondContact O-CG 3.2Å; T830-L834 PolarHBondContact O-N 2.82Å; A831-L834 PolarHBondContact O-N 2.95Å; M832-L834 PolarHBondContact O-N 3.49Å; L834-A837 PolarHBondContact O-N 2.78Å; L834-S838 PolarHBondContact O-N 3.35Å; L834-E839 HydrophobicContact CB-CB 4.34Å; L834-E839 HydrophobicContact CD2-CB 3.71Å; L834-E839 HydrophobicContact CD2-CG 4.31Å; L834-E839 PolarHBondContact O-N 3.13Å; L834-I841 HydrophobicContact CB-CD1 3.9Å; L834-I841 HydrophobicContact CB-CG1 3.74Å; L834-I841 HydrophobicContact CD1-CG1 4.11Å; L834-I846 HydrophobicContact CD1-CD1 3.62Å; L834-I846 HydrophobicContact CD1-CG1 4.44Å
835	I	96.2	Very high	96.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-46.9	174.1	-68.9	165.5	0	0	0	110.4	L602 A831 M832 C833 A837 S838 I841 I874 Y875 V879 P881	L602-I835 HydrophobicContact CD1-CG1 4.38Å; L602-I835 HydrophobicContact CD2-CG2 4.32Å; A831-I835 VanDerWaalsContact O-CG1 3.28Å; A831-I835 WeakPolarHBondContact O-CG1 3.32Å; A831-I835 PolarHBondContact O-N 3.33Å; M832-I835 WeakPolarHBondContact O-CB 3.43Å; M832-I835 PolarHBondContact O-N 3.2Å; C833-I835 VanDerWaalsContact C-N 3.34Å; C833-I835 PolarHBondContact O-N 2.97Å; I835-A837 VanDerWaalsContact C-N 3.34Å; I835-A837 PolarHBondContact O-N 2.86Å; I835-S838 PolarHBondContact O-N 3.05Å; I835-S838 VanDerWaalsContact O-N 3.11Å; I835-I841 HydrophobicContact CD1-CD1 4.26Å; I835-I841 HydrophobicContact CG1-CD1 3.52Å; I835-I874 HydrophobicContact CD1-CB 4.33Å; I835-I874 HydrophobicContact CD1-CG2 3.6Å; I835-Y875 HydrophobicContact CG1-CD2 4.41Å; I835-Y875 HydrophobicContact CG2-CD2 3.96Å; I835-V879 HydrophobicContact CB-CG1 4.07Å; I835-V879 HydrophobicContact CG2-CB 4.22Å; I835-V879 HydrophobicContact CG2-CG1 3.8Å; I835-P881 VanDerWaalsContact O-CA 3.27Å; I835-P881 WeakPolarHBondContact O-CA 3.3Å; I835-P881 WeakPolarHBondContact O-CG 3.4Å
836	E	94.2	Very high	96.1	Very high	39 Å²	39	13 Å²	13	18%	0.182	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-42.5	179.6	-76.1	160.8	-170.1	0	0	111.8	R801 M832 C833 S838 V879 P881 L882 Y885	R801-E836 IonicContact CZ-OE1 3.87Å; R801-E836 VanDerWaalsContact CZ-OE1 3.27Å; R801-E836 IonicContact CZ-OE2 3.02Å; R801-E836 IonicContact NH1-OE1 3.17Å; R801-E836 PolarHBondContact NH1-OE1 2.71Å; R801-E836 IonicContact NH1-OE2 2.86Å; R801-E836 IonicContact NH2-OE1 3.1Å; R801-E836 PolarHBondContact NH2-OE1 3.21Å; R801-E836 IonicContact NH2-OE2 2.74Å; R801-E836 PolarHBondContact NH2-OE2 2.6Å; M832-E836 PolarHBondContact O-N 2.86Å; C833-E836 PolarHBondContact O-N 3.49Å; E836-S838 PolarHBondContact O-N 3.11Å; E836-V879 HydrophobicContact CG-CG1 3.51Å; E836-V879 WeakPolarHBondContact OE1-CG1 3.45Å; E836-P881 WeakPolarHBondContact O-CA 3.24Å; E836-L882 HydrophobicContact CB-CD1 4.11Å; E836-L882 HydrophobicContact CB-CG 4.01Å; E836-L882 HydrophobicContact CG-CG 4.27Å; E836-L882 PolarHBondContact O-N 3.42Å; E836-Y885 WeakPolarHBondContact O-CD2 3.03Å
837	A	93.1	Very high	96	Very high	5 Å²	5	13 Å²	13	4%	0.041	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	0.5	176.1	0	0	0	0	0	114.3	I679 C833 L834 I835 E839 Y885	I679-A837 HydrophobicContact CG2-CB 4.05Å; C833-A837 WeakPolarHBondContact O-CB 3.13Å; C833-A837 PolarHBondContact O-N 2.88Å; L834-A837 PolarHBondContact O-N 2.78Å; I835-A837 VanDerWaalsContact C-N 3.34Å; I835-A837 PolarHBondContact O-N 2.86Å; A837-E839 HydrophobicContact CB-CG 3.92Å; A837-E839 PolarHBondContact O-N 2.85Å; A837-Y885 HydrophobicContact CB-CE1 4.38Å; A837-Y885 HydrophobicContact CB-CE2 4.43Å
838	S	92.9	Very high	95.8	Very high	16 Å²	16	15.4 Å²	15.4	11%	0.112	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	28.1	-174.9	-163.8	0	0	0	0	114.8	L834 I835 E836	L834-S838 PolarHBondContact O-N 3.35Å; I835-S838 PolarHBondContact O-N 3.05Å; I835-S838 VanDerWaalsContact O-N 3.11Å; E836-S838 PolarHBondContact O-N 3.11Å
839	E	93.8	Very high	95.7	Very high	37 Å²	37	17.7 Å²	17.7	17%	0.173	9%	0.094	C	C	.	.			trans	-88.2	151.9	-178.6	-71.2	-64.1	165.1	0	0	112.2	L602 P680 T681 L834 A837	L602-E839 WeakPolarHBondContact CD1-O 3.48Å; P680-E839 HydrophobicContact CB-CG 4.28Å; T681-E839 WeakPolarHBondContact CB-OE1 3.4Å; T681-E839 WeakPolarHBondContact CG2-OE1 3.49Å; T681-E839 PolarHBondContact OG1-OE1 3.18Å; L834-E839 HydrophobicContact CB-CB 4.34Å; L834-E839 HydrophobicContact CD2-CB 3.71Å; L834-E839 HydrophobicContact CD2-CG 4.31Å; L834-E839 PolarHBondContact O-N 3.13Å; A837-E839 HydrophobicContact CB-CG 3.92Å; A837-E839 PolarHBondContact O-N 2.85Å
840	P	93.8	Very high	95.8	Very high	30 Å²	30	17.6 Å²	17.6	20%	0.195	9%	0.093	C	C	.	.			trans	-65	149	173.2	25.9	-28.8	0	0	0	111.9	I601 S605 Y842	I601-P840 HydrophobicContact CG2-CB 3.59Å; I601-P840 HydrophobicContact CG2-CG 3.66Å; S605-P840 WeakPolarHBondContact OG-CA 3.27Å; P840-Y842 HydrophobicContact CB-CE2 3.73Å; P840-Y842 HydrophobicContact CG-CE2 3.96Å
841	I	96.2	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.			trans	-118.3	116.4	-179.1	-59.9	179.3	0	0	0	110.2	L602 S605 L606 A831 L834 I835 P843 I846 I871	L602-I841 HydrophobicContact CD1-CD1 3.9Å; L602-I841 HydrophobicContact CD1-CG1 4.03Å; S605-I841 PolarHBondContact OG-N 2.76Å; L606-I841 HydrophobicContact CD2-CB 4.37Å; L606-I841 HydrophobicContact CD2-CD1 4.41Å; A831-I841 HydrophobicContact CB-CD1 4.31Å; A831-I841 HydrophobicContact CB-CG2 4.48Å; A831-I841 WeakPolarHBondContact O-CD1 3.32Å; L834-I841 HydrophobicContact CB-CD1 3.9Å; L834-I841 HydrophobicContact CB-CG1 3.74Å; L834-I841 HydrophobicContact CD1-CG1 4.11Å; I835-I841 HydrophobicContact CD1-CD1 4.26Å; I835-I841 HydrophobicContact CG1-CD1 3.52Å; I841-P843 HydrophobicContact CG2-CG 4.21Å; I841-I846 HydrophobicContact CG2-CD1 4.08Å; I841-I871 HydrophobicContact CD1-CG2 4.38Å; I841-I871 HydrophobicContact CG2-CD1 4.34Å; I841-I871 HydrophobicContact CG2-CG2 4.12Å
842	Y	95.2	Very high	95.6	Very high	28 Å²	28	19.5 Å²	19.5	11%	0.11	10%	0.103	C	C	.	.			trans	-119.5	89.3	175.3	-54.1	-62.3	0	0	0	109.4	T589 H591 V592 P840 L844 E845 I846	T589-Y842 HydrophobicContact CG2-CD1 4.38Å; H591-Y842 AromaticContact CD2-CE2 3.59Å; H591-Y842 AromaticContact CD2-CZ 3.72Å; V592-Y842 HydrophobicContact CG2-CE1 4.47Å; V592-Y842 WeakPolarHBondContact CG2-OH 3.43Å; V592-Y842 PolarHBondContact N-OH 2.67Å; P840-Y842 HydrophobicContact CB-CE2 3.73Å; P840-Y842 HydrophobicContact CG-CE2 3.96Å; Y842-L844 PolarHBondContact O-N 3.37Å; Y842-L844 VanDerWaalsContact O-N 3.11Å; Y842-E845 PolarHBondContact O-N 2.83Å; Y842-I846 PolarHBondContact O-N 3.46Å
843	P	97.4	Very high	95.7	Very high	5 Å²	5	21 Å²	21	3%	0.032	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-34	-170.7	-28.6	37	0	0	0	114.3	L609 L827 I841 E845 I846 V847 Y864 I871	L609-P843 HydrophobicContact CD1-CG 3.74Å; L609-P843 HydrophobicContact CD2-CG 3.71Å; L609-P843 HydrophobicContact CG-CG 4.34Å; L827-P843 HydrophobicContact CD1-CB 4.45Å; I841-P843 HydrophobicContact CG2-CG 4.21Å; P843-E845 VanDerWaalsContact C-N 3.31Å; P843-E845 PolarHBondContact O-N 2.92Å; P843-I846 PolarHBondContact O-N 3.27Å; P843-V847 VanDerWaalsContact O-CG2 3.26Å; P843-V847 WeakPolarHBondContact O-CG2 3.24Å; P843-V847 PolarHBondContact O-N 3.05Å; P843-Y864 HydrophobicContact CB-CE2 3.98Å; P843-I871 HydrophobicContact CB-CD1 4.3Å; P843-I871 HydrophobicContact CG-CD1 3.83Å
844	L	94.3	Very high	95.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-38.5	178.4	-168	70.7	0	0	0	112.2	P587 F622 L625 Y842 V847 K848 Y864	P587-L844 HydrophobicContact CB-CD2 4.17Å; F622-L844 HydrophobicContact CB-CD1 4.18Å; L625-L844 HydrophobicContact CB-CD1 4.13Å; L625-L844 HydrophobicContact CD2-CD1 3.88Å; L625-L844 HydrophobicContact CD2-CG 4.34Å; Y842-L844 PolarHBondContact O-N 3.37Å; Y842-L844 VanDerWaalsContact O-N 3.11Å; L844-V847 PolarHBondContact O-N 3.35Å; L844-K848 WeakPolarHBondContact O-CB 3.5Å; L844-K848 PolarHBondContact O-N 3.29Å; L844-Y864 WeakPolarHBondContact CA-OH 3.36Å; L844-Y864 WeakPolarHBondContact CB-OH 3.32Å; L844-Y864 PolarHBondContact N-OH 2.79Å; L844-Y864 VanDerWaalsContact N-OH 3.17Å
845	E	94.4	Very high	95.7	Very high	65 Å²	65	20.3 Å²	20.3	30%	0.304	11%	0.106	S	C	.	.	H	α-helix	trans	-74.4	-37	179	-71.1	168.4	-153.7	0	0	111.8	T589 H591 Y842 P843 V847 K848 S849	T589-E845 WeakPolarHBondContact CB-OE1 3.3Å; T589-E845 PolarHBondContact OG1-OE1 2.72Å; H591-E845 IonicContact CE1-OE1 3.34Å; H591-E845 PolarHBondContact CE1-OE1 3.28Å; H591-E845 IonicContact ND1-OE1 3.69Å; H591-E845 IonicContact NE2-OE1 3.89Å; H591-E845 PolarHBondContact NE2-OE1 3.23Å; H591-E845 IonicContact NE2-OE2 3.55Å; Y842-E845 PolarHBondContact O-N 2.83Å; P843-E845 VanDerWaalsContact C-N 3.31Å; P843-E845 PolarHBondContact O-N 2.92Å; E845-V847 VanDerWaalsContact C-N 3.31Å; E845-K848 WeakPolarHBondContact O-CB 3.44Å; E845-K848 PolarHBondContact O-N 2.91Å; E845-S849 WeakPolarHBondContact O-CB 3.35Å; E845-S849 PolarHBondContact O-N 3.47Å
846	I	97.5	Very high	95.6	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.082	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-44.8	171.7	-56.8	171.3	0	0	0	109.2	M677 L827 T830 L834 I841 Y842 P843 K848 S849 M850	M677-I846 HydrophobicContact CE-CG2 3.69Å; L827-I846 HydrophobicContact CD1-CB 3.69Å; L827-I846 HydrophobicContact CD1-CD1 3.93Å; L827-I846 HydrophobicContact CD1-CG1 4.42Å; L827-I846 HydrophobicContact CD1-CG2 3.46Å; L827-I846 VanDerWaalsContact CD1-CG2 3.46Å; T830-I846 HydrophobicContact CG2-CG2 4.05Å; L834-I846 HydrophobicContact CD1-CD1 3.62Å; L834-I846 HydrophobicContact CD1-CG1 4.44Å; I841-I846 HydrophobicContact CG2-CD1 4.08Å; Y842-I846 PolarHBondContact O-N 3.46Å; P843-I846 PolarHBondContact O-N 3.27Å; I846-K848 PolarHBondContact O-N 3.04Å; I846-S849 PolarHBondContact O-N 3.42Å; I846-M850 WeakPolarHBondContact O-CB 3.44Å; I846-M850 VanDerWaalsContact O-CG 3.32Å; I846-M850 WeakPolarHBondContact O-CG 3.21Å; I846-M850 PolarHBondContact O-N 3.45Å
847	V	97.4	Very high	95.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-41.4	174.6	174.4	0	0	0	0	112.2	F622 L625 L827 P843 L844 E845 M850 R851 I858 Y864	F622-V847 HydrophobicContact CE2-CG1 4.26Å; L625-V847 HydrophobicContact CD2-CB 4.27Å; L625-V847 HydrophobicContact CD2-CG1 3.8Å; L827-V847 HydrophobicContact CD2-CG2 4.03Å; P843-V847 VanDerWaalsContact O-CG2 3.26Å; P843-V847 WeakPolarHBondContact O-CG2 3.24Å; P843-V847 PolarHBondContact O-N 3.05Å; L844-V847 PolarHBondContact O-N 3.35Å; E845-V847 VanDerWaalsContact C-N 3.31Å; V847-M850 HydrophobicContact CB-CE 4.16Å; V847-M850 HydrophobicContact CG2-CE 3.72Å; V847-M850 WeakPolarHBondContact O-CB 3.35Å; V847-M850 PolarHBondContact O-N 3Å; V847-R851 HydrophobicContact CG1-CG 4.28Å; V847-R851 WeakPolarHBondContact O-CB 3.37Å; V847-R851 WeakPolarHBondContact O-CG 3.41Å; V847-R851 PolarHBondContact O-N 3.03Å; V847-I858 HydrophobicContact CG2-CD1 3.66Å; V847-I858 HydrophobicContact CG2-CG1 4.39Å; V847-Y864 HydrophobicContact CG2-CD2 4.05Å; V847-Y864 HydrophobicContact CG2-CE2 3.97Å
848	K	95	Very high	95.8	Very high	51 Å²	51	18.5 Å²	18.5	22%	0.222	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-50.1	174.5	-176.9	-171	174.7	-59.5	0	111.1	I586 L625 Y626 L844 E845 I846 M850 R851 D852	I586-K848 HydrophobicContact CG2-CD 4.1Å; L625-K848 HydrophobicContact CD1-CB 3.97Å; L625-K848 HydrophobicContact CD1-CD 4.44Å; L625-K848 HydrophobicContact CD1-CG 4.01Å; L625-K848 HydrophobicContact CD2-CB 4.2Å; Y626-K848 HydrophobicContact CE1-CG 4.46Å; Y626-K848 WeakPolarHBondContact OH-CE 3.45Å; Y626-K848 WeakPolarHBondContact OH-CG 3.46Å; Y626-K848 PolarHBondContact OH-NZ 3.17Å; L844-K848 WeakPolarHBondContact O-CB 3.5Å; L844-K848 PolarHBondContact O-N 3.29Å; E845-K848 WeakPolarHBondContact O-CB 3.44Å; E845-K848 PolarHBondContact O-N 2.91Å; I846-K848 PolarHBondContact O-N 3.04Å; K848-M850 VanDerWaalsContact C-N 3.28Å; K848-M850 PolarHBondContact O-N 3.37Å; K848-R851 CarbonylContact O-C 3.59Å; K848-R851 PolarHBondContact O-N 3.46Å; K848-D852 IonicContact NZ-OD2 2.72Å; K848-D852 PolarHBondContact NZ-OD2 2.9Å; K848-D852 PolarHBondContact O-N 3.26Å
849	S	96.2	Very high	95.4	Very high	49 Å²	49	20 Å²	20	34%	0.343	10%	0.102	S	C	.	.	H	α-helix	trans	-59.2	-39.1	178.6	178.6	0	0	0	0	112.2	E845 I846 Q853	E845-S849 WeakPolarHBondContact O-CB 3.35Å; E845-S849 PolarHBondContact O-N 3.47Å; I846-S849 PolarHBondContact O-N 3.42Å; S849-Q853 PolarHBondContact O-NE2 3.08Å
850	M	98.4	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-47.9	170.4	-75.6	-168.3	-53.1	0	0	112.1	V675 M677 I826 L827 I846 V847 K848 D852 Q853 R854 L857 I858	V675-M850 HydrophobicContact CG1-CG 4.35Å; M677-M850 HydrophobicContact CE-CG 3.91Å; M677-M850 HydrophobicContact SD-CG 3.74Å; I826-M850 HydrophobicContact CB-SD 3.84Å; I826-M850 HydrophobicContact CG2-CG 4.15Å; I826-M850 HydrophobicContact CG2-SD 3.5Å; I826-M850 WeakPolarHBondContact CG2-SD 3.46Å; L827-M850 HydrophobicContact CB-CE 3.96Å; L827-M850 HydrophobicContact CB-SD 4.41Å; I846-M850 WeakPolarHBondContact O-CB 3.44Å; I846-M850 VanDerWaalsContact O-CG 3.32Å; I846-M850 WeakPolarHBondContact O-CG 3.21Å; I846-M850 PolarHBondContact O-N 3.45Å; V847-M850 HydrophobicContact CB-CE 4.16Å; V847-M850 HydrophobicContact CG2-CE 3.72Å; V847-M850 WeakPolarHBondContact O-CB 3.35Å; V847-M850 PolarHBondContact O-N 3Å; K848-M850 VanDerWaalsContact C-N 3.28Å; K848-M850 PolarHBondContact O-N 3.37Å; M850-D852 VanDerWaalsContact C-N 3.26Å; M850-D852 PolarHBondContact O-N 2.99Å; M850-Q853 PolarHBondContact O-N 2.85Å; M850-R854 PolarHBondContact O-N 3.23Å; M850-L857 HydrophobicContact CB-CB 4.2Å; M850-L857 HydrophobicContact CB-CD1 3.69Å; M850-L857 HydrophobicContact CG-CD1 4.33Å; M850-L857 HydrophobicContact SD-CD1 4.48Å; M850-I858 HydrophobicContact CE-CD1 4.12Å; M850-I858 HydrophobicContact CE-CG1 4.22Å
851	R	96.6	Very high	94.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-68	-23.1	-179.3	-75.7	-175.3	-179.6	176.9	2.9	113.9	L625 Y626 Y654 V847 K848 Q853 R854 L857 I858	L625-R851 PolarHBondContact O-NH1 3.39Å; L625-R851 VanDerWaalsContact O-NH1 3.08Å; Y626-R851 VanDerWaalsContact O-CD 3.26Å; Y626-R851 WeakPolarHBondContact O-CD 3.28Å; Y626-R851 PolarHBondContact O-NH1 3.2Å; Y654-R851 WeakPolarHBondContact CE2-O 3.41Å; Y654-R851 PolarHBondContact OH-O 3.34Å; V847-R851 HydrophobicContact CG1-CG 4.28Å; V847-R851 WeakPolarHBondContact O-CB 3.37Å; V847-R851 WeakPolarHBondContact O-CG 3.41Å; V847-R851 PolarHBondContact O-N 3.03Å; K848-R851 CarbonylContact O-C 3.59Å; K848-R851 PolarHBondContact O-N 3.46Å; R851-Q853 PolarHBondContact O-N 2.91Å; R851-R854 WeakPolarHBondContact CA-O 3.5Å; R851-L857 HydrophobicContact CG-CB 4.42Å; R851-L857 PolarHBondContact NE-O 2.97Å; R851-I858 PolarHBondContact NH2-O 3.24Å
852	D	96.1	Very high	94.3	Very high	40 Å²	40	23.4 Å²	23.4	21%	0.214	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.2	169.5	-73	-28.8	0	0	0	113.1	Y626 S629 M632 K848 M850	Y626-D852 WeakPolarHBondContact CE2-OD1 3.36Å; Y626-D852 PolarHBondContact OH-OD1 3.17Å; Y626-D852 PolarHBondContact OH-OD2 3Å; Y626-D852 VanDerWaalsContact OH-OD2 3.11Å; S629-D852 WeakPolarHBondContact CB-OD1 3.32Å; S629-D852 PolarHBondContact OG-OD1 2.8Å; S629-D852 VanDerWaalsContact OG-OD1 3.12Å; M632-D852 WeakPolarHBondContact CE-O 3.33Å; K848-D852 IonicContact NZ-OD2 2.72Å; K848-D852 PolarHBondContact NZ-OD2 2.9Å; K848-D852 PolarHBondContact O-N 3.26Å; M850-D852 VanDerWaalsContact C-N 3.26Å; M850-D852 PolarHBondContact O-N 2.99Å
853	Q	98.4	Very high	94.2	Very high	33 Å²	33	22.7 Å²	22.7	15%	0.154	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-34.3	178.1	-63.6	179.8	76.8	0	0	112	T657 V675 N676 S849 M850 R851	T657-Q853 WeakPolarHBondContact CB-O 3.41Å; T657-Q853 PolarHBondContact OG1-O 3.44Å; V675-Q853 HydrophobicContact CG2-CB 4.31Å; N676-Q853 PolarHBondContact O-NE2 3.29Å; N676-Q853 PolarHBondContact O-OE1 3.46Å; S849-Q853 PolarHBondContact O-NE2 3.08Å; M850-Q853 PolarHBondContact O-N 2.85Å; R851-Q853 PolarHBondContact O-N 2.91Å
854	R	98.1	Very high	94.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-143.5	119.4	170.2	-178.3	174.6	178.8	77	0.3	110.3	N671 S673 V675 A690 A817 G818 M850 R851 L857	N671-R854 PolarHBondContact OD1-NH2 3.15Å; S673-R854 PolarHBondContact OG-NH1 3.01Å; V675-R854 HydrophobicContact CG2-CB 4.01Å; A690-R854 PolarHBondContact O-NE 2.86Å; A690-R854 PolarHBondContact O-NH1 2.82Å; A817-R854 PolarHBondContact O-NH2 2.86Å; A817-R854 VanDerWaalsContact O-NH2 3.12Å; G818-R854 PolarHBondContact O-NE 3.34Å; M850-R854 PolarHBondContact O-N 3.23Å; R851-R854 WeakPolarHBondContact CA-O 3.5Å; R854-L857 HydrophobicContact CB-CD1 3.79Å; R854-L857 HydrophobicContact CB-CG 4.14Å; R854-L857 HydrophobicContact CG-CD1 4.46Å; R854-L857 HydrophobicContact CG-CG 4.33Å
855	A	94.8	Very high	94.1	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	143.7	178.2	0	0	0	0	0	112.5	K628 M634 Y654 I819 L857	K628-A855 HydrophobicContact CG-CB 3.86Å; M634-A855 HydrophobicContact SD-CB 4.41Å; Y654-A855 HydrophobicContact CE1-CB 4.25Å; Y654-A855 HydrophobicContact CE2-CB 4.1Å; Y654-A855 VanDerWaalsContact CE2-N 3.3Å; Y654-A855 WeakPolarHBondContact OH-CB 3.48Å; I819-A855 WeakPolarHBondContact CG2-O 3.37Å; A855-L857 PolarHBondContact O-N 2.91Å; A855-L857 VanDerWaalsContact O-N 3.12Å
856	M	93.2	Very high	94.2	Very high	7 Å²	7	24 Å²	24	3%	0.034	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	12.8	167.8	-59.2	177.2	-76.8	0	0	116.5	R627 I651 I819 I858	R627-M856 HydrophobicContact CB-CG 4.05Å; R627-M856 PolarHBondContact O-N 2.94Å; I651-M856 HydrophobicContact CB-CE 4.48Å; I651-M856 HydrophobicContact CD1-CE 3.36Å; I651-M856 HydrophobicContact CD1-SD 3.9Å; I651-M856 HydrophobicContact CG1-CE 4.47Å; I651-M856 HydrophobicContact CG2-CE 4.35Å; I819-M856 HydrophobicContact CB-CB 4.47Å; I819-M856 HydrophobicContact CD1-CB 3.85Å; I819-M856 HydrophobicContact CG2-CB 4.36Å; M856-I858 CarbonylContact O-C 3.45Å; M856-I858 PolarHBondContact O-N 3.12Å
857	L	97.1	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-53.7	130.8	170.3	-78.5	170.6	0	0	0	110.1	V675 I819 T822 M850 R851 R854 A855	V675-L857 HydrophobicContact CG1-CD1 4.44Å; V675-L857 HydrophobicContact CG2-CD1 4.06Å; I819-L857 WeakPolarHBondContact O-CA 3.39Å; I819-L857 WeakPolarHBondContact O-CD2 3.41Å; T822-L857 HydrophobicContact CG2-CD2 4.2Å; M850-L857 HydrophobicContact CB-CB 4.2Å; M850-L857 HydrophobicContact CB-CD1 3.69Å; M850-L857 HydrophobicContact CG-CD1 4.33Å; M850-L857 HydrophobicContact SD-CD1 4.48Å; R851-L857 HydrophobicContact CG-CB 4.42Å; R851-L857 PolarHBondContact NE-O 2.97Å; R854-L857 HydrophobicContact CB-CD1 3.79Å; R854-L857 HydrophobicContact CB-CG 4.14Å; R854-L857 HydrophobicContact CG-CD1 4.46Å; R854-L857 HydrophobicContact CG-CG 4.33Å; A855-L857 PolarHBondContact O-N 2.91Å; A855-L857 VanDerWaalsContact O-N 3.12Å
858	I	94.8	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	58.6	106.4	-162.3	-52.5	-167.3	0	0	0	111.3	F622 I819 V824 L827 V847 M850 R851 M856 Q863	F622-I858 HydrophobicContact CE2-CB 4.28Å; F622-I858 HydrophobicContact CE2-CG2 3.88Å; F622-I858 HydrophobicContact CZ-CG2 3.92Å; I819-I858 PolarHBondContact O-N 3.19Å; V824-I858 HydrophobicContact CG2-CD1 4.3Å; V824-I858 HydrophobicContact CG2-CG1 4.27Å; L827-I858 HydrophobicContact CB-CD1 4.16Å; L827-I858 HydrophobicContact CD2-CD1 3.42Å; L827-I858 VanDerWaalsContact CD2-CD1 3.42Å; L827-I858 HydrophobicContact CG-CD1 4.43Å; V847-I858 HydrophobicContact CG2-CD1 3.66Å; V847-I858 HydrophobicContact CG2-CG1 4.39Å; M850-I858 HydrophobicContact CE-CD1 4.12Å; M850-I858 HydrophobicContact CE-CG1 4.22Å; R851-I858 PolarHBondContact NH2-O 3.24Å; M856-I858 CarbonylContact O-C 3.45Å; M856-I858 PolarHBondContact O-N 3.12Å; I858-Q863 HydrophobicContact CG2-CB 3.84Å
859	Q	84.4	Confident	94.3	Very high	47 Å²	47	25.2 Å²	25.2	22%	0.22	14%	0.138	C	C	.	.			trans	-82.2	-35.7	-162.6	-167.4	178.2	27.1	0	0	113.5	R627 I819	R627-Q859 PolarHBondContact NH1-O 3.27Å; I819-Q859 HydrophobicContact CD1-CG 4.19Å
860	N	85.7	Confident	94.4	Very high	64 Å²	64	22.9 Å²	22.9	34%	0.342	12%	0.122	S	C	.	.	S	Bend	trans	-144.2	165.5	-173.2	63.5	45.2	0	0	0	113.1	A862 Q863 Y864	N860-A862 VanDerWaalsContact C-N 3.25Å; N860-A862 PolarHBondContact O-N 2.92Å; N860-A862 WeakPolarHBondContact OD1-CB 3.22Å; N860-A862 PolarHBondContact OD1-N 3.45Å; N860-Q863 PolarHBondContact O-N 2.94Å; N860-Q863 WeakPolarHBondContact OD1-CG 3.37Å; N860-Q863 PolarHBondContact OD1-N 2.97Å; N860-Y864 PolarHBondContact O-N 2.67Å; N860-Y864 VanDerWaalsContact O-N 3.14Å
861	A	86.6	Confident	94.4	Very high	26 Å²	26	22.9 Å²	22.9	22%	0.215	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-31.1	-176.6	0	0	0	0	0	113.2	L619 F622 Y864 K865	L619-A861 HydrophobicContact CD2-CB 3.95Å; L619-A861 WeakPolarHBondContact CD2-O 3.41Å; F622-A861 HydrophobicContact CD1-CB 4.18Å; F622-A861 HydrophobicContact CE1-CB 4.4Å; A861-Y864 PolarHBondContact O-N 3.02Å; A861-K865 WeakPolarHBondContact O-CB 3.39Å; A861-K865 PolarHBondContact O-N 3.16Å
862	A	88.3	Confident	94.4	Very high	48 Å²	48	23.9 Å²	23.9	40%	0.397	13%	0.127	S	C	.	.	H	α-helix	trans	-65	-45.3	177.1	0	0	0	0	0	111.6	V786 N860 K865 F866	V786-A862 HydrophobicContact CG1-CB 4.45Å; N860-A862 VanDerWaalsContact C-N 3.25Å; N860-A862 PolarHBondContact O-N 2.92Å; N860-A862 WeakPolarHBondContact OD1-CB 3.22Å; N860-A862 PolarHBondContact OD1-N 3.45Å; A862-K865 PolarHBondContact O-N 3.23Å; A862-F866 VanDerWaalsContact O-CB 3.31Å; A862-F866 WeakPolarHBondContact O-CB 3.14Å; A862-F866 PolarHBondContact O-N 3.35Å
863	Q	92.7	Very high	94.4	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-41.7	174.3	-70.4	170.2	-0.1	0	0	111.9	V786 G820 V824 I858 N860 F866 A867	V786-Q863 HydrophobicContact CG1-CB 4.41Å; V786-Q863 HydrophobicContact CG1-CG 3.94Å; G820-Q863 VanDerWaalsContact CA-OE1 3.32Å; V824-Q863 HydrophobicContact CG2-CB 4.07Å; I858-Q863 HydrophobicContact CG2-CB 3.84Å; N860-Q863 PolarHBondContact O-N 2.94Å; N860-Q863 WeakPolarHBondContact OD1-CG 3.37Å; N860-Q863 PolarHBondContact OD1-N 2.97Å; Q863-F866 PolarHBondContact O-N 2.82Å; Q863-A867 WeakPolarHBondContact O-CB 3.38Å; Q863-A867 PolarHBondContact O-N 3.35Å
864	Y	95.7	Very high	94.3	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-45.6	177.7	-179.5	-108.5	0	0	0	112.5	A618 L619 F622 P843 L844 V847 N860 A861 F866 A867 C868	A618-Y864 HydrophobicContact CB-CE1 4.31Å; A618-Y864 WeakPolarHBondContact O-CE1 3.46Å; L619-Y864 HydrophobicContact CD2-CD1 4.2Å; F622-Y864 HydrophobicContact CB-CD1 3.52Å; F622-Y864 HydrophobicContact CB-CE1 3.72Å; F622-Y864 HydrophobicContact CB-CG 4Å; F622-Y864 HydrophobicContact CD1-CG 4.41Å; F622-Y864 AromaticContact CD2-CD1 3.83Å; F622-Y864 HydrophobicContact CD2-CD1 3.83Å; F622-Y864 AromaticContact CD2-CD2 3.48Å; F622-Y864 HydrophobicContact CD2-CD2 3.48Å; F622-Y864 VanDerWaalsContact CD2-CD2 3.48Å; F622-Y864 HydrophobicContact CD2-CE1 4.36Å; F622-Y864 HydrophobicContact CD2-CE2 4.05Å; F622-Y864 AromaticContact CD2-CG 3.34Å; F622-Y864 HydrophobicContact CD2-CG 3.34Å; F622-Y864 AromaticContact CE2-CD2 3.92Å; F622-Y864 HydrophobicContact CE2-CD2 3.92Å; F622-Y864 AromaticContact CE2-CG 3.87Å; F622-Y864 HydrophobicContact CE2-CG 3.87Å; F622-Y864 AromaticContact CG-CD1 3.7Å; F622-Y864 HydrophobicContact CG-CD1 3.7Å; F622-Y864 HydrophobicContact CG-CD2 4.22Å; F622-Y864 HydrophobicContact CG-CE1 4.29Å; F622-Y864 AromaticContact CG-CG 3.64Å; F622-Y864 HydrophobicContact CG-CG 3.64Å; P843-Y864 HydrophobicContact CB-CE2 3.98Å; L844-Y864 WeakPolarHBondContact CA-OH 3.36Å; L844-Y864 WeakPolarHBondContact CB-OH 3.32Å; L844-Y864 PolarHBondContact N-OH 2.79Å; L844-Y864 VanDerWaalsContact N-OH 3.17Å; V847-Y864 HydrophobicContact CG2-CD2 4.05Å; V847-Y864 HydrophobicContact CG2-CE2 3.97Å; N860-Y864 PolarHBondContact O-N 2.67Å; N860-Y864 VanDerWaalsContact O-N 3.14Å; A861-Y864 PolarHBondContact O-N 3.02Å; Y864-F866 PolarHBondContact O-N 2.95Å; Y864-A867 PolarHBondContact O-N 3.04Å; Y864-C868 PolarHBondContact O-N 3.2Å; Y864-C868 PolarHBondContact O-SG 2.86Å
865	K	95	Very high	94.1	Very high	90 Å²	90	25.8 Å²	25.8	39%	0.391	13%	0.132	S	C	.	.	H	α-helix	trans	-58.1	-48.9	174.7	-176.5	-177	170.7	-171.8	0	111.1	L613 L619 A861 A862 A867 C868 E869	L613-K865 HydrophobicContact CD2-CG 4.18Å; L619-K865 HydrophobicContact CD1-CD 4.49Å; L619-K865 HydrophobicContact CD2-CB 3.79Å; A861-K865 WeakPolarHBondContact O-CB 3.39Å; A861-K865 PolarHBondContact O-N 3.16Å; A862-K865 PolarHBondContact O-N 3.23Å; K865-A867 VanDerWaalsContact C-N 3.33Å; K865-A867 PolarHBondContact O-N 3.45Å; K865-C868 WeakPolarHBondContact O-CB 3.49Å; K865-C868 PolarHBondContact O-N 3.36Å; K865-E869 WeakPolarHBondContact CE-OE1 3.48Å; K865-E869 HydrophobicContact CG-CG 4.48Å; K865-E869 IonicContact NZ-OE1 3.86Å; K865-E869 WeakPolarHBondContact O-CG 3.35Å; K865-E869 PolarHBondContact O-N 2.84Å
866	F	96.8	Very high	93.8	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-46.1	177.9	170.1	-99.7	0	0	0	111.9	W781 V786 P787 P790 L793 V824 A862 Q863 Y864 C868 E869 A870	W781-F866 HydrophobicContact CH2-CD1 4.35Å; W781-F866 HydrophobicContact CH2-CE1 4.01Å; W781-F866 HydrophobicContact CZ2-CE1 4.44Å; V786-F866 HydrophobicContact CB-CB 3.84Å; V786-F866 HydrophobicContact CB-CD1 4.33Å; V786-F866 HydrophobicContact CB-CD2 3.9Å; V786-F866 HydrophobicContact CB-CG 3.76Å; V786-F866 HydrophobicContact CG1-CB 3.8Å; V786-F866 HydrophobicContact CG1-CD1 4.44Å; V786-F866 HydrophobicContact CG1-CG 4.09Å; V786-F866 HydrophobicContact CG2-CB 3.88Å; V786-F866 HydrophobicContact CG2-CD2 4.03Å; V786-F866 HydrophobicContact CG2-CG 4.13Å; P787-F866 HydrophobicContact CB-CE2 3.89Å; P787-F866 HydrophobicContact CB-CZ 3.99Å; P787-F866 HydrophobicContact CG-CE2 4.13Å; P787-F866 HydrophobicContact CG-CZ 3.79Å; P787-F866 WeakPolarHBondContact O-CD2 3.44Å; P787-F866 WeakPolarHBondContact O-CE2 3.15Å; P790-F866 HydrophobicContact CB-CE2 3.66Å; P790-F866 HydrophobicContact CB-CZ 3.63Å; P790-F866 HydrophobicContact CG-CE2 4.41Å; L793-F866 HydrophobicContact CD2-CE1 3.59Å; L793-F866 HydrophobicContact CD2-CZ 3.93Å; V824-F866 HydrophobicContact CG1-CD1 4.16Å; V824-F866 HydrophobicContact CG1-CE1 4.11Å; A862-F866 VanDerWaalsContact O-CB 3.31Å; A862-F866 WeakPolarHBondContact O-CB 3.14Å; A862-F866 PolarHBondContact O-N 3.35Å; Q863-F866 PolarHBondContact O-N 2.82Å; Y864-F866 PolarHBondContact O-N 2.95Å; F866-C868 PolarHBondContact O-N 3.06Å; F866-E869 PolarHBondContact O-N 3.48Å; F866-A870 WeakPolarHBondContact O-CB 3.38Å; F866-A870 PolarHBondContact O-N 3.42Å
867	A	98.3	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-43.7	177.2	0	0	0	0	0	111.8	V824 L827 L828 Q863 Y864 K865 E869 A870 I871	V824-A867 HydrophobicContact CG1-CB 4.11Å; L827-A867 HydrophobicContact CD2-CB 3.59Å; L827-A867 HydrophobicContact CG-CB 4.43Å; L828-A867 HydrophobicContact CD2-CB 4.3Å; L828-A867 WeakPolarHBondContact CD2-O 3.33Å; Q863-A867 WeakPolarHBondContact O-CB 3.38Å; Q863-A867 PolarHBondContact O-N 3.35Å; Y864-A867 PolarHBondContact O-N 3.04Å; K865-A867 VanDerWaalsContact C-N 3.33Å; K865-A867 PolarHBondContact O-N 3.45Å; A867-E869 PolarHBondContact O-N 3.48Å; A867-A870 PolarHBondContact O-N 2.95Å; A867-I871 VanDerWaalsContact O-CG1 3.3Å; A867-I871 WeakPolarHBondContact O-CG1 3.44Å; A867-I871 PolarHBondContact O-N 3.39Å
868	C	97.8	Very high	92.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-43.2	175.2	-68.7	0	0	0	0	112.7	L609 L613 Y864 K865 F866 I871 L872	L609-C868 HydrophobicContact CD1-CB 3.98Å; L613-C868 HydrophobicContact CD1-CB 3.65Å; L613-C868 HydrophobicContact CD2-CB 3.75Å; L613-C868 HydrophobicContact CG-CB 4.09Å; Y864-C868 PolarHBondContact O-N 3.2Å; Y864-C868 PolarHBondContact O-SG 2.86Å; K865-C868 WeakPolarHBondContact O-CB 3.49Å; K865-C868 PolarHBondContact O-N 3.36Å; F866-C868 PolarHBondContact O-N 3.06Å; C868-I871 PolarHBondContact O-N 3.5Å; C868-L872 PolarHBondContact O-N 3.14Å
869	E	96	Very high	92.7	Very high	92 Å²	92	38 Å²	38	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-37.9	176.9	-72.1	176.2	158.9	0	0	111.8	L613 K865 F866 A867 L872 K873	L613-E869 HydrophobicContact CD1-CG 4.09Å; K865-E869 WeakPolarHBondContact CE-OE1 3.48Å; K865-E869 HydrophobicContact CG-CG 4.48Å; K865-E869 IonicContact NZ-OE1 3.86Å; K865-E869 WeakPolarHBondContact O-CG 3.35Å; K865-E869 PolarHBondContact O-N 2.84Å; F866-E869 PolarHBondContact O-N 3.48Å; A867-E869 PolarHBondContact O-N 3.48Å; E869-L872 PolarHBondContact O-N 2.82Å; E869-K873 PolarHBondContact O-N 3.18Å; E869-K873 VanDerWaalsContact O-N 3.09Å
870	A	98.1	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-42	174.5	0	0	0	0	0	112.2	P790 I794 L828 F866 A867 L872 K873 I874	P790-A870 HydrophobicContact CB-CB 3.63Å; P790-A870 HydrophobicContact CG-CB 3.96Å; I794-A870 HydrophobicContact CD1-CB 4.46Å; L828-A870 HydrophobicContact CD1-CB 4.07Å; L828-A870 HydrophobicContact CD2-CB 3.72Å; F866-A870 WeakPolarHBondContact O-CB 3.38Å; F866-A870 PolarHBondContact O-N 3.42Å; A867-A870 PolarHBondContact O-N 2.95Å; A870-L872 VanDerWaalsContact C-N 3.31Å; A870-L872 PolarHBondContact O-N 3.47Å; A870-K873 WeakPolarHBondContact O-CB 3.28Å; A870-K873 PolarHBondContact O-N 2.83Å; A870-I874 VanDerWaalsContact O-CG1 3.25Å; A870-I874 WeakPolarHBondContact O-CG1 3.22Å; A870-I874 PolarHBondContact O-N 3.35Å
871	I	98.6	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.6	-45.9	174.2	-69.6	168.9	0	0	0	111.2	L606 L609 L827 L828 A831 I841 P843 A867 C868 K873 I874 Y875	L606-I871 HydrophobicContact CD2-CG2 3.8Å; L609-I871 HydrophobicContact CD2-CB 4.4Å; L609-I871 HydrophobicContact CD2-CG2 4.07Å; L827-I871 HydrophobicContact CD1-CD1 4.29Å; L827-I871 HydrophobicContact CG-CD1 4.3Å; L828-I871 HydrophobicContact CD2-CG1 3.75Å; A831-I871 HydrophobicContact CB-CD1 3.83Å; A831-I871 HydrophobicContact CB-CG1 3.66Å; A831-I871 HydrophobicContact CB-CG2 4.37Å; I841-I871 HydrophobicContact CD1-CG2 4.38Å; I841-I871 HydrophobicContact CG2-CD1 4.34Å; I841-I871 HydrophobicContact CG2-CG2 4.12Å; P843-I871 HydrophobicContact CB-CD1 4.3Å; P843-I871 HydrophobicContact CG-CD1 3.83Å; A867-I871 VanDerWaalsContact O-CG1 3.3Å; A867-I871 WeakPolarHBondContact O-CG1 3.44Å; A867-I871 PolarHBondContact O-N 3.39Å; C868-I871 PolarHBondContact O-N 3.5Å; I871-K873 VanDerWaalsContact C-N 3.31Å; I871-K873 PolarHBondContact O-N 3Å; I871-I874 PolarHBondContact O-N 3.22Å; I871-Y875 PolarHBondContact O-N 3.39Å; I871-Y875 VanDerWaalsContact O-N 3.13Å
872	L	96.2	Very high	93.5	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-39	176.9	-66.1	173	0	0	0	111.7	L606 L609 K610 L613 C868 E869 A870 H876	L606-L872 HydrophobicContact CB-CD2 4.14Å; L606-L872 HydrophobicContact CD2-CD2 4.29Å; L606-L872 WeakPolarHBondContact O-CD2 3.16Å; L609-L872 HydrophobicContact CD2-CD2 4.29Å; L609-L872 HydrophobicContact CD2-CG 4.3Å; K610-L872 HydrophobicContact CB-CD1 4.03Å; K610-L872 HydrophobicContact CB-CD2 4.27Å; K610-L872 HydrophobicContact CG-CD1 4.33Å; L613-L872 HydrophobicContact CD1-CD1 3.81Å; C868-L872 PolarHBondContact O-N 3.14Å; E869-L872 PolarHBondContact O-N 2.82Å; A870-L872 VanDerWaalsContact C-N 3.31Å; A870-L872 PolarHBondContact O-N 3.47Å; L872-H876 PolarHBondContact O-CD2 3.17Å; L872-H876 PolarHBondContact O-N 2.92Å
873	K	94.9	Very high	93.4	Very high	71 Å²	71	46.5 Å²	46.5	31%	0.309	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-43.6	177.6	-167.2	174	-172	163.9	0	112	D789 P790 E869 A870 I871 Y875 H876 G877	D789-K873 VanDerWaalsContact CG-NZ 3.26Å; D789-K873 IonicContact OD1-NZ 4Å; D789-K873 PolarHBondContact OD1-NZ 2.93Å; D789-K873 IonicContact OD2-NZ 2.85Å; D789-K873 PolarHBondContact OD2-NZ 3.31Å; D789-K873 VanDerWaalsContact OD2-NZ 3.13Å; P790-K873 HydrophobicContact CG-CD 3.84Å; E869-K873 PolarHBondContact O-N 3.18Å; E869-K873 VanDerWaalsContact O-N 3.09Å; A870-K873 WeakPolarHBondContact O-CB 3.28Å; A870-K873 PolarHBondContact O-N 2.83Å; I871-K873 VanDerWaalsContact C-N 3.31Å; I871-K873 PolarHBondContact O-N 3Å; K873-Y875 PolarHBondContact O-N 2.94Å; K873-H876 PolarHBondContact O-N 3.09Å; K873-G877 PolarHBondContact O-N 3.37Å
874	I	97.1	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-52.6	177.1	-71.2	165.4	0	0	0	110.3	I794 L828 M832 I835 A870 I871 H876 G877 I878 V879	I794-I874 HydrophobicContact CD1-CD1 4.31Å; I794-I874 HydrophobicContact CD1-CG1 3.71Å; I794-I874 HydrophobicContact CG1-CD1 4.1Å; I794-I874 HydrophobicContact CG1-CG1 3.92Å; I794-I874 HydrophobicContact CG2-CG1 4.13Å; L828-I874 HydrophobicContact CD2-CD1 4.19Å; M832-I874 HydrophobicContact CE-CD1 3.61Å; M832-I874 HydrophobicContact CE-CG1 4.1Å; M832-I874 HydrophobicContact CG-CD1 4.15Å; M832-I874 HydrophobicContact CG-CG2 3.85Å; I835-I874 HydrophobicContact CD1-CB 4.33Å; I835-I874 HydrophobicContact CD1-CG2 3.6Å; A870-I874 VanDerWaalsContact O-CG1 3.25Å; A870-I874 WeakPolarHBondContact O-CG1 3.22Å; A870-I874 PolarHBondContact O-N 3.35Å; I871-I874 PolarHBondContact O-N 3.22Å; I874-H876 VanDerWaalsContact C-N 3.29Å; I874-H876 PolarHBondContact O-N 3.09Å; I874-G877 PolarHBondContact O-N 2.77Å; I874-I878 PolarHBondContact O-N 3.46Å; I874-V879 HydrophobicContact CG2-CB 3.73Å; I874-V879 HydrophobicContact CG2-CG2 3.68Å; I874-V879 PolarHBondContact O-N 2.75Å
875	Y	94.8	Very high	92.2	Very high	44 Å²	44	54.7 Å²	54.7	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-35.4	-180	175.7	-107.1	0	0	0	113.2	L602 L606 I835 I871 K873 K880	L602-Y875 HydrophobicContact CD2-CD2 4.25Å; L602-Y875 HydrophobicContact CD2-CE2 3.82Å; L602-Y875 HydrophobicContact CG-CE2 4.15Å; L606-Y875 HydrophobicContact CD1-CD1 3.31Å; L606-Y875 HydrophobicContact CD1-CD2 3.51Å; L606-Y875 HydrophobicContact CD1-CE1 3.72Å; L606-Y875 HydrophobicContact CD1-CE2 3.91Å; L606-Y875 HydrophobicContact CD1-CG 3.17Å; I835-Y875 HydrophobicContact CG1-CD2 4.41Å; I835-Y875 HydrophobicContact CG2-CD2 3.96Å; I871-Y875 PolarHBondContact O-N 3.39Å; I871-Y875 VanDerWaalsContact O-N 3.13Å; K873-Y875 PolarHBondContact O-N 2.94Å; Y875-K880 PolarHBondContact O-NZ 3.28Å
876	H	88.7	Confident	91.2	Very high	122 Å²	122	55.1 Å²	55.1	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-73.4	-35.5	-176.8	-80.4	-49.2	0	0	0	113.2	L872 K873 I874 K880	L872-H876 PolarHBondContact O-CD2 3.17Å; L872-H876 PolarHBondContact O-N 2.92Å; K873-H876 PolarHBondContact O-N 3.09Å; I874-H876 VanDerWaalsContact C-N 3.29Å; I874-H876 PolarHBondContact O-N 3.09Å; H876-K880 PolarHBondContact O-NZ 2.95Å; H876-K880 VanDerWaalsContact O-NZ 3.13Å
877	G	82.9	Confident	89.6	Confident	63 Å²	63	67.4 Å²	67.4	65%	0.649	32%	0.323	S	S	*	.	H	α-helix	trans	-134.1	-9.3	-169.7	0	0	0	0	0	118.1	K873 I874	K873-G877 PolarHBondContact O-N 3.37Å; I874-G877 PolarHBondContact O-N 2.77Å
878	I	86	Confident	89.2	Confident	68 Å²	68	70.8 Å²	70.8	35%	0.349	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-53.6	-164.5	-53.8	176.9	0	0	0	111.5	I794 I874	I794-I878 HydrophobicContact CB-CD1 4.3Å; I794-I878 HydrophobicContact CD1-CD1 4.05Å; I794-I878 HydrophobicContact CG2-CD1 3.46Å; I794-I878 VanDerWaalsContact CG2-CD1 3.46Å; I794-I878 HydrophobicContact CG2-CG2 4.17Å; I874-I878 PolarHBondContact O-N 3.46Å
879	V	91.3	Very high	88.7	Confident	11 Å²	11	74.5 Å²	74.5	7%	0.067	36%	0.357	C	S	.	.			trans	-116.6	137.8	-177.9	-176.4	0	0	0	0	109.6	M832 I835 E836 I874	M832-V879 HydrophobicContact CB-CG2 4.24Å; M832-V879 HydrophobicContact CG-CG2 3.97Å; M832-V879 HydrophobicContact SD-CG2 4.27Å; I835-V879 HydrophobicContact CB-CG1 4.07Å; I835-V879 HydrophobicContact CG2-CB 4.22Å; I835-V879 HydrophobicContact CG2-CG1 3.8Å; E836-V879 HydrophobicContact CG-CG1 3.51Å; E836-V879 WeakPolarHBondContact OE1-CG1 3.45Å; I874-V879 HydrophobicContact CG2-CB 3.73Å; I874-V879 HydrophobicContact CG2-CG2 3.68Å; I874-V879 PolarHBondContact O-N 2.75Å
880	K	92	Very high	88.3	Confident	111 Å²	111	73.5 Å²	73.5	48%	0.483	35%	0.353	S	S	.	.			trans	-127.4	154.8	178.4	-63.5	-64	178.5	-166.2	0	109.9	Y875 H876 L882	Y875-K880 PolarHBondContact O-NZ 3.28Å; H876-K880 PolarHBondContact O-NZ 2.95Å; H876-K880 VanDerWaalsContact O-NZ 3.13Å; K880-L882 PolarHBondContact O-N 3.19Å
881	P	92	Very high	87.7	Confident	27 Å²	27	77.8 Å²	77.8	18%	0.175	37%	0.374	C	S	.	.			trans	-53	137.1	167.7	-25.7	35.4	0	0	0	111.3	L602 I835 E836 L886	L602-P881 HydrophobicContact CD2-CG 3.82Å; I835-P881 VanDerWaalsContact O-CA 3.27Å; I835-P881 WeakPolarHBondContact O-CA 3.3Å; I835-P881 WeakPolarHBondContact O-CG 3.4Å; E836-P881 WeakPolarHBondContact O-CA 3.24Å; P881-L886 HydrophobicContact CB-CD1 4.38Å; P881-L886 HydrophobicContact CB-CD2 3.76Å; P881-L886 HydrophobicContact CB-CG 4.04Å; P881-L886 HydrophobicContact CG-CD2 4.38Å
882	L	90.1	Very high	87	Confident	76 Å²	76	82.7 Å²	82.7	40%	0.398	40%	0.398	S	S	.	.			trans	-74.2	149.2	175.3	-56.4	171.5	0	0	0	109.6	E836 K880 E884 Y885 L886	E836-L882 HydrophobicContact CB-CD1 4.11Å; E836-L882 HydrophobicContact CB-CG 4.01Å; E836-L882 HydrophobicContact CG-CG 4.27Å; E836-L882 PolarHBondContact O-N 3.42Å; K880-L882 PolarHBondContact O-N 3.19Å; L882-E884 HydrophobicContact CB-CG 4.17Å; L882-E884 PolarHBondContact O-N 3.14Å; L882-E884 VanDerWaalsContact O-N 3.11Å; L882-Y885 HydrophobicContact CB-CD2 4.07Å; L882-Y885 HydrophobicContact CD1-CE2 4.28Å; L882-Y885 PolarHBondContact O-N 2.89Å; L882-L886 PolarHBondContact O-N 2.7Å
883	E	85.7	Confident	86.4	Confident	151 Å²	151	86.7 Å²	86.7	71%	0.706	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30.4	-175.5	-67.7	-170.3	172.8	0	0	113.5	Y885 L886	E883-Y885 VanDerWaalsContact C-N 3.29Å; E883-Y885 PolarHBondContact O-N 2.77Å; E883-L886 PolarHBondContact O-N 2.86Å
884	E	83.2	Confident	85.8	Confident	127 Å²	127	87.8 Å²	87.8	59%	0.593	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-66.7	-27.2	178.8	65.5	-172.1	176.4	0	0	113.6	L882	L882-E884 HydrophobicContact CB-CG 4.17Å; L882-E884 PolarHBondContact O-N 3.14Å; L882-E884 VanDerWaalsContact O-N 3.11Å
885	Y	81	Confident	85	Confident	65 Å²	65	94.5 Å²	94.5	26%	0.255	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-92.8	-4.5	176.4	-62.9	-75.8	0	0	0	113.2	S682 E836 A837 L882 E883	S682-Y885 WeakPolarHBondContact CA-OH 3.17Å; S682-Y885 VanDerWaalsContact CB-OH 3.3Å; S682-Y885 WeakPolarHBondContact CB-OH 3.2Å; E836-Y885 WeakPolarHBondContact O-CD2 3.03Å; A837-Y885 HydrophobicContact CB-CE1 4.38Å; A837-Y885 HydrophobicContact CB-CE2 4.43Å; L882-Y885 HydrophobicContact CB-CD2 4.07Å; L882-Y885 HydrophobicContact CD1-CE2 4.28Å; L882-Y885 PolarHBondContact O-N 2.89Å; E883-Y885 VanDerWaalsContact C-N 3.29Å; E883-Y885 PolarHBondContact O-N 2.77Å
886	L	73.3	Confident	84.1	Confident	100 Å²	100	98.8 Å²	98.8	52%	0.524	48%	0.48	S	S	.	.			trans	-93.2	-11	177.4	-67.9	177.7	0	0	0	113.5	P881 L882 E883	P881-L886 HydrophobicContact CB-CD1 4.38Å; P881-L886 HydrophobicContact CB-CD2 3.76Å; P881-L886 HydrophobicContact CB-CG 4.04Å; P881-L886 HydrophobicContact CG-CD2 4.38Å; L882-L886 PolarHBondContact O-N 2.7Å; E883-L886 PolarHBondContact O-N 2.86Å
887	R	63.5	Low	83.7	Confident	264 Å²	264	96.6 Å²	96.6	100%	0.996	47%	0.472	S	S	*	.			trans	-87.4	0	175.6	-63.9	-179.4	-170.7	172.3	5.1	110.4

Retrieved 887 of 887 residues in 242.8 ms (Link to these results)

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