A0A5K4F861_SCHMA Loading...

Anaphase-promoting complex subunit 5

AlphaFold DB , UniProt , Accession A0A5K4F861, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 885 aa.

						>A0A5K4F861_SCHMA|A0A5K4F861
MIFYQKIGGESYFIDSVTHNSFMLFIILREYICSLTMPDNSEDQIPCINSKDTITLYMLMYEMLKENIGNPFDILKRDSQDVRIPAYLKPLIRGRIERLRNYYEAVAYTNLSTFKNLVFAKSSNVGNEIDDDDDENSGDGGGDANQNSNRRFFLTKDSVFGLFLRKFSLGIYSQSFEKLIQFFDSFFDAYDNELCSRSNSNIEDLIVQNFAHSFIRDQYLISTRNQALDICSEIIDSIGKIGGRPNLNLQKYNELLLLAKKMYPEVSYTHYASHAYALQKRNLTMAENELHAYFETCMASVQNPEISLTTSTFSGAGTASTTTTTTTAGPGTSASSVLTPPINSSNTCAHMAVTGAAMHLNFGHWYKGKCLIKEALQKSLESESKDSLGHVKVTHTLLNSSADPFRYDNEVPMKQSFKSNDVTLTEFRTKFWSALDTGSEPYKLLTVYFNSVNIISQAYFTVCQLDLATMWQFYGYPNMATVLMQCIISADCLEPCRHSDTILANAFANIIKEFNSMGSIETALKLSKICRSTLCRFPNQSPLLQASMEVELEQHLRSGYDLAQCDRLVNSLKLYCPWESAIRQAEVEQKRGNVSYTHDILRYIIDSIIARRDHDCGLLQQSTKNNHNNQLLQSNELWSQTNPFSHLILPTFPEHTPVGGLCRLALVELRAHLALIELLITLKLYVYAFNEIDITLKLCKRYRLSLGIEMIKLLQCAIHLSMNNKMAINDDNNNNPNDKNTKIDHIHTNNDVDPSSIWIHGLKQANPSVIFELNASLEEILHRTDQLTKFRCQVFLSRTRLLMDTNENNHSFIQMHMTELLKALNYYRQLDDRKRVLDILVLMAAALNSVNEYVKRNEVSKSFHILREHFGFKSLPSNRYVVDIL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	46.3	Very low	207 Å²	207	81.8 Å²	81.8	100%	1.02	44%	0.44	S	S	*	.				0	-22.8	0	-142.6	168.3	174.2	0	0	113.8
2	I	48.5	Very low	47	Very low	135 Å²	135	81.1 Å²	81.1	69%	0.692	43%	0.427	S	S	*	.	H	α-helix	trans	-71.5	-34.6	-178	-57.2	167.3	0	0	0	113.5	Q5 K6	I2-Q5 PolarHBondContact O-N 3.25Å; I2-K6 PolarHBondContact O-N 3.15Å
3	F	42.1	Very low	47.9	Very low	37 Å²	37	80.7 Å²	80.7	16%	0.162	42%	0.42	C	S	.	.	H	α-helix	trans	-66.3	-41.7	-175.2	-172.2	-107.7	0	0	0	114.1	Q5 K6 I7 L64 V159	F3-Q5 VanDerWaalsContact C-N 3.26Å; F3-Q5 PolarHBondContact O-N 3.04Å; F3-K6 PolarHBondContact O-N 3.11Å; F3-K6 VanDerWaalsContact O-N 3.15Å; F3-I7 HydrophobicContact CD1-CD1 3.98Å; F3-I7 HydrophobicContact CD1-CG1 4.36Å; F3-I7 HydrophobicContact CE1-CD1 3.17Å; F3-I7 HydrophobicContact CE1-CG1 3.87Å; F3-I7 HydrophobicContact CE2-CD1 4.25Å; F3-I7 HydrophobicContact CE2-CG1 4.27Å; F3-I7 HydrophobicContact CZ-CD1 3.34Å; F3-I7 HydrophobicContact CZ-CG1 3.83Å; F3-I7 PolarHBondContact O-N 3.05Å; F3-L64 HydrophobicContact CE1-CB 4.27Å; F3-L64 HydrophobicContact CE1-CD1 4.42Å; F3-L64 HydrophobicContact CE1-CD2 4.34Å; F3-L64 VanDerWaalsContact CE2-O 3.29Å; F3-L64 WeakPolarHBondContact CE2-O 3.01Å; F3-L64 HydrophobicContact CZ-CB 3.75Å; F3-L64 HydrophobicContact CZ-CD2 3.96Å; F3-L64 HydrophobicContact CZ-CG 4.32Å; F3-L64 WeakPolarHBondContact CZ-O 3.37Å; F3-V159 HydrophobicContact CD1-CG1 3.57Å; F3-V159 HydrophobicContact CE1-CG1 3.3Å
4	Y	39.7	Very low	48.6	Very low	97 Å²	97	80.1 Å²	80.1	38%	0.38	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-33.9	179.3	-151.4	-80.9	0	0	0	111.3	G8 D157 V159 L162	Y4-G8 WeakPolarHBondContact O-CA 3.38Å; Y4-G8 PolarHBondContact O-N 3Å; Y4-D157 WeakPolarHBondContact CE2-O 3.46Å; Y4-D157 VanDerWaalsContact OH-C 3.3Å; Y4-D157 WeakPolarHBondContact OH-CA 3.49Å; Y4-D157 PolarHBondContact OH-O 3.02Å; Y4-V159 HydrophobicContact CD2-CG2 3.88Å; Y4-V159 HydrophobicContact CE2-CG2 4.29Å; Y4-L162 HydrophobicContact CD1-CD1 4.19Å; Y4-L162 HydrophobicContact CD2-CD1 4.17Å; Y4-L162 HydrophobicContact CE1-CD1 3.56Å; Y4-L162 HydrophobicContact CE2-CD1 3.52Å; Y4-L162 HydrophobicContact CG-CD1 4.47Å; Y4-L162 VanDerWaalsContact OH-CD1 3.25Å; Y4-L162 WeakPolarHBondContact OH-CD1 3.38Å
5	Q	47.4	Very low	49.3	Very low	133 Å²	133	76.7 Å²	76.7	62%	0.621	40%	0.399	S	S	*	.	H	α-helix	trans	-72.4	-38.7	172.5	-71.2	175.1	-24	0	0	112	I2 F3 G8 G9	I2-Q5 PolarHBondContact O-N 3.25Å; F3-Q5 VanDerWaalsContact C-N 3.26Å; F3-Q5 PolarHBondContact O-N 3.04Å; Q5-G8 PolarHBondContact O-N 3.42Å; Q5-G9 PolarHBondContact O-N 2.93Å
6	K	49.2	Very low	50.3	Low	88 Å²	88	72.8 Å²	72.8	38%	0.383	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-49.1	177.2	-148.4	177.7	-173.5	-178.1	0	111.1	I2 F3 G9 D229	I2-K6 PolarHBondContact O-N 3.15Å; F3-K6 PolarHBondContact O-N 3.11Å; F3-K6 VanDerWaalsContact O-N 3.15Å; K6-G9 PolarHBondContact O-N 3.34Å; K6-D229 IonicContact NZ-OD1 3.74Å; K6-D229 PolarHBondContact NZ-OD1 3.37Å; K6-D229 IonicContact NZ-OD2 2.97Å; K6-D229 PolarHBondContact NZ-OD2 2.84Å
7	I	47.6	Very low	51.7	Low	14 Å²	14	69.7 Å²	69.7	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-49.5	170.9	-73.6	-169.8	0	0	0	109.5	F3 G9 E10 L162 K166	F3-I7 HydrophobicContact CD1-CD1 3.98Å; F3-I7 HydrophobicContact CD1-CG1 4.36Å; F3-I7 HydrophobicContact CE1-CD1 3.17Å; F3-I7 HydrophobicContact CE1-CG1 3.87Å; F3-I7 HydrophobicContact CE2-CD1 4.25Å; F3-I7 HydrophobicContact CE2-CG1 4.27Å; F3-I7 HydrophobicContact CZ-CD1 3.34Å; F3-I7 HydrophobicContact CZ-CG1 3.83Å; F3-I7 PolarHBondContact O-N 3.05Å; I7-G9 PolarHBondContact O-N 3.16Å; I7-G9 VanDerWaalsContact O-N 3.16Å; I7-E10 PolarHBondContact O-N 2.99Å; I7-L162 HydrophobicContact CG2-CB 4.06Å; I7-L162 HydrophobicContact CG2-CD1 4.49Å; I7-K166 HydrophobicContact CG2-CD 3.92Å; I7-K166 WeakPolarHBondContact O-CE 3.25Å; I7-K166 PolarHBondContact O-NZ 3.25Å
8	G	45	Very low	52.8	Low	53 Å²	53	66.6 Å²	66.6	55%	0.546	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-30.6	-178.4	0	0	0	0	0	114.6	Y4 Q5	Y4-G8 WeakPolarHBondContact O-CA 3.38Å; Y4-G8 PolarHBondContact O-N 3Å; Q5-G8 PolarHBondContact O-N 3.42Å
9	G	49.5	Very low	54	Low	37 Å²	37	64.3 Å²	64.3	38%	0.381	34%	0.337	S	S	.	.	H	α-helix	trans	-85.2	-10.9	-176	0	0	0	0	0	116.6	Q5 K6 I7 S11 L308	Q5-G9 PolarHBondContact O-N 2.93Å; K6-G9 PolarHBondContact O-N 3.34Å; I7-G9 PolarHBondContact O-N 3.16Å; I7-G9 VanDerWaalsContact O-N 3.16Å; G9-S11 PolarHBondContact O-N 2.86Å; G9-L308 WeakPolarHBondContact O-CD1 3.04Å; G9-L308 WeakPolarHBondContact O-CD2 3.04Å
10	E	51.1	Low	55.1	Low	50 Å²	50	61.5 Å²	61.5	23%	0.234	32%	0.322	C	S	.	.			trans	-78.9	118	179.7	-69.7	170	179.9	0	0	112	I7 K166 N225	I7-E10 PolarHBondContact O-N 2.99Å; E10-K166 PolarHBondContact O-NZ 2.77Å; E10-N225 PolarHBondContact OE1-ND2 2.87Å
11	S	51.2	Low	56.2	Low	49 Å²	49	59 Å²	59	34%	0.343	31%	0.31	S	S	.	.			trans	-90.1	-26.6	179.7	64.2	0	0	0	0	111.5	G9 F13 L308	G9-S11 PolarHBondContact O-N 2.86Å; S11-F13 PolarHBondContact O-N 3.32Å; S11-L308 WeakPolarHBondContact OG-CD1 3.38Å
12	Y	55	Low	58.4	Low	73 Å²	73	49.2 Å²	49.2	29%	0.286	26%	0.261	S	S	.	.			trans	-93.2	101.7	-179.8	-72.7	-75.5	0	0	0	110.8	I14 D15 E305 I306	Y12-I14 PolarHBondContact O-N 3.44Å; Y12-D15 PolarHBondContact O-N 3.43Å; Y12-E305 PolarHBondContact OH-O 3.3Å; Y12-I306 VanDerWaalsContact OH-CA 3.25Å; Y12-I306 WeakPolarHBondContact OH-CA 3.46Å; Y12-I306 WeakPolarHBondContact OH-CG1 3.44Å; Y12-I306 PolarHBondContact OH-N 3.42Å
13	F	59	Low	60.2	Low	76 Å²	76	42.8 Å²	42.8	33%	0.333	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61.8	-23.1	176.8	-58	-73.5	0	0	0	113.1	S11 D15 S16 K166 L169 G170	S11-F13 PolarHBondContact O-N 3.32Å; F13-D15 PolarHBondContact O-N 2.63Å; F13-S16 WeakPolarHBondContact O-CB 3.5Å; F13-S16 PolarHBondContact O-N 3.11Å; F13-S16 PolarHBondContact O-OG 3.06Å; F13-K166 HydrophobicContact CD1-CB 4.45Å; F13-K166 HydrophobicContact CD1-CG 4.38Å; F13-K166 HydrophobicContact CE1-CG 4.34Å; F13-L169 HydrophobicContact CB-CB 4.2Å; F13-L169 HydrophobicContact CD1-CB 3.63Å; F13-L169 HydrophobicContact CD1-CD1 4.06Å; F13-L169 HydrophobicContact CD2-CB 4.25Å; F13-L169 HydrophobicContact CE1-CB 4.01Å; F13-L169 HydrophobicContact CE1-CD1 3.53Å; F13-L169 HydrophobicContact CE1-CG 4.41Å; F13-L169 HydrophobicContact CE2-CD1 4.46Å; F13-L169 HydrophobicContact CG-CB 3.77Å; F13-L169 HydrophobicContact CZ-CB 4.47Å; F13-L169 HydrophobicContact CZ-CD1 3.77Å; F13-G170 VanDerWaalsContact CB-CA 3.48Å; F13-G170 WeakPolarHBondContact O-CA 3.46Å
14	I	57.2	Low	62.2	Low	72 Å²	72	41 Å²	41	37%	0.369	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-54.2	-40.1	176.8	-68.9	174.1	0	0	0	111.6	Y12 S16 V17	Y12-I14 PolarHBondContact O-N 3.44Å; I14-S16 PolarHBondContact O-N 3.26Å; I14-V17 PolarHBondContact O-N 3.33Å
15	D	59.3	Low	64.3	Low	30 Å²	30	36.4 Å²	36.4	16%	0.16	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-69.8	-13.7	-178.4	-73.6	-33.9	0	0	0	113.2	Y12 F13 V17 T223 R224	Y12-D15 PolarHBondContact O-N 3.43Å; F13-D15 PolarHBondContact O-N 2.63Å; D15-V17 VanDerWaalsContact C-N 3.31Å; D15-T223 WeakPolarHBondContact O-CG2 3.15Å; D15-R224 VanDerWaalsContact OD2-CB 3.3Å; D15-R224 WeakPolarHBondContact OD2-CB 3.09Å
16	S	65.7	Low	66.2	Low	14 Å²	14	30.1 Å²	30.1	10%	0.098	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-79.4	-12.1	176.4	72.9	0	0	0	0	113.4	F13 I14 S21 K166 F167	F13-S16 WeakPolarHBondContact O-CB 3.5Å; F13-S16 PolarHBondContact O-N 3.11Å; F13-S16 PolarHBondContact O-OG 3.06Å; I14-S16 PolarHBondContact O-N 3.26Å; S16-S21 VanDerWaalsContact O-CB 3.29Å; S16-S21 WeakPolarHBondContact O-CB 3.27Å; S16-S21 PolarHBondContact O-OG 3.39Å; S16-K166 PolarHBondContact OG-O 3.41Å; S16-K166 VanDerWaalsContact OG-O 3.11Å; S16-F167 VanDerWaalsContact O-CD2 3.26Å; S16-F167 WeakPolarHBondContact O-CD2 3.35Å; S16-F167 WeakPolarHBondContact OG-CA 3.26Å
17	V	73	Confident	67.9	Low	20 Å²	20	25.9 Å²	25.9	12%	0.121	16%	0.155	C	C	.	.			trans	-97.8	101	-176.3	-172.1	0	0	0	0	110.6	I14 D15 F167 G170 I171 F182	I14-V17 PolarHBondContact O-N 3.33Å; D15-V17 VanDerWaalsContact C-N 3.31Å; V17-F167 HydrophobicContact CG1-CE2 4.39Å; V17-G170 VanDerWaalsContact CG2-C 3.47Å; V17-I171 HydrophobicContact CG1-CG1 4.04Å; V17-I171 HydrophobicContact CG2-CG1 3.76Å; V17-F182 HydrophobicContact CG1-CD1 4.14Å; V17-F182 HydrophobicContact CG1-CD2 4.05Å; V17-F182 HydrophobicContact CG1-CE1 3.88Å; V17-F182 HydrophobicContact CG1-CE2 3.77Å; V17-F182 HydrophobicContact CG1-CG 4.22Å; V17-F182 HydrophobicContact CG1-CZ 3.69Å
18	T	72	Confident	69.5	Low	14 Å²	14	25.2 Å²	25.2	9%	0.086	15%	0.152	C	C	.	.			trans	-136.8	166.3	179.1	63	0	0	0	0	110.8	N20 S21 F22 T223	T18-N20 VanDerWaalsContact C-N 3.3Å; T18-N20 PolarHBondContact O-N 3.16Å; T18-S21 WeakPolarHBondContact CA-OG 3.28Å; T18-S21 PolarHBondContact N-OG 3.04Å; T18-S21 PolarHBondContact O-N 3.09Å; T18-S21 PolarHBondContact O-OG 3.45Å; T18-S21 WeakPolarHBondContact OG1-CB 3.48Å; T18-S21 PolarHBondContact OG1-N 3.37Å; T18-S21 VanDerWaalsContact OG1-N 3.09Å; T18-S21 PolarHBondContact OG1-OG 3.47Å; T18-F22 VanDerWaalsContact O-CB 3.32Å; T18-F22 WeakPolarHBondContact O-CB 3.39Å; T18-F22 PolarHBondContact O-N 3.03Å; T18-T223 HydrophobicContact CG2-CG2 3.35Å
19	H	76.2	Confident	71.2	Confident	23 Å²	23	23.6 Å²	23.6	11%	0.106	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-40.6	174.8	-66.6	-173.5	0	0	0	111.9	M23 P71 F182 S185 F186 Y219	H19-M23 VanDerWaalsContact O-CB 3.25Å; H19-M23 WeakPolarHBondContact O-CB 3.44Å; H19-M23 PolarHBondContact O-N 2.92Å; H19-P71 HydrophobicContact CB-CG 3.92Å; H19-F182 AromaticContact CD2-CE2 3.78Å; H19-S185 PolarHBondContact CE1-O 3.37Å; H19-F186 HydrophobicContact CB-CD2 3.94Å; H19-F186 HydrophobicContact CB-CE2 4.28Å; H19-F186 AromaticContact CD2-CD2 3.78Å; H19-F186 AromaticContact CG-CD2 3.78Å; H19-Y219 AromaticContact ND1-CE1 3.52Å
20	N	75.6	Confident	72.8	Confident	7 Å²	7	22.3 Å²	22.3	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-66.7	-44.3	177.9	-83.9	-9.4	0	0	0	112.7	T18 M23 L24 N67 I68 P71	T18-N20 VanDerWaalsContact C-N 3.3Å; T18-N20 PolarHBondContact O-N 3.16Å; N20-M23 PolarHBondContact O-N 3.23Å; N20-L24 VanDerWaalsContact O-CB 3.29Å; N20-L24 WeakPolarHBondContact O-CB 3.39Å; N20-L24 PolarHBondContact O-N 3.08Å; N20-N67 WeakPolarHBondContact ND2-CA 3.09Å; N20-N67 WeakPolarHBondContact ND2-CB 3.03Å; N20-N67 PolarHBondContact ND2-OD1 2.99Å; N20-I68 PolarHBondContact ND2-O 3Å; N20-P71 WeakPolarHBondContact OD1-CA 3.47Å; N20-P71 WeakPolarHBondContact OD1-CB 3.36Å; N20-P71 VanDerWaalsContact OD1-CD 3.23Å; N20-P71 WeakPolarHBondContact OD1-CD 3.44Å; N20-P71 WeakPolarHBondContact OD1-CG 3.45Å
21	S	78.3	Confident	74.1	Confident	11 Å²	11	20.3 Å²	20.3	8%	0.077	10%	0.104	C	C	.	.	H	α-helix	trans	-68.9	-38	177.1	54.7	0	0	0	0	111.9	S16 T18 L24 F25 F163 F167	S16-S21 VanDerWaalsContact O-CB 3.29Å; S16-S21 WeakPolarHBondContact O-CB 3.27Å; S16-S21 PolarHBondContact O-OG 3.39Å; T18-S21 WeakPolarHBondContact CA-OG 3.28Å; T18-S21 PolarHBondContact N-OG 3.04Å; T18-S21 PolarHBondContact O-N 3.09Å; T18-S21 PolarHBondContact O-OG 3.45Å; T18-S21 WeakPolarHBondContact OG1-CB 3.48Å; T18-S21 PolarHBondContact OG1-N 3.37Å; T18-S21 VanDerWaalsContact OG1-N 3.09Å; T18-S21 PolarHBondContact OG1-OG 3.47Å; S21-L24 PolarHBondContact O-N 2.72Å; S21-F25 WeakPolarHBondContact O-CB 3.25Å; S21-F25 PolarHBondContact O-N 3.22Å; S21-F163 WeakPolarHBondContact O-CZ 3.43Å; S21-F167 WeakPolarHBondContact OG-CE2 3.08Å
22	F	84.3	Confident	75.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-39.9	174.4	-173.2	-133.8	0	0	0	111.7	T18 F25 I26 L99 T109 F167 F182 F183 F186	T18-F22 VanDerWaalsContact O-CB 3.32Å; T18-F22 WeakPolarHBondContact O-CB 3.39Å; T18-F22 PolarHBondContact O-N 3.03Å; F22-F25 HydrophobicContact CD2-CD1 4.48Å; F22-F25 WeakPolarHBondContact O-CB 3.4Å; F22-F25 PolarHBondContact O-N 3.3Å; F22-I26 HydrophobicContact CD1-CD1 4.14Å; F22-I26 HydrophobicContact CD2-CD1 4.43Å; F22-I26 HydrophobicContact CD2-CG1 4.48Å; F22-I26 HydrophobicContact CE1-CD1 3.91Å; F22-I26 HydrophobicContact CE2-CD1 4.24Å; F22-I26 HydrophobicContact CE2-CG1 4.33Å; F22-I26 HydrophobicContact CG-CD1 4.4Å; F22-I26 HydrophobicContact CZ-CD1 3.99Å; F22-I26 VanDerWaalsContact O-CG1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.38Å; F22-L99 HydrophobicContact CZ-CD1 3.97Å; F22-T109 HydrophobicContact CE2-CG2 3.93Å; F22-F167 HydrophobicContact CB-CE2 4.14Å; F22-F167 HydrophobicContact CB-CZ 3.72Å; F22-F167 AromaticContact CD2-CE1 3.92Å; F22-F167 HydrophobicContact CD2-CE1 3.92Å; F22-F167 AromaticContact CD2-CZ 3.55Å; F22-F167 HydrophobicContact CD2-CZ 3.55Å; F22-F167 HydrophobicContact CG-CZ 4.07Å; F22-F182 HydrophobicContact CB-CE1 4.28Å; F22-F182 HydrophobicContact CB-CZ 3.92Å; F22-F182 HydrophobicContact CD1-CE1 4.11Å; F22-F182 HydrophobicContact CD1-CZ 4.37Å; F22-F182 HydrophobicContact CG-CE1 4.16Å; F22-F182 HydrophobicContact CG-CZ 4.29Å; F22-F183 HydrophobicContact CE1-CD1 4.15Å; F22-F183 AromaticContact CE1-CE1 3.9Å; F22-F183 HydrophobicContact CE1-CE1 3.9Å; F22-F183 HydrophobicContact CE2-CE1 4.1Å; F22-F183 HydrophobicContact CZ-CD1 4.23Å; F22-F183 AromaticContact CZ-CE1 3.57Å; F22-F183 HydrophobicContact CZ-CE1 3.57Å; F22-F186 HydrophobicContact CB-CE2 4.41Å; F22-F186 AromaticContact CD1-CD1 3.83Å; F22-F186 HydrophobicContact CD1-CD1 3.83Å; F22-F186 AromaticContact CD1-CD2 3.75Å; F22-F186 HydrophobicContact CD1-CD2 3.75Å; F22-F186 AromaticContact CD1-CE1 3.69Å; F22-F186 HydrophobicContact CD1-CE1 3.69Å; F22-F186 AromaticContact CD1-CE2 3.61Å; F22-F186 HydrophobicContact CD1-CE2 3.61Å; F22-F186 AromaticContact CD1-CG 3.85Å; F22-F186 HydrophobicContact CD1-CG 3.85Å; F22-F186 AromaticContact CD1-CZ 3.56Å; F22-F186 HydrophobicContact CD1-CZ 3.56Å; F22-F186 AromaticContact CE1-CD1 3.76Å; F22-F186 HydrophobicContact CE1-CD1 3.76Å; F22-F186 AromaticContact CE1-CE1 3.65Å; F22-F186 HydrophobicContact CE1-CE1 3.65Å; F22-F186 HydrophobicContact CE1-CE2 4.41Å; F22-F186 HydrophobicContact CE1-CG 4.19Å; F22-F186 AromaticContact CE1-CZ 3.99Å; F22-F186 HydrophobicContact CE1-CZ 3.99Å; F22-F186 HydrophobicContact CG-CE2 4.46Å
23	M	85.1	Confident	76	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-46.3	173.9	-170.7	59.8	-175	0	0	111.7	H19 N20 F25 I26 I27 M63 P71 L75 I92 I96	H19-M23 VanDerWaalsContact O-CB 3.25Å; H19-M23 WeakPolarHBondContact O-CB 3.44Å; H19-M23 PolarHBondContact O-N 2.92Å; N20-M23 PolarHBondContact O-N 3.23Å; M23-F25 VanDerWaalsContact C-N 3.29Å; M23-F25 PolarHBondContact O-N 3.18Å; M23-I26 PolarHBondContact O-N 3.31Å; M23-I27 HydrophobicContact CE-CD1 4.18Å; M23-I27 HydrophobicContact CE-CG1 4.3Å; M23-I27 HydrophobicContact CG-CD1 4.06Å; M23-I27 VanDerWaalsContact O-CG1 3.27Å; M23-I27 WeakPolarHBondContact O-CG1 3.38Å; M23-I27 PolarHBondContact O-N 3.34Å; M23-M63 HydrophobicContact CB-CE 4.08Å; M23-M63 HydrophobicContact CG-CE 4.03Å; M23-P71 HydrophobicContact CB-CB 3.98Å; M23-P71 HydrophobicContact CG-CB 4.12Å; M23-L75 HydrophobicContact CE-CD1 3.74Å; M23-L75 HydrophobicContact CE-CD2 3.87Å; M23-L75 HydrophobicContact CE-CG 3.73Å; M23-I92 HydrophobicContact CE-CG2 3.64Å; M23-I92 HydrophobicContact SD-CG2 4.4Å; M23-I96 HydrophobicContact CE-CD1 4.31Å; M23-I96 HydrophobicContact SD-CD1 4.03Å
24	L	84.1	Confident	76.6	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-42.1	173.4	171.7	64.8	0	0	0	111.6	N20 S21 I27 L28 M60 M63 L64 F163	N20-L24 VanDerWaalsContact O-CB 3.29Å; N20-L24 WeakPolarHBondContact O-CB 3.39Å; N20-L24 PolarHBondContact O-N 3.08Å; S21-L24 PolarHBondContact O-N 2.72Å; L24-I27 PolarHBondContact O-N 3.49Å; L24-L28 VanDerWaalsContact O-CB 3.22Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 PolarHBondContact O-N 3.42Å; L24-M60 HydrophobicContact CD1-CB 3.84Å; L24-M60 HydrophobicContact CD1-CG 3.96Å; L24-M63 HydrophobicContact CB-CB 4.47Å; L24-M63 HydrophobicContact CB-CE 4.09Å; L24-M63 HydrophobicContact CD1-CB 4.2Å; L24-M63 HydrophobicContact CD1-SD 4.48Å; L24-L64 HydrophobicContact CD2-CB 4.47Å; L24-L64 HydrophobicContact CD2-CD2 3.55Å; L24-L64 HydrophobicContact CD2-CG 3.49Å; L24-L64 VanDerWaalsContact CD2-CG 3.49Å; L24-F163 HydrophobicContact CB-CZ 4.29Å; L24-F163 HydrophobicContact CD2-CD1 4.11Å; L24-F163 HydrophobicContact CD2-CD2 4.37Å; L24-F163 HydrophobicContact CD2-CE1 3.66Å; L24-F163 HydrophobicContact CD2-CE2 3.95Å; L24-F163 HydrophobicContact CD2-CG 4.45Å; L24-F163 HydrophobicContact CD2-CZ 3.58Å; L24-F163 HydrophobicContact CG-CE1 3.81Å; L24-F163 HydrophobicContact CG-CZ 3.96Å
25	F	85.1	Confident	77.1	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-42.8	177.8	-178.7	-92	0	0	0	111.8	S21 F22 M23 R29 Y108 T109 F114 F163 L164 F167	S21-F25 WeakPolarHBondContact O-CB 3.25Å; S21-F25 PolarHBondContact O-N 3.22Å; F22-F25 HydrophobicContact CD2-CD1 4.48Å; F22-F25 WeakPolarHBondContact O-CB 3.4Å; F22-F25 PolarHBondContact O-N 3.3Å; M23-F25 VanDerWaalsContact C-N 3.29Å; M23-F25 PolarHBondContact O-N 3.18Å; F25-R29 VanDerWaalsContact O-CB 3.26Å; F25-R29 WeakPolarHBondContact O-CB 3.31Å; F25-R29 PolarHBondContact O-N 3.41Å; F25-Y108 HydrophobicContact CD1-CD1 4.49Å; F25-Y108 HydrophobicContact CD1-CE1 4.03Å; F25-Y108 AromaticContact CE1-CD1 3.92Å; F25-Y108 HydrophobicContact CE1-CD1 3.92Å; F25-Y108 AromaticContact CE1-CE1 3.81Å; F25-Y108 HydrophobicContact CE1-CE1 3.81Å; F25-T109 HydrophobicContact CE1-CG2 3.82Å; F25-T109 HydrophobicContact CZ-CG2 4.24Å; F25-F114 HydrophobicContact CE1-CE1 4.25Å; F25-F114 HydrophobicContact CE1-CE2 4.21Å; F25-F114 AromaticContact CE1-CZ 3.5Å; F25-F114 HydrophobicContact CE1-CZ 3.5Å; F25-F114 AromaticContact CE2-CE1 3.91Å; F25-F114 HydrophobicContact CE2-CE1 3.91Å; F25-F114 HydrophobicContact CE2-CE2 4.07Å; F25-F114 AromaticContact CE2-CZ 3.62Å; F25-F114 HydrophobicContact CE2-CZ 3.62Å; F25-F114 HydrophobicContact CZ-CD2 4.39Å; F25-F114 AromaticContact CZ-CE1 3.63Å; F25-F114 HydrophobicContact CZ-CE1 3.63Å; F25-F114 AromaticContact CZ-CE2 3.36Å; F25-F114 HydrophobicContact CZ-CE2 3.36Å; F25-F114 AromaticContact CZ-CZ 2.91Å; F25-F114 HydrophobicContact CZ-CZ 2.91Å; F25-F163 HydrophobicContact CB-CE1 4.33Å; F25-F163 HydrophobicContact CB-CZ 4.38Å; F25-L164 HydrophobicContact CD2-CD2 3.42Å; F25-L164 VanDerWaalsContact CD2-CD2 3.42Å; F25-L164 HydrophobicContact CE2-CD2 3.61Å; F25-L164 HydrophobicContact CG-CD2 4.42Å; F25-F167 HydrophobicContact CB-CD1 4.06Å; F25-F167 HydrophobicContact CB-CE1 3.91Å; F25-F167 HydrophobicContact CB-CZ 4.32Å; F25-F167 HydrophobicContact CD1-CD1 4.27Å; F25-F167 AromaticContact CD1-CE1 3.92Å; F25-F167 HydrophobicContact CD1-CE1 3.92Å; F25-F167 HydrophobicContact CD2-CB 4.32Å; F25-F167 AromaticContact CD2-CD1 3.2Å; F25-F167 HydrophobicContact CD2-CD1 3.2Å; F25-F167 AromaticContact CD2-CE1 3.7Å; F25-F167 HydrophobicContact CD2-CE1 3.7Å; F25-F167 AromaticContact CD2-CG 3.93Å; F25-F167 HydrophobicContact CD2-CG 3.93Å; F25-F167 HydrophobicContact CE1-CD1 4.44Å; F25-F167 HydrophobicContact CE1-CE1 4.2Å; F25-F167 AromaticContact CE2-CD1 3.43Å; F25-F167 HydrophobicContact CE2-CD1 3.43Å; F25-F167 VanDerWaalsContact CE2-CD1 3.43Å; F25-F167 HydrophobicContact CE2-CE1 4.02Å; F25-F167 HydrophobicContact CE2-CG 4.38Å; F25-F167 AromaticContact CG-CD1 3.63Å; F25-F167 HydrophobicContact CG-CD1 3.63Å; F25-F167 AromaticContact CG-CE1 3.6Å; F25-F167 HydrophobicContact CG-CE1 3.6Å; F25-F167 HydrophobicContact CG-CG 4.45Å; F25-F167 HydrophobicContact CG-CZ 4.46Å; F25-F167 AromaticContact CZ-CD1 3.98Å; F25-F167 HydrophobicContact CZ-CD1 3.98Å; F25-F167 HydrophobicContact CZ-CE1 4.18Å
26	I	86.3	Confident	77.1	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-48.9	174.5	-64.9	164.9	0	0	0	110.2	F22 M23 L28 R29 E30 I92 R95 I96 L99 Y108 F186	F22-I26 HydrophobicContact CD1-CD1 4.14Å; F22-I26 HydrophobicContact CD2-CD1 4.43Å; F22-I26 HydrophobicContact CD2-CG1 4.48Å; F22-I26 HydrophobicContact CE1-CD1 3.91Å; F22-I26 HydrophobicContact CE2-CD1 4.24Å; F22-I26 HydrophobicContact CE2-CG1 4.33Å; F22-I26 HydrophobicContact CG-CD1 4.4Å; F22-I26 HydrophobicContact CZ-CD1 3.99Å; F22-I26 VanDerWaalsContact O-CG1 3.3Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.38Å; M23-I26 PolarHBondContact O-N 3.31Å; I26-L28 PolarHBondContact O-N 3.32Å; I26-R29 PolarHBondContact O-N 2.89Å; I26-E30 HydrophobicContact CG2-CG 4.26Å; I26-E30 WeakPolarHBondContact O-CB 3.41Å; I26-E30 WeakPolarHBondContact O-CG 3.23Å; I26-E30 PolarHBondContact O-N 3.27Å; I26-I92 HydrophobicContact CG2-CG2 3.96Å; I26-R95 HydrophobicContact CG2-CB 4.34Å; I26-R95 HydrophobicContact CG2-CG 4.19Å; I26-I96 HydrophobicContact CD1-CG1 3.97Å; I26-L99 HydrophobicContact CD1-CD1 3.81Å; I26-L99 HydrophobicContact CG1-CD1 4.02Å; I26-Y108 HydrophobicContact CG1-CE1 4.31Å; I26-F186 HydrophobicContact CD1-CZ 4.4Å
27	I	84.9	Confident	76.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-52.5	179.4	-68	162.4	0	0	0	110.8	M23 L24 R29 E30 Y31 L56 M60 M63 I84 L88 I92	M23-I27 HydrophobicContact CE-CD1 4.18Å; M23-I27 HydrophobicContact CE-CG1 4.3Å; M23-I27 HydrophobicContact CG-CD1 4.06Å; M23-I27 VanDerWaalsContact O-CG1 3.27Å; M23-I27 WeakPolarHBondContact O-CG1 3.38Å; M23-I27 PolarHBondContact O-N 3.34Å; L24-I27 PolarHBondContact O-N 3.49Å; I27-R29 VanDerWaalsContact C-N 3.33Å; I27-R29 PolarHBondContact O-N 2.96Å; I27-E30 PolarHBondContact O-N 3.49Å; I27-Y31 WeakPolarHBondContact O-CB 3.5Å; I27-Y31 PolarHBondContact O-N 3.01Å; I27-L56 HydrophobicContact CG2-CD1 4.32Å; I27-M60 HydrophobicContact CG2-CG 4.23Å; I27-M60 HydrophobicContact CG2-SD 4.29Å; I27-M63 HydrophobicContact CD1-CE 3.99Å; I27-M63 HydrophobicContact CD1-SD 3.66Å; I27-I84 HydrophobicContact CD1-CD1 3.98Å; I27-I84 HydrophobicContact CG1-CD1 4.14Å; I27-I84 HydrophobicContact CG2-CD1 4.46Å; I27-L88 HydrophobicContact CG2-CD2 4.35Å; I27-I92 HydrophobicContact CB-CD1 4.44Å; I27-I92 HydrophobicContact CG1-CD1 3.75Å; I27-I92 HydrophobicContact CG1-CG1 4.39Å
28	L	81.8	Confident	75.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-177.3	-179.8	63.5	0	0	0	110.9	L24 I26 I32 M60 F152 F160 F163 L164	L24-L28 VanDerWaalsContact O-CB 3.22Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 PolarHBondContact O-N 3.42Å; I26-L28 PolarHBondContact O-N 3.32Å; L28-I32 HydrophobicContact CD1-CD1 4.1Å; L28-I32 HydrophobicContact CG-CD1 4Å; L28-I32 WeakPolarHBondContact O-CD1 3.34Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.34Å; L28-I32 PolarHBondContact O-N 3Å; L28-M60 HydrophobicContact CB-SD 4.38Å; L28-M60 HydrophobicContact CD1-CE 4.49Å; L28-M60 HydrophobicContact CD1-SD 3.85Å; L28-F152 HydrophobicContact CD1-CE1 4.09Å; L28-F152 HydrophobicContact CD1-CZ 3.64Å; L28-F160 HydrophobicContact CD1-CD1 4.29Å; L28-F160 HydrophobicContact CD1-CG 4.48Å; L28-F160 HydrophobicContact CD2-CB 4.06Å; L28-F160 HydrophobicContact CD2-CD1 4.06Å; L28-F160 HydrophobicContact CD2-CG 4.43Å; L28-F163 HydrophobicContact CD2-CD1 4.35Å; L28-L164 HydrophobicContact CD2-CD1 3.79Å; L28-L164 HydrophobicContact CD2-CD2 3.78Å; L28-L164 HydrophobicContact CD2-CG 3.68Å
29	R	80.8	Confident	73.5	Confident	18 Å²	18	33.1 Å²	33.1	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-71.1	-45.4	-178.9	-166.1	-171.5	-176.1	-177.8	5.1	112.4	F25 I26 I27 Y31 I32 C33 Y108 T113 F114	F25-R29 VanDerWaalsContact O-CB 3.26Å; F25-R29 WeakPolarHBondContact O-CB 3.31Å; F25-R29 PolarHBondContact O-N 3.41Å; I26-R29 PolarHBondContact O-N 2.89Å; I27-R29 VanDerWaalsContact C-N 3.33Å; I27-R29 PolarHBondContact O-N 2.96Å; R29-Y31 PolarHBondContact O-N 3.11Å; R29-I32 PolarHBondContact O-N 3.45Å; R29-C33 WeakPolarHBondContact O-CB 3.43Å; R29-C33 PolarHBondContact O-N 3.34Å; R29-C33 PolarHBondContact O-SG 2.91Å; R29-Y108 VanDerWaalsContact CD-CZ 3.43Å; R29-Y108 WeakPolarHBondContact CD-OH 3.32Å; R29-Y108 VanDerWaalsContact NH1-CD1 3.35Å; R29-Y108 PolarHBondContact NH1-O 2.62Å; R29-T113 VanDerWaalsContact NH2-CG2 3.27Å; R29-F114 HydrophobicContact CB-CE1 4.48Å; R29-F114 HydrophobicContact CG-CE1 3.96Å
30	E	83.2	Confident	71.6	Confident	11 Å²	11	39.6 Å²	39.6	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-34.8	177.2	-70.2	-57.2	138.8	0	0	111.2	I26 I27 C33 S34 L88 I92 R95 Y108	I26-E30 HydrophobicContact CG2-CG 4.26Å; I26-E30 WeakPolarHBondContact O-CB 3.41Å; I26-E30 WeakPolarHBondContact O-CG 3.23Å; I26-E30 PolarHBondContact O-N 3.27Å; I27-E30 PolarHBondContact O-N 3.49Å; E30-C33 PolarHBondContact O-N 3.29Å; E30-S34 WeakPolarHBondContact O-CB 3.49Å; E30-S34 PolarHBondContact O-N 2.87Å; E30-L88 HydrophobicContact CB-CD1 4.01Å; E30-I92 HydrophobicContact CB-CG1 4.45Å; E30-R95 HydrophobicContact CG-CB 4.3Å; E30-R95 HydrophobicContact CG-CG 4.46Å; E30-R95 IonicContact OE1-CZ 3.36Å; E30-R95 VanDerWaalsContact OE1-CZ 3.26Å; E30-R95 IonicContact OE1-NE 3.69Å; E30-R95 PolarHBondContact OE1-NE 3.32Å; E30-R95 IonicContact OE1-NH2 3.07Å; E30-R95 PolarHBondContact OE1-NH2 3.32Å; E30-R95 IonicContact OE2-NH2 2.94Å; E30-Y108 PolarHBondContact OE1-OH 2.89Å
31	Y	78.8	Confident	69.8	Low	8 Å²	8	43.8 Å²	43.8	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-48.6	172.7	-178.4	-114	0	0	0	112	I27 R29 C33 S34 L35 T53 L56 Y87 L88 F152	I27-Y31 WeakPolarHBondContact O-CB 3.5Å; I27-Y31 PolarHBondContact O-N 3.01Å; R29-Y31 PolarHBondContact O-N 3.11Å; Y31-C33 PolarHBondContact O-N 2.97Å; Y31-S34 PolarHBondContact O-N 2.82Å; Y31-S34 PolarHBondContact O-OG 3.07Å; Y31-L35 HydrophobicContact CD1-CD1 4.28Å; Y31-L35 HydrophobicContact CE1-CD1 3.81Å; Y31-L35 WeakPolarHBondContact O-CG 3.34Å; Y31-L35 PolarHBondContact O-N 3.2Å; Y31-T53 WeakPolarHBondContact OH-CG2 3.17Å; Y31-L56 HydrophobicContact CD1-CD2 4.22Å; Y31-L56 HydrophobicContact CD2-CD2 3.43Å; Y31-L56 VanDerWaalsContact CD2-CD2 3.43Å; Y31-L56 HydrophobicContact CE1-CD2 4.28Å; Y31-L56 HydrophobicContact CE2-CD2 3.54Å; Y31-L56 HydrophobicContact CG-CD2 3.8Å; Y31-Y87 WeakPolarHBondContact CE2-OH 3.36Å; Y31-L88 HydrophobicContact CD2-CD2 4.38Å; Y31-F152 HydrophobicContact CD1-CD2 4.14Å; Y31-F152 AromaticContact CD1-CE2 3.91Å; Y31-F152 HydrophobicContact CD1-CE2 3.91Å; Y31-F152 AromaticContact CE1-CD2 3.49Å; Y31-F152 HydrophobicContact CE1-CD2 3.49Å; Y31-F152 VanDerWaalsContact CE1-CD2 3.49Å; Y31-F152 AromaticContact CE1-CE2 3.55Å; Y31-F152 HydrophobicContact CE1-CE2 3.55Å; Y31-F152 HydrophobicContact CE1-CG 4.48Å
32	I	74.1	Confident	67.9	Low	13 Å²	13	52.9 Å²	52.9	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-45.7	176.2	-68	163.6	0	0	0	111	L28 R29 S34 L35 T36 V118 F152 L154	L28-I32 HydrophobicContact CD1-CD1 4.1Å; L28-I32 HydrophobicContact CG-CD1 4Å; L28-I32 WeakPolarHBondContact O-CD1 3.34Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.34Å; L28-I32 PolarHBondContact O-N 3Å; R29-I32 PolarHBondContact O-N 3.45Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.24Å; I32-L35 WeakPolarHBondContact O-CB 3.24Å; I32-L35 PolarHBondContact O-N 3.27Å; I32-L35 VanDerWaalsContact O-N 3.08Å; I32-T36 PolarHBondContact O-N 3.13Å; I32-T36 PolarHBondContact O-OG1 3.48Å; I32-V118 HydrophobicContact CD1-CG1 4.08Å; I32-V118 HydrophobicContact CG2-CG1 4.27Å; I32-V118 HydrophobicContact CG2-CG2 4.12Å; I32-F152 HydrophobicContact CD1-CE1 4.32Å; I32-F152 HydrophobicContact CG1-CD1 4.35Å; I32-F152 HydrophobicContact CG1-CE1 4.27Å; I32-L154 HydrophobicContact CD1-CD1 4.29Å
33	C	72.3	Confident	65.6	Low	16 Å²	16	59.6 Å²	59.6	11%	0.108	33%	0.326	C	S	.	.	H	α-helix	trans	-57.8	-42.2	177	-72	0	0	0	0	111.4	R29 E30 Y31 L35 T36 M37	R29-C33 WeakPolarHBondContact O-CB 3.43Å; R29-C33 PolarHBondContact O-N 3.34Å; R29-C33 PolarHBondContact O-SG 2.91Å; E30-C33 PolarHBondContact O-N 3.29Å; Y31-C33 PolarHBondContact O-N 2.97Å; C33-L35 PolarHBondContact O-N 3Å; C33-T36 WeakPolarHBondContact CA-OG1 3.35Å; C33-T36 PolarHBondContact O-N 3.49Å; C33-T36 PolarHBondContact O-OG1 3.29Å; C33-M37 PolarHBondContact O-N 3.01Å
34	S	71.4	Confident	63.3	Low	29 Å²	29	68.5 Å²	68.5	20%	0.203	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-26.4	178	76.9	0	0	0	0	113.5	E30 Y31 I32	E30-S34 WeakPolarHBondContact O-CB 3.49Å; E30-S34 PolarHBondContact O-N 2.87Å; Y31-S34 PolarHBondContact O-N 2.82Å; Y31-S34 PolarHBondContact O-OG 3.07Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.24Å
35	L	66.5	Low	61.4	Low	78 Å²	78	74.3 Å²	74.3	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-82	-18.5	175.3	-65.4	169.9	0	0	0	113.3	Y31 I32 C33 I48 F152	Y31-L35 HydrophobicContact CD1-CD1 4.28Å; Y31-L35 HydrophobicContact CE1-CD1 3.81Å; Y31-L35 WeakPolarHBondContact O-CG 3.34Å; Y31-L35 PolarHBondContact O-N 3.2Å; I32-L35 WeakPolarHBondContact O-CB 3.24Å; I32-L35 PolarHBondContact O-N 3.27Å; I32-L35 VanDerWaalsContact O-N 3.08Å; C33-L35 PolarHBondContact O-N 3Å; L35-I48 HydrophobicContact CD2-CD1 4.3Å; L35-F152 HydrophobicContact CD1-CB 3.91Å; L35-F152 HydrophobicContact CD1-CG 4.47Å
36	T	59.8	Low	59.4	Low	81 Å²	81	79.2 Å²	79.2	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-102.1	-1.9	-174.1	56.1	0	0	0	0	114.8	I32 C33 P38	I32-T36 PolarHBondContact O-N 3.13Å; I32-T36 PolarHBondContact O-OG1 3.48Å; C33-T36 WeakPolarHBondContact CA-OG1 3.35Å; C33-T36 PolarHBondContact O-N 3.49Å; C33-T36 PolarHBondContact O-OG1 3.29Å; T36-P38 WeakPolarHBondContact O-CD 3.41Å
37	M	53.6	Low	57.2	Low	134 Å²	134	84 Å²	84	66%	0.66	46%	0.462	S	S	*	.			trans	-68.7	122.3	178	-71.4	-64.9	166.8	0	0	110	C33 D39	C33-M37 PolarHBondContact O-N 3.01Å; M37-D39 PolarHBondContact O-N 3.02Å
38	P	44	Very low	55.7	Low	105 Å²	105	85.9 Å²	85.9	68%	0.682	47%	0.472	S	S	*	.			trans	-68.7	124.7	175.7	26.2	-29.9	0	0	0	109.7	T36 N40	T36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-N40 PolarHBondContact O-N 3.48Å
39	D	37.8	Very low	54.5	Low	160 Å²	160	90.7 Å²	90.7	86%	0.856	50%	0.497	S	S	*	.			trans	-51.2	101.2	175.8	-67.4	-42.9	0	0	0	111.1	M37	M37-D39 PolarHBondContact O-N 3.02Å
40	N	36.4	Very low	53.5	Low	159 Å²	159	93.9 Å²	93.9	85%	0.85	52%	0.522	S	S	*	.			trans	-139.4	18.1	171.9	-88.7	-19.1	0	0	0	113	P38	P38-N40 PolarHBondContact O-N 3.48Å
41	S	37.6	Very low	52.6	Low	95 Å²	95	99.8 Å²	99.8	66%	0.664	55%	0.548	S	S	*	.	S	Bend	trans	-134.5	128.8	173.5	55.1	0	0	0	0	110.4	D43	S41-D43 PolarHBondContact O-N 2.97Å
42	E	38	Very low	52	Low	202 Å²	202	102.9 Å²	102.9	94%	0.944	57%	0.565	S	S	*	*	S	Bend	trans	-61.8	4.3	-177.9	-69.3	-176.4	145.4	0	0	115.5	Q44	E42-Q44 PolarHBondContact O-N 2.9Å
43	D	36.5	Very low	51.6	Low	142 Å²	142	103.7 Å²	103.7	76%	0.759	57%	0.57	S	S	*	*	S	Bend	trans	-88.7	93.3	172.7	-73.2	-33.1	0	0	0	110	S41 I45	S41-D43 PolarHBondContact O-N 2.97Å; D43-I45 PolarHBondContact O-N 3.34Å
44	Q	37.3	Very low	51.5	Low	187 Å²	187	107.9 Å²	107.9	87%	0.874	59%	0.591	S	S	*	*			trans	-48.8	105.5	172.5	-69	177.3	6.1	0	0	110.6	E42 P46	E42-Q44 PolarHBondContact O-N 2.9Å; Q44-P46 VanDerWaalsContact O-CD 3.28Å; Q44-P46 WeakPolarHBondContact O-CD 3.45Å; Q44-P46 VanDerWaalsContact O-N 3.15Å
45	I	43.9	Very low	51.5	Low	122 Å²	122	107.5 Å²	107.5	63%	0.626	59%	0.587	S	S	*	*			trans	-65	113.6	160.8	-60.5	175.2	0	0	0	105.2	D43 C47	D43-I45 PolarHBondContact O-N 3.34Å; I45-C47 PolarHBondContact O-N 3.26Å
46	P	42.5	Very low	52	Low	104 Å²	104	103.9 Å²	103.9	68%	0.675	57%	0.568	S	S	*	*			trans	-61	128.8	-170.3	23.6	-32	0	0	0	109.1	Q44 I48	Q44-P46 VanDerWaalsContact O-CD 3.28Å; Q44-P46 WeakPolarHBondContact O-CD 3.45Å; Q44-P46 VanDerWaalsContact O-N 3.15Å; P46-I48 PolarHBondContact O-N 3.28Å
47	C	41.3	Very low	52.7	Low	100 Å²	100	103.7 Å²	103.7	68%	0.676	56%	0.559	S	S	*	*			trans	-34.9	110.5	171.7	-100.5	0	0	0	0	110.7	I45 N49 R150	I45-C47 PolarHBondContact O-N 3.26Å; C47-N49 PolarHBondContact O-N 2.95Å; C47-N49 VanDerWaalsContact O-N 3.15Å; C47-R150 PolarHBondContact SG-NH1 2.87Å
48	I	52.6	Low	53.7	Low	40 Å²	40	101.9 Å²	101.9	21%	0.205	55%	0.55	C	S	.	.			trans	-54.5	121.9	-178.4	-54.1	169	0	0	0	108.3	L35 P46 S50 D52 T53	L35-I48 HydrophobicContact CD2-CD1 4.3Å; P46-I48 PolarHBondContact O-N 3.28Å; I48-S50 PolarHBondContact O-N 3.06Å; I48-D52 HydrophobicContact CG2-CB 4.23Å; I48-T53 WeakPolarHBondContact CG2-OG1 3.19Å
49	N	56.6	Low	55.3	Low	101 Å²	101	97.4 Å²	97.4	54%	0.54	52%	0.52	S	S	.	.			trans	-64.4	134.1	175.5	-149.9	-7.3	0	0	0	107.9	C47 K51 D52 T53	C47-N49 PolarHBondContact O-N 2.95Å; C47-N49 VanDerWaalsContact O-N 3.15Å; N49-K51 PolarHBondContact O-N 3.22Å; N49-D52 PolarHBondContact O-N 3.29Å; N49-T53 PolarHBondContact O-N 3.24Å; N49-T53 PolarHBondContact O-OG1 3Å
50	S	59.9	Low	57.2	Low	85 Å²	85	89.9 Å²	89.9	59%	0.594	48%	0.48	S	S	*	.	H	α-helix	trans	-53.3	-31.4	-175.1	57.6	0	0	0	0	112.8	I48 I54	I48-S50 PolarHBondContact O-N 3.06Å; S50-I54 WeakPolarHBondContact O-CD1 3.27Å; S50-I54 VanDerWaalsContact O-CG1 3.28Å; S50-I54 WeakPolarHBondContact O-CG1 3.26Å; S50-I54 PolarHBondContact O-N 2.89Å; S50-I54 VanDerWaalsContact O-N 3.09Å
51	K	64.2	Low	59	Low	135 Å²	135	86.8 Å²	86.8	59%	0.587	46%	0.457	S	S	*	.	H	α-helix	trans	-65.2	-36.8	175.9	-165.6	174.8	-178	179.2	0	113.7	N49 T55	N49-K51 PolarHBondContact O-N 3.22Å; K51-T55 PolarHBondContact O-N 3.34Å; K51-T55 PolarHBondContact O-OG1 2.82Å
52	D	65	Low	60.6	Low	72 Å²	72	86.3 Å²	86.3	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-73.8	-39.6	-180	-64.1	-25.5	0	0	0	110.5	I48 N49 T55 L56	I48-D52 HydrophobicContact CG2-CB 4.23Å; N49-D52 PolarHBondContact O-N 3.29Å; D52-T55 PolarHBondContact O-N 3Å; D52-L56 WeakPolarHBondContact O-CB 3.28Å; D52-L56 PolarHBondContact O-N 3.16Å
53	T	66.6	Low	62.2	Low	30 Å²	30	77 Å²	77	18%	0.184	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-50.9	172.8	-39.5	0	0	0	0	111	Y31 I48 N49 T55 L56 Y57	Y31-T53 WeakPolarHBondContact OH-CG2 3.17Å; I48-T53 WeakPolarHBondContact CG2-OG1 3.19Å; N49-T53 PolarHBondContact O-N 3.24Å; N49-T53 PolarHBondContact O-OG1 3Å; T53-T55 VanDerWaalsContact C-N 3.26Å; T53-T55 PolarHBondContact O-N 3.46Å; T53-L56 PolarHBondContact O-N 2.91Å; T53-Y57 HydrophobicContact CG2-CD2 3.86Å; T53-Y57 HydrophobicContact CG2-CE2 3.44Å; T53-Y57 VanDerWaalsContact CG2-CE2 3.44Å; T53-Y57 WeakPolarHBondContact O-CD2 2.98Å; T53-Y57 PolarHBondContact O-N 3.23Å
54	I	70.3	Confident	63.7	Low	105 Å²	105	71.5 Å²	71.5	54%	0.538	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-40.5	178.3	-69	165.6	0	0	0	110.6	S50 Y57 M58	S50-I54 WeakPolarHBondContact O-CD1 3.27Å; S50-I54 VanDerWaalsContact O-CG1 3.28Å; S50-I54 WeakPolarHBondContact O-CG1 3.26Å; S50-I54 PolarHBondContact O-N 2.89Å; S50-I54 VanDerWaalsContact O-N 3.09Å; I54-Y57 PolarHBondContact O-N 3.26Å; I54-M58 HydrophobicContact CG2-CG 4.4Å; I54-M58 WeakPolarHBondContact O-CG 3.23Å; I54-M58 PolarHBondContact O-N 3.46Å
55	T	71.4	Confident	65	Low	21 Å²	21	68.4 Å²	68.4	13%	0.129	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-37.8	-179.7	-40.6	0	0	0	0	112.5	K51 D52 T53 Y57 M58 L59 R83	K51-T55 PolarHBondContact O-N 3.34Å; K51-T55 PolarHBondContact O-OG1 2.82Å; D52-T55 PolarHBondContact O-N 3Å; T53-T55 VanDerWaalsContact C-N 3.26Å; T53-T55 PolarHBondContact O-N 3.46Å; T55-Y57 VanDerWaalsContact C-N 3.32Å; T55-Y57 PolarHBondContact O-N 3.33Å; T55-M58 PolarHBondContact O-N 3.04Å; T55-L59 WeakPolarHBondContact O-CB 3.46Å; T55-L59 PolarHBondContact O-N 3.45Å; T55-R83 HydrophobicContact CG2-CB 3.59Å; T55-R83 VanDerWaalsContact CG2-CD 3.44Å; T55-R83 HydrophobicContact CG2-CG 3.67Å; T55-R83 PolarHBondContact OG1-NH1 3.5Å
56	L	77.1	Confident	65.6	Low	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-41	173.4	-177.1	63.8	0	0	0	111.1	I27 Y31 D52 T53 L59 M60 I84 P85 L88	I27-L56 HydrophobicContact CG2-CD1 4.32Å; Y31-L56 HydrophobicContact CD1-CD2 4.22Å; Y31-L56 HydrophobicContact CD2-CD2 3.43Å; Y31-L56 VanDerWaalsContact CD2-CD2 3.43Å; Y31-L56 HydrophobicContact CE1-CD2 4.28Å; Y31-L56 HydrophobicContact CE2-CD2 3.54Å; Y31-L56 HydrophobicContact CG-CD2 3.8Å; D52-L56 WeakPolarHBondContact O-CB 3.28Å; D52-L56 PolarHBondContact O-N 3.16Å; T53-L56 PolarHBondContact O-N 2.91Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-M60 HydrophobicContact CG-CE 4.13Å; L56-M60 HydrophobicContact CG-SD 4.48Å; L56-M60 WeakPolarHBondContact O-CB 3.43Å; L56-M60 VanDerWaalsContact O-CG 3.31Å; L56-M60 WeakPolarHBondContact O-CG 3.31Å; L56-M60 PolarHBondContact O-N 2.92Å; L56-I84 HydrophobicContact CD1-CG1 4.32Å; L56-P85 HydrophobicContact CD2-CG 4.38Å; L56-L88 HydrophobicContact CD1-CD2 4.47Å; L56-L88 HydrophobicContact CD2-CD2 4.28Å
57	Y	74	Confident	66.2	Low	78 Å²	78	65.4 Å²	65.4	31%	0.306	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-44.1	173.8	-79.5	-68.8	0	0	0	112.8	T53 I54 T55 L59 M60 Y61 F152 F160	T53-Y57 HydrophobicContact CG2-CD2 3.86Å; T53-Y57 HydrophobicContact CG2-CE2 3.44Å; T53-Y57 VanDerWaalsContact CG2-CE2 3.44Å; T53-Y57 WeakPolarHBondContact O-CD2 2.98Å; T53-Y57 PolarHBondContact O-N 3.23Å; I54-Y57 PolarHBondContact O-N 3.26Å; T55-Y57 VanDerWaalsContact C-N 3.32Å; T55-Y57 PolarHBondContact O-N 3.33Å; Y57-L59 VanDerWaalsContact C-N 3.33Å; Y57-M60 HydrophobicContact CD1-CE 3.73Å; Y57-M60 HydrophobicContact CE1-CE 4.29Å; Y57-M60 HydrophobicContact CG-CE 4.29Å; Y57-M60 PolarHBondContact O-N 3.46Å; Y57-Y61 VanDerWaalsContact O-CB 3.23Å; Y57-Y61 WeakPolarHBondContact O-CB 3.43Å; Y57-Y61 PolarHBondContact O-N 3.43Å; Y57-F152 AromaticContact CD1-CE2 3.98Å; Y57-F152 HydrophobicContact CD1-CE2 3.98Å; Y57-F152 AromaticContact CE1-CD2 3.59Å; Y57-F152 HydrophobicContact CE1-CD2 3.59Å; Y57-F152 AromaticContact CE1-CE2 2.99Å; Y57-F152 HydrophobicContact CE1-CE2 2.99Å; Y57-F152 AromaticContact CE1-CZ 3.7Å; Y57-F152 HydrophobicContact CE1-CZ 3.7Å; Y57-F152 HydrophobicContact CE2-CD2 4.47Å; Y57-F152 HydrophobicContact CE2-CE2 4.47Å; Y57-F152 AromaticContact CZ-CD2 3.37Å; Y57-F152 AromaticContact CZ-CE2 3.32Å; Y57-F152 WeakPolarHBondContact OH-CD2 3.34Å; Y57-F152 VanDerWaalsContact OH-CE2 3.27Å; Y57-F152 WeakPolarHBondContact OH-CE2 3.21Å; Y57-F160 HydrophobicContact CD1-CE2 4.29Å
58	M	74.6	Confident	67	Low	95 Å²	95	62.6 Å²	62.6	47%	0.468	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.7	-74	-64.1	-62.8	0	0	110.7	I54 T55 Y61 E62	I54-M58 HydrophobicContact CG2-CG 4.4Å; I54-M58 WeakPolarHBondContact O-CG 3.23Å; I54-M58 PolarHBondContact O-N 3.46Å; T55-M58 PolarHBondContact O-N 3.04Å; M58-Y61 CarbonylContact O-C 3.46Å; M58-Y61 PolarHBondContact O-N 3.21Å; M58-E62 WeakPolarHBondContact O-CB 3.44Å; M58-E62 VanDerWaalsContact O-CG 3.28Å; M58-E62 WeakPolarHBondContact O-CG 3.49Å; M58-E62 PolarHBondContact O-N 2.71Å
59	L	76.9	Confident	67.4	Low	12 Å²	12	63.1 Å²	63.1	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-47.2	175.3	179.8	68.2	0	0	0	111.9	T55 L56 Y57 Y61 E62 M63 I68 I74 V82 I84	T55-L59 WeakPolarHBondContact O-CB 3.46Å; T55-L59 PolarHBondContact O-N 3.45Å; L56-L59 PolarHBondContact O-N 3.39Å; Y57-L59 VanDerWaalsContact C-N 3.33Å; L59-Y61 VanDerWaalsContact C-N 3.3Å; L59-Y61 PolarHBondContact O-N 3.27Å; L59-E62 PolarHBondContact O-N 3.18Å; L59-M63 WeakPolarHBondContact O-CG 3.33Å; L59-M63 PolarHBondContact O-N 2.98Å; L59-I68 HydrophobicContact CD1-CD1 3.64Å; L59-I74 HydrophobicContact CD2-CG2 4.1Å; L59-V82 HydrophobicContact CD1-CG1 3.98Å; L59-V82 HydrophobicContact CD2-CG1 4.12Å; L59-I84 HydrophobicContact CD2-CD1 4.24Å; L59-I84 HydrophobicContact CD2-CG1 3.56Å
60	M	78	Confident	67.9	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-35.4	177.9	-70.5	-173.7	-61.9	0	0	112	L24 I27 L28 L56 Y57 L64 F152 F160	L24-M60 HydrophobicContact CD1-CB 3.84Å; L24-M60 HydrophobicContact CD1-CG 3.96Å; I27-M60 HydrophobicContact CG2-CG 4.23Å; I27-M60 HydrophobicContact CG2-SD 4.29Å; L28-M60 HydrophobicContact CB-SD 4.38Å; L28-M60 HydrophobicContact CD1-CE 4.49Å; L28-M60 HydrophobicContact CD1-SD 3.85Å; L56-M60 HydrophobicContact CG-CE 4.13Å; L56-M60 HydrophobicContact CG-SD 4.48Å; L56-M60 WeakPolarHBondContact O-CB 3.43Å; L56-M60 VanDerWaalsContact O-CG 3.31Å; L56-M60 WeakPolarHBondContact O-CG 3.31Å; L56-M60 PolarHBondContact O-N 2.92Å; Y57-M60 HydrophobicContact CD1-CE 3.73Å; Y57-M60 HydrophobicContact CE1-CE 4.29Å; Y57-M60 HydrophobicContact CG-CE 4.29Å; Y57-M60 PolarHBondContact O-N 3.46Å; M60-L64 WeakPolarHBondContact O-CB 3.42Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.47Å; M60-F152 HydrophobicContact CE-CE2 4.21Å; M60-F152 HydrophobicContact CE-CZ 4.45Å; M60-F160 HydrophobicContact CB-CE1 3.69Å; M60-F160 HydrophobicContact CB-CZ 3.82Å
61	Y	73.9	Confident	68.3	Low	94 Å²	94	55.1 Å²	55.1	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-71.2	-37.7	175	-171.4	-99.2	0	0	0	111.9	Y57 M58 L59 L64 K65	Y57-Y61 VanDerWaalsContact O-CB 3.23Å; Y57-Y61 WeakPolarHBondContact O-CB 3.43Å; Y57-Y61 PolarHBondContact O-N 3.43Å; M58-Y61 CarbonylContact O-C 3.46Å; M58-Y61 PolarHBondContact O-N 3.21Å; L59-Y61 VanDerWaalsContact C-N 3.3Å; L59-Y61 PolarHBondContact O-N 3.27Å; Y61-L64 WeakPolarHBondContact O-CB 3.44Å; Y61-L64 PolarHBondContact O-N 2.86Å; Y61-K65 HydrophobicContact CE1-CD 3.98Å; Y61-K65 WeakPolarHBondContact O-CB 3.42Å; Y61-K65 PolarHBondContact O-N 3.19Å
62	E	71.5	Confident	68.9	Low	85 Å²	85	49 Å²	49	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-49.2	171.2	-78.3	171.6	-174.5	0	0	110	M58 L59 L64 K65 E66	M58-E62 WeakPolarHBondContact O-CB 3.44Å; M58-E62 VanDerWaalsContact O-CG 3.28Å; M58-E62 WeakPolarHBondContact O-CG 3.49Å; M58-E62 PolarHBondContact O-N 2.71Å; L59-E62 PolarHBondContact O-N 3.18Å; E62-L64 PolarHBondContact O-N 3.13Å; E62-K65 PolarHBondContact O-N 3.28Å; E62-E66 CarbonylContact O-C 3.59Å; E62-E66 WeakPolarHBondContact O-CA 3.34Å; E62-E66 PolarHBondContact O-N 2.86Å
63	M	72.2	Confident	69.2	Low	8 Å²	8	48.2 Å²	48.2	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-30.7	174.3	-71.7	-175.3	80.6	0	0	113.7	M23 L24 I27 L59 I68 I74	M23-M63 HydrophobicContact CB-CE 4.08Å; M23-M63 HydrophobicContact CG-CE 4.03Å; L24-M63 HydrophobicContact CB-CB 4.47Å; L24-M63 HydrophobicContact CB-CE 4.09Å; L24-M63 HydrophobicContact CD1-CB 4.2Å; L24-M63 HydrophobicContact CD1-SD 4.48Å; I27-M63 HydrophobicContact CD1-CE 3.99Å; I27-M63 HydrophobicContact CD1-SD 3.66Å; L59-M63 WeakPolarHBondContact O-CG 3.33Å; L59-M63 PolarHBondContact O-N 2.98Å; M63-I68 HydrophobicContact CB-CD1 4.44Å; M63-I68 HydrophobicContact CG-CD1 3.32Å; M63-I68 HydrophobicContact CG-CG1 3.98Å; M63-I68 HydrophobicContact SD-CD1 4.45Å; M63-I74 HydrophobicContact CE-CD1 3.69Å; M63-I74 HydrophobicContact CG-CD1 4.28Å; M63-I74 HydrophobicContact SD-CD1 3.51Å; M63-I74 VanDerWaalsContact SD-CD1 3.51Å
64	L	68.4	Low	69.5	Low	25 Å²	25	46.8 Å²	46.8	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-73.7	-40.2	173.8	-87.8	169.6	0	0	0	112.8	F3 L24 M60 Y61 E62 V159 F160 F163	F3-L64 HydrophobicContact CE1-CB 4.27Å; F3-L64 HydrophobicContact CE1-CD1 4.42Å; F3-L64 HydrophobicContact CE1-CD2 4.34Å; F3-L64 VanDerWaalsContact CE2-O 3.29Å; F3-L64 WeakPolarHBondContact CE2-O 3.01Å; F3-L64 HydrophobicContact CZ-CB 3.75Å; F3-L64 HydrophobicContact CZ-CD2 3.96Å; F3-L64 HydrophobicContact CZ-CG 4.32Å; F3-L64 WeakPolarHBondContact CZ-O 3.37Å; L24-L64 HydrophobicContact CD2-CB 4.47Å; L24-L64 HydrophobicContact CD2-CD2 3.55Å; L24-L64 HydrophobicContact CD2-CG 3.49Å; L24-L64 VanDerWaalsContact CD2-CG 3.49Å; M60-L64 WeakPolarHBondContact O-CB 3.42Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.47Å; Y61-L64 WeakPolarHBondContact O-CB 3.44Å; Y61-L64 PolarHBondContact O-N 2.86Å; E62-L64 PolarHBondContact O-N 3.13Å; L64-V159 HydrophobicContact CD1-CG1 4.01Å; L64-F160 HydrophobicContact CD1-CD1 3.51Å; L64-F160 HydrophobicContact CD1-CE1 3.15Å; L64-F160 HydrophobicContact CD1-CG 4.39Å; L64-F160 HydrophobicContact CD1-CZ 3.8Å; L64-F160 HydrophobicContact CG-CE1 4.18Å; L64-F163 HydrophobicContact CD2-CB 3.89Å; L64-F163 HydrophobicContact CD2-CD1 4.36Å; L64-F163 HydrophobicContact CD2-CD2 3.64Å; L64-F163 HydrophobicContact CD2-CE2 4.31Å; L64-F163 HydrophobicContact CD2-CG 3.68Å
65	K	64.4	Low	69.5	Low	122 Å²	122	43.5 Å²	43.5	53%	0.53	22%	0.219	S	C	.	.	H	α-helix	trans	-91.1	-35.4	-170.4	-173.4	-170	165.5	-130.5	0	112.5	Y61 E62	Y61-K65 HydrophobicContact CE1-CD 3.98Å; Y61-K65 WeakPolarHBondContact O-CB 3.42Å; Y61-K65 PolarHBondContact O-N 3.19Å; E62-K65 PolarHBondContact O-N 3.28Å
66	E	55.3	Low	69.4	Low	105 Å²	105	46.2 Å²	46.2	49%	0.491	23%	0.229	S	C	.	.	S	Bend	trans	-134.3	128.2	-169.5	-66.3	175	-158.6	0	0	108.4	E62 I68	E62-E66 CarbonylContact O-C 3.59Å; E62-E66 WeakPolarHBondContact O-CA 3.34Å; E62-E66 PolarHBondContact O-N 2.86Å; E66-I68 PolarHBondContact O-N 3.34Å
67	N	56.1	Low	68.3	Low	58 Å²	58	56.6 Å²	56.6	31%	0.31	27%	0.268	S	S	.	.			trans	-67.9	102.2	172.3	-104.4	8.8	0	0	0	107.9	N20 G69 Y219 S222 Q226	N20-N67 WeakPolarHBondContact ND2-CA 3.09Å; N20-N67 WeakPolarHBondContact ND2-CB 3.03Å; N20-N67 PolarHBondContact ND2-OD1 2.99Å; N67-G69 PolarHBondContact O-N 2.65Å; N67-Y219 PolarHBondContact ND2-O 3.33Å; N67-S222 PolarHBondContact ND2-OG 3.3Å; N67-S222 VanDerWaalsContact ND2-OG 3.14Å; N67-Q226 PolarHBondContact ND2-NE2 3.45Å; N67-Q226 PolarHBondContact ND2-OE1 2.92Å; N67-Q226 PolarHBondContact OD1-NE2 3.38Å
68	I	57.3	Low	67.2	Low	41 Å²	41	58.3 Å²	58.3	21%	0.21	28%	0.282	C	S	.	.			trans	-57.3	131.1	165.1	-55.5	-173.3	0	0	0	106.4	N20 L59 M63 E66 I74	N20-I68 PolarHBondContact ND2-O 3Å; L59-I68 HydrophobicContact CD1-CD1 3.64Å; M63-I68 HydrophobicContact CB-CD1 4.44Å; M63-I68 HydrophobicContact CG-CD1 3.32Å; M63-I68 HydrophobicContact CG-CG1 3.98Å; M63-I68 HydrophobicContact SD-CD1 4.45Å; E66-I68 PolarHBondContact O-N 3.34Å; I68-I74 HydrophobicContact CD1-CD1 4.16Å
69	G	61.6	Low	66	Low	51 Å²	51	55.7 Å²	55.7	53%	0.526	27%	0.273	S	S	.	.	S	Bend	trans	-39.3	-86.4	-169.8	0	0	0	0	0	114	N67	N67-G69 PolarHBondContact O-N 2.65Å
70	N	66.3	Low	64.5	Low	19 Å²	19	64.5 Å²	64.5	10%	0.102	31%	0.314	C	S	.	.	S	Bend	trans	-94.3	120.9	170	-174.4	-18.9	0	0	0	109	F72 D73 E193	N70-F72 PolarHBondContact O-N 2.94Å; N70-F72 WeakPolarHBondContact OD1-CB 3.41Å; N70-F72 WeakPolarHBondContact OD1-CD2 3.2Å; N70-F72 PolarHBondContact OD1-N 3.36Å; N70-D73 WeakPolarHBondContact O-CB 3.15Å; N70-D73 PolarHBondContact O-N 2.96Å; N70-E193 PolarHBondContact ND2-OE1 3.47Å; N70-E193 PolarHBondContact ND2-OE2 3.31Å
71	P	70.3	Confident	63.2	Low	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-53.4	-28.9	178.9	7.9	-18.9	0	0	0	113.5	H19 N20 M23 I74	H19-P71 HydrophobicContact CB-CG 3.92Å; N20-P71 WeakPolarHBondContact OD1-CA 3.47Å; N20-P71 WeakPolarHBondContact OD1-CB 3.36Å; N20-P71 VanDerWaalsContact OD1-CD 3.23Å; N20-P71 WeakPolarHBondContact OD1-CD 3.44Å; N20-P71 WeakPolarHBondContact OD1-CG 3.45Å; M23-P71 HydrophobicContact CB-CB 3.98Å; M23-P71 HydrophobicContact CG-CB 4.12Å; P71-I74 WeakPolarHBondContact O-CG1 3.37Å
72	F	76.1	Confident	62.2	Low	6 Å²	6	69 Å²	69	3%	0.026	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-83.4	-12	-174.6	-51.1	-59.9	0	0	0	113.2	N70 I74 L75 F186 A189 Y190 E193	N70-F72 PolarHBondContact O-N 2.94Å; N70-F72 WeakPolarHBondContact OD1-CB 3.41Å; N70-F72 WeakPolarHBondContact OD1-CD2 3.2Å; N70-F72 PolarHBondContact OD1-N 3.36Å; F72-I74 PolarHBondContact O-N 2.97Å; F72-I74 VanDerWaalsContact O-N 3.14Å; F72-L75 WeakPolarHBondContact O-CB 3.4Å; F72-L75 PolarHBondContact O-N 2.86Å; F72-F186 HydrophobicContact CE1-CD2 4.4Å; F72-F186 HydrophobicContact CE1-CE1 4.23Å; F72-F186 AromaticContact CE1-CE2 3.67Å; F72-F186 HydrophobicContact CE1-CE2 3.67Å; F72-F186 AromaticContact CE1-CZ 3.58Å; F72-F186 HydrophobicContact CE1-CZ 3.58Å; F72-F186 AromaticContact CZ-CD2 3.93Å; F72-F186 HydrophobicContact CZ-CD2 3.93Å; F72-F186 HydrophobicContact CZ-CE1 4.47Å; F72-F186 AromaticContact CZ-CE2 3.63Å; F72-F186 HydrophobicContact CZ-CE2 3.63Å; F72-F186 HydrophobicContact CZ-CG 4.49Å; F72-F186 AromaticContact CZ-CZ 3.95Å; F72-F186 HydrophobicContact CZ-CZ 3.95Å; F72-A189 HydrophobicContact CE2-CB 3.73Å; F72-A189 HydrophobicContact CZ-CB 4.36Å; F72-Y190 AromaticContact CD1-CD2 3.67Å; F72-Y190 HydrophobicContact CD1-CD2 3.67Å; F72-Y190 AromaticContact CE1-CD2 3.83Å; F72-Y190 HydrophobicContact CE1-CD2 3.83Å; F72-Y190 HydrophobicContact CE1-CG 4.33Å; F72-Y190 HydrophobicContact CG-CD2 4.3Å; F72-E193 HydrophobicContact CB-CB 4.36Å; F72-E193 HydrophobicContact CB-CG 4.1Å; F72-E193 HydrophobicContact CD2-CB 4.45Å
73	D	71.1	Confident	61.8	Low	55 Å²	55	71.9 Å²	71.9	29%	0.294	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-56	-32.5	175.6	-79.2	-27	0	0	0	111.7	N70 L75 K76	N70-D73 WeakPolarHBondContact O-CB 3.15Å; N70-D73 PolarHBondContact O-N 2.96Å; D73-L75 PolarHBondContact O-N 2.89Å; D73-L75 VanDerWaalsContact O-N 3.16Å; D73-K76 WeakPolarHBondContact O-CB 3.39Å; D73-K76 PolarHBondContact O-N 3.07Å; D73-K76 VanDerWaalsContact OD1-CE 3.26Å; D73-K76 WeakPolarHBondContact OD1-CE 3.23Å; D73-K76 IonicContact OD1-NZ 2.88Å; D73-K76 PolarHBondContact OD1-NZ 3.17Å
74	I	72.7	Confident	61.7	Low	1 Å²	1	71.9 Å²	71.9	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.7	179.5	-52.1	176.8	0	0	0	112.2	L59 M63 I68 P71 F72 V82 I84	L59-I74 HydrophobicContact CD2-CG2 4.1Å; M63-I74 HydrophobicContact CE-CD1 3.69Å; M63-I74 HydrophobicContact CG-CD1 4.28Å; M63-I74 HydrophobicContact SD-CD1 3.51Å; M63-I74 VanDerWaalsContact SD-CD1 3.51Å; I68-I74 HydrophobicContact CD1-CD1 4.16Å; P71-I74 WeakPolarHBondContact O-CG1 3.37Å; F72-I74 PolarHBondContact O-N 2.97Å; F72-I74 VanDerWaalsContact O-N 3.14Å; I74-V82 HydrophobicContact CB-CG1 4.15Å; I74-V82 HydrophobicContact CG1-CG1 4.15Å; I74-V82 HydrophobicContact CG2-CG1 3.72Å; I74-I84 HydrophobicContact CG2-CD1 3.19Å; I74-I84 HydrophobicContact CG2-CG1 3.49Å; I74-I84 VanDerWaalsContact CG2-CG1 3.49Å
75	L	71	Confident	61.8	Low	36 Å²	36	71.7 Å²	71.7	19%	0.188	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-89.1	-9	179.7	-62.2	176.7	0	0	0	113.5	M23 F72 D73 I92 I96 Y190	M23-L75 HydrophobicContact CE-CD1 3.74Å; M23-L75 HydrophobicContact CE-CD2 3.87Å; M23-L75 HydrophobicContact CE-CG 3.73Å; F72-L75 WeakPolarHBondContact O-CB 3.4Å; F72-L75 PolarHBondContact O-N 2.86Å; D73-L75 PolarHBondContact O-N 2.89Å; D73-L75 VanDerWaalsContact O-N 3.16Å; L75-I92 HydrophobicContact CD2-CB 4.36Å; L75-I92 HydrophobicContact CD2-CG2 3.93Å; L75-I96 HydrophobicContact CD1-CD1 3.95Å; L75-Y190 HydrophobicContact CD1-CE2 3.89Å
76	K	69.1	Low	62	Low	78 Å²	78	70 Å²	70	34%	0.339	36%	0.363	S	S	.	.			trans	-67.1	144.6	-178.9	-67.2	178.6	177.3	169.2	0	110.8	D73 D78 K89 E193	D73-K76 WeakPolarHBondContact O-CB 3.39Å; D73-K76 PolarHBondContact O-N 3.07Å; D73-K76 VanDerWaalsContact OD1-CE 3.26Å; D73-K76 WeakPolarHBondContact OD1-CE 3.23Å; D73-K76 IonicContact OD1-NZ 2.88Å; D73-K76 PolarHBondContact OD1-NZ 3.17Å; K76-D78 VanDerWaalsContact C-N 3.3Å; K76-K89 PolarHBondContact O-NZ 2.81Å; K76-E193 WeakPolarHBondContact CE-OE1 3.26Å; K76-E193 IonicContact NZ-OE1 3.84Å; K76-E193 PolarHBondContact NZ-OE1 3.05Å
77	R	52.9	Low	63	Low	219 Å²	219	68.2 Å²	68.2	83%	0.826	35%	0.352	S	S	*	.	S	Bend	trans	-73.9	-19.9	179.4	-82.8	-175.2	-178.1	169.6	0.6	113.1
78	D	52.5	Low	64	Low	114 Å²	114	65.5 Å²	65.5	61%	0.61	34%	0.337	S	S	*	.	S	Bend	trans	-114.3	4	-165.7	-56.9	-45.1	0	0	0	114.4	K76 Q80 R197	K76-D78 VanDerWaalsContact C-N 3.3Å; D78-Q80 PolarHBondContact O-N 3.19Å; D78-Q80 VanDerWaalsContact O-N 3.12Å; D78-R197 IonicContact OD2-CZ 2.75Å; D78-R197 IonicContact OD2-NH1 3.99Å; D78-R197 IonicContact OD2-NH2 2.65Å; D78-R197 PolarHBondContact OD2-NH2 3.35Å
79	S	48.5	Very low	65.1	Low	39 Å²	39	66 Å²	66	27%	0.273	34%	0.338	S	S	.	.			trans	-77.7	98.4	175.2	59	0	0	0	0	109.6	D81	S79-D81 PolarHBondContact O-N 2.91Å
80	Q	45.9	Very low	65.9	Low	197 Å²	197	67.7 Å²	67.7	92%	0.921	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.6	175.2	-74.5	-163.6	-16.8	0	0	113.6	D78	D78-Q80 PolarHBondContact O-N 3.19Å; D78-Q80 VanDerWaalsContact O-N 3.12Å
81	D	49.7	Very low	66.6	Low	152 Å²	152	70.4 Å²	70.4	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-0.3	-171.5	-73.4	-37.8	0	0	0	116.6	S79	S79-D81 PolarHBondContact O-N 2.91Å
82	V	53.6	Low	67.3	Low	39 Å²	39	70.4 Å²	70.4	24%	0.236	35%	0.353	C	S	.	.			trans	-126.1	107.7	-169.5	-166.7	0	0	0	0	114	L59 I74 I84	L59-V82 HydrophobicContact CD1-CG1 3.98Å; L59-V82 HydrophobicContact CD2-CG1 4.12Å; I74-V82 HydrophobicContact CB-CG1 4.15Å; I74-V82 HydrophobicContact CG1-CG1 4.15Å; I74-V82 HydrophobicContact CG2-CG1 3.72Å; V82-I84 PolarHBondContact O-N 3.42Å
83	R	63.6	Low	67.6	Low	144 Å²	144	75.4 Å²	75.4	54%	0.543	37%	0.372	S	S	.	.			trans	-92.2	60.9	-168.2	-49.9	-161.2	-151.8	141.1	-1.3	114.4	T55	T55-R83 HydrophobicContact CG2-CB 3.59Å; T55-R83 VanDerWaalsContact CG2-CD 3.44Å; T55-R83 HydrophobicContact CG2-CG 3.67Å; T55-R83 PolarHBondContact OG1-NH1 3.5Å
84	I	69.2	Low	68.2	Low	9 Å²	9	74 Å²	74	5%	0.046	37%	0.371	C	S	.	.			trans	-78.6	129.8	158.6	-68.7	-161.5	0	0	0	108.7	I27 L56 L59 I74 V82 A86 L88 K89 I92	I27-I84 HydrophobicContact CD1-CD1 3.98Å; I27-I84 HydrophobicContact CG1-CD1 4.14Å; I27-I84 HydrophobicContact CG2-CD1 4.46Å; L56-I84 HydrophobicContact CD1-CG1 4.32Å; L59-I84 HydrophobicContact CD2-CD1 4.24Å; L59-I84 HydrophobicContact CD2-CG1 3.56Å; I74-I84 HydrophobicContact CG2-CD1 3.19Å; I74-I84 HydrophobicContact CG2-CG1 3.49Å; I74-I84 VanDerWaalsContact CG2-CG1 3.49Å; V82-I84 PolarHBondContact O-N 3.42Å; I84-A86 PolarHBondContact O-N 3.23Å; I84-L88 HydrophobicContact CG2-CB 3.82Å; I84-L88 HydrophobicContact CG2-CD2 4.06Å; I84-L88 HydrophobicContact CG2-CG 4.26Å; I84-K89 HydrophobicContact CB-CG 4.14Å; I84-K89 HydrophobicContact CG2-CG 3.71Å; I84-I92 HydrophobicContact CD1-CD1 3.87Å; I84-I92 HydrophobicContact CG2-CD1 4.26Å
85	P	71.2	Confident	68.9	Low	20 Å²	20	76.2 Å²	76.2	13%	0.13	38%	0.379	C	S	.	.			trans	-52.4	138.3	175	-27	34.4	0	0	0	112.5	L56 Y87 L88 K89	L56-P85 HydrophobicContact CD2-CG 4.38Å; P85-Y87 HydrophobicContact CB-CD1 3.55Å; P85-Y87 HydrophobicContact CB-CE1 3.21Å; P85-Y87 HydrophobicContact CB-CG 4.46Å; P85-Y87 HydrophobicContact CG-CE1 3.97Å; P85-Y87 PolarHBondContact O-N 2.98Å; P85-Y87 VanDerWaalsContact O-N 3.08Å; P85-L88 PolarHBondContact O-N 3.47Å; P85-K89 PolarHBondContact O-N 2.9Å
86	A	69.3	Low	69.5	Low	88 Å²	88	74.5 Å²	74.5	73%	0.727	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-31	-173.4	0	0	0	0	0	113.7	I84 L88 P90	I84-A86 PolarHBondContact O-N 3.23Å; A86-L88 VanDerWaalsContact C-N 3.35Å; A86-P90 WeakPolarHBondContact O-CD 3.49Å
87	Y	74.9	Confident	70.2	Confident	67 Å²	67	75.3 Å²	75.3	26%	0.263	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.9	176.9	72.8	-95.7	0	0	0	113.4	Y31 P85 L91	Y31-Y87 WeakPolarHBondContact CE2-OH 3.36Å; P85-Y87 HydrophobicContact CB-CD1 3.55Å; P85-Y87 HydrophobicContact CB-CE1 3.21Å; P85-Y87 HydrophobicContact CB-CG 4.46Å; P85-Y87 HydrophobicContact CG-CE1 3.97Å; P85-Y87 PolarHBondContact O-N 2.98Å; P85-Y87 VanDerWaalsContact O-N 3.08Å; Y87-L91 HydrophobicContact CD2-CD1 4.41Å
88	L	77.6	Confident	71.7	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-84.6	-28.6	-174.3	-166.6	68	0	0	0	111.8	I27 E30 Y31 L56 I84 P85 A86 L91 I92	I27-L88 HydrophobicContact CG2-CD2 4.35Å; E30-L88 HydrophobicContact CB-CD1 4.01Å; Y31-L88 HydrophobicContact CD2-CD2 4.38Å; L56-L88 HydrophobicContact CD1-CD2 4.47Å; L56-L88 HydrophobicContact CD2-CD2 4.28Å; I84-L88 HydrophobicContact CG2-CB 3.82Å; I84-L88 HydrophobicContact CG2-CD2 4.06Å; I84-L88 HydrophobicContact CG2-CG 4.26Å; P85-L88 PolarHBondContact O-N 3.47Å; A86-L88 VanDerWaalsContact C-N 3.35Å; L88-L91 HydrophobicContact CD1-CD1 4.26Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 3.47Å; L88-I92 HydrophobicContact CD2-CD1 4.04Å; L88-I92 HydrophobicContact CG-CD1 3.72Å; L88-I92 HydrophobicContact CG-CG1 4.14Å; L88-I92 WeakPolarHBondContact O-CD1 3.49Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.01Å
89	K	79.1	Confident	73.3	Confident	53 Å²	53	66.5 Å²	66.5	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-48.5	179.4	-67.8	-171.8	176.9	-169.9	0	113.3	K76 I84 P85 L91 I92 R93	K76-K89 PolarHBondContact O-NZ 2.81Å; I84-K89 HydrophobicContact CB-CG 4.14Å; I84-K89 HydrophobicContact CG2-CG 3.71Å; P85-K89 PolarHBondContact O-N 2.9Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.4Å; K89-I92 PolarHBondContact O-N 2.92Å; K89-R93 WeakPolarHBondContact O-CB 3.48Å; K89-R93 PolarHBondContact O-N 3.25Å
90	P	79	Confident	75	Confident	85 Å²	85	69.1 Å²	69.1	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-36.5	175.9	-21.2	32.5	0	0	0	113.1	A86 R93 G94	A86-P90 WeakPolarHBondContact O-CD 3.49Å; P90-R93 PolarHBondContact O-N 3.38Å; P90-G94 PolarHBondContact O-N 2.72Å
91	L	82.1	Confident	76.9	Confident	76 Å²	76	63.8 Å²	63.8	40%	0.398	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-47.8	178.2	-67	173.8	0	0	0	111.2	Y87 L88 K89 R93 G94 R95	Y87-L91 HydrophobicContact CD2-CD1 4.41Å; L88-L91 HydrophobicContact CD1-CD1 4.26Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 3.47Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.4Å; L91-R93 PolarHBondContact O-N 2.73Å; L91-G94 PolarHBondContact O-N 3.39Å; L91-R95 WeakPolarHBondContact O-CB 3.44Å; L91-R95 PolarHBondContact O-N 3.32Å
92	I	84.2	Confident	78.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-46.6	176.5	-66.2	159.6	0	0	0	110.5	M23 I26 I27 E30 L75 I84 L88 K89 R95 I96	M23-I92 HydrophobicContact CE-CG2 3.64Å; M23-I92 HydrophobicContact SD-CG2 4.4Å; I26-I92 HydrophobicContact CG2-CG2 3.96Å; I27-I92 HydrophobicContact CB-CD1 4.44Å; I27-I92 HydrophobicContact CG1-CD1 3.75Å; I27-I92 HydrophobicContact CG1-CG1 4.39Å; E30-I92 HydrophobicContact CB-CG1 4.45Å; L75-I92 HydrophobicContact CD2-CB 4.36Å; L75-I92 HydrophobicContact CD2-CG2 3.93Å; I84-I92 HydrophobicContact CD1-CD1 3.87Å; I84-I92 HydrophobicContact CG2-CD1 4.26Å; L88-I92 HydrophobicContact CD2-CD1 4.04Å; L88-I92 HydrophobicContact CG-CD1 3.72Å; L88-I92 HydrophobicContact CG-CG1 4.14Å; L88-I92 WeakPolarHBondContact O-CD1 3.49Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.01Å; K89-I92 PolarHBondContact O-N 2.92Å; I92-R95 PolarHBondContact O-N 2.94Å; I92-I96 HydrophobicContact CG2-CD1 3.85Å; I92-I96 HydrophobicContact CG2-CG1 4.45Å; I92-I96 WeakPolarHBondContact O-CG1 3.3Å; I92-I96 PolarHBondContact O-N 3.02Å
93	R	83	Confident	79.8	Confident	112 Å²	112	67.1 Å²	67.1	42%	0.423	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-50.3	179.4	-174.4	175.2	179.4	155.2	4	112.1	K89 P90 L91 R95 I96 E97 Y190	K89-R93 WeakPolarHBondContact O-CB 3.48Å; K89-R93 PolarHBondContact O-N 3.25Å; P90-R93 PolarHBondContact O-N 3.38Å; L91-R93 PolarHBondContact O-N 2.73Å; R93-R95 PolarHBondContact O-N 3.34Å; R93-I96 PolarHBondContact O-N 3.5Å; R93-E97 IonicContact NE-OE1 3.96Å; R93-E97 PolarHBondContact NE-OE1 3Å; R93-E97 WeakPolarHBondContact O-CG 3.45Å; R93-E97 PolarHBondContact O-N 3.26Å; R93-Y190 WeakPolarHBondContact CG-OH 3.24Å
94	G	82.7	Confident	80.7	Confident	25 Å²	25	63.4 Å²	63.4	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-31.8	177.3	0	0	0	0	0	112.2	P90 L91 R98	P90-G94 PolarHBondContact O-N 2.72Å; L91-G94 PolarHBondContact O-N 3.39Å; G94-R98 WeakPolarHBondContact O-CG 3.43Å; G94-R98 PolarHBondContact O-N 3.47Å; G94-R98 VanDerWaalsContact O-N 3.16Å
95	R	86.9	Confident	81.2	Confident	47 Å²	47	63 Å²	63	18%	0.177	30%	0.3	C	S	.	.	H	α-helix	trans	-68.2	-48.3	173.7	-175.1	60	65.5	-172.8	3.4	112	I26 E30 L91 I92 R93 E97 R98 L99 E104 Y108	I26-R95 HydrophobicContact CG2-CB 4.34Å; I26-R95 HydrophobicContact CG2-CG 4.19Å; E30-R95 HydrophobicContact CG-CB 4.3Å; E30-R95 HydrophobicContact CG-CG 4.46Å; E30-R95 IonicContact OE1-CZ 3.36Å; E30-R95 VanDerWaalsContact OE1-CZ 3.26Å; E30-R95 IonicContact OE1-NE 3.69Å; E30-R95 PolarHBondContact OE1-NE 3.32Å; E30-R95 IonicContact OE1-NH2 3.07Å; E30-R95 PolarHBondContact OE1-NH2 3.32Å; E30-R95 IonicContact OE2-NH2 2.94Å; L91-R95 WeakPolarHBondContact O-CB 3.44Å; L91-R95 PolarHBondContact O-N 3.32Å; I92-R95 PolarHBondContact O-N 2.94Å; R93-R95 PolarHBondContact O-N 3.34Å; R95-E97 PolarHBondContact O-N 2.93Å; R95-R98 PolarHBondContact O-N 3.47Å; R95-R98 VanDerWaalsContact O-N 3.09Å; R95-L99 HydrophobicContact CG-CD1 3.77Å; R95-L99 HydrophobicContact CG-CG 4.08Å; R95-L99 VanDerWaalsContact O-CG 3.24Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.87Å; R95-E104 IonicContact NH1-OE1 2.73Å; R95-Y108 HydrophobicContact CG-CE2 3.91Å
96	I	85	Confident	81.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.6	-43	177.3	-67.9	165.7	0	0	0	110.2	M23 I26 L75 I92 R93 R98 L99 F186 F187 Y190	M23-I96 HydrophobicContact CE-CD1 4.31Å; M23-I96 HydrophobicContact SD-CD1 4.03Å; I26-I96 HydrophobicContact CD1-CG1 3.97Å; L75-I96 HydrophobicContact CD1-CD1 3.95Å; I92-I96 HydrophobicContact CG2-CD1 3.85Å; I92-I96 HydrophobicContact CG2-CG1 4.45Å; I92-I96 WeakPolarHBondContact O-CG1 3.3Å; I92-I96 PolarHBondContact O-N 3.02Å; R93-I96 PolarHBondContact O-N 3.5Å; I96-R98 PolarHBondContact O-N 3.46Å; I96-L99 PolarHBondContact O-N 3.15Å; I96-F186 HydrophobicContact CG2-CE1 4.35Å; I96-F187 HydrophobicContact CG2-CD1 4.34Å; I96-F187 HydrophobicContact CG2-CE1 4.06Å; I96-F187 WeakPolarHBondContact O-CE1 3.44Å; I96-Y190 HydrophobicContact CD1-CD2 4.42Å; I96-Y190 HydrophobicContact CD1-CE2 3.99Å; I96-Y190 HydrophobicContact CG2-CD1 3.88Å; I96-Y190 HydrophobicContact CG2-CD2 4.16Å; I96-Y190 HydrophobicContact CG2-CE1 3.71Å; I96-Y190 HydrophobicContact CG2-CE2 4.01Å; I96-Y190 HydrophobicContact CG2-CG 4.08Å
97	E	83.5	Confident	82.2	Confident	96 Å²	96	63 Å²	63	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-38.5	177.5	-72	171.6	-169.4	0	0	113	R93 R95 R100	R93-E97 IonicContact NE-OE1 3.96Å; R93-E97 PolarHBondContact NE-OE1 3Å; R93-E97 WeakPolarHBondContact O-CG 3.45Å; R93-E97 PolarHBondContact O-N 3.26Å; R95-E97 PolarHBondContact O-N 2.93Å; E97-R100 WeakPolarHBondContact O-CB 3.31Å; E97-R100 WeakPolarHBondContact O-CG 3.23Å
98	R	84.2	Confident	82.5	Confident	148 Å²	148	60.4 Å²	60.4	56%	0.558	29%	0.286	S	S	*	.	H	α-helix	trans	-70.4	-38.1	174.6	-72.4	-177.7	-165.9	167.1	4.8	113.3	G94 R95 I96 R100 N101	G94-R98 WeakPolarHBondContact O-CG 3.43Å; G94-R98 PolarHBondContact O-N 3.47Å; G94-R98 VanDerWaalsContact O-N 3.16Å; R95-R98 PolarHBondContact O-N 3.47Å; R95-R98 VanDerWaalsContact O-N 3.09Å; I96-R98 PolarHBondContact O-N 3.46Å; R98-R100 PolarHBondContact O-N 3.28Å; R98-N101 PolarHBondContact O-N 2.96Å
99	L	86.8	Confident	82.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.3	179.8	-66.5	172	0	0	0	113.2	F22 I26 R95 I96 N101 A105 Y108 F187	F22-L99 HydrophobicContact CZ-CD1 3.97Å; I26-L99 HydrophobicContact CD1-CD1 3.81Å; I26-L99 HydrophobicContact CG1-CD1 4.02Å; R95-L99 HydrophobicContact CG-CD1 3.77Å; R95-L99 HydrophobicContact CG-CG 4.08Å; R95-L99 VanDerWaalsContact O-CG 3.24Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.87Å; I96-L99 PolarHBondContact O-N 3.15Å; L99-N101 PolarHBondContact O-N 2.99Å; L99-A105 HydrophobicContact CB-CB 4.39Å; L99-A105 HydrophobicContact CD2-CB 4.18Å; L99-A105 WeakPolarHBondContact O-CB 3.44Å; L99-Y108 HydrophobicContact CD1-CD1 4.19Å; L99-Y108 HydrophobicContact CD1-CE1 4.2Å; L99-Y108 HydrophobicContact CD2-CD1 3.77Å; L99-Y108 HydrophobicContact CD2-CD2 3.95Å; L99-Y108 HydrophobicContact CD2-CE1 4.47Å; L99-Y108 HydrophobicContact CD2-CG 3.47Å; L99-Y108 VanDerWaalsContact CD2-CG 3.47Å; L99-F187 HydrophobicContact CB-CE1 4.47Å; L99-F187 HydrophobicContact CB-CZ 3.98Å; L99-F187 VanDerWaalsContact O-CZ 3.23Å; L99-F187 WeakPolarHBondContact O-CZ 3.37Å
100	R	84.6	Confident	82.4	Confident	94 Å²	94	61.1 Å²	61.1	36%	0.355	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.3	167.8	-67.2	-173.3	-177.1	-97	1.3	113	E97 R98 Y102 F187 D191	E97-R100 WeakPolarHBondContact O-CB 3.31Å; E97-R100 WeakPolarHBondContact O-CG 3.23Å; R98-R100 PolarHBondContact O-N 3.28Å; R100-Y102 PolarHBondContact O-N 3.39Å; R100-F187 HydrophobicContact CG-CD1 4.02Å; R100-F187 HydrophobicContact CG-CE1 3.98Å; R100-F187 HydrophobicContact CG-CE2 4.5Å; R100-F187 HydrophobicContact CG-CG 4.34Å; R100-F187 HydrophobicContact CG-CZ 4.25Å; R100-D191 IonicContact CZ-OD1 2.76Å; R100-D191 IonicContact CZ-OD2 2.69Å; R100-D191 IonicContact NH1-OD1 3.21Å; R100-D191 IonicContact NH1-OD2 3.26Å; R100-D191 PolarHBondContact NH1-OD2 2.92Å; R100-D191 IonicContact NH2-OD1 2.87Å; R100-D191 PolarHBondContact NH2-OD1 3.49Å; R100-D191 IonicContact NH2-OD2 3.68Å; R100-D191 PolarHBondContact NH2-OD2 3.42Å
101	N	85.8	Confident	81.9	Confident	85 Å²	85	60.5 Å²	60.5	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-76	106.8	167.8	-176.2	-10	0	0	0	109.2	R98 L99 Y103 E104 A105	R98-N101 PolarHBondContact O-N 2.96Å; L99-N101 PolarHBondContact O-N 2.99Å; N101-Y103 PolarHBondContact O-N 3.22Å; N101-Y103 VanDerWaalsContact O-N 3.11Å; N101-Y103 PolarHBondContact OD1-N 3Å; N101-E104 HydrophobicContact CB-CB 4.05Å; N101-E104 WeakPolarHBondContact O-CA 3.28Å; N101-E104 WeakPolarHBondContact O-CB 3.45Å; N101-E104 PolarHBondContact O-N 3.45Å; N101-A105 PolarHBondContact O-N 3.06Å
102	Y	81.6	Confident	81.3	Confident	77 Å²	77	59.7 Å²	59.7	30%	0.302	29%	0.285	S	S	.	.	H	α-helix	trans	-53.9	-35.6	-177	-55.8	-66.9	0	0	0	113.4	R100 E104 A105 V106 I180 F183 D184	R100-Y102 PolarHBondContact O-N 3.39Å; Y102-E104 VanDerWaalsContact C-N 3.33Å; Y102-E104 PolarHBondContact O-N 3.09Å; Y102-A105 PolarHBondContact O-N 2.77Å; Y102-V106 VanDerWaalsContact O-CG2 3.3Å; Y102-V106 WeakPolarHBondContact O-CG2 3.44Å; Y102-V106 PolarHBondContact O-N 3.22Å; Y102-I180 HydrophobicContact CD1-CG1 4.48Å; Y102-I180 HydrophobicContact CE1-CG2 4.32Å; Y102-F183 HydrophobicContact CD1-CB 4.14Å; Y102-F183 AromaticContact CD1-CD2 3.98Å; Y102-F183 HydrophobicContact CD1-CD2 3.98Å; Y102-F183 HydrophobicContact CD1-CG 4.48Å; Y102-F183 HydrophobicContact CE1-CB 3.95Å; Y102-D184 PolarHBondContact OH-OD1 3.39Å
103	Y	80.9	Confident	80.4	Confident	184 Å²	184	62.1 Å²	62.1	72%	0.722	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-39.1	176.7	-65.9	-77.5	0	0	0	111.8	N101 A107	N101-Y103 PolarHBondContact O-N 3.22Å; N101-Y103 VanDerWaalsContact O-N 3.11Å; N101-Y103 PolarHBondContact OD1-N 3Å; Y103-A107 WeakPolarHBondContact O-CB 3.44Å; Y103-A107 PolarHBondContact O-N 3.46Å; Y103-A107 VanDerWaalsContact O-N 3.1Å
104	E	82.8	Confident	79.4	Confident	65 Å²	65	57 Å²	57	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-68.8	-39.9	174.1	-168.1	174.9	166.7	0	0	110.7	R95 N101 Y102 A107 Y108	R95-E104 IonicContact NH1-OE1 2.73Å; N101-E104 HydrophobicContact CB-CB 4.05Å; N101-E104 WeakPolarHBondContact O-CA 3.28Å; N101-E104 WeakPolarHBondContact O-CB 3.45Å; N101-E104 PolarHBondContact O-N 3.45Å; Y102-E104 VanDerWaalsContact C-N 3.33Å; Y102-E104 PolarHBondContact O-N 3.09Å; E104-A107 PolarHBondContact O-N 3.21Å; E104-Y108 WeakPolarHBondContact O-CB 3.3Å; E104-Y108 PolarHBondContact O-N 3.48Å
105	A	80.7	Confident	78.4	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-42.8	178.2	0	0	0	0	0	113.6	L99 N101 Y102 Y108 T109 F183	L99-A105 HydrophobicContact CB-CB 4.39Å; L99-A105 HydrophobicContact CD2-CB 4.18Å; L99-A105 WeakPolarHBondContact O-CB 3.44Å; N101-A105 PolarHBondContact O-N 3.06Å; Y102-A105 PolarHBondContact O-N 2.77Å; A105-Y108 PolarHBondContact O-N 3.14Å; A105-T109 WeakPolarHBondContact O-CG2 3.44Å; A105-T109 PolarHBondContact O-N 3.21Å; A105-T109 PolarHBondContact O-OG1 3.13Å; A105-F183 HydrophobicContact CB-CD2 4.24Å; A105-F183 HydrophobicContact CB-CE1 4.14Å; A105-F183 HydrophobicContact CB-CE2 3.57Å; A105-F183 HydrophobicContact CB-CZ 3.55Å
106	V	79.6	Confident	77	Confident	54 Å²	54	65.6 Å²	65.6	33%	0.327	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-44.8	175.2	174.6	0	0	0	0	110.7	Y102 Y108 T109 N110 L179	Y102-V106 VanDerWaalsContact O-CG2 3.3Å; Y102-V106 WeakPolarHBondContact O-CG2 3.44Å; Y102-V106 PolarHBondContact O-N 3.22Å; V106-Y108 VanDerWaalsContact C-N 3.31Å; V106-Y108 PolarHBondContact O-N 2.85Å; V106-T109 PolarHBondContact O-N 2.99Å; V106-T109 PolarHBondContact O-OG1 3.14Å; V106-N110 PolarHBondContact O-N 3.11Å; V106-L179 HydrophobicContact CG2-CD1 4.13Å; V106-L179 HydrophobicContact CG2-CD2 3.73Å
107	A	80.7	Confident	75.7	Confident	54 Å²	54	69.6 Å²	69.6	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-36.2	176.8	0	0	0	0	0	112.5	Y103 E104 T109 T113	Y103-A107 WeakPolarHBondContact O-CB 3.44Å; Y103-A107 PolarHBondContact O-N 3.46Å; Y103-A107 VanDerWaalsContact O-N 3.1Å; E104-A107 PolarHBondContact O-N 3.21Å; A107-T109 VanDerWaalsContact C-N 3.34Å; A107-T113 PolarHBondContact O-OG1 3.18Å; A107-T113 VanDerWaalsContact O-OG1 3.1Å
108	Y	82.2	Confident	74.5	Confident	14 Å²	14	66.4 Å²	66.4	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.2	-173.2	-91.5	0	0	0	110.8	F25 I26 R29 E30 R95 L99 E104 A105 V106 F114	F25-Y108 HydrophobicContact CD1-CD1 4.49Å; F25-Y108 HydrophobicContact CD1-CE1 4.03Å; F25-Y108 AromaticContact CE1-CD1 3.92Å; F25-Y108 HydrophobicContact CE1-CD1 3.92Å; F25-Y108 AromaticContact CE1-CE1 3.81Å; F25-Y108 HydrophobicContact CE1-CE1 3.81Å; I26-Y108 HydrophobicContact CG1-CE1 4.31Å; R29-Y108 VanDerWaalsContact CD-CZ 3.43Å; R29-Y108 WeakPolarHBondContact CD-OH 3.32Å; R29-Y108 VanDerWaalsContact NH1-CD1 3.35Å; R29-Y108 PolarHBondContact NH1-O 2.62Å; E30-Y108 PolarHBondContact OE1-OH 2.89Å; R95-Y108 HydrophobicContact CG-CE2 3.91Å; L99-Y108 HydrophobicContact CD1-CD1 4.19Å; L99-Y108 HydrophobicContact CD1-CE1 4.2Å; L99-Y108 HydrophobicContact CD2-CD1 3.77Å; L99-Y108 HydrophobicContact CD2-CD2 3.95Å; L99-Y108 HydrophobicContact CD2-CE1 4.47Å; L99-Y108 HydrophobicContact CD2-CG 3.47Å; L99-Y108 VanDerWaalsContact CD2-CG 3.47Å; E104-Y108 WeakPolarHBondContact O-CB 3.3Å; E104-Y108 PolarHBondContact O-N 3.48Å; A105-Y108 PolarHBondContact O-N 3.14Å; V106-Y108 VanDerWaalsContact C-N 3.31Å; V106-Y108 PolarHBondContact O-N 2.85Å; Y108-F114 WeakPolarHBondContact O-CE2 3.19Å; Y108-F114 WeakPolarHBondContact O-CZ 3.14Å
109	T	76.9	Confident	73.3	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-88.3	-9	-175.7	51	0	0	0	0	114.2	F22 F25 A105 V106 A107 L111 F167 S168 I171	F22-T109 HydrophobicContact CE2-CG2 3.93Å; F25-T109 HydrophobicContact CE1-CG2 3.82Å; F25-T109 HydrophobicContact CZ-CG2 4.24Å; A105-T109 WeakPolarHBondContact O-CG2 3.44Å; A105-T109 PolarHBondContact O-N 3.21Å; A105-T109 PolarHBondContact O-OG1 3.13Å; V106-T109 PolarHBondContact O-N 2.99Å; V106-T109 PolarHBondContact O-OG1 3.14Å; A107-T109 VanDerWaalsContact C-N 3.34Å; T109-L111 PolarHBondContact O-N 3.18Å; T109-F167 HydrophobicContact CG2-CE1 4.44Å; T109-S168 PolarHBondContact O-OG 2.98Å; T109-I171 HydrophobicContact CG2-CD1 3.45Å; T109-I171 VanDerWaalsContact CG2-CD1 3.45Å
110	N	78.2	Confident	71.5	Confident	64 Å²	64	64 Å²	64	34%	0.342	33%	0.329	S	S	.	.			trans	-66	127.4	-177.9	-171	-24.6	0	0	0	113.8	V106 S112 T113 F114	V106-N110 PolarHBondContact O-N 3.11Å; N110-S112 PolarHBondContact O-N 3.23Å; N110-S112 VanDerWaalsContact O-N 3.16Å; N110-S112 PolarHBondContact OD1-N 3.47Å; N110-S112 PolarHBondContact OD1-OG 3.46Å; N110-T113 WeakPolarHBondContact O-CB 3.33Å; N110-T113 PolarHBondContact O-N 2.96Å; N110-T113 PolarHBondContact O-OG1 2.99Å; N110-F114 WeakPolarHBondContact O-CD2 3.5Å; N110-F114 PolarHBondContact O-N 3.32Å
111	L	68.1	Low	69.5	Low	72 Å²	72	69.2 Å²	69.2	38%	0.377	35%	0.354	S	S	.	.	H	α-helix	trans	-52	-35	179.1	-170.1	69.4	0	0	0	114.1	T109 T113 F114 K115	T109-L111 PolarHBondContact O-N 3.18Å; L111-T113 VanDerWaalsContact C-N 3.26Å; L111-T113 PolarHBondContact O-N 3.46Å; L111-F114 PolarHBondContact O-N 2.89Å; L111-F114 VanDerWaalsContact O-N 3.15Å; L111-K115 PolarHBondContact O-N 3.23Å
112	S	68.6	Low	67.2	Low	60 Å²	60	70.6 Å²	70.6	42%	0.42	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-36.5	178.7	58.4	0	0	0	0	112	N110 F114 K115 N116	N110-S112 PolarHBondContact O-N 3.23Å; N110-S112 VanDerWaalsContact O-N 3.16Å; N110-S112 PolarHBondContact OD1-N 3.47Å; N110-S112 PolarHBondContact OD1-OG 3.46Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 3.26Å; S112-K115 PolarHBondContact O-N 2.77Å; S112-N116 PolarHBondContact O-N 3.22Å
113	T	65.2	Low	64.8	Low	50 Å²	50	71.9 Å²	71.9	31%	0.307	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-32.3	177.7	-36.7	0	0	0	0	110.9	R29 A107 N110 L111 L117	R29-T113 VanDerWaalsContact NH2-CG2 3.27Å; A107-T113 PolarHBondContact O-OG1 3.18Å; A107-T113 VanDerWaalsContact O-OG1 3.1Å; N110-T113 WeakPolarHBondContact O-CB 3.33Å; N110-T113 PolarHBondContact O-N 2.96Å; N110-T113 PolarHBondContact O-OG1 2.99Å; L111-T113 VanDerWaalsContact C-N 3.26Å; L111-T113 PolarHBondContact O-N 3.46Å; T113-L117 VanDerWaalsContact O-CB 3.29Å; T113-L117 WeakPolarHBondContact O-CB 3.49Å; T113-L117 PolarHBondContact O-N 2.89Å
114	F	62.1	Low	62.3	Low	4 Å²	4	70.8 Å²	70.8	2%	0.018	40%	0.397	C	S	.	.	H	α-helix	trans	-74.2	-42.8	174.7	-69.4	-81.2	0	0	0	113	F25 R29 Y108 N110 L111 S112 N116 L117 V118 L164	F25-F114 HydrophobicContact CE1-CE1 4.25Å; F25-F114 HydrophobicContact CE1-CE2 4.21Å; F25-F114 AromaticContact CE1-CZ 3.5Å; F25-F114 HydrophobicContact CE1-CZ 3.5Å; F25-F114 AromaticContact CE2-CE1 3.91Å; F25-F114 HydrophobicContact CE2-CE1 3.91Å; F25-F114 HydrophobicContact CE2-CE2 4.07Å; F25-F114 AromaticContact CE2-CZ 3.62Å; F25-F114 HydrophobicContact CE2-CZ 3.62Å; F25-F114 HydrophobicContact CZ-CD2 4.39Å; F25-F114 AromaticContact CZ-CE1 3.63Å; F25-F114 HydrophobicContact CZ-CE1 3.63Å; F25-F114 AromaticContact CZ-CE2 3.36Å; F25-F114 HydrophobicContact CZ-CE2 3.36Å; F25-F114 AromaticContact CZ-CZ 2.91Å; F25-F114 HydrophobicContact CZ-CZ 2.91Å; R29-F114 HydrophobicContact CB-CE1 4.48Å; R29-F114 HydrophobicContact CG-CE1 3.96Å; Y108-F114 WeakPolarHBondContact O-CE2 3.19Å; Y108-F114 WeakPolarHBondContact O-CZ 3.14Å; N110-F114 WeakPolarHBondContact O-CD2 3.5Å; N110-F114 PolarHBondContact O-N 3.32Å; L111-F114 PolarHBondContact O-N 2.89Å; L111-F114 VanDerWaalsContact O-N 3.15Å; S112-F114 VanDerWaalsContact C-N 3.31Å; S112-F114 PolarHBondContact O-N 3.26Å; F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 3.1Å; F114-L117 PolarHBondContact O-N 3.38Å; F114-V118 HydrophobicContact CD1-CG2 4.43Å; F114-V118 WeakPolarHBondContact O-CB 3.41Å; F114-V118 PolarHBondContact O-N 3.38Å; F114-L164 HydrophobicContact CE1-CD2 4.44Å
115	K	62.2	Low	59.9	Low	132 Å²	132	74.3 Å²	74.3	57%	0.574	42%	0.423	S	S	*	.	I	π-helix	trans	-58.7	-41.3	-178.9	-163.5	179.4	178.9	-174.3	0	111.3	L111 S112 A120	L111-K115 PolarHBondContact O-N 3.23Å; S112-K115 PolarHBondContact O-N 2.77Å; K115-A120 VanDerWaalsContact O-CB 3.3Å; K115-A120 WeakPolarHBondContact O-CB 3.36Å; K115-A120 PolarHBondContact O-N 3.3Å; K115-A120 VanDerWaalsContact O-N 3.11Å
116	N	58.2	Low	57.4	Low	122 Å²	122	77.2 Å²	77.2	65%	0.652	45%	0.453	S	S	*	.	I	π-helix	trans	-80.7	-26.5	-177.8	-66.9	-10.7	0	0	0	114	S112 F114	S112-N116 PolarHBondContact O-N 3.22Å; F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 3.1Å
117	L	57.4	Low	55	Low	84 Å²	84	82.1 Å²	82.1	44%	0.44	48%	0.477	S	S	.	.	I	π-helix	trans	-97.1	-33.3	-174.5	-150.7	92.5	0	0	0	113.2	T113 F114	T113-L117 VanDerWaalsContact O-CB 3.29Å; T113-L117 WeakPolarHBondContact O-CB 3.49Å; T113-L117 PolarHBondContact O-N 2.89Å; F114-L117 PolarHBondContact O-N 3.38Å
118	V	57.4	Low	52.5	Low	28 Å²	28	88.1 Å²	88.1	17%	0.17	50%	0.496	C	S	.	.	I	π-helix	trans	-113.3	-37.2	-168.2	-172.8	0	0	0	0	112.5	I32 F114 L154	I32-V118 HydrophobicContact CD1-CG1 4.08Å; I32-V118 HydrophobicContact CG2-CG1 4.27Å; I32-V118 HydrophobicContact CG2-CG2 4.12Å; F114-V118 HydrophobicContact CD1-CG2 4.43Å; F114-V118 WeakPolarHBondContact O-CB 3.41Å; F114-V118 PolarHBondContact O-N 3.38Å; V118-L154 HydrophobicContact CG1-CB 4.47Å; V118-L154 HydrophobicContact CG1-CD2 3.51Å
119	F	58.5	Low	50.3	Low	50 Å²	50	95.6 Å²	95.6	22%	0.219	54%	0.535	C	S	.	.	I	π-helix	trans	-98.4	-15.8	179.7	-63.5	-62.8	0	0	0	113.8	L154 K156	F119-L154 HydrophobicContact CE1-CD2 3.64Å; F119-L154 HydrophobicContact CZ-CD2 3.67Å; F119-K156 HydrophobicContact CD1-CG 3.92Å; F119-K156 HydrophobicContact CE1-CB 4.48Å; F119-K156 HydrophobicContact CE1-CG 3.85Å; F119-K156 HydrophobicContact CG-CG 4.46Å; F119-K156 HydrophobicContact CZ-CG 4.32Å
120	A	48.6	Very low	48.1	Very low	49 Å²	49	102.1 Å²	102.1	41%	0.405	57%	0.57	S	S	.	*	S	Bend	trans	-104.4	78.5	-178.1	0	0	0	0	0	111.2	K115	K115-A120 VanDerWaalsContact O-CB 3.3Å; K115-A120 WeakPolarHBondContact O-CB 3.36Å; K115-A120 PolarHBondContact O-N 3.3Å; K115-A120 VanDerWaalsContact O-N 3.11Å
121	K	43.6	Very low	46	Very low	202 Å²	202	105.6 Å²	105.6	88%	0.878	59%	0.589	S	S	*	*			trans	-175	76.7	154.1	-105.8	169.9	-175	-178	0	110.4
122	S	37.2	Very low	44.3	Very low	115 Å²	115	108.7 Å²	108.7	80%	0.804	61%	0.605	S	S	*	*			trans	-132.1	8.3	156.6	68	0	0	0	0	112.8
123	S	31	Very low	42.7	Very low	103 Å²	103	112.6 Å²	112.6	72%	0.72	62%	0.621	S	S	*	*			trans	-97.4	17.3	-170.7	61	0	0	0	0	115.2
124	N	29.7	Very low	41.3	Very low	162 Å²	162	117.3 Å²	117.3	87%	0.866	65%	0.645	S	S	*	*			trans	-120.6	50.2	176.6	-84.7	14.9	0	0	0	111.9
125	V	32.6	Very low	40	Very low	139 Å²	139	125.3 Å²	125.3	84%	0.842	68%	0.682	S	S	*	*	S	Bend	trans	-117.5	116.8	153.1	-178.5	0	0	0	0	105
126	G	27.7	Very low	38.7	Very low	61 Å²	61	125.5 Å²	125.5	63%	0.629	69%	0.69	S	S	*	*			trans	-65.7	168.5	-170.5	0	0	0	0	0	114
127	N	28.9	Very low	37.6	Very low	156 Å²	156	125.4 Å²	125.4	83%	0.834	70%	0.699	S	S	*	*			trans	91.4	94.2	171	-57.5	-2.9	0	0	0	114
128	E	28.5	Very low	36.5	Very low	181 Å²	181	125.1 Å²	125.1	85%	0.846	72%	0.716	S	S	*	*				11.7	117.6	122.1	-62.5	175.8	176.4	0	0	114
129	I	36.1	Very low	35.3	Very low	170 Å²	170	132.1 Å²	132.1	87%	0.872	75%	0.752	S	S	*	*			trans	-166.6	112.7	130.3	-87.1	142.4	0	0	0	105.2
130	D	31	Very low	34.1	Very low	141 Å²	141	133 Å²	133	75%	0.754	78%	0.776	S	S	*	*			trans	-60.6	163.5	160.7	-79.2	-45	0	0	0	110.6
131	D	32.6	Very low	33.2	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	80%	0.797	S	S	*	*			trans	85.8	111.2	157.7	-53.7	-28.7	0	0	0	118.2
132	D	33.8	Very low	32.7	Very low	136 Å²	136	128.4 Å²	128.4	73%	0.727	79%	0.79	S	S	*	*				49	120.5	123.3	-60.4	-18.6	0	0	0	119.8
133	D	34.1	Very low	32.4	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	80%	0.799	S	S	*	*			trans	66.6	141.4	140.7	-62.6	-25.3	0	0	0	121.1
134	D	36.8	Very low	32.3	Very low	150 Å²	150	131 Å²	131	80%	0.802	80%	0.799	S	S	*	*			trans	86.4	111	152.3	-62.5	-23.9	0	0	0	121
135	E	34.1	Very low	32.4	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	80%	0.795	S	S	*	*			trans	0.5	145.7	141.3	-58.7	-166.5	165.8	0	0	120
136	N	34.3	Very low	32.3	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	80%	0.797	S	S	*	*			trans	99.1	109.2	151.6	-77.1	-36.9	0	0	0	119.3
137	S	35.4	Very low	32.5	Very low	120 Å²	120	136.8 Å²	136.8	84%	0.839	81%	0.805	S	S	*	*				82.5	135.6	123.2	74.6	0	0	0	0	117.9
138	G	33.6	Very low	32.6	Very low	78 Å²	78	134 Å²	134	80%	0.804	80%	0.798	S	S	*	*			trans	146.6	85.4	160.2	0	0	0	0	0	114.4
139	D	32.6	Very low	32.7	Very low	174 Å²	174	132.5 Å²	132.5	93%	0.93	80%	0.796	S	S	*	*			trans	-49.9	137.2	164.5	-170.2	13.2	0	0	0	112.2
140	G	34.2	Very low	32.8	Very low	70 Å²	70	133 Å²	133	72%	0.722	79%	0.787	S	S	*	*			trans	-173.5	80.3	-173.9	0	0	0	0	0	111.9
141	G	29.5	Very low	33.5	Very low	82 Å²	82	136.4 Å²	136.4	85%	0.845	79%	0.789	S	S	*	*			trans	-58.7	138.1	177.1	0	0	0	0	0	114
142	G	32.2	Very low	34.4	Very low	71 Å²	71	131.5 Å²	131.5	73%	0.732	76%	0.761	S	S	*	*			trans	-166.3	102.8	170.9	0	0	0	0	0	110.2	A144	G142-A144 PolarHBondContact O-N 3.06Å; G142-A144 VanDerWaalsContact O-N 3.12Å
143	D	30.9	Very low	35.2	Very low	184 Å²	184	133.2 Å²	133.2	98%	0.984	76%	0.762	S	S	*	*			trans	-54.1	108.3	172	-92.2	-39.2	0	0	0	111
144	A	30.6	Very low	36.5	Very low	89 Å²	89	127.3 Å²	127.3	74%	0.736	73%	0.731	S	S	*	*			trans	-150.7	111	166.7	0	0	0	0	0	111.9	G142	G142-A144 PolarHBondContact O-N 3.06Å; G142-A144 VanDerWaalsContact O-N 3.12Å
145	N	30.8	Very low	37.9	Very low	144 Å²	144	123.5 Å²	123.5	77%	0.77	71%	0.713	S	S	*	*			trans	69.8	96.8	156.2	-86.7	-19.3	0	0	0	120.2	N147	N145-N147 PolarHBondContact O-N 3.39Å
146	Q	29.7	Very low	39.4	Very low	188 Å²	188	120.7 Å²	120.7	88%	0.879	70%	0.698	S	S	*	*	S	Bend	trans	-63.2	30.7	167	-66	-178.6	-20.2	0	0	116.1
147	N	33.6	Very low	40.9	Very low	152 Å²	152	119.4 Å²	119.4	81%	0.813	69%	0.691	S	S	*	*			trans	-105.7	10.1	-178	-92.4	-8.6	0	0	0	115.1	N145	N145-N147 PolarHBondContact O-N 3.39Å
148	S	30.3	Very low	42.7	Very low	98 Å²	98	114.8 Å²	114.8	69%	0.685	66%	0.659	S	S	*	*			trans	-84.5	-2.7	-178.2	50.5	0	0	0	0	115.4
149	N	30.9	Very low	44.5	Very low	149 Å²	149	112.8 Å²	112.8	80%	0.797	63%	0.631	S	S	*	*	S	Bend	trans	-95.7	16.1	-161.3	-90.6	-11.6	0	0	0	118.3
150	R	38.4	Very low	46.6	Very low	179 Å²	179	105.7 Å²	105.7	68%	0.675	59%	0.592	S	S	*	*			trans	-139.5	30.2	-175.4	-74.7	-169.3	177.9	179	0.4	117.4	C47	C47-R150 PolarHBondContact SG-NH1 2.87Å
151	R	44.3	Very low	48.4	Very low	213 Å²	213	102.3 Å²	102.3	80%	0.804	56%	0.558	S	S	*	*			trans	-97.6	123.4	173.1	-76	-176.4	-179.6	166.8	1.9	111.8	F153	R151-F153 PolarHBondContact O-N 3.17Å
152	F	51.8	Low	50.6	Low	35 Å²	35	99.9 Å²	99.9	15%	0.154	53%	0.525	C	S	.	.			trans	-60.5	96.6	165.8	-169.3	-85.3	0	0	0	108.4	L28 Y31 I32 L35 Y57 M60 L154	L28-F152 HydrophobicContact CD1-CE1 4.09Å; L28-F152 HydrophobicContact CD1-CZ 3.64Å; Y31-F152 HydrophobicContact CD1-CD2 4.14Å; Y31-F152 AromaticContact CD1-CE2 3.91Å; Y31-F152 HydrophobicContact CD1-CE2 3.91Å; Y31-F152 AromaticContact CE1-CD2 3.49Å; Y31-F152 HydrophobicContact CE1-CD2 3.49Å; Y31-F152 VanDerWaalsContact CE1-CD2 3.49Å; Y31-F152 AromaticContact CE1-CE2 3.55Å; Y31-F152 HydrophobicContact CE1-CE2 3.55Å; Y31-F152 HydrophobicContact CE1-CG 4.48Å; I32-F152 HydrophobicContact CD1-CE1 4.32Å; I32-F152 HydrophobicContact CG1-CD1 4.35Å; I32-F152 HydrophobicContact CG1-CE1 4.27Å; L35-F152 HydrophobicContact CD1-CB 3.91Å; L35-F152 HydrophobicContact CD1-CG 4.47Å; Y57-F152 AromaticContact CD1-CE2 3.98Å; Y57-F152 HydrophobicContact CD1-CE2 3.98Å; Y57-F152 AromaticContact CE1-CD2 3.59Å; Y57-F152 HydrophobicContact CE1-CD2 3.59Å; Y57-F152 AromaticContact CE1-CE2 2.99Å; Y57-F152 HydrophobicContact CE1-CE2 2.99Å; Y57-F152 AromaticContact CE1-CZ 3.7Å; Y57-F152 HydrophobicContact CE1-CZ 3.7Å; Y57-F152 HydrophobicContact CE2-CD2 4.47Å; Y57-F152 HydrophobicContact CE2-CE2 4.47Å; Y57-F152 AromaticContact CZ-CD2 3.37Å; Y57-F152 AromaticContact CZ-CE2 3.32Å; Y57-F152 WeakPolarHBondContact OH-CD2 3.34Å; Y57-F152 VanDerWaalsContact OH-CE2 3.27Å; Y57-F152 WeakPolarHBondContact OH-CE2 3.21Å; M60-F152 HydrophobicContact CE-CE2 4.21Å; M60-F152 HydrophobicContact CE-CZ 4.45Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 HydrophobicContact CD1-CB 3.92Å; F152-L154 HydrophobicContact CD1-CD1 4.38Å; F152-L154 HydrophobicContact CE1-CB 3.97Å; F152-L154 HydrophobicContact CE1-CD1 3.57Å; F152-L154 HydrophobicContact CE1-CG 4.39Å; F152-L154 HydrophobicContact CZ-CD1 4.47Å; F152-L154 PolarHBondContact O-N 3.01Å
153	F	51.4	Low	52.8	Low	171 Å²	171	97.2 Å²	97.2	75%	0.75	49%	0.493	S	S	*	.			trans	-75.1	81.2	179.7	-96.5	-86.6	0	0	0	110.1	R151 T155	R151-F153 PolarHBondContact O-N 3.17Å; F153-T155 HydrophobicContact CD1-CG2 4.43Å; F153-T155 PolarHBondContact O-N 3.29Å
154	L	61.7	Low	55.1	Low	19 Å²	19	88.7 Å²	88.7	10%	0.099	45%	0.447	C	S	.	.			trans	-83.2	87.9	167.8	-162.5	114.6	0	0	0	109.1	I32 V118 F119 F152 F160 L164	I32-L154 HydrophobicContact CD1-CD1 4.29Å; V118-L154 HydrophobicContact CG1-CB 4.47Å; V118-L154 HydrophobicContact CG1-CD2 3.51Å; F119-L154 HydrophobicContact CE1-CD2 3.64Å; F119-L154 HydrophobicContact CZ-CD2 3.67Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 HydrophobicContact CD1-CB 3.92Å; F152-L154 HydrophobicContact CD1-CD1 4.38Å; F152-L154 HydrophobicContact CE1-CB 3.97Å; F152-L154 HydrophobicContact CE1-CD1 3.57Å; F152-L154 HydrophobicContact CE1-CG 4.39Å; F152-L154 HydrophobicContact CZ-CD1 4.47Å; F152-L154 PolarHBondContact O-N 3.01Å; L154-F160 HydrophobicContact CD1-CB 3.52Å; L154-L164 HydrophobicContact CD1-CD1 4.16Å; L154-L164 HydrophobicContact CD2-CD1 3.79Å
155	T	64.7	Low	57.1	Low	69 Å²	69	89.4 Å²	89.4	42%	0.423	43%	0.431	S	S	.	.			trans	-79.3	158.7	170.6	59.6	0	0	0	0	110.3	F153 D157 S158	F153-T155 HydrophobicContact CD1-CG2 4.43Å; F153-T155 PolarHBondContact O-N 3.29Å; T155-D157 PolarHBondContact O-N 3.36Å; T155-D157 VanDerWaalsContact O-N 3.16Å; T155-S158 WeakPolarHBondContact O-CB 3.12Å; T155-S158 PolarHBondContact O-N 2.99Å; T155-S158 PolarHBondContact O-OG 3.5Å; T155-S158 WeakPolarHBondContact OG1-CB 3.39Å; T155-S158 PolarHBondContact OG1-N 3.22Å; T155-S158 VanDerWaalsContact OG1-N 3.15Å
156	K	65.6	Low	59.3	Low	113 Å²	113	83.8 Å²	83.8	49%	0.491	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.3	175.4	-70.9	179	-177.5	169	0	112.7	F119	F119-K156 HydrophobicContact CD1-CG 3.92Å; F119-K156 HydrophobicContact CE1-CB 4.48Å; F119-K156 HydrophobicContact CE1-CG 3.85Å; F119-K156 HydrophobicContact CG-CG 4.46Å; F119-K156 HydrophobicContact CZ-CG 4.32Å
157	D	67.2	Low	61.6	Low	110 Å²	110	74.8 Å²	74.8	59%	0.588	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	14.6	-179.9	-48.6	-47	0	0	0	111.9	Y4 T155	Y4-D157 WeakPolarHBondContact CE2-O 3.46Å; Y4-D157 VanDerWaalsContact OH-C 3.3Å; Y4-D157 WeakPolarHBondContact OH-CA 3.49Å; Y4-D157 PolarHBondContact OH-O 3.02Å; T155-D157 PolarHBondContact O-N 3.36Å; T155-D157 VanDerWaalsContact O-N 3.16Å
158	S	73.3	Confident	63.8	Low	22 Å²	22	67.8 Å²	67.8	15%	0.154	32%	0.321	C	S	.	.	S	Bend	trans	-78.5	154.9	167.2	67.2	0	0	0	0	109.5	T155 F160 G161 L162	T155-S158 WeakPolarHBondContact O-CB 3.12Å; T155-S158 PolarHBondContact O-N 2.99Å; T155-S158 PolarHBondContact O-OG 3.5Å; T155-S158 WeakPolarHBondContact OG1-CB 3.39Å; T155-S158 PolarHBondContact OG1-N 3.22Å; T155-S158 VanDerWaalsContact OG1-N 3.15Å; S158-F160 PolarHBondContact O-N 2.89Å; S158-G161 PolarHBondContact O-N 3.14Å; S158-G161 PolarHBondContact OG-N 3.21Å; S158-L162 PolarHBondContact O-N 3.3Å
159	V	70.8	Confident	66	Low	37 Å²	37	66 Å²	66	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-52.2	-44.6	175.9	177.3	0	0	0	0	111.5	F3 Y4 L64 F163	F3-V159 HydrophobicContact CD1-CG1 3.57Å; F3-V159 HydrophobicContact CE1-CG1 3.3Å; Y4-V159 HydrophobicContact CD2-CG2 3.88Å; Y4-V159 HydrophobicContact CE2-CG2 4.29Å; L64-V159 HydrophobicContact CD1-CG1 4.01Å; V159-F163 WeakPolarHBondContact O-CB 3.5Å; V159-F163 PolarHBondContact O-N 3.14Å
160	F	76.3	Confident	68.1	Low	24 Å²	24	59 Å²	59	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-72.2	-34.4	177.1	-66.8	-71.1	0	0	0	112.9	L28 Y57 M60 L64 L154 S158 F163 L164	L28-F160 HydrophobicContact CD1-CD1 4.29Å; L28-F160 HydrophobicContact CD1-CG 4.48Å; L28-F160 HydrophobicContact CD2-CB 4.06Å; L28-F160 HydrophobicContact CD2-CD1 4.06Å; L28-F160 HydrophobicContact CD2-CG 4.43Å; Y57-F160 HydrophobicContact CD1-CE2 4.29Å; M60-F160 HydrophobicContact CB-CE1 3.69Å; M60-F160 HydrophobicContact CB-CZ 3.82Å; L64-F160 HydrophobicContact CD1-CD1 3.51Å; L64-F160 HydrophobicContact CD1-CE1 3.15Å; L64-F160 HydrophobicContact CD1-CG 4.39Å; L64-F160 HydrophobicContact CD1-CZ 3.8Å; L64-F160 HydrophobicContact CG-CE1 4.18Å; L154-F160 HydrophobicContact CD1-CB 3.52Å; S158-F160 PolarHBondContact O-N 2.89Å; F160-F163 PolarHBondContact O-N 3.43Å; F160-L164 WeakPolarHBondContact O-CB 3.47Å; F160-L164 WeakPolarHBondContact O-CG 3.47Å; F160-L164 PolarHBondContact O-N 3.31Å
161	G	73.5	Confident	70	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-41.4	174.6	0	0	0	0	0	113	S158 R165	S158-G161 PolarHBondContact O-N 3.14Å; S158-G161 PolarHBondContact OG-N 3.21Å; G161-R165 WeakPolarHBondContact O-CG 3.47Å; G161-R165 PolarHBondContact O-N 3.22Å; G161-R165 VanDerWaalsContact O-N 3.16Å
162	L	74.6	Confident	71.6	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-47	171.4	-82.5	167.6	0	0	0	111.7	Y4 I7 S158 L164 R165 K166	Y4-L162 HydrophobicContact CD1-CD1 4.19Å; Y4-L162 HydrophobicContact CD2-CD1 4.17Å; Y4-L162 HydrophobicContact CE1-CD1 3.56Å; Y4-L162 HydrophobicContact CE2-CD1 3.52Å; Y4-L162 HydrophobicContact CG-CD1 4.47Å; Y4-L162 VanDerWaalsContact OH-CD1 3.25Å; Y4-L162 WeakPolarHBondContact OH-CD1 3.38Å; I7-L162 HydrophobicContact CG2-CB 4.06Å; I7-L162 HydrophobicContact CG2-CD1 4.49Å; S158-L162 PolarHBondContact O-N 3.3Å; L162-L164 PolarHBondContact O-N 3.13Å; L162-R165 PolarHBondContact O-N 2.71Å; L162-K166 WeakPolarHBondContact O-CG 3.12Å; L162-K166 PolarHBondContact O-N 3.24Å
163	F	79.1	Confident	72.7	Confident	15 Å²	15	50.9 Å²	50.9	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-52.2	176.1	165.1	-103.9	0	0	0	111.8	S21 L24 F25 L28 L64 V159 F160 R165 K166 F167	S21-F163 WeakPolarHBondContact O-CZ 3.43Å; L24-F163 HydrophobicContact CB-CZ 4.29Å; L24-F163 HydrophobicContact CD2-CD1 4.11Å; L24-F163 HydrophobicContact CD2-CD2 4.37Å; L24-F163 HydrophobicContact CD2-CE1 3.66Å; L24-F163 HydrophobicContact CD2-CE2 3.95Å; L24-F163 HydrophobicContact CD2-CG 4.45Å; L24-F163 HydrophobicContact CD2-CZ 3.58Å; L24-F163 HydrophobicContact CG-CE1 3.81Å; L24-F163 HydrophobicContact CG-CZ 3.96Å; F25-F163 HydrophobicContact CB-CE1 4.33Å; F25-F163 HydrophobicContact CB-CZ 4.38Å; L28-F163 HydrophobicContact CD2-CD1 4.35Å; L64-F163 HydrophobicContact CD2-CB 3.89Å; L64-F163 HydrophobicContact CD2-CD1 4.36Å; L64-F163 HydrophobicContact CD2-CD2 3.64Å; L64-F163 HydrophobicContact CD2-CE2 4.31Å; L64-F163 HydrophobicContact CD2-CG 3.68Å; V159-F163 WeakPolarHBondContact O-CB 3.5Å; V159-F163 PolarHBondContact O-N 3.14Å; F160-F163 PolarHBondContact O-N 3.43Å; F163-R165 VanDerWaalsContact C-N 3.31Å; F163-R165 PolarHBondContact O-N 3.22Å; F163-K166 PolarHBondContact O-N 2.88Å; F163-F167 HydrophobicContact CE2-CB 4.26Å; F163-F167 HydrophobicContact CE2-CD2 4.38Å; F163-F167 HydrophobicContact CZ-CB 4.26Å; F163-F167 HydrophobicContact CZ-CD2 4.28Å; F163-F167 HydrophobicContact CZ-CG 4.35Å; F163-F167 WeakPolarHBondContact O-CB 3.41Å; F163-F167 PolarHBondContact O-N 2.95Å
164	L	78	Confident	73.9	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-43.8	179.5	-76.3	175.2	0	0	0	112	F25 L28 F114 L154 F160 L162 S168	F25-L164 HydrophobicContact CD2-CD2 3.42Å; F25-L164 VanDerWaalsContact CD2-CD2 3.42Å; F25-L164 HydrophobicContact CE2-CD2 3.61Å; F25-L164 HydrophobicContact CG-CD2 4.42Å; L28-L164 HydrophobicContact CD2-CD1 3.79Å; L28-L164 HydrophobicContact CD2-CD2 3.78Å; L28-L164 HydrophobicContact CD2-CG 3.68Å; F114-L164 HydrophobicContact CE1-CD2 4.44Å; L154-L164 HydrophobicContact CD1-CD1 4.16Å; L154-L164 HydrophobicContact CD2-CD1 3.79Å; F160-L164 WeakPolarHBondContact O-CB 3.47Å; F160-L164 WeakPolarHBondContact O-CG 3.47Å; F160-L164 PolarHBondContact O-N 3.31Å; L162-L164 PolarHBondContact O-N 3.13Å; L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 3.41Å; L164-S168 PolarHBondContact O-OG 2.87Å
165	R	74.3	Confident	74.7	Confident	105 Å²	105	46.5 Å²	46.5	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-46.3	177.7	-73.3	175.1	69	-178.4	0.9	111.5	G161 L162 F163 L169	G161-R165 WeakPolarHBondContact O-CG 3.47Å; G161-R165 PolarHBondContact O-N 3.22Å; G161-R165 VanDerWaalsContact O-N 3.16Å; L162-R165 PolarHBondContact O-N 2.71Å; F163-R165 VanDerWaalsContact C-N 3.31Å; F163-R165 PolarHBondContact O-N 3.22Å; R165-L169 WeakPolarHBondContact O-CB 3.44Å; R165-L169 WeakPolarHBondContact O-CD1 3.04Å; R165-L169 WeakPolarHBondContact O-CG 3.27Å; R165-L169 PolarHBondContact O-N 2.73Å
166	K	75.2	Confident	75.4	Confident	25 Å²	25	49 Å²	49	11%	0.109	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-46	179.2	-73.7	-153.1	174.3	-145.2	0	112	I7 E10 F13 S16 L162 F163 L169 G170	I7-K166 HydrophobicContact CG2-CD 3.92Å; I7-K166 WeakPolarHBondContact O-CE 3.25Å; I7-K166 PolarHBondContact O-NZ 3.25Å; E10-K166 PolarHBondContact O-NZ 2.77Å; F13-K166 HydrophobicContact CD1-CB 4.45Å; F13-K166 HydrophobicContact CD1-CG 4.38Å; F13-K166 HydrophobicContact CE1-CG 4.34Å; S16-K166 PolarHBondContact OG-O 3.41Å; S16-K166 VanDerWaalsContact OG-O 3.11Å; L162-K166 WeakPolarHBondContact O-CG 3.12Å; L162-K166 PolarHBondContact O-N 3.24Å; F163-K166 PolarHBondContact O-N 2.88Å; K166-L169 PolarHBondContact O-N 3.22Å; K166-G170 PolarHBondContact O-N 2.9Å
167	F	79.8	Confident	75.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-48	178.2	-174.5	-92.8	0	0	0	112	S16 V17 S21 F22 F25 T109 F163 L169 G170 I171	S16-F167 VanDerWaalsContact O-CD2 3.26Å; S16-F167 WeakPolarHBondContact O-CD2 3.35Å; S16-F167 WeakPolarHBondContact OG-CA 3.26Å; V17-F167 HydrophobicContact CG1-CE2 4.39Å; S21-F167 WeakPolarHBondContact OG-CE2 3.08Å; F22-F167 HydrophobicContact CB-CE2 4.14Å; F22-F167 HydrophobicContact CB-CZ 3.72Å; F22-F167 AromaticContact CD2-CE1 3.92Å; F22-F167 HydrophobicContact CD2-CE1 3.92Å; F22-F167 AromaticContact CD2-CZ 3.55Å; F22-F167 HydrophobicContact CD2-CZ 3.55Å; F22-F167 HydrophobicContact CG-CZ 4.07Å; F25-F167 HydrophobicContact CB-CD1 4.06Å; F25-F167 HydrophobicContact CB-CE1 3.91Å; F25-F167 HydrophobicContact CB-CZ 4.32Å; F25-F167 HydrophobicContact CD1-CD1 4.27Å; F25-F167 AromaticContact CD1-CE1 3.92Å; F25-F167 HydrophobicContact CD1-CE1 3.92Å; F25-F167 HydrophobicContact CD2-CB 4.32Å; F25-F167 AromaticContact CD2-CD1 3.2Å; F25-F167 HydrophobicContact CD2-CD1 3.2Å; F25-F167 AromaticContact CD2-CE1 3.7Å; F25-F167 HydrophobicContact CD2-CE1 3.7Å; F25-F167 AromaticContact CD2-CG 3.93Å; F25-F167 HydrophobicContact CD2-CG 3.93Å; F25-F167 HydrophobicContact CE1-CD1 4.44Å; F25-F167 HydrophobicContact CE1-CE1 4.2Å; F25-F167 AromaticContact CE2-CD1 3.43Å; F25-F167 HydrophobicContact CE2-CD1 3.43Å; F25-F167 VanDerWaalsContact CE2-CD1 3.43Å; F25-F167 HydrophobicContact CE2-CE1 4.02Å; F25-F167 HydrophobicContact CE2-CG 4.38Å; F25-F167 AromaticContact CG-CD1 3.63Å; F25-F167 HydrophobicContact CG-CD1 3.63Å; F25-F167 AromaticContact CG-CE1 3.6Å; F25-F167 HydrophobicContact CG-CE1 3.6Å; F25-F167 HydrophobicContact CG-CG 4.45Å; F25-F167 HydrophobicContact CG-CZ 4.46Å; F25-F167 AromaticContact CZ-CD1 3.98Å; F25-F167 HydrophobicContact CZ-CD1 3.98Å; F25-F167 HydrophobicContact CZ-CE1 4.18Å; T109-F167 HydrophobicContact CG2-CE1 4.44Å; F163-F167 HydrophobicContact CE2-CB 4.26Å; F163-F167 HydrophobicContact CE2-CD2 4.38Å; F163-F167 HydrophobicContact CZ-CB 4.26Å; F163-F167 HydrophobicContact CZ-CD2 4.28Å; F163-F167 HydrophobicContact CZ-CG 4.35Å; F163-F167 WeakPolarHBondContact O-CB 3.41Å; F163-F167 PolarHBondContact O-N 2.95Å; F167-L169 PolarHBondContact O-N 2.93Å; F167-G170 WeakPolarHBondContact O-CA 3.41Å; F167-G170 PolarHBondContact O-N 3.16Å; F167-G170 VanDerWaalsContact O-N 3.12Å; F167-I171 HydrophobicContact CD1-CD1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 3.25Å; F167-I171 HydrophobicContact CE1-CG1 4.04Å; F167-I171 HydrophobicContact CZ-CD1 3.51Å; F167-I171 HydrophobicContact CZ-CG1 4.16Å; F167-I171 PolarHBondContact O-N 3.2Å
168	S	79	Confident	76.3	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-40.2	176.8	-75.2	0	0	0	0	112.6	T109 L164 G170 Y172	T109-S168 PolarHBondContact O-OG 2.98Å; L164-S168 WeakPolarHBondContact O-CB 3.47Å; L164-S168 PolarHBondContact O-N 3.41Å; L164-S168 PolarHBondContact O-OG 2.87Å; S168-G170 VanDerWaalsContact C-N 3.29Å; S168-Y172 WeakPolarHBondContact O-CB 3.38Å; S168-Y172 PolarHBondContact O-N 3.38Å
169	L	76.8	Confident	76.6	Confident	62 Å²	62	49.9 Å²	49.9	33%	0.325	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-35.8	173.1	-73.6	167.9	0	0	0	111.5	F13 R165 K166 F167 Y172 S173	F13-L169 HydrophobicContact CB-CB 4.2Å; F13-L169 HydrophobicContact CD1-CB 3.63Å; F13-L169 HydrophobicContact CD1-CD1 4.06Å; F13-L169 HydrophobicContact CD2-CB 4.25Å; F13-L169 HydrophobicContact CE1-CB 4.01Å; F13-L169 HydrophobicContact CE1-CD1 3.53Å; F13-L169 HydrophobicContact CE1-CG 4.41Å; F13-L169 HydrophobicContact CE2-CD1 4.46Å; F13-L169 HydrophobicContact CG-CB 3.77Å; F13-L169 HydrophobicContact CZ-CB 4.47Å; F13-L169 HydrophobicContact CZ-CD1 3.77Å; R165-L169 WeakPolarHBondContact O-CB 3.44Å; R165-L169 WeakPolarHBondContact O-CD1 3.04Å; R165-L169 WeakPolarHBondContact O-CG 3.27Å; R165-L169 PolarHBondContact O-N 2.73Å; K166-L169 PolarHBondContact O-N 3.22Å; F167-L169 PolarHBondContact O-N 2.93Å; L169-Y172 PolarHBondContact O-N 3.42Å; L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 3.44Å; L169-S173 PolarHBondContact O-OG 3.47Å
170	G	75.3	Confident	77	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-52.1	176.9	0	0	0	0	0	111.6	F13 V17 K166 F167 S168 Y172 S173 Q174	F13-G170 VanDerWaalsContact CB-CA 3.48Å; F13-G170 WeakPolarHBondContact O-CA 3.46Å; V17-G170 VanDerWaalsContact CG2-C 3.47Å; K166-G170 PolarHBondContact O-N 2.9Å; F167-G170 WeakPolarHBondContact O-CA 3.41Å; F167-G170 PolarHBondContact O-N 3.16Å; F167-G170 VanDerWaalsContact O-N 3.12Å; S168-G170 VanDerWaalsContact C-N 3.29Å; G170-Y172 VanDerWaalsContact C-N 3.32Å; G170-Y172 PolarHBondContact O-N 2.93Å; G170-S173 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact O-OG 3.01Å; G170-Q174 WeakPolarHBondContact O-CG 3.48Å; G170-Q174 PolarHBondContact O-N 3.45Å
171	I	78.1	Confident	77.2	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-42.5	175.6	-68.8	-171.8	0	0	0	111.2	V17 T109 F167 S173 Q174 L179	V17-I171 HydrophobicContact CG1-CG1 4.04Å; V17-I171 HydrophobicContact CG2-CG1 3.76Å; T109-I171 HydrophobicContact CG2-CD1 3.45Å; T109-I171 VanDerWaalsContact CG2-CD1 3.45Å; F167-I171 HydrophobicContact CD1-CD1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 3.25Å; F167-I171 HydrophobicContact CE1-CG1 4.04Å; F167-I171 HydrophobicContact CZ-CD1 3.51Å; F167-I171 HydrophobicContact CZ-CG1 4.16Å; F167-I171 PolarHBondContact O-N 3.2Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 3.44Å; I171-Q174 PolarHBondContact O-N 2.91Å; I171-L179 HydrophobicContact CG2-CD1 3.61Å
172	Y	77.9	Confident	77.6	Confident	189 Å²	189	55.8 Å²	55.8	74%	0.741	26%	0.263	S	S	*	.	H	α-helix	trans	-66.3	-28.1	-179.6	-167.3	-98.6	0	0	0	113.3	S168 L169 G170 Q174	S168-Y172 WeakPolarHBondContact O-CB 3.38Å; S168-Y172 PolarHBondContact O-N 3.38Å; L169-Y172 PolarHBondContact O-N 3.42Å; G170-Y172 VanDerWaalsContact C-N 3.32Å; G170-Y172 PolarHBondContact O-N 2.93Å; Y172-Q174 VanDerWaalsContact C-N 3.31Å
173	S	75.1	Confident	78	Confident	59 Å²	59	54.4 Å²	54.4	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-78.4	-11.3	177.4	69.4	0	0	0	0	114.3	L169 G170 I171	L169-S173 WeakPolarHBondContact O-CB 3.22Å; L169-S173 PolarHBondContact O-N 3.44Å; L169-S173 PolarHBondContact O-OG 3.47Å; G170-S173 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact O-OG 3.01Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 3.44Å
174	Q	75.4	Confident	78.2	Confident	39 Å²	39	56.3 Å²	56.3	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-79	146.5	178	-64.1	-69.9	-7.5	0	0	111.3	G170 I171 Y172 K178 L179	G170-Q174 WeakPolarHBondContact O-CG 3.48Å; G170-Q174 PolarHBondContact O-N 3.45Å; I171-Q174 PolarHBondContact O-N 2.91Å; Y172-Q174 VanDerWaalsContact C-N 3.31Å; Q174-K178 HydrophobicContact CB-CB 4.4Å; Q174-L179 HydrophobicContact CB-CB 4.35Å
175	S	79.3	Confident	78.3	Confident	60 Å²	60	59 Å²	59	42%	0.42	29%	0.286	S	S	.	.			trans	-66	152.8	165.1	66.8	0	0	0	0	109.9	E177 K178 L179	S175-E177 PolarHBondContact O-N 3.33Å; S175-K178 PolarHBondContact O-N 2.94Å; S175-K178 VanDerWaalsContact O-N 3.11Å; S175-K178 WeakPolarHBondContact OG-CG 3.49Å; S175-K178 PolarHBondContact OG-N 3.23Å; S175-L179 WeakPolarHBondContact O-CB 3.32Å; S175-L179 PolarHBondContact O-N 2.99Å
176	F	78.5	Confident	78.7	Confident	122 Å²	122	54 Å²	54	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-55	-36.6	177.9	-174.9	-109.2	0	0	0	112.4	L179 I180	F176-L179 PolarHBondContact O-N 3.5Å; F176-I180 HydrophobicContact CD1-CD1 3.71Å; F176-I180 HydrophobicContact CE1-CD1 3.27Å; F176-I180 HydrophobicContact CE1-CG1 4.25Å; F176-I180 HydrophobicContact CE2-CD1 4.41Å; F176-I180 HydrophobicContact CG-CD1 4.46Å; F176-I180 HydrophobicContact CZ-CD1 3.66Å; F176-I180 HydrophobicContact CZ-CG1 4.28Å; F176-I180 WeakPolarHBondContact O-CG1 3.1Å; F176-I180 PolarHBondContact O-N 3.04Å
177	E	77.4	Confident	79.2	Confident	136 Å²	136	53.3 Å²	53.3	64%	0.636	26%	0.264	S	S	*	.	H	α-helix	trans	-64.1	-47.6	176.1	-172.7	-179.6	179.9	0	0	112.7	S175 L179 I180 Q181	S175-E177 PolarHBondContact O-N 3.33Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.33Å; E177-I180 PolarHBondContact O-N 3.28Å; E177-Q181 WeakPolarHBondContact O-CG 3.37Å; E177-Q181 PolarHBondContact O-N 2.85Å
178	K	74.6	Confident	79.2	Confident	111 Å²	111	58 Å²	58	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-34.3	177.1	-76.3	-173.8	178.1	-175.6	0	112.2	Q174 S175 Q181 F182	Q174-K178 HydrophobicContact CB-CB 4.4Å; S175-K178 PolarHBondContact O-N 2.94Å; S175-K178 VanDerWaalsContact O-N 3.11Å; S175-K178 WeakPolarHBondContact OG-CG 3.49Å; S175-K178 PolarHBondContact OG-N 3.23Å; K178-Q181 PolarHBondContact O-N 2.93Å; K178-F182 WeakPolarHBondContact O-CB 3.2Å; K178-F182 PolarHBondContact O-N 3.09Å
179	L	79.1	Confident	79	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-40.2	178.1	178.3	152.9	0	0	0	111.6	V106 I171 Q174 S175 F176 E177 F182 F183	V106-L179 HydrophobicContact CG2-CD1 4.13Å; V106-L179 HydrophobicContact CG2-CD2 3.73Å; I171-L179 HydrophobicContact CG2-CD1 3.61Å; Q174-L179 HydrophobicContact CB-CB 4.35Å; S175-L179 WeakPolarHBondContact O-CB 3.32Å; S175-L179 PolarHBondContact O-N 2.99Å; F176-L179 PolarHBondContact O-N 3.5Å; E177-L179 VanDerWaalsContact C-N 3.26Å; E177-L179 PolarHBondContact O-N 3.33Å; L179-F182 PolarHBondContact O-N 2.79Å; L179-F183 HydrophobicContact CD1-CE2 4.45Å; L179-F183 HydrophobicContact CD2-CD2 3.56Å; L179-F183 HydrophobicContact CD2-CE2 3.29Å; L179-F183 HydrophobicContact CD2-CZ 4.38Å; L179-F183 HydrophobicContact CG-CD2 4.12Å; L179-F183 HydrophobicContact CG-CE2 3.72Å; L179-F183 HydrophobicContact CG-CZ 4.41Å; L179-F183 VanDerWaalsContact O-CD2 3.25Å; L179-F183 WeakPolarHBondContact O-CD2 3.41Å; L179-F183 WeakPolarHBondContact O-CG 3.44Å; L179-F183 PolarHBondContact O-N 3.09Å
180	I	80.8	Confident	79.2	Confident	43 Å²	43	55.7 Å²	55.7	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-49.7	170.5	-71.2	169.9	0	0	0	110.3	Y102 F176 E177 F182 F183 D184	Y102-I180 HydrophobicContact CD1-CG1 4.48Å; Y102-I180 HydrophobicContact CE1-CG2 4.32Å; F176-I180 HydrophobicContact CD1-CD1 3.71Å; F176-I180 HydrophobicContact CE1-CD1 3.27Å; F176-I180 HydrophobicContact CE1-CG1 4.25Å; F176-I180 HydrophobicContact CE2-CD1 4.41Å; F176-I180 HydrophobicContact CG-CD1 4.46Å; F176-I180 HydrophobicContact CZ-CD1 3.66Å; F176-I180 HydrophobicContact CZ-CG1 4.28Å; F176-I180 WeakPolarHBondContact O-CG1 3.1Å; F176-I180 PolarHBondContact O-N 3.04Å; E177-I180 PolarHBondContact O-N 3.28Å; I180-F182 VanDerWaalsContact C-N 3.28Å; I180-F182 PolarHBondContact O-N 3.45Å; I180-F183 PolarHBondContact O-N 3.07Å; I180-F183 VanDerWaalsContact O-N 3.07Å; I180-D184 WeakPolarHBondContact CG2-OD2 3.22Å; I180-D184 WeakPolarHBondContact O-CB 3.21Å; I180-D184 VanDerWaalsContact O-CG 3.29Å; I180-D184 PolarHBondContact O-N 3.31Å
181	Q	79.9	Confident	79.3	Confident	109 Å²	109	58.1 Å²	58.1	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-57.3	-41.2	178.6	-72.4	173.3	3.5	0	0	112.5	E177 K178 S185	E177-Q181 WeakPolarHBondContact O-CG 3.37Å; E177-Q181 PolarHBondContact O-N 2.85Å; K178-Q181 PolarHBondContact O-N 2.93Å; Q181-S185 VanDerWaalsContact O-CB 3.28Å; Q181-S185 WeakPolarHBondContact O-CB 3.41Å; Q181-S185 PolarHBondContact O-N 3.31Å
182	F	81.2	Confident	79.1	Confident	34 Å²	34	62.1 Å²	62.1	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-47	174.7	172	-99	0	0	0	111.8	V17 H19 F22 K178 L179 I180 S185 F186	V17-F182 HydrophobicContact CG1-CD1 4.14Å; V17-F182 HydrophobicContact CG1-CD2 4.05Å; V17-F182 HydrophobicContact CG1-CE1 3.88Å; V17-F182 HydrophobicContact CG1-CE2 3.77Å; V17-F182 HydrophobicContact CG1-CG 4.22Å; V17-F182 HydrophobicContact CG1-CZ 3.69Å; H19-F182 AromaticContact CD2-CE2 3.78Å; F22-F182 HydrophobicContact CB-CE1 4.28Å; F22-F182 HydrophobicContact CB-CZ 3.92Å; F22-F182 HydrophobicContact CD1-CE1 4.11Å; F22-F182 HydrophobicContact CD1-CZ 4.37Å; F22-F182 HydrophobicContact CG-CE1 4.16Å; F22-F182 HydrophobicContact CG-CZ 4.29Å; K178-F182 WeakPolarHBondContact O-CB 3.2Å; K178-F182 PolarHBondContact O-N 3.09Å; L179-F182 PolarHBondContact O-N 2.79Å; I180-F182 VanDerWaalsContact C-N 3.28Å; I180-F182 PolarHBondContact O-N 3.45Å; F182-S185 PolarHBondContact O-N 3.3Å; F182-F186 WeakPolarHBondContact O-CB 3.44Å; F182-F186 PolarHBondContact O-N 3.33Å
183	F	84	Confident	78.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-43.4	179	-74.7	-39.8	0	0	0	112.4	F22 Y102 A105 L179 I180 S185 F186 F187	F22-F183 HydrophobicContact CE1-CD1 4.15Å; F22-F183 AromaticContact CE1-CE1 3.9Å; F22-F183 HydrophobicContact CE1-CE1 3.9Å; F22-F183 HydrophobicContact CE2-CE1 4.1Å; F22-F183 HydrophobicContact CZ-CD1 4.23Å; F22-F183 AromaticContact CZ-CE1 3.57Å; F22-F183 HydrophobicContact CZ-CE1 3.57Å; Y102-F183 HydrophobicContact CD1-CB 4.14Å; Y102-F183 AromaticContact CD1-CD2 3.98Å; Y102-F183 HydrophobicContact CD1-CD2 3.98Å; Y102-F183 HydrophobicContact CD1-CG 4.48Å; Y102-F183 HydrophobicContact CE1-CB 3.95Å; A105-F183 HydrophobicContact CB-CD2 4.24Å; A105-F183 HydrophobicContact CB-CE1 4.14Å; A105-F183 HydrophobicContact CB-CE2 3.57Å; A105-F183 HydrophobicContact CB-CZ 3.55Å; L179-F183 HydrophobicContact CD1-CE2 4.45Å; L179-F183 HydrophobicContact CD2-CD2 3.56Å; L179-F183 HydrophobicContact CD2-CE2 3.29Å; L179-F183 HydrophobicContact CD2-CZ 4.38Å; L179-F183 HydrophobicContact CG-CD2 4.12Å; L179-F183 HydrophobicContact CG-CE2 3.72Å; L179-F183 HydrophobicContact CG-CZ 4.41Å; L179-F183 VanDerWaalsContact O-CD2 3.25Å; L179-F183 WeakPolarHBondContact O-CD2 3.41Å; L179-F183 WeakPolarHBondContact O-CG 3.44Å; L179-F183 PolarHBondContact O-N 3.09Å; I180-F183 PolarHBondContact O-N 3.07Å; I180-F183 VanDerWaalsContact O-N 3.07Å; F183-S185 VanDerWaalsContact C-N 3.33Å; F183-S185 PolarHBondContact O-N 2.98Å; F183-F186 PolarHBondContact O-N 3.24Å; F183-F186 VanDerWaalsContact O-N 3.16Å; F183-F187 HydrophobicContact CB-CD2 4.14Å; F183-F187 HydrophobicContact CB-CE2 3.86Å; F183-F187 HydrophobicContact CD1-CE2 4.38Å; F183-F187 HydrophobicContact CG-CE2 4.31Å; F183-F187 WeakPolarHBondContact O-CB 3.49Å; F183-F187 WeakPolarHBondContact O-CD2 3.43Å; F183-F187 WeakPolarHBondContact O-CG 3.09Å; F183-F187 PolarHBondContact O-N 3.06Å
184	D	82.6	Confident	78.4	Confident	56 Å²	56	55 Å²	55	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-57.3	-49.6	174.6	-68.3	-13.5	0	0	0	110.2	Y102 I180 F186 F187 D188	Y102-D184 PolarHBondContact OH-OD1 3.39Å; I180-D184 WeakPolarHBondContact CG2-OD2 3.22Å; I180-D184 WeakPolarHBondContact O-CB 3.21Å; I180-D184 VanDerWaalsContact O-CG 3.29Å; I180-D184 PolarHBondContact O-N 3.31Å; D184-F186 VanDerWaalsContact C-N 3.3Å; D184-F186 PolarHBondContact O-N 3.1Å; D184-F187 PolarHBondContact O-N 3.42Å; D184-D188 VanDerWaalsContact O-CB 3.28Å; D184-D188 WeakPolarHBondContact O-CB 3.15Å; D184-D188 PolarHBondContact O-N 3.38Å
185	S	80.7	Confident	77.5	Confident	61 Å²	61	56.8 Å²	56.8	43%	0.427	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-37.8	176.4	-175.1	0	0	0	0	113.1	H19 Q181 F182 F183 A189	H19-S185 PolarHBondContact CE1-O 3.37Å; Q181-S185 VanDerWaalsContact O-CB 3.28Å; Q181-S185 WeakPolarHBondContact O-CB 3.41Å; Q181-S185 PolarHBondContact O-N 3.31Å; F182-S185 PolarHBondContact O-N 3.3Å; F183-S185 VanDerWaalsContact C-N 3.33Å; F183-S185 PolarHBondContact O-N 2.98Å; S185-A189 VanDerWaalsContact O-CB 3.24Å; S185-A189 WeakPolarHBondContact O-CB 3.12Å; S185-A189 PolarHBondContact O-N 2.9Å; S185-A189 VanDerWaalsContact O-N 3.12Å
186	F	82.8	Confident	76.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69.8	-44	178.4	178.6	-93.7	0	0	0	111.5	H19 F22 I26 F72 I96 F182 F183 D184 A189 Y190	H19-F186 HydrophobicContact CB-CD2 3.94Å; H19-F186 HydrophobicContact CB-CE2 4.28Å; H19-F186 AromaticContact CD2-CD2 3.78Å; H19-F186 AromaticContact CG-CD2 3.78Å; F22-F186 HydrophobicContact CB-CE2 4.41Å; F22-F186 AromaticContact CD1-CD1 3.83Å; F22-F186 HydrophobicContact CD1-CD1 3.83Å; F22-F186 AromaticContact CD1-CD2 3.75Å; F22-F186 HydrophobicContact CD1-CD2 3.75Å; F22-F186 AromaticContact CD1-CE1 3.69Å; F22-F186 HydrophobicContact CD1-CE1 3.69Å; F22-F186 AromaticContact CD1-CE2 3.61Å; F22-F186 HydrophobicContact CD1-CE2 3.61Å; F22-F186 AromaticContact CD1-CG 3.85Å; F22-F186 HydrophobicContact CD1-CG 3.85Å; F22-F186 AromaticContact CD1-CZ 3.56Å; F22-F186 HydrophobicContact CD1-CZ 3.56Å; F22-F186 AromaticContact CE1-CD1 3.76Å; F22-F186 HydrophobicContact CE1-CD1 3.76Å; F22-F186 AromaticContact CE1-CE1 3.65Å; F22-F186 HydrophobicContact CE1-CE1 3.65Å; F22-F186 HydrophobicContact CE1-CE2 4.41Å; F22-F186 HydrophobicContact CE1-CG 4.19Å; F22-F186 AromaticContact CE1-CZ 3.99Å; F22-F186 HydrophobicContact CE1-CZ 3.99Å; F22-F186 HydrophobicContact CG-CE2 4.46Å; I26-F186 HydrophobicContact CD1-CZ 4.4Å; F72-F186 HydrophobicContact CE1-CD2 4.4Å; F72-F186 HydrophobicContact CE1-CE1 4.23Å; F72-F186 AromaticContact CE1-CE2 3.67Å; F72-F186 HydrophobicContact CE1-CE2 3.67Å; F72-F186 AromaticContact CE1-CZ 3.58Å; F72-F186 HydrophobicContact CE1-CZ 3.58Å; F72-F186 AromaticContact CZ-CD2 3.93Å; F72-F186 HydrophobicContact CZ-CD2 3.93Å; F72-F186 HydrophobicContact CZ-CE1 4.47Å; F72-F186 AromaticContact CZ-CE2 3.63Å; F72-F186 HydrophobicContact CZ-CE2 3.63Å; F72-F186 HydrophobicContact CZ-CG 4.49Å; F72-F186 AromaticContact CZ-CZ 3.95Å; F72-F186 HydrophobicContact CZ-CZ 3.95Å; I96-F186 HydrophobicContact CG2-CE1 4.35Å; F182-F186 WeakPolarHBondContact O-CB 3.44Å; F182-F186 PolarHBondContact O-N 3.33Å; F183-F186 PolarHBondContact O-N 3.24Å; F183-F186 VanDerWaalsContact O-N 3.16Å; D184-F186 VanDerWaalsContact C-N 3.3Å; D184-F186 PolarHBondContact O-N 3.1Å; F186-A189 PolarHBondContact O-N 2.98Å; F186-Y190 WeakPolarHBondContact O-CB 3.4Å; F186-Y190 PolarHBondContact O-N 3.41Å
187	F	84.3	Confident	74.6	Confident	10 Å²	10	60 Å²	60	4%	0.044	31%	0.307	C	S	.	.	H	α-helix	trans	-72.6	-37.8	-179.8	-67.2	-54.4	0	0	0	112.1	I96 L99 R100 F183 D184 A189 Y190 D191	I96-F187 HydrophobicContact CG2-CD1 4.34Å; I96-F187 HydrophobicContact CG2-CE1 4.06Å; I96-F187 WeakPolarHBondContact O-CE1 3.44Å; L99-F187 HydrophobicContact CB-CE1 4.47Å; L99-F187 HydrophobicContact CB-CZ 3.98Å; L99-F187 VanDerWaalsContact O-CZ 3.23Å; L99-F187 WeakPolarHBondContact O-CZ 3.37Å; R100-F187 HydrophobicContact CG-CD1 4.02Å; R100-F187 HydrophobicContact CG-CE1 3.98Å; R100-F187 HydrophobicContact CG-CE2 4.5Å; R100-F187 HydrophobicContact CG-CG 4.34Å; R100-F187 HydrophobicContact CG-CZ 4.25Å; F183-F187 HydrophobicContact CB-CD2 4.14Å; F183-F187 HydrophobicContact CB-CE2 3.86Å; F183-F187 HydrophobicContact CD1-CE2 4.38Å; F183-F187 HydrophobicContact CG-CE2 4.31Å; F183-F187 WeakPolarHBondContact O-CB 3.49Å; F183-F187 WeakPolarHBondContact O-CD2 3.43Å; F183-F187 WeakPolarHBondContact O-CG 3.09Å; F183-F187 PolarHBondContact O-N 3.06Å; D184-F187 PolarHBondContact O-N 3.42Å; F187-A189 VanDerWaalsContact C-N 3.32Å; F187-A189 PolarHBondContact O-N 3.46Å; F187-Y190 WeakPolarHBondContact O-CB 3.5Å; F187-Y190 PolarHBondContact O-N 3.07Å; F187-D191 WeakPolarHBondContact O-CB 3.42Å; F187-D191 VanDerWaalsContact O-CG 3.32Å; F187-D191 PolarHBondContact O-N 3.2Å
188	D	80.3	Confident	72.9	Confident	98 Å²	98	57.4 Å²	57.4	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-43.6	171.8	-75.2	-15	0	0	0	110.9	D184 D191 N192	D184-D188 VanDerWaalsContact O-CB 3.28Å; D184-D188 WeakPolarHBondContact O-CB 3.15Å; D184-D188 PolarHBondContact O-N 3.38Å; D188-D191 PolarHBondContact O-N 3.36Å; D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 PolarHBondContact O-N 3.48Å; D188-N192 PolarHBondContact O-ND2 3.28Å
189	A	75.6	Confident	71	Confident	11 Å²	11	59.4 Å²	59.4	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-40.7	176.2	0	0	0	0	0	112.3	F72 S185 F186 F187 E193 Y219	F72-A189 HydrophobicContact CE2-CB 3.73Å; F72-A189 HydrophobicContact CZ-CB 4.36Å; S185-A189 VanDerWaalsContact O-CB 3.24Å; S185-A189 WeakPolarHBondContact O-CB 3.12Å; S185-A189 PolarHBondContact O-N 2.9Å; S185-A189 VanDerWaalsContact O-N 3.12Å; F186-A189 PolarHBondContact O-N 2.98Å; F187-A189 VanDerWaalsContact C-N 3.32Å; F187-A189 PolarHBondContact O-N 3.46Å; A189-E193 PolarHBondContact O-N 3.06Å; A189-Y219 VanDerWaalsContact CB-OH 3.32Å; A189-Y219 WeakPolarHBondContact CB-OH 3.36Å
190	Y	79.5	Confident	69	Low	7 Å²	7	63.8 Å²	63.8	3%	0.027	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.3	175.9	-105.8	0	0	0	112.2	F72 L75 R93 I96 F186 F187 E193 L194	F72-Y190 AromaticContact CD1-CD2 3.67Å; F72-Y190 HydrophobicContact CD1-CD2 3.67Å; F72-Y190 AromaticContact CE1-CD2 3.83Å; F72-Y190 HydrophobicContact CE1-CD2 3.83Å; F72-Y190 HydrophobicContact CE1-CG 4.33Å; F72-Y190 HydrophobicContact CG-CD2 4.3Å; L75-Y190 HydrophobicContact CD1-CE2 3.89Å; R93-Y190 WeakPolarHBondContact CG-OH 3.24Å; I96-Y190 HydrophobicContact CD1-CD2 4.42Å; I96-Y190 HydrophobicContact CD1-CE2 3.99Å; I96-Y190 HydrophobicContact CG2-CD1 3.88Å; I96-Y190 HydrophobicContact CG2-CD2 4.16Å; I96-Y190 HydrophobicContact CG2-CE1 3.71Å; I96-Y190 HydrophobicContact CG2-CE2 4.01Å; I96-Y190 HydrophobicContact CG2-CG 4.08Å; F186-Y190 WeakPolarHBondContact O-CB 3.4Å; F186-Y190 PolarHBondContact O-N 3.41Å; F187-Y190 WeakPolarHBondContact O-CB 3.5Å; F187-Y190 PolarHBondContact O-N 3.07Å; Y190-E193 PolarHBondContact O-N 3.26Å; Y190-L194 HydrophobicContact CD1-CD1 3.8Å; Y190-L194 HydrophobicContact CD2-CD1 4.17Å; Y190-L194 HydrophobicContact CE1-CD1 3.3Å; Y190-L194 HydrophobicContact CE2-CD1 3.71Å; Y190-L194 HydrophobicContact CG-CD1 4.22Å; Y190-L194 PolarHBondContact O-N 2.65Å; Y190-L194 VanDerWaalsContact O-N 3.13Å
191	D	79.3	Confident	67.1	Low	51 Å²	51	67.4 Å²	67.4	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-69.4	-43.8	179.7	-75.9	-28.2	0	0	0	112.1	R100 F187 D188 E193 L194 C195	R100-D191 IonicContact CZ-OD1 2.76Å; R100-D191 IonicContact CZ-OD2 2.69Å; R100-D191 IonicContact NH1-OD1 3.21Å; R100-D191 IonicContact NH1-OD2 3.26Å; R100-D191 PolarHBondContact NH1-OD2 2.92Å; R100-D191 IonicContact NH2-OD1 2.87Å; R100-D191 PolarHBondContact NH2-OD1 3.49Å; R100-D191 IonicContact NH2-OD2 3.68Å; R100-D191 PolarHBondContact NH2-OD2 3.42Å; F187-D191 WeakPolarHBondContact O-CB 3.42Å; F187-D191 VanDerWaalsContact O-CG 3.32Å; F187-D191 PolarHBondContact O-N 3.2Å; D188-D191 PolarHBondContact O-N 3.36Å; D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 3.02Å; D191-L194 PolarHBondContact O-N 3.32Å; D191-L194 VanDerWaalsContact O-N 3.15Å; D191-C195 VanDerWaalsContact O-CB 3.29Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.07Å; D191-C195 PolarHBondContact O-SG 3.19Å
192	N	73.4	Confident	65.7	Low	93 Å²	93	69.2 Å²	69.2	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-41.3	174.8	-75.9	-40	0	0	0	111.7	D188 L194 C195 S196	D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 PolarHBondContact O-N 3.48Å; D188-N192 PolarHBondContact O-ND2 3.28Å; N192-L194 PolarHBondContact O-N 3.24Å; N192-C195 PolarHBondContact O-N 3.41Å; N192-S196 PolarHBondContact O-N 3.42Å; N192-S196 VanDerWaalsContact O-N 3.07Å
193	E	70.8	Confident	63.9	Low	29 Å²	29	75.5 Å²	75.5	14%	0.136	41%	0.412	C	S	.	.	H	α-helix	trans	-68.9	-34.6	178.8	-159.2	64.6	-166.7	0	0	112.5	N70 F72 K76 A189 Y190 D191 S196 H212	N70-E193 PolarHBondContact ND2-OE1 3.47Å; N70-E193 PolarHBondContact ND2-OE2 3.31Å; F72-E193 HydrophobicContact CB-CB 4.36Å; F72-E193 HydrophobicContact CB-CG 4.1Å; F72-E193 HydrophobicContact CD2-CB 4.45Å; K76-E193 WeakPolarHBondContact CE-OE1 3.26Å; K76-E193 IonicContact NZ-OE1 3.84Å; K76-E193 PolarHBondContact NZ-OE1 3.05Å; A189-E193 PolarHBondContact O-N 3.06Å; Y190-E193 PolarHBondContact O-N 3.26Å; D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 3.02Å; E193-S196 PolarHBondContact O-OG 3.37Å; E193-H212 IonicContact OE2-CE1 3.76Å
194	L	67.4	Low	62	Low	69 Å²	69	79.6 Å²	79.6	36%	0.361	43%	0.434	S	S	.	.	H	α-helix	trans	-73.9	-36.2	174.5	-88	155.3	0	0	0	113.1	Y190 D191 N192	Y190-L194 HydrophobicContact CD1-CD1 3.8Å; Y190-L194 HydrophobicContact CD2-CD1 4.17Å; Y190-L194 HydrophobicContact CE1-CD1 3.3Å; Y190-L194 HydrophobicContact CE2-CD1 3.71Å; Y190-L194 HydrophobicContact CG-CD1 4.22Å; Y190-L194 PolarHBondContact O-N 2.65Å; Y190-L194 VanDerWaalsContact O-N 3.13Å; D191-L194 PolarHBondContact O-N 3.32Å; D191-L194 VanDerWaalsContact O-N 3.15Å; N192-L194 PolarHBondContact O-N 3.24Å
195	C	56.2	Low	60.1	Low	78 Å²	78	81 Å²	81	53%	0.527	44%	0.442	S	S	.	.	H	α-helix	trans	-78.3	-19.3	-178.7	-78.2	0	0	0	0	114.2	D191 N192 R197 S198	D191-C195 VanDerWaalsContact O-CB 3.29Å; D191-C195 WeakPolarHBondContact O-CB 3.38Å; D191-C195 PolarHBondContact O-N 3.07Å; D191-C195 PolarHBondContact O-SG 3.19Å; N192-C195 PolarHBondContact O-N 3.41Å; C195-R197 PolarHBondContact O-N 3.49Å; C195-S198 PolarHBondContact O-N 2.96Å; C195-S198 VanDerWaalsContact O-N 3.09Å; C195-S198 PolarHBondContact O-OG 3.15Å
196	S	51.6	Low	58.3	Low	68 Å²	68	83.7 Å²	83.7	48%	0.476	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-5.4	174.2	65.4	0	0	0	0	114.5	N192 E193	N192-S196 PolarHBondContact O-N 3.42Å; N192-S196 VanDerWaalsContact O-N 3.07Å; E193-S196 PolarHBondContact O-OG 3.37Å
197	R	45.6	Very low	56.4	Low	182 Å²	182	88.6 Å²	88.6	69%	0.687	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-9.7	178.4	-115.7	178.3	161	163.9	1.3	116.2	D78 C195	D78-R197 IonicContact OD2-CZ 2.75Å; D78-R197 IonicContact OD2-NH1 3.99Å; D78-R197 IonicContact OD2-NH2 2.65Å; D78-R197 PolarHBondContact OD2-NH2 3.35Å; C195-R197 PolarHBondContact O-N 3.49Å
198	S	40.5	Very low	54.2	Low	81 Å²	81	92.5 Å²	92.5	57%	0.566	50%	0.498	S	S	*	.	S	Bend	trans	-110.4	-9.3	-164.3	47.8	0	0	0	0	119.1	C195	C195-S198 PolarHBondContact O-N 2.96Å; C195-S198 VanDerWaalsContact O-N 3.09Å; C195-S198 PolarHBondContact O-OG 3.15Å
199	N	34.5	Very low	52.2	Low	152 Å²	152	92.5 Å²	92.5	81%	0.813	50%	0.498	S	S	*	.			trans	-161.3	114.9	174.2	-85.6	-37.6	0	0	0	111.6
200	S	39	Very low	50.2	Low	107 Å²	107	98.9 Å²	98.9	75%	0.748	52%	0.524	S	S	*	.			trans	-112.2	91.4	177	61.6	0	0	0	0	111.5
201	N	40.3	Very low	48.1	Very low	120 Å²	120	100.8 Å²	100.8	64%	0.642	54%	0.541	S	S	*	.			trans	-88.1	134.4	153.8	-82.9	-20.3	0	0	0	108.2	E203 D204 L205	N201-E203 PolarHBondContact O-N 3.18Å; N201-D204 PolarHBondContact O-N 2.54Å; N201-D204 VanDerWaalsContact O-N 3.16Å; N201-L205 PolarHBondContact O-N 3.21Å
202	I	49.3	Very low	46.1	Very low	146 Å²	146	101.7 Å²	101.7	75%	0.749	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-25	-169.7	-65	168.2	0	0	0	112.6	L205	I202-L205 WeakPolarHBondContact O-CB 3.1Å; I202-L205 PolarHBondContact O-N 2.7Å
203	E	45.2	Very low	44.4	Very low	166 Å²	166	99.7 Å²	99.7	78%	0.776	54%	0.537	S	S	*	.	H	α-helix	trans	-76.9	-33.2	177.6	-69.8	-178.3	160.7	0	0	112.9	N201 L205 I206	N201-E203 PolarHBondContact O-N 3.18Å; E203-L205 PolarHBondContact O-N 3.37Å; E203-I206 PolarHBondContact O-N 2.83Å
204	D	44	Very low	43	Very low	86 Å²	86	104.6 Å²	104.6	46%	0.46	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-25.4	173.1	-75.1	-34	0	0	0	111.5	N201 I206 V207 Q208	N201-D204 PolarHBondContact O-N 2.54Å; N201-D204 VanDerWaalsContact O-N 3.16Å; D204-I206 VanDerWaalsContact C-N 3.33Å; D204-I206 PolarHBondContact O-N 2.84Å; D204-V207 PolarHBondContact O-N 3.11Å; D204-Q208 WeakPolarHBondContact O-CB 2.92Å; D204-Q208 VanDerWaalsContact O-CG 3.24Å; D204-Q208 WeakPolarHBondContact O-CG 3.39Å; D204-Q208 PolarHBondContact O-N 2.88Å
205	L	42.5	Very low	41.9	Very low	86 Å²	86	103.9 Å²	103.9	45%	0.45	55%	0.554	S	S	.	*	H	α-helix	trans	-65.7	-33.2	179.5	-152.1	83.6	0	0	0	112.5	N201 I202 E203 N209	N201-L205 PolarHBondContact O-N 3.21Å; I202-L205 WeakPolarHBondContact O-CB 3.1Å; I202-L205 PolarHBondContact O-N 2.7Å; E203-L205 PolarHBondContact O-N 3.37Å; L205-N209 WeakPolarHBondContact O-CB 3.15Å; L205-N209 PolarHBondContact O-N 3.27Å; L205-N209 PolarHBondContact O-ND2 2.93Å
206	I	42	Very low	41.4	Very low	117 Å²	117	108.8 Å²	108.8	60%	0.6	56%	0.561	S	S	*	*	H	α-helix	trans	-76.7	-41.8	-179.4	-60.3	176.9	0	0	0	110.3	E203 D204 N209 F210	E203-I206 PolarHBondContact O-N 2.83Å; D204-I206 VanDerWaalsContact C-N 3.33Å; D204-I206 PolarHBondContact O-N 2.84Å; I206-N209 PolarHBondContact O-N 3.09Å; I206-F210 PolarHBondContact O-N 3.1Å
207	V	42.5	Very low	41.2	Very low	104 Å²	104	107.4 Å²	107.4	63%	0.63	55%	0.548	S	S	*	.	H	α-helix	trans	-69.8	-42	176.5	-178.6	0	0	0	0	110.7	D204 F210 A211	D204-V207 PolarHBondContact O-N 3.11Å; V207-F210 PolarHBondContact O-N 3.1Å; V207-A211 WeakPolarHBondContact O-CB 3.41Å; V207-A211 PolarHBondContact O-N 3.45Å
208	Q	37.9	Very low	41.4	Very low	92 Å²	92	102.8 Å²	102.8	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-38.9	172.5	-78.4	177.3	-12	0	0	111.8	D204 F210 A211 H212	D204-Q208 WeakPolarHBondContact O-CB 2.92Å; D204-Q208 VanDerWaalsContact O-CG 3.24Å; D204-Q208 WeakPolarHBondContact O-CG 3.39Å; D204-Q208 PolarHBondContact O-N 2.88Å; Q208-F210 VanDerWaalsContact C-N 3.34Å; Q208-F210 PolarHBondContact O-N 3.45Å; Q208-A211 PolarHBondContact O-N 3.47Å; Q208-H212 WeakPolarHBondContact O-CA 3.28Å; Q208-H212 WeakPolarHBondContact O-CB 3.47Å; Q208-H212 PolarHBondContact O-CD2 2.88Å; Q208-H212 PolarHBondContact O-N 3.49Å
209	N	38.5	Very low	41.8	Very low	97 Å²	97	100.8 Å²	100.8	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-35.3	175.4	-79.1	-28.3	0	0	0	112.5	L205 I206 S213	L205-N209 WeakPolarHBondContact O-CB 3.15Å; L205-N209 PolarHBondContact O-N 3.27Å; L205-N209 PolarHBondContact O-ND2 2.93Å; I206-N209 PolarHBondContact O-N 3.09Å; N209-S213 PolarHBondContact O-N 2.96Å
210	F	33.6	Very low	42.6	Very low	146 Å²	146	97.2 Å²	97.2	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-68.9	-44.7	174.8	-131.9	-87.7	0	0	0	111.4	I206 V207 Q208 S213 F214	I206-F210 PolarHBondContact O-N 3.1Å; V207-F210 PolarHBondContact O-N 3.1Å; Q208-F210 VanDerWaalsContact C-N 3.34Å; Q208-F210 PolarHBondContact O-N 3.45Å; F210-S213 PolarHBondContact O-N 3.01Å; F210-S213 PolarHBondContact O-OG 3.3Å; F210-F214 PolarHBondContact O-N 3.1Å
211	A	36	Very low	43.4	Very low	46 Å²	46	92.2 Å²	92.2	38%	0.38	46%	0.46	S	S	.	.	H	α-helix	trans	-65.2	-41.2	174.7	0	0	0	0	0	112.2	V207 Q208 S213 F214 I215	V207-A211 WeakPolarHBondContact O-CB 3.41Å; V207-A211 PolarHBondContact O-N 3.45Å; Q208-A211 PolarHBondContact O-N 3.47Å; A211-S213 VanDerWaalsContact C-N 3.31Å; A211-S213 PolarHBondContact O-N 3.27Å; A211-F214 PolarHBondContact O-N 3.3Å; A211-I215 WeakPolarHBondContact O-CB 3.2Å; A211-I215 VanDerWaalsContact O-CG1 3.24Å; A211-I215 WeakPolarHBondContact O-CG1 3.37Å; A211-I215 PolarHBondContact O-N 2.88Å
212	H	38	Very low	44.2	Very low	70 Å²	70	88 Å²	88	32%	0.324	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-33.6	173.6	-91.9	-74.1	0	0	0	112	E193 Q208 R216	E193-H212 IonicContact OE2-CE1 3.76Å; Q208-H212 WeakPolarHBondContact O-CA 3.28Å; Q208-H212 WeakPolarHBondContact O-CB 3.47Å; Q208-H212 PolarHBondContact O-CD2 2.88Å; Q208-H212 PolarHBondContact O-N 3.49Å; H212-R216 WeakPolarHBondContact O-CB 3.31Å; H212-R216 PolarHBondContact O-N 3.5Å
213	S	37.8	Very low	44.7	Very low	51 Å²	51	82 Å²	82	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-42.6	173.6	82.1	0	0	0	0	111.3	N209 F210 A211 R216 D217	N209-S213 PolarHBondContact O-N 2.96Å; F210-S213 PolarHBondContact O-N 3.01Å; F210-S213 PolarHBondContact O-OG 3.3Å; A211-S213 VanDerWaalsContact C-N 3.31Å; A211-S213 PolarHBondContact O-N 3.27Å; S213-R216 PolarHBondContact O-N 3.13Å; S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 3.46Å
214	F	39.8	Very low	45.6	Very low	133 Å²	133	76.5 Å²	76.5	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-66.8	-41.8	177.7	-119.1	-89.4	0	0	0	112.5	F210 A211 Q218	F210-F214 PolarHBondContact O-N 3.1Å; A211-F214 PolarHBondContact O-N 3.3Å; F214-Q218 WeakPolarHBondContact O-CG 3.44Å; F214-Q218 PolarHBondContact O-N 3.23Å
215	I	45.5	Very low	46.5	Very low	53 Å²	53	74.1 Å²	74.1	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-39.2	177.3	-67.7	165.4	0	0	0	110.5	A211 Q218 Y219	A211-I215 WeakPolarHBondContact O-CB 3.2Å; A211-I215 VanDerWaalsContact O-CG1 3.24Å; A211-I215 WeakPolarHBondContact O-CG1 3.37Å; A211-I215 PolarHBondContact O-N 2.88Å; I215-Q218 WeakPolarHBondContact O-CB 3.44Å; I215-Q218 PolarHBondContact O-N 2.87Å; I215-Y219 HydrophobicContact CG2-CD2 4.14Å; I215-Y219 HydrophobicContact CG2-CE2 3.31Å; I215-Y219 WeakPolarHBondContact O-CD2 3.45Å; I215-Y219 PolarHBondContact O-N 3.1Å; I215-Y219 VanDerWaalsContact O-N 3.12Å
216	R	45.3	Very low	47.6	Very low	182 Å²	182	71.7 Å²	71.7	69%	0.687	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-38.3	177.2	-166.6	177.7	-174.4	-173	2.3	112.1	H212 S213 Y219 L220	H212-R216 WeakPolarHBondContact O-CB 3.31Å; H212-R216 PolarHBondContact O-N 3.5Å; S213-R216 PolarHBondContact O-N 3.13Å; R216-Y219 PolarHBondContact O-N 3.45Å; R216-L220 PolarHBondContact O-N 2.95Å
217	D	47.9	Very low	48.8	Very low	38 Å²	38	66.1 Å²	66.1	20%	0.203	33%	0.328	C	S	.	.	H	α-helix	trans	-75.5	-28.1	175.6	-71	-24.9	0	0	0	112.5	S213 Y219 L220 I221 L258	S213-D217 WeakPolarHBondContact O-CB 3.35Å; S213-D217 PolarHBondContact O-N 3.46Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-L220 WeakPolarHBondContact O-CB 3.45Å; D217-L220 PolarHBondContact O-N 3.22Å; D217-I221 PolarHBondContact O-N 3.5Å; D217-L258 HydrophobicContact CB-CD2 4.48Å
218	Q	50.1	Low	50.1	Low	86 Å²	86	63.5 Å²	63.5	40%	0.402	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-35.2	167.1	-83.8	179.6	-15.6	0	0	112.5	F214 I215 L220 I221 M262	F214-Q218 WeakPolarHBondContact O-CG 3.44Å; F214-Q218 PolarHBondContact O-N 3.23Å; I215-Q218 WeakPolarHBondContact O-CB 3.44Å; I215-Q218 PolarHBondContact O-N 2.87Å; Q218-L220 VanDerWaalsContact C-N 3.28Å; Q218-L220 PolarHBondContact O-N 2.88Å; Q218-I221 CarbonylContact O-C 3.6Å; Q218-I221 PolarHBondContact O-N 3.09Å; Q218-M262 HydrophobicContact CG-CE 4.16Å
219	Y	48.3	Very low	51.5	Low	38 Å²	38	62.9 Å²	62.9	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-24.8	174.1	-63.3	-49.7	0	0	0	113.7	H19 N67 A189 I215 R216 D217	H19-Y219 AromaticContact ND1-CE1 3.52Å; N67-Y219 PolarHBondContact ND2-O 3.33Å; A189-Y219 VanDerWaalsContact CB-OH 3.32Å; A189-Y219 WeakPolarHBondContact CB-OH 3.36Å; I215-Y219 HydrophobicContact CG2-CD2 4.14Å; I215-Y219 HydrophobicContact CG2-CE2 3.31Å; I215-Y219 WeakPolarHBondContact O-CD2 3.45Å; I215-Y219 PolarHBondContact O-N 3.1Å; I215-Y219 VanDerWaalsContact O-N 3.12Å; R216-Y219 PolarHBondContact O-N 3.45Å; D217-Y219 VanDerWaalsContact C-N 3.32Å
220	L	51.2	Low	53	Low	78 Å²	78	59.2 Å²	59.2	41%	0.408	29%	0.29	S	S	.	.	H	α-helix	trans	-73	-30.5	176.9	-91.5	138.1	0	0	0	112.5	R216 D217 Q218 I230	R216-L220 PolarHBondContact O-N 2.95Å; D217-L220 WeakPolarHBondContact O-CB 3.45Å; D217-L220 PolarHBondContact O-N 3.22Å; Q218-L220 VanDerWaalsContact C-N 3.28Å; Q218-L220 PolarHBondContact O-N 2.88Å; L220-I230 WeakPolarHBondContact O-CD1 3.5Å
221	I	55.6	Low	55.1	Low	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	55.9	178.5	-37.7	-168.8	0	0	0	110.4	D217 Q218 A227 I230 L255 L258 A259 Y263	D217-I221 PolarHBondContact O-N 3.5Å; Q218-I221 CarbonylContact O-C 3.6Å; Q218-I221 PolarHBondContact O-N 3.09Å; I221-A227 HydrophobicContact CG2-CB 3.65Å; I221-I230 HydrophobicContact CD1-CD1 4.2Å; I221-I230 HydrophobicContact CG1-CD1 3.68Å; I221-L255 HydrophobicContact CD1-CB 4.42Å; I221-L255 HydrophobicContact CD1-CD2 3.98Å; I221-L255 WeakPolarHBondContact CD1-O 3.1Å; I221-L255 HydrophobicContact CG1-CD2 4.37Å; I221-L258 HydrophobicContact CD1-CB 4.19Å; I221-L258 HydrophobicContact CD1-CD2 3.9Å; I221-L258 HydrophobicContact CD1-CG 4.19Å; I221-L258 HydrophobicContact CG1-CD2 4.17Å; I221-A259 HydrophobicContact CD1-CB 4.11Å; I221-Y263 HydrophobicContact CG2-CD2 4.41Å; I221-Y263 HydrophobicContact CG2-CE2 4.11Å
222	S	57	Low	56.8	Low	33 Å²	33	51.7 Å²	51.7	23%	0.231	25%	0.253	C	S	.	.			trans	-85.2	-15.9	-178.1	67.2	0	0	0	0	114.1	N67 Q226 Y263	N67-S222 PolarHBondContact ND2-OG 3.3Å; N67-S222 VanDerWaalsContact ND2-OG 3.14Å; S222-Q226 PolarHBondContact OG-OE1 2.82Å; S222-Y263 VanDerWaalsContact C-OH 3.3Å; S222-Y263 PolarHBondContact O-OH 3.36Å; S222-Y263 VanDerWaalsContact O-OH 3.05Å
223	T	60.3	Low	58.5	Low	18 Å²	18	53.4 Å²	53.4	11%	0.11	26%	0.261	C	S	.	.	S	Bend	trans	-134	156.2	179.7	61.6	0	0	0	0	111.9	D15 T18 N225 Q226 A227 Y263	D15-T223 WeakPolarHBondContact O-CG2 3.15Å; T18-T223 HydrophobicContact CG2-CG2 3.35Å; T223-N225 PolarHBondContact O-N 3.5Å; T223-Q226 PolarHBondContact O-N 3.23Å; T223-Q226 VanDerWaalsContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.48Å; T223-Q226 VanDerWaalsContact OG1-CD 3.24Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.41Å; T223-Q226 PolarHBondContact OG1-N 2.91Å; T223-Q226 VanDerWaalsContact OG1-N 3.13Å; T223-A227 PolarHBondContact O-N 3.18Å; T223-Y263 VanDerWaalsContact CA-OH 3.3Å; T223-Y263 WeakPolarHBondContact CA-OH 3.25Å; T223-Y263 PolarHBondContact N-OH 3.48Å
224	R	63.8	Low	60.4	Low	52 Å²	52	51 Å²	51	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-53.4	-40.8	170.8	-169	177.6	-178	124.5	5	112.2	D15 A227 L228 Y263 V266	D15-R224 VanDerWaalsContact OD2-CB 3.3Å; D15-R224 WeakPolarHBondContact OD2-CB 3.09Å; R224-A227 WeakPolarHBondContact O-CB 3.49Å; R224-A227 PolarHBondContact O-N 3.39Å; R224-L228 WeakPolarHBondContact O-CG 3.49Å; R224-L228 PolarHBondContact O-N 2.62Å; R224-Y263 HydrophobicContact CB-CD1 4.48Å; R224-Y263 HydrophobicContact CB-CE1 4.4Å; R224-V266 HydrophobicContact CG-CG2 3.6Å
225	N	63.6	Low	62	Low	35 Å²	35	45.6 Å²	45.6	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-34.6	178.5	-78.9	-23.2	0	0	0	113.1	E10 T223 L228 D229	E10-N225 PolarHBondContact OE1-ND2 2.87Å; T223-N225 PolarHBondContact O-N 3.5Å; N225-L228 WeakPolarHBondContact O-CB 3.28Å; N225-L228 PolarHBondContact O-N 3.34Å; N225-D229 WeakPolarHBondContact O-CB 3.41Å; N225-D229 PolarHBondContact O-N 3.24Å
226	Q	64.3	Low	63.3	Low	36 Å²	36	45.6 Å²	45.6	17%	0.168	22%	0.221	C	C	.	.	H	α-helix	trans	-69.9	-39.1	172.8	-74.7	163.2	3.2	0	0	112	N67 S222 T223 L228 D229 I230	N67-Q226 PolarHBondContact ND2-NE2 3.45Å; N67-Q226 PolarHBondContact ND2-OE1 2.92Å; N67-Q226 PolarHBondContact OD1-NE2 3.38Å; S222-Q226 PolarHBondContact OG-OE1 2.82Å; T223-Q226 PolarHBondContact O-N 3.23Å; T223-Q226 VanDerWaalsContact O-N 3.1Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.48Å; T223-Q226 VanDerWaalsContact OG1-CD 3.24Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.41Å; T223-Q226 PolarHBondContact OG1-N 2.91Å; T223-Q226 VanDerWaalsContact OG1-N 3.13Å; Q226-L228 VanDerWaalsContact C-N 3.26Å; Q226-L228 PolarHBondContact O-N 3.33Å; Q226-D229 PolarHBondContact O-N 3.21Å; Q226-I230 WeakPolarHBondContact O-CB 3.27Å; Q226-I230 VanDerWaalsContact O-CG1 3.29Å; Q226-I230 WeakPolarHBondContact O-CG1 3.34Å; Q226-I230 PolarHBondContact O-N 3.15Å
227	A	67.7	Low	64.7	Low	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-41.7	171.6	0	0	0	0	0	111	I221 T223 R224 C231 A259 Y263	I221-A227 HydrophobicContact CG2-CB 3.65Å; T223-A227 PolarHBondContact O-N 3.18Å; R224-A227 WeakPolarHBondContact O-CB 3.49Å; R224-A227 PolarHBondContact O-N 3.39Å; A227-C231 VanDerWaalsContact O-CB 3.24Å; A227-C231 WeakPolarHBondContact O-CB 3.3Å; A227-C231 PolarHBondContact O-N 3.11Å; A227-C231 PolarHBondContact O-SG 3.12Å; A227-A259 HydrophobicContact CB-CB 4.39Å; A227-Y263 HydrophobicContact CB-CD2 3.93Å; A227-Y263 HydrophobicContact CB-CE2 4.36Å
228	L	69.8	Low	65.6	Low	49 Å²	49	36 Å²	36	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-44.8	175	-71.6	174.5	0	0	0	113.1	R224 N225 Q226 C231 S232 V266 Y268	R224-L228 WeakPolarHBondContact O-CG 3.49Å; R224-L228 PolarHBondContact O-N 2.62Å; N225-L228 WeakPolarHBondContact O-CB 3.28Å; N225-L228 PolarHBondContact O-N 3.34Å; Q226-L228 VanDerWaalsContact C-N 3.26Å; Q226-L228 PolarHBondContact O-N 3.33Å; L228-C231 PolarHBondContact O-N 3.29Å; L228-S232 WeakPolarHBondContact O-CB 3.49Å; L228-S232 PolarHBondContact O-N 3.34Å; L228-S232 PolarHBondContact O-OG 3.38Å; L228-V266 HydrophobicContact CD2-CG1 3.52Å; L228-V266 HydrophobicContact CG-CG1 4.19Å; L228-Y268 VanDerWaalsContact CD2-CB 3.45Å; L228-Y268 HydrophobicContact CD2-CD1 4Å; L228-Y268 HydrophobicContact CD2-CG 3.97Å
229	D	67.5	Low	66.4	Low	79 Å²	79	32 Å²	32	42%	0.422	17%	0.165	S	C	.	.	H	α-helix	trans	-64.1	-43.9	179.4	-71.8	-22.6	0	0	0	110.2	K6 N225 Q226 S232 E233	K6-D229 IonicContact NZ-OD1 3.74Å; K6-D229 PolarHBondContact NZ-OD1 3.37Å; K6-D229 IonicContact NZ-OD2 2.97Å; K6-D229 PolarHBondContact NZ-OD2 2.84Å; N225-D229 WeakPolarHBondContact O-CB 3.41Å; N225-D229 PolarHBondContact O-N 3.24Å; Q226-D229 PolarHBondContact O-N 3.21Å; D229-S232 WeakPolarHBondContact O-CB 3.31Å; D229-S232 PolarHBondContact O-N 2.56Å; D229-E233 PolarHBondContact O-N 3.46Å
230	I	70.6	Confident	67.5	Low	19 Å²	19	32.2 Å²	32.2	10%	0.097	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-45.6	174.7	-70.1	166.2	0	0	0	111.1	L220 I221 Q226 S232 E233 I234 L255	L220-I230 WeakPolarHBondContact O-CD1 3.5Å; I221-I230 HydrophobicContact CD1-CD1 4.2Å; I221-I230 HydrophobicContact CG1-CD1 3.68Å; Q226-I230 WeakPolarHBondContact O-CB 3.27Å; Q226-I230 VanDerWaalsContact O-CG1 3.29Å; Q226-I230 WeakPolarHBondContact O-CG1 3.34Å; Q226-I230 PolarHBondContact O-N 3.15Å; I230-S232 PolarHBondContact O-N 2.63Å; I230-E233 PolarHBondContact O-N 2.83Å; I230-I234 HydrophobicContact CG2-CD1 3.75Å; I230-I234 HydrophobicContact CG2-CG1 4.33Å; I230-I234 WeakPolarHBondContact O-CB 3.38Å; I230-I234 WeakPolarHBondContact O-CG1 3.45Å; I230-I234 PolarHBondContact O-N 2.88Å; I230-L255 HydrophobicContact CG2-CB 4.37Å; I230-L255 HydrophobicContact CG2-CD1 4.38Å
231	C	75.9	Confident	68.3	Low	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-35.8	176.1	-73.3	0	0	0	0	111.4	A227 L228 I234 I235 Y268 A272	A227-C231 VanDerWaalsContact O-CB 3.24Å; A227-C231 WeakPolarHBondContact O-CB 3.3Å; A227-C231 PolarHBondContact O-N 3.11Å; A227-C231 PolarHBondContact O-SG 3.12Å; L228-C231 PolarHBondContact O-N 3.29Å; C231-I234 PolarHBondContact O-N 3.34Å; C231-I235 WeakPolarHBondContact O-CB 3.06Å; C231-I235 WeakPolarHBondContact O-CD1 3.31Å; C231-I235 VanDerWaalsContact O-CG1 3.24Å; C231-I235 WeakPolarHBondContact O-CG1 3.3Å; C231-I235 PolarHBondContact O-N 3.01Å; C231-Y268 HydrophobicContact CB-CD1 3.5Å; C231-Y268 HydrophobicContact CB-CE1 3.92Å; C231-A272 HydrophobicContact CB-CB 3.95Å
232	S	72.5	Confident	68.5	Low	35 Å²	35	29.1 Å²	29.1	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-45.3	176.7	-60.3	0	0	0	0	111.1	L228 D229 I230 I234 I235 D236 Y268	L228-S232 WeakPolarHBondContact O-CB 3.49Å; L228-S232 PolarHBondContact O-N 3.34Å; L228-S232 PolarHBondContact O-OG 3.38Å; D229-S232 WeakPolarHBondContact O-CB 3.31Å; D229-S232 PolarHBondContact O-N 2.56Å; I230-S232 PolarHBondContact O-N 2.63Å; S232-I234 VanDerWaalsContact C-N 3.27Å; S232-I234 PolarHBondContact O-N 3.22Å; S232-I235 PolarHBondContact O-N 2.9Å; S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 PolarHBondContact O-N 3.45Å; S232-Y268 WeakPolarHBondContact OG-CE1 3.31Å; S232-Y268 PolarHBondContact OG-OH 3.06Å
233	E	74.8	Confident	68.5	Low	105 Å²	105	28.4 Å²	28.4	49%	0.491	15%	0.15	S	C	.	.	H	α-helix	trans	-59.4	-41.6	174.5	-170.2	-167.1	155.7	0	0	111.3	D229 I230 D236 S237	D229-E233 PolarHBondContact O-N 3.46Å; I230-E233 PolarHBondContact O-N 2.83Å; E233-D236 PolarHBondContact O-N 2.95Å; E233-S237 WeakPolarHBondContact O-CB 3.38Å; E233-S237 PolarHBondContact O-N 3.04Å; E233-S237 PolarHBondContact O-OG 3.48Å
234	I	75.9	Confident	68.9	Low	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-50.8	176.3	-72.7	174.1	0	0	0	109.8	I230 C231 S232 D236 S237 I238 Y252 L256	I230-I234 HydrophobicContact CG2-CD1 3.75Å; I230-I234 HydrophobicContact CG2-CG1 4.33Å; I230-I234 WeakPolarHBondContact O-CB 3.38Å; I230-I234 WeakPolarHBondContact O-CG1 3.45Å; I230-I234 PolarHBondContact O-N 2.88Å; C231-I234 PolarHBondContact O-N 3.34Å; S232-I234 VanDerWaalsContact C-N 3.27Å; S232-I234 PolarHBondContact O-N 3.22Å; I234-D236 VanDerWaalsContact C-N 3.33Å; I234-D236 PolarHBondContact O-N 3.29Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 PolarHBondContact O-N 3.06Å; I234-S237 VanDerWaalsContact O-N 3.12Å; I234-I238 HydrophobicContact CG2-CD1 3.33Å; I234-I238 HydrophobicContact CG2-CG1 4.01Å; I234-I238 WeakPolarHBondContact O-CB 3.44Å; I234-I238 WeakPolarHBondContact O-CD1 3.15Å; I234-I238 WeakPolarHBondContact O-CG1 3.25Å; I234-I238 PolarHBondContact O-N 2.73Å; I234-Y252 HydrophobicContact CD1-CD1 3.96Å; I234-Y252 HydrophobicContact CD1-CG 4.27Å; I234-Y252 HydrophobicContact CG1-CD1 3.63Å; I234-Y252 HydrophobicContact CG1-CE1 3.9Å; I234-Y252 HydrophobicContact CG1-CG 3.94Å; I234-L256 HydrophobicContact CD1-CD1 4.44Å; I234-L256 HydrophobicContact CD1-CD2 3.93Å; I234-L256 HydrophobicContact CD1-CG 3.8Å; I234-L256 HydrophobicContact CG2-CD1 4.16Å; I234-L256 HydrophobicContact CG2-CD2 4.44Å
235	I	75	Confident	68.6	Low	20 Å²	20	33.5 Å²	33.5	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-43.6	177.5	-70.9	159.4	0	0	0	111.6	C231 S232 S237 I238 Y268 Y271 A272	C231-I235 WeakPolarHBondContact O-CB 3.06Å; C231-I235 WeakPolarHBondContact O-CD1 3.31Å; C231-I235 VanDerWaalsContact O-CG1 3.24Å; C231-I235 WeakPolarHBondContact O-CG1 3.3Å; C231-I235 PolarHBondContact O-N 3.01Å; S232-I235 PolarHBondContact O-N 2.9Å; I235-S237 VanDerWaalsContact C-N 3.26Å; I235-S237 PolarHBondContact O-N 3.37Å; I235-I238 PolarHBondContact O-N 3.21Å; I235-Y268 HydrophobicContact CD1-CD1 4.17Å; I235-Y268 HydrophobicContact CD1-CE1 3.47Å; I235-Y268 VanDerWaalsContact CD1-CE1 3.47Å; I235-Y268 HydrophobicContact CD1-CE2 3.96Å; I235-Y268 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y271 HydrophobicContact CD1-CD1 3.7Å; I235-Y271 HydrophobicContact CD1-CE1 4.18Å; I235-Y271 HydrophobicContact CG1-CD1 4.47Å; I235-A272 HydrophobicContact CD1-CB 3.82Å; I235-A272 HydrophobicContact CG1-CB 3.8Å
236	D	72.9	Confident	68.6	Low	53 Å²	53	39.3 Å²	39.3	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-69	-25.8	178.7	-81.4	-25.7	0	0	0	112.9	S232 E233 I234 K240	S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 PolarHBondContact O-N 3.45Å; E233-D236 PolarHBondContact O-N 2.95Å; I234-D236 VanDerWaalsContact C-N 3.33Å; I234-D236 PolarHBondContact O-N 3.29Å; D236-K240 WeakPolarHBondContact O-CD 3.32Å; D236-K240 VanDerWaalsContact O-CE 3.28Å; D236-K240 WeakPolarHBondContact O-CE 3.32Å
237	S	72.9	Confident	68.7	Low	2 Å²	2	39 Å²	39	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-87.1	-28.6	176.6	-60.8	0	0	0	0	112.5	E233 I234 I235 G239 K240 Y252	E233-S237 WeakPolarHBondContact O-CB 3.38Å; E233-S237 PolarHBondContact O-N 3.04Å; E233-S237 PolarHBondContact O-OG 3.48Å; I234-S237 CarbonylContact O-C 3.56Å; I234-S237 PolarHBondContact O-N 3.06Å; I234-S237 VanDerWaalsContact O-N 3.12Å; I235-S237 VanDerWaalsContact C-N 3.26Å; I235-S237 PolarHBondContact O-N 3.37Å; S237-G239 PolarHBondContact O-N 3.29Å; S237-K240 PolarHBondContact O-N 3.4Å; S237-Y252 PolarHBondContact OG-OH 3.23Å
238	I	68.7	Low	68.7	Low	18 Å²	18	43.1 Å²	43.1	9%	0.092	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	102	175.1	-75	166.8	0	0	0	108.1	I234 I235 A275 Y276 Q279	I234-I238 HydrophobicContact CG2-CD1 3.33Å; I234-I238 HydrophobicContact CG2-CG1 4.01Å; I234-I238 WeakPolarHBondContact O-CB 3.44Å; I234-I238 WeakPolarHBondContact O-CD1 3.15Å; I234-I238 WeakPolarHBondContact O-CG1 3.25Å; I234-I238 PolarHBondContact O-N 2.73Å; I235-I238 PolarHBondContact O-N 3.21Å; I238-A275 HydrophobicContact CD1-CB 4.28Å; I238-A275 HydrophobicContact CG2-CB 4.26Å; I238-Y276 HydrophobicContact CD1-CD2 4.18Å; I238-Y276 HydrophobicContact CD1-CG 4.49Å; I238-Y276 HydrophobicContact CG1-CD2 4.35Å; I238-Q279 HydrophobicContact CG2-CB 4.47Å; I238-Q279 HydrophobicContact CG2-CG 3.39Å
239	G	65.3	Low	68.7	Low	1 Å²	1	42.3 Å²	42.3	1%	0.01	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.8	-9.7	-175.2	0	0	0	0	0	114.9	S237 R497 S499 D500	S237-G239 PolarHBondContact O-N 3.29Å; G239-R497 CarbonylContact C-O 3.55Å; G239-R497 WeakPolarHBondContact CA-O 3.42Å; G239-R497 CarbonylContact O-C 3.26Å; G239-S499 WeakPolarHBondContact O-CB 3.4Å; G239-S499 PolarHBondContact O-N 3.4Å; G239-D500 PolarHBondContact O-N 3.47Å
240	K	73.1	Confident	69	Low	42 Å²	42	45.2 Å²	45.2	18%	0.183	24%	0.235	C	C	.	.			trans	-103.2	9.2	170.1	-67	-177.2	-171.1	169.6	0	112.9	D236 S237 G242 G243 R244 P495 C496	D236-K240 WeakPolarHBondContact O-CD 3.32Å; D236-K240 VanDerWaalsContact O-CE 3.28Å; D236-K240 WeakPolarHBondContact O-CE 3.32Å; S237-K240 PolarHBondContact O-N 3.4Å; K240-G242 PolarHBondContact O-N 2.88Å; K240-G242 VanDerWaalsContact O-N 3.17Å; K240-G243 PolarHBondContact O-N 3.46Å; K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 PolarHBondContact O-N 3.39Å; K240-P495 HydrophobicContact CB-CB 4.08Å; K240-P495 HydrophobicContact CB-CG 4.33Å; K240-P495 HydrophobicContact CD-CB 4.38Å; K240-P495 HydrophobicContact CD-CG 4.24Å; K240-P495 WeakPolarHBondContact CD-O 3.23Å; K240-P495 VanDerWaalsContact CE-O 3.27Å; K240-P495 WeakPolarHBondContact CE-O 3.36Å; K240-P495 HydrophobicContact CG-CB 4.09Å; K240-P495 HydrophobicContact CG-CG 4.43Å; K240-C496 VanDerWaalsContact CG-O 3.27Å; K240-C496 WeakPolarHBondContact CG-O 3.45Å
241	I	67.5	Low	69.1	Low	8 Å²	8	48.7 Å²	48.7	4%	0.041	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.2	-177.4	-60.8	155	0	0	0	108.8	R244 L249 D500 R536 F537	I241-R244 CarbonylContact O-C 3.58Å; I241-R244 VanDerWaalsContact O-C 3.26Å; I241-R244 PolarHBondContact O-N 3.28Å; I241-L249 HydrophobicContact CD1-CD2 3.65Å; I241-L249 HydrophobicContact CG1-CD2 4.16Å; I241-L249 HydrophobicContact CG2-CD1 4.36Å; I241-D500 PolarHBondContact N-OD1 3.33Å; I241-R536 HydrophobicContact CG2-CB 4.02Å; I241-F537 VanDerWaalsContact C-CZ 3.41Å; I241-F537 HydrophobicContact CB-CD1 4.32Å; I241-F537 HydrophobicContact CB-CE1 3.55Å; I241-F537 HydrophobicContact CB-CZ 4.41Å; I241-F537 HydrophobicContact CG2-CD1 4.28Å; I241-F537 HydrophobicContact CG2-CE1 3.5Å; I241-F537 VanDerWaalsContact CG2-CE1 3.5Å; I241-F537 HydrophobicContact CG2-CZ 4.11Å
242	G	59.9	Low	69.1	Low	7 Å²	7	49.6 Å²	49.6	7%	0.072	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45	-72	171.3	0	0	0	0	0	113	K240 R244 D500	K240-G242 PolarHBondContact O-N 2.88Å; K240-G242 VanDerWaalsContact O-N 3.17Å; G242-R244 PolarHBondContact O-N 3.46Å; G242-D500 WeakPolarHBondContact CA-OD1 3.32Å; G242-D500 PolarHBondContact N-OD1 2.86Å
243	G	57.4	Low	69.3	Low	17 Å²	17	50.3 Å²	50.3	18%	0.175	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.3	177.7	0	0	0	0	0	114.6	K240 S499	K240-G243 PolarHBondContact O-N 3.46Å; G243-S499 PolarHBondContact N-OG 2.88Å
244	R	67	Low	69.4	Low	113 Å²	113	50.8 Å²	50.8	43%	0.426	26%	0.256	S	S	.	.			trans	-128.5	67.5	-180	-66.4	-175.4	176.3	-172.9	-1.9	112.5	K240 I241 G242 N246 L247 P495	K240-R244 WeakPolarHBondContact O-CB 3.5Å; K240-R244 PolarHBondContact O-N 3.39Å; I241-R244 CarbonylContact O-C 3.58Å; I241-R244 VanDerWaalsContact O-C 3.26Å; I241-R244 PolarHBondContact O-N 3.28Å; G242-R244 PolarHBondContact O-N 3.46Å; R244-N246 PolarHBondContact O-N 3.16Å; R244-L247 HydrophobicContact CB-CD1 3.4Å; R244-L247 HydrophobicContact CB-CG 3.89Å; R244-L247 HydrophobicContact CG-CD1 4.27Å; R244-L247 WeakPolarHBondContact O-CB 3.48Å; R244-L247 PolarHBondContact O-N 3.04Å; R244-L247 VanDerWaalsContact O-N 3.15Å; R244-P495 HydrophobicContact CG-CG 4.24Å
245	P	59.1	Low	69.3	Low	64 Å²	64	51.5 Å²	51.5	42%	0.416	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.4	-176.4	27.1	-36.1	0	0	0	114.3	R536	P245-R536 VanDerWaalsContact O-CZ 3.3Å; P245-R536 PolarHBondContact O-NH1 3.35Å
246	N	62.8	Low	69.5	Low	158 Å²	158	50.7 Å²	50.7	85%	0.845	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.3	178.6	-65	-21.6	0	0	0	113.8	R244 N248	R244-N246 PolarHBondContact O-N 3.16Å; N246-N248 PolarHBondContact O-N 3.31Å
247	L	65.7	Low	69.9	Low	28 Å²	28	52.9 Å²	52.9	15%	0.147	27%	0.267	C	S	.	.			trans	-72.2	117.5	-178.3	-78.7	168.8	0	0	0	113.2	R244 L249 Y252 R536	R244-L247 HydrophobicContact CB-CD1 3.4Å; R244-L247 HydrophobicContact CB-CG 3.89Å; R244-L247 HydrophobicContact CG-CD1 4.27Å; R244-L247 WeakPolarHBondContact O-CB 3.48Å; R244-L247 PolarHBondContact O-N 3.04Å; R244-L247 VanDerWaalsContact O-N 3.15Å; L247-L249 PolarHBondContact O-N 2.91Å; L247-Y252 HydrophobicContact CD2-CE2 4.01Å; L247-Y252 WeakPolarHBondContact CD2-OH 3.27Å; L247-R536 PolarHBondContact O-NH1 2.94Å
248	N	68.5	Low	70	Confident	87 Å²	87	54.1 Å²	54.1	47%	0.465	27%	0.273	S	S	.	.			trans	-80.1	99.5	176.2	-170.7	-7.1	0	0	0	111.6	N246 Q250 K251	N246-N248 PolarHBondContact O-N 3.31Å; N248-Q250 PolarHBondContact O-N 3.24Å; N248-Q250 WeakPolarHBondContact OD1-CB 3.41Å; N248-Q250 PolarHBondContact OD1-N 3.08Å; N248-Q250 VanDerWaalsContact OD1-N 3.11Å; N248-K251 HydrophobicContact CB-CB 4.28Å; N248-K251 WeakPolarHBondContact O-CB 3.42Å; N248-K251 PolarHBondContact O-N 3.08Å
249	L	69.1	Low	70.3	Confident	33 Å²	33	53.3 Å²	53.3	17%	0.173	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-23.6	179.6	-73.7	165.4	0	0	0	114.5	I241 L247 N253 Y276 R536	I241-L249 HydrophobicContact CD1-CD2 3.65Å; I241-L249 HydrophobicContact CG1-CD2 4.16Å; I241-L249 HydrophobicContact CG2-CD1 4.36Å; L247-L249 PolarHBondContact O-N 2.91Å; L249-N253 PolarHBondContact O-N 2.99Å; L249-Y276 HydrophobicContact CD2-CE2 4.05Å; L249-Y276 PolarHBondContact O-OH 2.83Å; L249-R536 HydrophobicContact CD1-CB 3.84Å; L249-R536 HydrophobicContact CD1-CG 4.24Å
250	Q	73.6	Confident	70.9	Confident	139 Å²	139	54.9 Å²	54.9	65%	0.65	28%	0.276	S	S	*	.	H	α-helix	trans	-69.5	-42	176.3	-71	177	-26.6	0	0	110.5	N248 Y252 N253 E254	N248-Q250 PolarHBondContact O-N 3.24Å; N248-Q250 WeakPolarHBondContact OD1-CB 3.41Å; N248-Q250 PolarHBondContact OD1-N 3.08Å; N248-Q250 VanDerWaalsContact OD1-N 3.11Å; Q250-Y252 VanDerWaalsContact C-N 3.28Å; Q250-Y252 PolarHBondContact O-N 3.21Å; Q250-N253 WeakPolarHBondContact O-CB 3.26Å; Q250-N253 PolarHBondContact O-N 3.42Å; Q250-E254 PolarHBondContact O-N 3.43Å
251	K	73.8	Confident	71.1	Confident	92 Å²	92	61.3 Å²	61.3	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-39.7	176.4	-169.8	176.9	-176.8	179.4	0	112	N248 N253 E254 L255	N248-K251 HydrophobicContact CB-CB 4.28Å; N248-K251 WeakPolarHBondContact O-CB 3.42Å; N248-K251 PolarHBondContact O-N 3.08Å; K251-N253 PolarHBondContact O-N 2.9Å; K251-E254 PolarHBondContact O-N 3.41Å; K251-L255 HydrophobicContact CG-CD1 4.09Å; K251-L255 HydrophobicContact CG-CG 4.4Å; K251-L255 WeakPolarHBondContact O-CB 3.46Å; K251-L255 VanDerWaalsContact O-CG 3.27Å; K251-L255 WeakPolarHBondContact O-CG 3.3Å; K251-L255 PolarHBondContact O-N 3.49Å
252	Y	74.7	Confident	71.2	Confident	20 Å²	20	64.9 Å²	64.9	8%	0.078	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-36.3	175.6	-70.2	-25.8	0	0	0	113.4	I234 S237 L247 Q250 L255 L256	I234-Y252 HydrophobicContact CD1-CD1 3.96Å; I234-Y252 HydrophobicContact CD1-CG 4.27Å; I234-Y252 HydrophobicContact CG1-CD1 3.63Å; I234-Y252 HydrophobicContact CG1-CE1 3.9Å; I234-Y252 HydrophobicContact CG1-CG 3.94Å; S237-Y252 PolarHBondContact OG-OH 3.23Å; L247-Y252 HydrophobicContact CD2-CE2 4.01Å; L247-Y252 WeakPolarHBondContact CD2-OH 3.27Å; Q250-Y252 VanDerWaalsContact C-N 3.28Å; Q250-Y252 PolarHBondContact O-N 3.21Å; Y252-L255 HydrophobicContact CD1-CD1 4.42Å; Y252-L256 WeakPolarHBondContact O-CB 3.33Å; Y252-L256 VanDerWaalsContact O-CG 3.24Å; Y252-L256 WeakPolarHBondContact O-CG 3.44Å; Y252-L256 PolarHBondContact O-N 3.29Å
253	N	77.3	Confident	71.8	Confident	50 Å²	50	66.9 Å²	66.9	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-42.3	174.9	-167.8	45.6	0	0	0	111.3	L249 Q250 K251 L256 L257 Y276	L249-N253 PolarHBondContact O-N 2.99Å; Q250-N253 WeakPolarHBondContact O-CB 3.26Å; Q250-N253 PolarHBondContact O-N 3.42Å; K251-N253 PolarHBondContact O-N 2.9Å; N253-L256 PolarHBondContact O-N 3.27Å; N253-L257 WeakPolarHBondContact O-CB 3.08Å; N253-L257 WeakPolarHBondContact O-CD1 3.44Å; N253-L257 VanDerWaalsContact O-CG 3.25Å; N253-L257 WeakPolarHBondContact O-CG 3.23Å; N253-L257 PolarHBondContact O-N 3.31Å; N253-Y276 HydrophobicContact CB-CE1 4.21Å
254	E	77.6	Confident	72.5	Confident	115 Å²	115	69.6 Å²	69.6	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-46.3	176.4	-70.1	167.7	178.9	0	0	111.6	Q250 K251 L256 L257 L258	Q250-E254 PolarHBondContact O-N 3.43Å; K251-E254 PolarHBondContact O-N 3.41Å; E254-L256 PolarHBondContact O-N 3.43Å; E254-L257 PolarHBondContact O-N 3.28Å; E254-L258 WeakPolarHBondContact O-CB 3.34Å; E254-L258 PolarHBondContact O-N 3.02Å
255	L	74.3	Confident	72.7	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-40.2	176.7	-70.6	171.5	0	0	0	112.3	I221 I230 K251 Y252 L258 A259	I221-L255 HydrophobicContact CD1-CB 4.42Å; I221-L255 HydrophobicContact CD1-CD2 3.98Å; I221-L255 WeakPolarHBondContact CD1-O 3.1Å; I221-L255 HydrophobicContact CG1-CD2 4.37Å; I230-L255 HydrophobicContact CG2-CB 4.37Å; I230-L255 HydrophobicContact CG2-CD1 4.38Å; K251-L255 HydrophobicContact CG-CD1 4.09Å; K251-L255 HydrophobicContact CG-CG 4.4Å; K251-L255 WeakPolarHBondContact O-CB 3.46Å; K251-L255 VanDerWaalsContact O-CG 3.27Å; K251-L255 WeakPolarHBondContact O-CG 3.3Å; K251-L255 PolarHBondContact O-N 3.49Å; Y252-L255 HydrophobicContact CD1-CD1 4.42Å; L255-L258 PolarHBondContact O-N 3.02Å; L255-A259 VanDerWaalsContact O-CB 3.29Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.38Å
256	L	77.8	Confident	73.4	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-66.3	-41.8	175.6	-75.7	171.1	0	0	0	112	I234 Y252 N253 E254 L258 A259 K260 A272 Y276	I234-L256 HydrophobicContact CD1-CD1 4.44Å; I234-L256 HydrophobicContact CD1-CD2 3.93Å; I234-L256 HydrophobicContact CD1-CG 3.8Å; I234-L256 HydrophobicContact CG2-CD1 4.16Å; I234-L256 HydrophobicContact CG2-CD2 4.44Å; Y252-L256 WeakPolarHBondContact O-CB 3.33Å; Y252-L256 VanDerWaalsContact O-CG 3.24Å; Y252-L256 WeakPolarHBondContact O-CG 3.44Å; Y252-L256 PolarHBondContact O-N 3.29Å; N253-L256 PolarHBondContact O-N 3.27Å; E254-L256 PolarHBondContact O-N 3.43Å; L256-L258 VanDerWaalsContact C-N 3.35Å; L256-A259 PolarHBondContact O-N 2.68Å; L256-K260 WeakPolarHBondContact O-CB 3.21Å; L256-K260 WeakPolarHBondContact O-CG 3.45Å; L256-K260 PolarHBondContact O-N 2.93Å; L256-A272 HydrophobicContact CD2-CB 3.63Å; L256-Y276 HydrophobicContact CD1-CD1 4.48Å; L256-Y276 HydrophobicContact CD1-CG 4.28Å
257	L	81.6	Confident	74	Confident	100 Å²	100	61.1 Å²	61.1	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.9	-75.5	165.2	0	0	0	111.2	N253 E254 K261	N253-L257 WeakPolarHBondContact O-CB 3.08Å; N253-L257 WeakPolarHBondContact O-CD1 3.44Å; N253-L257 VanDerWaalsContact O-CG 3.25Å; N253-L257 WeakPolarHBondContact O-CG 3.23Å; N253-L257 PolarHBondContact O-N 3.31Å; E254-L257 PolarHBondContact O-N 3.28Å; L257-K261 WeakPolarHBondContact O-CB 3.28Å; L257-K261 PolarHBondContact O-N 2.84Å
258	L	76.1	Confident	74.4	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-46.9	175.3	-172.7	68.1	0	0	0	111.1	D217 I221 E254 L255 L256 K260 K261 M262	D217-L258 HydrophobicContact CB-CD2 4.48Å; I221-L258 HydrophobicContact CD1-CB 4.19Å; I221-L258 HydrophobicContact CD1-CD2 3.9Å; I221-L258 HydrophobicContact CD1-CG 4.19Å; I221-L258 HydrophobicContact CG1-CD2 4.17Å; E254-L258 WeakPolarHBondContact O-CB 3.34Å; E254-L258 PolarHBondContact O-N 3.02Å; L255-L258 PolarHBondContact O-N 3.02Å; L256-L258 VanDerWaalsContact C-N 3.35Å; L258-K260 PolarHBondContact O-N 3.26Å; L258-K261 PolarHBondContact O-N 3Å; L258-M262 HydrophobicContact CD1-CG 4.43Å; L258-M262 HydrophobicContact CG-CG 4.48Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.88Å
259	A	73.4	Confident	75	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-43.3	178.2	0	0	0	0	0	112.1	I221 A227 L255 L256 M262 Y263 T269	I221-A259 HydrophobicContact CD1-CB 4.11Å; A227-A259 HydrophobicContact CB-CB 4.39Å; L255-A259 VanDerWaalsContact O-CB 3.29Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 3.38Å; L256-A259 PolarHBondContact O-N 2.68Å; A259-M262 PolarHBondContact O-N 3.43Å; A259-Y263 PolarHBondContact O-N 3.17Å; A259-T269 HydrophobicContact CB-CG2 4.01Å
260	K	78.3	Confident	75.8	Confident	33 Å²	33	56.8 Å²	56.8	14%	0.143	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-38.4	175	-75.9	179.9	179.4	-178.5	0	113.1	L256 L258 P264 S273 E289	L256-K260 WeakPolarHBondContact O-CB 3.21Å; L256-K260 WeakPolarHBondContact O-CG 3.45Å; L256-K260 PolarHBondContact O-N 2.93Å; L258-K260 PolarHBondContact O-N 3.26Å; K260-P264 WeakPolarHBondContact O-CA 3.33Å; K260-S273 VanDerWaalsContact CE-CB 3.4Å; K260-S273 PolarHBondContact NZ-OG 3.29Å; K260-E289 WeakPolarHBondContact CE-OE2 3.3Å; K260-E289 IonicContact NZ-OE1 2.62Å; K260-E289 PolarHBondContact NZ-OE1 2.76Å; K260-E289 IonicContact NZ-OE2 3.67Å; K260-E289 PolarHBondContact NZ-OE2 2.87Å
261	K	78.2	Confident	76.2	Confident	177 Å²	177	53 Å²	53	77%	0.77	25%	0.254	S	S	*	.	H	α-helix	trans	-68.2	-39.6	178.9	-173	179.8	178	-175.6	0	111.6	L257 L258	L257-K261 WeakPolarHBondContact O-CB 3.28Å; L257-K261 PolarHBondContact O-N 2.84Å; L258-K261 PolarHBondContact O-N 3Å
262	M	68.9	Low	76.5	Confident	84 Å²	84	48.6 Å²	48.6	41%	0.414	24%	0.235	S	C	.	.	H	α-helix	trans	-79.3	-39.6	-179.4	-65.8	-63.6	-134.9	0	0	112.5	Q218 L258 A259	Q218-M262 HydrophobicContact CG-CE 4.16Å; L258-M262 HydrophobicContact CD1-CG 4.43Å; L258-M262 HydrophobicContact CG-CG 4.48Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.88Å; A259-M262 PolarHBondContact O-N 3.43Å
263	Y	72.3	Confident	77	Confident	48 Å²	48	47.8 Å²	47.8	19%	0.188	23%	0.232	C	C	.	.			trans	-134.1	69.4	-172.9	-55.6	-75.2	0	0	0	112.2	I221 S222 T223 R224 A227 A259 E265 V266	I221-Y263 HydrophobicContact CG2-CD2 4.41Å; I221-Y263 HydrophobicContact CG2-CE2 4.11Å; S222-Y263 VanDerWaalsContact C-OH 3.3Å; S222-Y263 PolarHBondContact O-OH 3.36Å; S222-Y263 VanDerWaalsContact O-OH 3.05Å; T223-Y263 VanDerWaalsContact CA-OH 3.3Å; T223-Y263 WeakPolarHBondContact CA-OH 3.25Å; T223-Y263 PolarHBondContact N-OH 3.48Å; R224-Y263 HydrophobicContact CB-CD1 4.48Å; R224-Y263 HydrophobicContact CB-CE1 4.4Å; A227-Y263 HydrophobicContact CB-CD2 3.93Å; A227-Y263 HydrophobicContact CB-CE2 4.36Å; A259-Y263 PolarHBondContact O-N 3.17Å; Y263-E265 PolarHBondContact O-N 3.47Å; Y263-V266 HydrophobicContact CG-CG2 4.44Å; Y263-V266 PolarHBondContact O-N 2.96Å
264	P	73.2	Confident	77.4	Confident	75 Å²	75	45.7 Å²	45.7	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	-178.1	26.5	-34.8	0	0	0	113.3	K260 V266 H270	K260-P264 WeakPolarHBondContact O-CA 3.33Å; P264-V266 VanDerWaalsContact C-N 3.25Å; P264-V266 PolarHBondContact O-N 3.27Å; P264-H270 PolarHBondContact O-NE2 3.13Å
265	E	70.2	Confident	77.5	Confident	126 Å²	126	40.9 Å²	40.9	59%	0.589	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.5	179.7	-59	178.1	-178.2	0	0	113.5	Y263 S267	Y263-E265 PolarHBondContact O-N 3.47Å; E265-S267 PolarHBondContact O-N 3.44Å
266	V	73.6	Confident	77.9	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.199	C	C	.	.			trans	-85.5	99.8	-178	-179.6	0	0	0	0	109.2	R224 L228 Y263 P264 Y268 T269	R224-V266 HydrophobicContact CG-CG2 3.6Å; L228-V266 HydrophobicContact CD2-CG1 3.52Å; L228-V266 HydrophobicContact CG-CG1 4.19Å; Y263-V266 HydrophobicContact CG-CG2 4.44Å; Y263-V266 PolarHBondContact O-N 2.96Å; P264-V266 VanDerWaalsContact C-N 3.25Å; P264-V266 PolarHBondContact O-N 3.27Å; V266-Y268 PolarHBondContact O-N 3.07Å; V266-Y268 VanDerWaalsContact O-N 3.12Å; V266-T269 HydrophobicContact CB-CG2 3.92Å; V266-T269 HydrophobicContact CG1-CG2 3.9Å; V266-T269 WeakPolarHBondContact O-CB 3.2Å; V266-T269 PolarHBondContact O-N 3.09Å; V266-T269 PolarHBondContact O-OG1 3.46Å
267	S	75.2	Confident	78.1	Confident	29 Å²	29	40.6 Å²	40.6	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-49.6	-42.2	179.2	61.3	0	0	0	0	112.8	E265 T269 H270 Y271 Y293 T296 C297	E265-S267 PolarHBondContact O-N 3.44Å; S267-T269 PolarHBondContact O-N 3.34Å; S267-H270 WeakPolarHBondContact O-CB 3.09Å; S267-H270 PolarHBondContact O-N 2.89Å; S267-Y271 PolarHBondContact O-N 3.42Å; S267-Y271 VanDerWaalsContact O-N 3.14Å; S267-Y293 WeakPolarHBondContact O-CD2 3.48Å; S267-T296 VanDerWaalsContact CA-OG1 3.29Å; S267-T296 WeakPolarHBondContact CA-OG1 3.41Å; S267-T296 VanDerWaalsContact CB-OG1 3.27Å; S267-T296 WeakPolarHBondContact CB-OG1 3.31Å; S267-C297 WeakPolarHBondContact CB-SG 3.33Å
268	Y	75.7	Confident	78	Confident	30 Å²	30	37.6 Å²	37.6	12%	0.118	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-25.4	-177.7	-152.2	-112.1	0	0	0	114.5	L228 C231 S232 I235 V266 Y271 A272 T339	L228-Y268 VanDerWaalsContact CD2-CB 3.45Å; L228-Y268 HydrophobicContact CD2-CD1 4Å; L228-Y268 HydrophobicContact CD2-CG 3.97Å; C231-Y268 HydrophobicContact CB-CD1 3.5Å; C231-Y268 HydrophobicContact CB-CE1 3.92Å; S232-Y268 WeakPolarHBondContact OG-CE1 3.31Å; S232-Y268 PolarHBondContact OG-OH 3.06Å; I235-Y268 HydrophobicContact CD1-CD1 4.17Å; I235-Y268 HydrophobicContact CD1-CE1 3.47Å; I235-Y268 VanDerWaalsContact CD1-CE1 3.47Å; I235-Y268 HydrophobicContact CD1-CE2 3.96Å; I235-Y268 WeakPolarHBondContact CD1-OH 3.41Å; V266-Y268 PolarHBondContact O-N 3.07Å; V266-Y268 VanDerWaalsContact O-N 3.12Å; Y268-Y271 HydrophobicContact CE2-CD1 4.46Å; Y268-Y271 PolarHBondContact O-N 3.17Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 2.82Å; Y268-T339 HydrophobicContact CE2-CG2 4.41Å
269	T	80.7	Confident	78	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-39	174.4	65.3	0	0	0	0	112	A259 V266 S267 S273	A259-T269 HydrophobicContact CB-CG2 4.01Å; V266-T269 HydrophobicContact CB-CG2 3.92Å; V266-T269 HydrophobicContact CG1-CG2 3.9Å; V266-T269 WeakPolarHBondContact O-CB 3.2Å; V266-T269 PolarHBondContact O-N 3.09Å; V266-T269 PolarHBondContact O-OG1 3.46Å; S267-T269 PolarHBondContact O-N 3.34Å; T269-S273 WeakPolarHBondContact O-CB 3.19Å; T269-S273 PolarHBondContact O-N 2.94Å
270	H	84.4	Confident	78.1	Confident	27 Å²	27	43.5 Å²	43.5	13%	0.125	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-41.6	173.8	-68.5	-66.8	0	0	0	111.1	P264 S267 S273 H274 E289 A292	P264-H270 PolarHBondContact O-NE2 3.13Å; S267-H270 WeakPolarHBondContact O-CB 3.09Å; S267-H270 PolarHBondContact O-N 2.89Å; H270-S273 CarbonylContact O-C 3.4Å; H270-S273 WeakPolarHBondContact O-CB 3.44Å; H270-S273 PolarHBondContact O-N 3.36Å; H270-H274 WeakPolarHBondContact O-CB 3.34Å; H270-H274 PolarHBondContact O-N 3.28Å; H270-E289 IonicContact CE1-OE2 3.62Å; H270-E289 IonicContact CG-OE2 2.7Å; H270-E289 IonicContact ND1-OE2 3.4Å; H270-E289 PolarHBondContact ND1-OE2 2.95Å; H270-A292 HydrophobicContact CB-CB 4.39Å
271	Y	82.1	Confident	78	Confident	58 Å²	58	47.6 Å²	47.6	23%	0.227	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-43.4	175.7	-173.2	-105	0	0	0	112.7	I235 S267 Y268 S273 H274 A275 Y293	I235-Y271 HydrophobicContact CD1-CD1 3.7Å; I235-Y271 HydrophobicContact CD1-CE1 4.18Å; I235-Y271 HydrophobicContact CG1-CD1 4.47Å; S267-Y271 PolarHBondContact O-N 3.42Å; S267-Y271 VanDerWaalsContact O-N 3.14Å; Y268-Y271 HydrophobicContact CE2-CD1 4.46Å; Y268-Y271 PolarHBondContact O-N 3.17Å; Y271-S273 VanDerWaalsContact C-N 3.28Å; Y271-S273 PolarHBondContact O-N 3.35Å; Y271-H274 WeakPolarHBondContact O-CB 3.24Å; Y271-H274 PolarHBondContact O-N 2.97Å; Y271-A275 PolarHBondContact O-N 3.45Å; Y271-Y293 HydrophobicContact CD2-CD1 4.13Å; Y271-Y293 HydrophobicContact CD2-CE1 4.07Å; Y271-Y293 HydrophobicContact CD2-CG 4.43Å; Y271-Y293 HydrophobicContact CG-CE2 4.43Å
272	A	81.2	Confident	78.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-39.1	174.8	0	0	0	0	0	111.7	C231 I235 L256 Y268 A275 Y276	C231-A272 HydrophobicContact CB-CB 3.95Å; I235-A272 HydrophobicContact CD1-CB 3.82Å; I235-A272 HydrophobicContact CG1-CB 3.8Å; L256-A272 HydrophobicContact CD2-CB 3.63Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 2.82Å; A272-A275 PolarHBondContact O-N 3.43Å; A272-Y276 WeakPolarHBondContact O-CB 3.31Å; A272-Y276 PolarHBondContact O-N 3.48Å
273	S	84.3	Confident	79.1	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-37.8	173.7	-171.6	0	0	0	0	113.3	K260 T269 H270 Y271 Y276 A277	K260-S273 VanDerWaalsContact CE-CB 3.4Å; K260-S273 PolarHBondContact NZ-OG 3.29Å; T269-S273 WeakPolarHBondContact O-CB 3.19Å; T269-S273 PolarHBondContact O-N 2.94Å; H270-S273 CarbonylContact O-C 3.4Å; H270-S273 WeakPolarHBondContact O-CB 3.44Å; H270-S273 PolarHBondContact O-N 3.36Å; Y271-S273 VanDerWaalsContact C-N 3.28Å; Y271-S273 PolarHBondContact O-N 3.35Å; S273-Y276 PolarHBondContact O-N 3.29Å; S273-A277 VanDerWaalsContact O-CB 3.26Å; S273-A277 WeakPolarHBondContact O-CB 3.31Å; S273-A277 PolarHBondContact O-N 3.47Å
274	H	86.1	Confident	79.9	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-49.4	172.9	168.5	76.1	0	0	0	110.6	H270 Y271 Y276 A277 L278 A286 E289	H270-H274 WeakPolarHBondContact O-CB 3.34Å; H270-H274 PolarHBondContact O-N 3.28Å; Y271-H274 WeakPolarHBondContact O-CB 3.24Å; Y271-H274 PolarHBondContact O-N 2.97Å; H274-Y276 VanDerWaalsContact C-N 3.3Å; H274-Y276 PolarHBondContact O-N 3.42Å; H274-A277 PolarHBondContact O-N 2.84Å; H274-L278 VanDerWaalsContact NE2-CD1 3.26Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.39Å; H274-L278 WeakPolarHBondContact O-CB 3.47Å; H274-L278 WeakPolarHBondContact O-CG 3.34Å; H274-L278 PolarHBondContact O-N 3.27Å; H274-A286 PolarHBondContact ND1-O 3.31Å; H274-E289 HydrophobicContact CB-CB 4.02Å
275	A	80.9	Confident	80.5	Confident	14 Å²	14	41.7 Å²	41.7	12%	0.116	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-40	177.2	0	0	0	0	0	112	I238 Y271 A272 L278 Q279	I238-A275 HydrophobicContact CD1-CB 4.28Å; I238-A275 HydrophobicContact CG2-CB 4.26Å; Y271-A275 PolarHBondContact O-N 3.45Å; A272-A275 PolarHBondContact O-N 3.43Å; A275-L278 WeakPolarHBondContact O-CB 3.47Å; A275-Q279 PolarHBondContact O-N 3.07Å; A275-Q279 VanDerWaalsContact O-N 3.15Å
276	Y	81.3	Confident	81.3	Confident	10 Å²	10	35.7 Å²	35.7	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-41.1	175.5	-174.6	-108.4	0	0	0	112.4	I238 L249 N253 L256 A272 S273 H274 Q279 K280	I238-Y276 HydrophobicContact CD1-CD2 4.18Å; I238-Y276 HydrophobicContact CD1-CG 4.49Å; I238-Y276 HydrophobicContact CG1-CD2 4.35Å; L249-Y276 HydrophobicContact CD2-CE2 4.05Å; L249-Y276 PolarHBondContact O-OH 2.83Å; N253-Y276 HydrophobicContact CB-CE1 4.21Å; L256-Y276 HydrophobicContact CD1-CD1 4.48Å; L256-Y276 HydrophobicContact CD1-CG 4.28Å; A272-Y276 WeakPolarHBondContact O-CB 3.31Å; A272-Y276 PolarHBondContact O-N 3.48Å; S273-Y276 PolarHBondContact O-N 3.29Å; H274-Y276 VanDerWaalsContact C-N 3.3Å; H274-Y276 PolarHBondContact O-N 3.42Å; Y276-Q279 PolarHBondContact O-N 3.47Å; Y276-K280 HydrophobicContact CD1-CD 4.28Å; Y276-K280 HydrophobicContact CE1-CD 3.79Å; Y276-K280 PolarHBondContact O-N 3.03Å; Y276-K280 WeakPolarHBondContact OH-CE 3.37Å; Y276-K280 PolarHBondContact OH-NZ 2.89Å
277	A	82.7	Confident	81.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-37.9	176.8	0	0	0	0	0	112.6	S273 H274 Q279 K280 R281 N282 M285 A286	S273-A277 VanDerWaalsContact O-CB 3.26Å; S273-A277 WeakPolarHBondContact O-CB 3.31Å; S273-A277 PolarHBondContact O-N 3.47Å; H274-A277 PolarHBondContact O-N 2.84Å; A277-Q279 VanDerWaalsContact C-N 3.34Å; A277-K280 CarbonylContact O-C 3.54Å; A277-K280 PolarHBondContact O-N 3.23Å; A277-R281 PolarHBondContact O-N 2.91Å; A277-R281 VanDerWaalsContact O-N 3.13Å; A277-N282 PolarHBondContact O-N 2.95Å; A277-M285 HydrophobicContact CB-CB 4Å; A277-M285 HydrophobicContact CB-CG 3.84Å; A277-M285 HydrophobicContact CB-SD 4.15Å; A277-A286 HydrophobicContact CB-CB 3.92Å
278	L	80.1	Confident	82.6	Confident	37 Å²	37	41.6 Å²	41.6	19%	0.194	20%	0.201	C	C	.	.	H	α-helix	trans	-56.2	-48.5	171.4	-83.4	179.1	0	0	0	111	H274 A275 R281 A286 M358 F362	H274-L278 VanDerWaalsContact NE2-CD1 3.26Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.39Å; H274-L278 WeakPolarHBondContact O-CB 3.47Å; H274-L278 WeakPolarHBondContact O-CG 3.34Å; H274-L278 PolarHBondContact O-N 3.27Å; A275-L278 WeakPolarHBondContact O-CB 3.47Å; L278-R281 PolarHBondContact O-N 3.33Å; L278-R281 VanDerWaalsContact O-N 3.16Å; L278-A286 HydrophobicContact CD2-CB 4.21Å; L278-A286 HydrophobicContact CG-CB 4.28Å; L278-M358 HydrophobicContact CD2-CB 4.25Å; L278-M358 HydrophobicContact CD2-CG 3.78Å; L278-F362 HydrophobicContact CD2-CE2 3.77Å; L278-F362 HydrophobicContact CD2-CZ 4.42Å
279	Q	75.1	Confident	83.2	Confident	44 Å²	44	41.7 Å²	41.7	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-53.5	175	-72.2	-60.4	-9	0	0	109.8	I238 A275 Y276 A277 R281 P538	I238-Q279 HydrophobicContact CG2-CB 4.47Å; I238-Q279 HydrophobicContact CG2-CG 3.39Å; A275-Q279 PolarHBondContact O-N 3.07Å; A275-Q279 VanDerWaalsContact O-N 3.15Å; Y276-Q279 PolarHBondContact O-N 3.47Å; A277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-R281 PolarHBondContact O-N 3.21Å; Q279-P538 HydrophobicContact CB-CG 4.22Å; Q279-P538 WeakPolarHBondContact O-CB 3.39Å; Q279-P538 WeakPolarHBondContact O-CG 3.22Å
280	K	76.5	Confident	83.4	Confident	109 Å²	109	41.9 Å²	41.9	47%	0.474	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-2.6	178	-77.8	-170.6	172.5	176.4	0	115.7	Y276 A277 N282	Y276-K280 HydrophobicContact CD1-CD 4.28Å; Y276-K280 HydrophobicContact CE1-CD 3.79Å; Y276-K280 PolarHBondContact O-N 3.03Å; Y276-K280 WeakPolarHBondContact OH-CE 3.37Å; Y276-K280 PolarHBondContact OH-NZ 2.89Å; A277-K280 CarbonylContact O-C 3.54Å; A277-K280 PolarHBondContact O-N 3.23Å; K280-N282 PolarHBondContact O-N 3.25Å
281	R	76.4	Confident	83.5	Confident	119 Å²	119	44.4 Å²	44.4	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.2	-175.3	-61.2	-68.2	-169.8	161.5	-2.7	112	A277 L278 Q279 N361 F362 P538 N539	A277-R281 PolarHBondContact O-N 2.91Å; A277-R281 VanDerWaalsContact O-N 3.13Å; L278-R281 PolarHBondContact O-N 3.33Å; L278-R281 VanDerWaalsContact O-N 3.16Å; Q279-R281 PolarHBondContact O-N 3.21Å; R281-N361 PolarHBondContact NH1-O 3.21Å; R281-F362 HydrophobicContact CB-CE1 4.31Å; R281-P538 HydrophobicContact CG-CB 4.18Å; R281-N539 PolarHBondContact NE-OD1 3.3Å; R281-N539 PolarHBondContact NH2-OD1 3.01Å
282	N	84.1	Confident	83.6	Confident	70 Å²	70	42.7 Å²	42.7	37%	0.374	21%	0.213	S	C	.	.			trans	-97.2	95	174.6	-173.1	-18.7	0	0	0	109.5	A277 K280 T284 M285 A286	A277-N282 PolarHBondContact O-N 2.95Å; K280-N282 PolarHBondContact O-N 3.25Å; N282-T284 PolarHBondContact OD1-N 3.32Å; N282-M285 HydrophobicContact CB-CB 4.17Å; N282-M285 PolarHBondContact OD1-N 3.15Å; N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.35Å; N282-A286 PolarHBondContact O-N 3.23Å
283	L	85.2	Confident	83.8	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-51.4	-177.2	177	68.2	0	0	0	112.2	M285 A286 E287 M358 F362 H364	L283-M285 VanDerWaalsContact C-N 3.32Å; L283-M285 PolarHBondContact O-N 3.31Å; L283-A286 PolarHBondContact O-N 3.48Å; L283-A286 VanDerWaalsContact O-N 3.15Å; L283-E287 WeakPolarHBondContact O-CB 3.32Å; L283-E287 PolarHBondContact O-N 2.88Å; L283-M358 HydrophobicContact CD1-CE 4.25Å; L283-M358 HydrophobicContact CD1-SD 4.49Å; L283-F362 HydrophobicContact CB-CD1 4.3Å; L283-F362 HydrophobicContact CB-CE1 3.99Å; L283-F362 HydrophobicContact CB-CE2 4.22Å; L283-F362 HydrophobicContact CB-CZ 3.96Å; L283-F362 HydrophobicContact CD1-CD1 4.47Å; L283-F362 HydrophobicContact CD1-CD2 3.44Å; L283-F362 VanDerWaalsContact CD1-CD2 3.44Å; L283-F362 HydrophobicContact CD1-CE2 3.61Å; L283-F362 HydrophobicContact CD1-CG 3.92Å; L283-F362 HydrophobicContact CD1-CZ 4.23Å; L283-H364 VanDerWaalsContact CD2-CE1 3.47Å; L283-H364 WeakPolarHBondContact CD2-CE1 3.27Å
284	T	88.6	Confident	83.7	Confident	91 Å²	91	43.4 Å²	43.4	56%	0.558	22%	0.216	S	C	*	.	H	α-helix	trans	-60.5	-43.5	-175.3	-49.5	0	0	0	0	111.5	N282 N288	N282-T284 PolarHBondContact OD1-N 3.32Å; T284-N288 WeakPolarHBondContact O-CB 2.98Å; T284-N288 PolarHBondContact O-N 3.27Å; T284-N288 PolarHBondContact O-ND2 3.31Å; T284-N288 PolarHBondContact O-OD1 2.99Å
285	M	86.7	Confident	83.5	Confident	58 Å²	58	49.2 Å²	49.2	29%	0.286	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-40.3	177.1	-172.7	178.3	-178	0	0	111.5	A277 N282 L283 E289	A277-M285 HydrophobicContact CB-CB 4Å; A277-M285 HydrophobicContact CB-CG 3.84Å; A277-M285 HydrophobicContact CB-SD 4.15Å; N282-M285 HydrophobicContact CB-CB 4.17Å; N282-M285 PolarHBondContact OD1-N 3.15Å; L283-M285 VanDerWaalsContact C-N 3.32Å; L283-M285 PolarHBondContact O-N 3.31Å; M285-E289 HydrophobicContact CG-CG 4.3Å; M285-E289 WeakPolarHBondContact O-CB 3.48Å; M285-E289 WeakPolarHBondContact O-CG 3.27Å; M285-E289 PolarHBondContact O-N 3.46Å
286	A	85.8	Confident	83.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-44.4	177.3	0	0	0	0	0	111.5	H274 A277 L278 N282 L283 L290 M358 F362	H274-A286 PolarHBondContact ND1-O 3.31Å; A277-A286 HydrophobicContact CB-CB 3.92Å; L278-A286 HydrophobicContact CD2-CB 4.21Å; L278-A286 HydrophobicContact CG-CB 4.28Å; N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.35Å; N282-A286 PolarHBondContact O-N 3.23Å; L283-A286 PolarHBondContact O-N 3.48Å; L283-A286 VanDerWaalsContact O-N 3.15Å; A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 PolarHBondContact O-N 3.07Å; A286-M358 HydrophobicContact CB-SD 3.91Å; A286-F362 HydrophobicContact CB-CE2 4.45Å
287	E	88	Confident	83	Confident	58 Å²	58	49.6 Å²	49.6	27%	0.271	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-50.2	178.8	-172.4	168.3	-168.6	0	0	111.3	L283 E289 L290 H291 M358	L283-E287 WeakPolarHBondContact O-CB 3.32Å; L283-E287 PolarHBondContact O-N 2.88Å; E287-E289 PolarHBondContact O-N 3.29Å; E287-L290 WeakPolarHBondContact O-CB 3.4Å; E287-L290 PolarHBondContact O-N 3.13Å; E287-H291 PolarHBondContact O-CD2 2.94Å; E287-H291 PolarHBondContact O-N 3.05Å; E287-M358 HydrophobicContact CB-CE 3.82Å; E287-M358 HydrophobicContact CB-SD 4.33Å; E287-M358 HydrophobicContact CG-CE 4.01Å
288	N	89.8	Confident	82.4	Confident	98 Å²	98	53.1 Å²	53.1	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-43.3	179.3	-69.8	-10.1	0	0	0	112.7	T284 L290 H291 A292	T284-N288 WeakPolarHBondContact O-CB 2.98Å; T284-N288 PolarHBondContact O-N 3.27Å; T284-N288 PolarHBondContact O-ND2 3.31Å; T284-N288 PolarHBondContact O-OD1 2.99Å; N288-L290 VanDerWaalsContact C-N 3.34Å; N288-H291 PolarHBondContact O-N 3.26Å; N288-A292 WeakPolarHBondContact O-CB 3.09Å; N288-A292 PolarHBondContact O-N 2.87Å
289	E	86.7	Confident	81.7	Confident	32 Å²	32	53.8 Å²	53.8	15%	0.15	27%	0.273	C	S	.	.	H	α-helix	trans	-72.4	-29.3	179.4	-65.9	-66.2	167.3	0	0	112.4	K260 H270 H274 M285 E287 Y293	K260-E289 WeakPolarHBondContact CE-OE2 3.3Å; K260-E289 IonicContact NZ-OE1 2.62Å; K260-E289 PolarHBondContact NZ-OE1 2.76Å; K260-E289 IonicContact NZ-OE2 3.67Å; K260-E289 PolarHBondContact NZ-OE2 2.87Å; H270-E289 IonicContact CE1-OE2 3.62Å; H270-E289 IonicContact CG-OE2 2.7Å; H270-E289 IonicContact ND1-OE2 3.4Å; H270-E289 PolarHBondContact ND1-OE2 2.95Å; H274-E289 HydrophobicContact CB-CB 4.02Å; M285-E289 HydrophobicContact CG-CG 4.3Å; M285-E289 WeakPolarHBondContact O-CB 3.48Å; M285-E289 WeakPolarHBondContact O-CG 3.27Å; M285-E289 PolarHBondContact O-N 3.46Å; E287-E289 PolarHBondContact O-N 3.29Å; E289-Y293 WeakPolarHBondContact O-CB 3.45Å; E289-Y293 PolarHBondContact O-N 3Å
290	L	86.1	Confident	81	Confident	4 Å²	4	53 Å²	53	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-44.3	172.1	-168.7	63.3	0	0	0	110.8	A286 E287 N288 Y293 F294	A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 PolarHBondContact O-N 3.07Å; E287-L290 WeakPolarHBondContact O-CB 3.4Å; E287-L290 PolarHBondContact O-N 3.13Å; N288-L290 VanDerWaalsContact C-N 3.34Å; L290-Y293 WeakPolarHBondContact O-CB 3.5Å; L290-Y293 PolarHBondContact O-N 2.87Å; L290-F294 HydrophobicContact CD1-CD2 4.09Å; L290-F294 HydrophobicContact CD1-CE2 3.54Å; L290-F294 HydrophobicContact CG-CD2 4.02Å; L290-F294 HydrophobicContact CG-CE2 3.83Å; L290-F294 WeakPolarHBondContact O-CD2 3.21Å; L290-F294 PolarHBondContact O-N 2.99Å
291	H	86	Confident	79.9	Confident	80 Å²	80	50.3 Å²	50.3	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-48.4	174.9	-69.4	-54.8	0	0	0	111.2	E287 N288 Y293 F294 E295	E287-H291 PolarHBondContact O-CD2 2.94Å; E287-H291 PolarHBondContact O-N 3.05Å; N288-H291 PolarHBondContact O-N 3.26Å; H291-Y293 VanDerWaalsContact C-N 3.28Å; H291-Y293 PolarHBondContact O-N 3.04Å; H291-F294 PolarHBondContact O-N 2.85Å; H291-F294 VanDerWaalsContact O-N 3.14Å; H291-E295 WeakPolarHBondContact O-CB 3.29Å; H291-E295 WeakPolarHBondContact O-CG 3.29Å; H291-E295 PolarHBondContact O-N 2.92Å
292	A	85.1	Confident	78.2	Confident	21 Å²	21	52.4 Å²	52.4	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-37.6	176.4	0	0	0	0	0	112.7	H270 N288 T296	H270-A292 HydrophobicContact CB-CB 4.39Å; N288-A292 WeakPolarHBondContact O-CB 3.09Å; N288-A292 PolarHBondContact O-N 2.87Å; A292-T296 WeakPolarHBondContact O-CB 3.44Å; A292-T296 WeakPolarHBondContact O-CG2 3.47Å; A292-T296 PolarHBondContact O-N 3.21Å; A292-T296 PolarHBondContact O-OG1 2.79Å
293	Y	84.1	Confident	75.7	Confident	15 Å²	15	53.5 Å²	53.5	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-49.5	173.5	171.5	-114.8	0	0	0	112.1	S267 Y271 E289 L290 H291 T296 C297 I342	S267-Y293 WeakPolarHBondContact O-CD2 3.48Å; Y271-Y293 HydrophobicContact CD2-CD1 4.13Å; Y271-Y293 HydrophobicContact CD2-CE1 4.07Å; Y271-Y293 HydrophobicContact CD2-CG 4.43Å; Y271-Y293 HydrophobicContact CG-CE2 4.43Å; E289-Y293 WeakPolarHBondContact O-CB 3.45Å; E289-Y293 PolarHBondContact O-N 3Å; L290-Y293 WeakPolarHBondContact O-CB 3.5Å; L290-Y293 PolarHBondContact O-N 2.87Å; H291-Y293 VanDerWaalsContact C-N 3.28Å; H291-Y293 PolarHBondContact O-N 3.04Å; Y293-T296 PolarHBondContact O-OG1 3.06Å; Y293-C297 WeakPolarHBondContact O-CB 3.39Å; Y293-C297 PolarHBondContact O-N 3.44Å; Y293-C297 PolarHBondContact O-SG 3.13Å; Y293-C297 VanDerWaalsContact O-SG 3.4Å; Y293-I342 HydrophobicContact CE1-CD1 4.29Å; Y293-I342 WeakPolarHBondContact OH-CD1 3.25Å
294	F	81.8	Confident	73.1	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-71.7	-34.9	-179.7	-76.1	-68.2	0	0	0	112.8	L290 H291 C297 M298 T347 H350 M351 T354	L290-F294 HydrophobicContact CD1-CD2 4.09Å; L290-F294 HydrophobicContact CD1-CE2 3.54Å; L290-F294 HydrophobicContact CG-CD2 4.02Å; L290-F294 HydrophobicContact CG-CE2 3.83Å; L290-F294 WeakPolarHBondContact O-CD2 3.21Å; L290-F294 PolarHBondContact O-N 2.99Å; H291-F294 PolarHBondContact O-N 2.85Å; H291-F294 VanDerWaalsContact O-N 3.14Å; F294-C297 PolarHBondContact O-N 2.75Å; F294-M298 WeakPolarHBondContact O-CB 3.48Å; F294-M298 VanDerWaalsContact O-CG 3.31Å; F294-M298 WeakPolarHBondContact O-CG 3.14Å; F294-M298 PolarHBondContact O-N 2.65Å; F294-T347 HydrophobicContact CD1-CG2 3.64Å; F294-T347 HydrophobicContact CE1-CG2 4.29Å; F294-H350 HydrophobicContact CE1-CB 4.21Å; F294-H350 HydrophobicContact CZ-CB 4.4Å; F294-M351 HydrophobicContact CB-CG 4.4Å; F294-M351 HydrophobicContact CB-SD 4.01Å; F294-M351 HydrophobicContact CD1-CB 3.95Å; F294-M351 HydrophobicContact CD2-CB 3.66Å; F294-M351 HydrophobicContact CD2-CG 3.48Å; F294-M351 VanDerWaalsContact CD2-CG 3.48Å; F294-M351 HydrophobicContact CD2-SD 4.15Å; F294-M351 HydrophobicContact CE1-CB 3.97Å; F294-M351 VanDerWaalsContact CE2-CA 3.42Å; F294-M351 HydrophobicContact CE2-CB 3.7Å; F294-M351 HydrophobicContact CE2-CG 3.83Å; F294-M351 HydrophobicContact CG-CB 3.8Å; F294-M351 HydrophobicContact CG-CG 3.9Å; F294-M351 HydrophobicContact CG-SD 4.15Å; F294-M351 HydrophobicContact CZ-CB 3.86Å; F294-M351 HydrophobicContact CZ-CG 4.49Å; F294-T354 VanDerWaalsContact CE2-OG1 3.26Å; F294-T354 WeakPolarHBondContact CE2-OG1 3.28Å; F294-T354 HydrophobicContact CZ-CG2 4.38Å; F294-T354 WeakPolarHBondContact CZ-OG1 3.39Å
295	E	83.2	Confident	70.3	Confident	128 Å²	128	60.1 Å²	60.1	60%	0.598	32%	0.318	S	S	*	.	H	α-helix	trans	-60.3	-47.3	173.1	-75.6	178.8	175.7	0	0	111.6	H291 C297 M298 A299	H291-E295 WeakPolarHBondContact O-CB 3.29Å; H291-E295 WeakPolarHBondContact O-CG 3.29Å; H291-E295 PolarHBondContact O-N 2.92Å; E295-C297 PolarHBondContact O-N 2.91Å; E295-M298 PolarHBondContact O-N 2.75Å; E295-A299 WeakPolarHBondContact O-CB 3.49Å; E295-A299 PolarHBondContact O-N 3.38Å
296	T	78	Confident	67.8	Low	25 Å²	25	59.3 Å²	59.3	15%	0.153	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-36.9	177.1	49.9	0	0	0	0	112.4	S267 A292 Y293 A299 S300	S267-T296 VanDerWaalsContact CA-OG1 3.29Å; S267-T296 WeakPolarHBondContact CA-OG1 3.41Å; S267-T296 VanDerWaalsContact CB-OG1 3.27Å; S267-T296 WeakPolarHBondContact CB-OG1 3.31Å; A292-T296 WeakPolarHBondContact O-CB 3.44Å; A292-T296 WeakPolarHBondContact O-CG2 3.47Å; A292-T296 PolarHBondContact O-N 3.21Å; A292-T296 PolarHBondContact O-OG1 2.79Å; Y293-T296 PolarHBondContact O-OG1 3.06Å; T296-A299 PolarHBondContact O-N 3.23Å; T296-S300 PolarHBondContact O-N 3.4Å; T296-S300 PolarHBondContact O-OG 3.42Å
297	C	73	Confident	65	Low	8 Å²	8	61.8 Å²	61.8	5%	0.054	33%	0.332	C	S	.	.	H	α-helix	trans	-65.4	-37	171.5	-78.9	0	0	0	0	113.3	S267 Y293 F294 E295 S300 V301 I342	S267-C297 WeakPolarHBondContact CB-SG 3.33Å; Y293-C297 WeakPolarHBondContact O-CB 3.39Å; Y293-C297 PolarHBondContact O-N 3.44Å; Y293-C297 PolarHBondContact O-SG 3.13Å; Y293-C297 VanDerWaalsContact O-SG 3.4Å; F294-C297 PolarHBondContact O-N 2.75Å; E295-C297 PolarHBondContact O-N 2.91Å; C297-S300 PolarHBondContact O-OG 2.82Å; C297-V301 VanDerWaalsContact O-CG2 3.29Å; C297-V301 WeakPolarHBondContact O-CG2 3.46Å; C297-V301 PolarHBondContact O-N 2.82Å; C297-I342 HydrophobicContact CB-CD1 4.42Å
298	M	69.6	Low	62.3	Low	73 Å²	73	63.1 Å²	63.1	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-71.9	-37.5	176.1	-72.8	-172.7	-67.2	0	0	111.5	F294 E295 V301 Q302 T347	F294-M298 WeakPolarHBondContact O-CB 3.48Å; F294-M298 VanDerWaalsContact O-CG 3.31Å; F294-M298 WeakPolarHBondContact O-CG 3.14Å; F294-M298 PolarHBondContact O-N 2.65Å; E295-M298 PolarHBondContact O-N 2.75Å; M298-V301 PolarHBondContact O-N 3.36Å; M298-Q302 PolarHBondContact O-N 3.06Å; M298-T347 HydrophobicContact CG-CG2 3.87Å
299	A	66.7	Low	59.4	Low	52 Å²	52	63.1 Å²	63.1	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-39.2	175.9	0	0	0	0	0	112.3	E295 T296 V301 Q302 N303	E295-A299 WeakPolarHBondContact O-CB 3.49Å; E295-A299 PolarHBondContact O-N 3.38Å; T296-A299 PolarHBondContact O-N 3.23Å; A299-V301 PolarHBondContact O-N 3.35Å; A299-Q302 PolarHBondContact O-N 3.33Å; A299-N303 PolarHBondContact O-N 3.09Å
300	S	60.1	Low	56.5	Low	28 Å²	28	66.1 Å²	66.1	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-67	-24.6	177	65.2	0	0	0	0	113.1	T296 C297 S307	T296-S300 PolarHBondContact O-N 3.4Å; T296-S300 PolarHBondContact O-OG 3.42Å; C297-S300 PolarHBondContact O-OG 2.82Å; S300-S307 PolarHBondContact O-OG 2.99Å
301	V	52.1	Low	53.7	Low	51 Å²	51	70 Å²	70	31%	0.309	39%	0.392	S	S	.	.	H	α-helix	trans	-80.1	-33.1	176.9	167.3	0	0	0	0	112.3	C297 M298 A299 N303	C297-V301 VanDerWaalsContact O-CG2 3.29Å; C297-V301 WeakPolarHBondContact O-CG2 3.46Å; C297-V301 PolarHBondContact O-N 2.82Å; M298-V301 PolarHBondContact O-N 3.36Å; A299-V301 PolarHBondContact O-N 3.35Å; V301-N303 VanDerWaalsContact C-N 3.31Å
302	Q	41.8	Very low	50.9	Low	163 Å²	163	71.3 Å²	71.3	76%	0.762	41%	0.406	S	S	*	.	H	α-helix	trans	-74	-22.2	178.1	-74.3	-178.8	-9.4	0	0	113.1	M298 A299 P304	M298-Q302 PolarHBondContact O-N 3.06Å; A299-Q302 PolarHBondContact O-N 3.33Å; Q302-P304 WeakPolarHBondContact O-CD 3.37Å
303	N	31.5	Very low	48	Very low	93 Å²	93	79.6 Å²	79.6	50%	0.497	44%	0.439	S	S	.	.	S	Bend	trans	-110.9	93.7	170.9	-78.9	-32	0	0	0	109.4	A299 V301 E305 I306	A299-N303 PolarHBondContact O-N 3.09Å; V301-N303 VanDerWaalsContact C-N 3.31Å; N303-E305 PolarHBondContact O-N 3.29Å; N303-I306 HydrophobicContact CB-CB 4.39Å; N303-I306 HydrophobicContact CB-CD1 3.64Å; N303-I306 HydrophobicContact CB-CG1 3.91Å; N303-I306 PolarHBondContact O-N 2.97Å
304	P	30.9	Very low	45.1	Very low	104 Å²	104	84.6 Å²	84.6	68%	0.675	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-60.2	-14.9	179.7	23	-32.5	0	0	0	113.4	Q302 I306 S307	Q302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-I306 PolarHBondContact O-N 3.48Å; P304-S307 PolarHBondContact O-N 2.9Å
305	E	28.5	Very low	42.4	Very low	167 Å²	167	87.3 Å²	87.3	78%	0.78	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-66.9	-24.3	170.2	-63.8	-172.1	164	0	0	112.9	Y12 N303	Y12-E305 PolarHBondContact OH-O 3.3Å; N303-E305 PolarHBondContact O-N 3.29Å
306	I	36.1	Very low	39.5	Very low	42 Å²	42	86.6 Å²	86.6	22%	0.215	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-93.7	-7	179	-53.1	171.8	0	0	0	112.1	Y12 N303 P304 L308	Y12-I306 VanDerWaalsContact OH-CA 3.25Å; Y12-I306 WeakPolarHBondContact OH-CA 3.46Å; Y12-I306 WeakPolarHBondContact OH-CG1 3.44Å; Y12-I306 PolarHBondContact OH-N 3.42Å; N303-I306 HydrophobicContact CB-CB 4.39Å; N303-I306 HydrophobicContact CB-CD1 3.64Å; N303-I306 HydrophobicContact CB-CG1 3.91Å; N303-I306 PolarHBondContact O-N 2.97Å; P304-I306 PolarHBondContact O-N 3.48Å; I306-L308 PolarHBondContact O-N 3.1Å
307	S	25.5	Very low	37	Very low	52 Å²	52	88.6 Å²	88.6	36%	0.364	55%	0.546	S	S	.	.			trans	-92.7	91.5	-175	-80.6	0	0	0	0	112.9	S300 P304	S300-S307 PolarHBondContact O-OG 2.99Å; P304-S307 PolarHBondContact O-N 2.9Å
308	L	31.1	Very low	34.7	Very low	86 Å²	86	95 Å²	95	45%	0.45	59%	0.586	S	S	.	*			trans	-104.1	90.3	166.3	-90.8	169.6	0	0	0	112.9	G9 S11 I306	G9-L308 WeakPolarHBondContact O-CD1 3.04Å; G9-L308 WeakPolarHBondContact O-CD2 3.04Å; S11-L308 WeakPolarHBondContact OG-CD1 3.38Å; I306-L308 PolarHBondContact O-N 3.1Å
309	T	29.1	Very low	32.5	Very low	97 Å²	97	96.1 Å²	96.1	60%	0.595	61%	0.606	S	S	*	*				34.8	86.5	129.5	65.3	0	0	0	0	118.2	S311	T309-S311 PolarHBondContact O-N 3.43Å; T309-S311 VanDerWaalsContact O-N 3.08Å
310	T	26.6	Very low	30.5	Very low	95 Å²	95	99.4 Å²	99.4	58%	0.583	63%	0.626	S	S	*	*			trans	-71.1	73.8	132.5	36.6	0	0	0	0	108.1	T312	T310-T312 PolarHBondContact O-N 2.96Å
311	S	27.7	Very low	28.7	Very low	85 Å²	85	104.2 Å²	104.2	59%	0.594	65%	0.654	S	S	*	*			trans	-66.2	101.6	172.3	57.1	0	0	0	0	108.7	T309 F313	T309-S311 PolarHBondContact O-N 3.43Å; T309-S311 VanDerWaalsContact O-N 3.08Å; S311-F313 PolarHBondContact O-N 2.92Å
312	T	26.4	Very low	27.5	Very low	108 Å²	108	108.4 Å²	108.4	66%	0.663	68%	0.68	S	S	*	*			trans	-58.2	115	153.7	10.9	0	0	0	0	106.4	T310 S314	T310-T312 PolarHBondContact O-N 2.96Å; T312-S314 VanDerWaalsContact C-N 3.27Å; T312-S314 PolarHBondContact O-N 3.26Å
313	F	23.6	Very low	26.6	Very low	195 Å²	195	106.5 Å²	106.5	86%	0.855	68%	0.68	S	S	*	*			trans	-65.1	90.7	171.6	-122.4	-91.5	0	0	0	108	S311 G315	S311-F313 PolarHBondContact O-N 2.92Å; F313-G315 VanDerWaalsContact C-N 3.29Å; F313-G315 PolarHBondContact O-N 3.26Å
314	S	23.2	Very low	26.4	Very low	120 Å²	120	108.9 Å²	108.9	84%	0.839	70%	0.698	S	S	*	*			trans	-80.3	81.8	161.6	55	0	0	0	0	108	T312	T312-S314 VanDerWaalsContact C-N 3.27Å; T312-S314 PolarHBondContact O-N 3.26Å
315	G	25.6	Very low	26	Very low	61 Å²	61	110.3 Å²	110.3	63%	0.629	71%	0.705	S	S	*	*			trans	-105.5	98.3	167.9	0	0	0	0	0	109.5	F313	F313-G315 VanDerWaalsContact C-N 3.29Å; F313-G315 PolarHBondContact O-N 3.26Å
316	A	21.8	Very low	26	Very low	113 Å²	113	109.1 Å²	109.1	93%	0.934	71%	0.709	S	S	*	*			trans	-60.6	130.7	163.7	0	0	0	0	0	109.3
317	G	25.1	Very low	25.4	Very low	67 Å²	67	113.6 Å²	113.6	69%	0.691	74%	0.739	S	S	*	*			trans	-172	80.3	-179	0	0	0	0	0	111.1
318	T	25.8	Very low	25.4	Very low	144 Å²	144	116.2 Å²	116.2	88%	0.883	76%	0.764	S	S	*	*			trans	16.2	126.2	148.9	40.7	0	0	0	0	120.1
319	A	22.8	Very low	25	Very low	95 Å²	95	115.3 Å²	115.3	79%	0.785	78%	0.775	S	S	*	*			trans	-25.1	136.9	161.7	0	0	0	0	0	117.1
320	S	25.1	Very low	24.7	Very low	122 Å²	122	117.3 Å²	117.3	85%	0.853	79%	0.79	S	S	*	*				-169.5	131.3	119.4	-80.9	0	0	0	0	112.6
321	T	23.2	Very low	24.6	Very low	128 Å²	128	115.9 Å²	115.9	79%	0.785	79%	0.794	S	S	*	*			trans	-44.8	134.2	170	-35.8	0	0	0	0	113.8
322	T	26.6	Very low	24.3	Very low	139 Å²	139	118.9 Å²	118.9	85%	0.853	81%	0.808	S	S	*	*				-176.4	134.5	125.3	20.3	0	0	0	0	111.9
323	T	23.6	Very low	24.2	Very low	124 Å²	124	118.5 Å²	118.5	76%	0.761	81%	0.81	S	S	*	*			trans	-68.9	135.5	173.7	43.9	0	0	0	0	112.5
324	T	26.3	Very low	24.2	Very low	142 Å²	142	113.6 Å²	113.6	87%	0.871	81%	0.806	S	S	*	*			trans	-160.6	128	140.1	30.3	0	0	0	0	111.2
325	T	23.4	Very low	24.2	Very low	135 Å²	135	110.6 Å²	110.6	83%	0.828	79%	0.785	S	S	*	*			trans	-64.4	131.8	170	42.1	0	0	0	0	112.9
326	T	28.3	Very low	24.2	Very low	141 Å²	141	111.6 Å²	111.6	87%	0.865	78%	0.782	S	S	*	*			trans	-155.1	127.4	148.2	27.8	0	0	0	0	111.4
327	T	23.6	Very low	24.5	Very low	137 Å²	137	108.2 Å²	108.2	84%	0.84	75%	0.75	S	S	*	*			trans	-58.8	136.9	168.2	42.8	0	0	0	0	113.3
328	A	24	Very low	24.7	Very low	107 Å²	107	111.7 Å²	111.7	88%	0.884	75%	0.752	S	S	*	*			trans	150.3	130.6	134.7	0	0	0	0	0	113.2
329	G	23.8	Very low	25.4	Very low	66 Å²	66	106.6 Å²	106.6	68%	0.68	72%	0.721	S	S	*	*			trans	123.9	117.2	157.2	0	0	0	0	0	114.9	G331	G329-G331 PolarHBondContact O-N 2.84Å
330	P	22.5	Very low	26	Very low	140 Å²	140	104.1 Å²	104.1	91%	0.909	70%	0.697	S	S	*	*			trans	-74.5	95.6	173.3	31.4	-28.6	0	0	0	108.2
331	G	23.8	Very low	26.6	Very low	64 Å²	64	100.3 Å²	100.3	66%	0.66	67%	0.669	S	S	*	*			trans	-90.4	113.1	176.3	0	0	0	0	0	110.5	G329 S333	G329-G331 PolarHBondContact O-N 2.84Å; G331-S333 PolarHBondContact O-N 3.22Å
332	T	22.4	Very low	27.8	Very low	148 Å²	148	96.2 Å²	96.2	91%	0.908	64%	0.642	S	S	*	*			trans	-51.1	91	168.1	15.7	0	0	0	0	111.3	A334	T332-A334 PolarHBondContact O-N 3.35Å; T332-A334 VanDerWaalsContact O-N 3.16Å
333	S	23.5	Very low	29.1	Very low	100 Å²	100	94.6 Å²	94.6	70%	0.699	63%	0.628	S	S	*	*			trans	-80.1	93.6	168.5	47.8	0	0	0	0	109	G331 S335	G331-S333 PolarHBondContact O-N 3.22Å; S333-S335 PolarHBondContact O-N 2.89Å
334	A	23.8	Very low	30.3	Very low	92 Å²	92	92.8 Å²	92.8	76%	0.76	62%	0.62	S	S	*	*			trans	-55.6	102.1	164.2	0	0	0	0	0	108.8	T332 S336	T332-A334 PolarHBondContact O-N 3.35Å; T332-A334 VanDerWaalsContact O-N 3.16Å; A334-S336 PolarHBondContact O-N 3.29Å
335	S	23.3	Very low	31.8	Very low	58 Å²	58	89.2 Å²	89.2	41%	0.406	60%	0.601	S	S	.	*			trans	-73.4	79.1	169.8	-178.7	0	0	0	0	108.1	S333 V337 R497	S333-S335 PolarHBondContact O-N 2.89Å; S335-V337 PolarHBondContact O-N 2.81Å; S335-R497 PolarHBondContact O-NH2 3.47Å; S335-R497 PolarHBondContact OG-NH2 2.99Å
336	S	25.7	Very low	33.9	Very low	82 Å²	82	83.4 Å²	83.4	57%	0.573	57%	0.565	S	S	*	*			trans	-55.1	128.1	169.2	53.7	0	0	0	0	108.8	A334 L338	A334-S336 PolarHBondContact O-N 3.29Å; S336-L338 PolarHBondContact O-N 3.36Å
337	V	28.6	Very low	35.9	Very low	42 Å²	42	76.9 Å²	76.9	26%	0.255	53%	0.525	S	S	.	.			trans	-63.1	90.4	164.1	177.5	0	0	0	0	106.2	S335 T339	S335-V337 PolarHBondContact O-N 2.81Å; V337-T339 PolarHBondContact O-N 3.27Å
338	L	28.6	Very low	38.3	Very low	140 Å²	140	73.1 Å²	73.1	73%	0.733	50%	0.503	S	S	*	.			trans	-67.3	92.7	159.6	-81.6	159.7	0	0	0	106	S336	S336-L338 PolarHBondContact O-N 3.36Å
339	T	41.7	Very low	40.6	Very low	37 Å²	37	68 Å²	68	23%	0.227	46%	0.462	C	S	.	.			trans	-49.9	132	151.6	36.5	0	0	0	0	106.8	Y268 V337	Y268-T339 HydrophobicContact CE2-CG2 4.41Å; V337-T339 PolarHBondContact O-N 3.27Å
340	P	33.9	Very low	43	Very low	43 Å²	43	65.5 Å²	65.5	28%	0.279	43%	0.432	S	S	.	.			trans	-55.8	133	179	22.3	-30.5	0	0	0	107.6	I342	P340-I342 PolarHBondContact O-N 3.01Å
341	P	37.3	Very low	45.8	Very low	42 Å²	42	61.3 Å²	61.3	27%	0.273	40%	0.401	S	S	.	.			trans	-55	113	176.7	22.1	-30.9	0	0	0	107.8	N343	P341-N343 VanDerWaalsContact C-N 3.29Å; P341-N343 PolarHBondContact O-N 3.47Å
342	I	50	Low	48.5	Very low	42 Å²	42	58.5 Å²	58.5	22%	0.215	37%	0.372	C	S	.	.			trans	-73.4	90	-179.5	-59.9	176.4	0	0	0	106.6	Y293 C297 P340 T347	Y293-I342 HydrophobicContact CE1-CD1 4.29Å; Y293-I342 WeakPolarHBondContact OH-CD1 3.25Å; C297-I342 HydrophobicContact CB-CD1 4.42Å; P340-I342 PolarHBondContact O-N 3.01Å; I342-T347 HydrophobicContact CG2-CG2 3.95Å; I342-T347 WeakPolarHBondContact CG2-OG1 3.24Å
343	N	52.8	Low	51.2	Low	105 Å²	105	51.8 Å²	51.8	56%	0.561	33%	0.33	S	S	*	.			trans	-67.7	139.3	160.8	-82.9	-2.8	0	0	0	108.4	P341 S345 N346	P341-N343 VanDerWaalsContact C-N 3.29Å; P341-N343 PolarHBondContact O-N 3.47Å; N343-S345 PolarHBondContact O-N 3.4Å; N343-N346 PolarHBondContact O-N 3.15Å
344	S	50	Low	53.9	Low	85 Å²	85	48.8 Å²	48.8	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-30.2	-178.7	58.4	0	0	0	0	114.6
345	S	55.8	Low	56.8	Low	68 Å²	68	44.8 Å²	44.8	48%	0.476	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.1	178.7	61.9	0	0	0	0	114	N343 S382	N343-S345 PolarHBondContact O-N 3.4Å; S345-S382 WeakPolarHBondContact O-CB 3.31Å
346	N	69	Low	59.5	Low	12 Å²	12	42 Å²	42	6%	0.064	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-5.3	-167.1	-60.3	-18.7	0	0	0	114.2	N343 C348 A349 H350 S382 S384	N343-N346 PolarHBondContact O-N 3.15Å; N346-C348 VanDerWaalsContact C-N 3.32Å; N346-C348 PolarHBondContact O-N 3.46Å; N346-A349 WeakPolarHBondContact O-CB 3.48Å; N346-A349 PolarHBondContact O-N 3.24Å; N346-A349 VanDerWaalsContact O-N 3.08Å; N346-H350 PolarHBondContact O-CD2 2.84Å; N346-H350 VanDerWaalsContact O-CD2 3.27Å; N346-H350 PolarHBondContact O-N 3.31Å; N346-S382 WeakPolarHBondContact OD1-CB 3.42Å; N346-S382 PolarHBondContact OD1-OG 3.44Å; N346-S384 WeakPolarHBondContact ND2-CB 3.49Å; N346-S384 PolarHBondContact ND2-OG 2.9Å; N346-S384 WeakPolarHBondContact OD1-CB 3.24Å
347	T	69.7	Low	62	Low	5 Å²	5	39.6 Å²	39.6	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-45.8	-174.3	-47	0	0	0	0	111.9	F294 M298 I342 A349 H350 M351	F294-T347 HydrophobicContact CD1-CG2 3.64Å; F294-T347 HydrophobicContact CE1-CG2 4.29Å; M298-T347 HydrophobicContact CG-CG2 3.87Å; I342-T347 HydrophobicContact CG2-CG2 3.95Å; I342-T347 WeakPolarHBondContact CG2-OG1 3.24Å; T347-A349 PolarHBondContact O-N 3.45Å; T347-H350 PolarHBondContact O-N 3.22Å; T347-M351 WeakPolarHBondContact O-CB 3.22Å; T347-M351 PolarHBondContact O-N 2.88Å
348	C	73.3	Confident	64.6	Low	57 Å²	57	37.9 Å²	37.9	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-37.4	178.1	-59.1	0	0	0	0	112.4	N346 M351 A352 K378	N346-C348 VanDerWaalsContact C-N 3.32Å; N346-C348 PolarHBondContact O-N 3.46Å; C348-M351 PolarHBondContact O-N 3.35Å; C348-A352 PolarHBondContact O-N 3.3Å; C348-K378 HydrophobicContact CB-CD 4.17Å; C348-K378 HydrophobicContact CB-CG 4.42Å
349	A	73	Confident	67.3	Low	1 Å²	1	31.5 Å²	31.5	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-46.8	176.2	0	0	0	0	0	111	N346 T347 M351 A352 V353 K378 S379	N346-A349 WeakPolarHBondContact O-CB 3.48Å; N346-A349 PolarHBondContact O-N 3.24Å; N346-A349 VanDerWaalsContact O-N 3.08Å; T347-A349 PolarHBondContact O-N 3.45Å; A349-M351 VanDerWaalsContact C-N 3.34Å; A349-M351 PolarHBondContact O-N 3.48Å; A349-A352 PolarHBondContact O-N 3.38Å; A349-V353 VanDerWaalsContact O-CG2 3.3Å; A349-V353 WeakPolarHBondContact O-CG2 3.43Å; A349-V353 PolarHBondContact O-N 2.81Å; A349-K378 HydrophobicContact CB-CB 4.04Å; A349-S379 WeakPolarHBondContact CB-OG 3.33Å
350	H	74.5	Confident	68.9	Low	13 Å²	13	31.1 Å²	31.1	6%	0.06	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-35	175.7	-76.1	-71.2	0	0	0	112.8	F294 N346 T347 V353 T354	F294-H350 HydrophobicContact CE1-CB 4.21Å; F294-H350 HydrophobicContact CZ-CB 4.4Å; N346-H350 PolarHBondContact O-CD2 2.84Å; N346-H350 VanDerWaalsContact O-CD2 3.27Å; N346-H350 PolarHBondContact O-N 3.31Å; T347-H350 PolarHBondContact O-N 3.22Å; H350-V353 PolarHBondContact O-N 3Å; H350-T354 WeakPolarHBondContact O-CB 3.38Å; H350-T354 VanDerWaalsContact O-CG2 3.28Å; H350-T354 WeakPolarHBondContact O-CG2 3.21Å; H350-T354 PolarHBondContact O-N 3.48Å; H350-T354 PolarHBondContact O-OG1 3.36Å
351	M	80.1	Confident	70.9	Confident	52 Å²	52	33.6 Å²	33.6	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-48.3	173.5	-177.4	177.8	69.9	0	0	111.8	F294 T347 C348 A349 V353 T354 G355	F294-M351 HydrophobicContact CB-CG 4.4Å; F294-M351 HydrophobicContact CB-SD 4.01Å; F294-M351 HydrophobicContact CD1-CB 3.95Å; F294-M351 HydrophobicContact CD2-CB 3.66Å; F294-M351 HydrophobicContact CD2-CG 3.48Å; F294-M351 VanDerWaalsContact CD2-CG 3.48Å; F294-M351 HydrophobicContact CD2-SD 4.15Å; F294-M351 HydrophobicContact CE1-CB 3.97Å; F294-M351 VanDerWaalsContact CE2-CA 3.42Å; F294-M351 HydrophobicContact CE2-CB 3.7Å; F294-M351 HydrophobicContact CE2-CG 3.83Å; F294-M351 HydrophobicContact CG-CB 3.8Å; F294-M351 HydrophobicContact CG-CG 3.9Å; F294-M351 HydrophobicContact CG-SD 4.15Å; F294-M351 HydrophobicContact CZ-CB 3.86Å; F294-M351 HydrophobicContact CZ-CG 4.49Å; T347-M351 WeakPolarHBondContact O-CB 3.22Å; T347-M351 PolarHBondContact O-N 2.88Å; C348-M351 PolarHBondContact O-N 3.35Å; A349-M351 VanDerWaalsContact C-N 3.34Å; A349-M351 PolarHBondContact O-N 3.48Å; M351-V353 PolarHBondContact O-N 2.8Å; M351-T354 WeakPolarHBondContact CA-OG1 3.45Å; M351-T354 PolarHBondContact O-N 3.49Å; M351-T354 PolarHBondContact O-OG1 2.92Å; M351-G355 PolarHBondContact O-N 3.34Å
352	A	80.5	Confident	72.7	Confident	5 Å²	5	33.6 Å²	33.6	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.9	0	0	0	0	0	111.8	C348 A349 A356 A375	C348-A352 PolarHBondContact O-N 3.3Å; A349-A352 PolarHBondContact O-N 3.38Å; A352-A356 VanDerWaalsContact O-CB 3.28Å; A352-A356 WeakPolarHBondContact O-CB 3.21Å; A352-A356 PolarHBondContact O-N 3.36Å; A352-A375 HydrophobicContact CB-CB 3.51Å
353	V	79.9	Confident	73.7	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-48.8	173.9	169.7	0	0	0	0	111.9	A349 H350 M351 A356 A357 A375 H390 V391	A349-V353 VanDerWaalsContact O-CG2 3.3Å; A349-V353 WeakPolarHBondContact O-CG2 3.43Å; A349-V353 PolarHBondContact O-N 2.81Å; H350-V353 PolarHBondContact O-N 3Å; M351-V353 PolarHBondContact O-N 2.8Å; V353-A356 PolarHBondContact O-N 3.09Å; V353-A357 WeakPolarHBondContact O-CB 3.41Å; V353-A357 PolarHBondContact O-N 3.43Å; V353-A375 HydrophobicContact CG2-CB 3.83Å; V353-H390 HydrophobicContact CG1-CB 3.65Å; V353-V391 HydrophobicContact CG2-CB 4.47Å; V353-V391 HydrophobicContact CG2-CG2 3.41Å; V353-V391 VanDerWaalsContact CG2-CG2 3.41Å
354	T	80.9	Confident	75.1	Confident	37 Å²	37	31.7 Å²	31.7	23%	0.227	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-38.2	-178.6	48.4	0	0	0	0	111.2	F294 H350 M351 A357 M358	F294-T354 VanDerWaalsContact CE2-OG1 3.26Å; F294-T354 WeakPolarHBondContact CE2-OG1 3.28Å; F294-T354 HydrophobicContact CZ-CG2 4.38Å; F294-T354 WeakPolarHBondContact CZ-OG1 3.39Å; H350-T354 WeakPolarHBondContact O-CB 3.38Å; H350-T354 VanDerWaalsContact O-CG2 3.28Å; H350-T354 WeakPolarHBondContact O-CG2 3.21Å; H350-T354 PolarHBondContact O-N 3.48Å; H350-T354 PolarHBondContact O-OG1 3.36Å; M351-T354 WeakPolarHBondContact CA-OG1 3.45Å; M351-T354 PolarHBondContact O-N 3.49Å; M351-T354 PolarHBondContact O-OG1 2.92Å; T354-A357 PolarHBondContact O-N 3.22Å; T354-M358 WeakPolarHBondContact O-CB 3.39Å; T354-M358 PolarHBondContact O-N 3.37Å
355	G	83.5	Confident	76.1	Confident	7 Å²	7	30.2 Å²	30.2	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-44.2	170.6	0	0	0	0	0	112.5	M351 A357 M358 H359	M351-G355 PolarHBondContact O-N 3.34Å; G355-A357 PolarHBondContact O-N 3.3Å; G355-M358 PolarHBondContact O-N 2.87Å; G355-H359 PolarHBondContact O-CD2 3.2Å; G355-H359 VanDerWaalsContact O-CD2 3.26Å; G355-H359 PolarHBondContact O-N 2.55Å
356	A	80.8	Confident	77.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-42.3	175	0	0	0	0	0	111.8	A352 V353 H359 L360 L371 I372 T394	A352-A356 VanDerWaalsContact O-CB 3.28Å; A352-A356 WeakPolarHBondContact O-CB 3.21Å; A352-A356 PolarHBondContact O-N 3.36Å; V353-A356 PolarHBondContact O-N 3.09Å; A356-H359 PolarHBondContact O-N 3.42Å; A356-L360 VanDerWaalsContact O-CB 3.32Å; A356-L360 WeakPolarHBondContact O-CB 3.22Å; A356-L360 PolarHBondContact O-N 3.35Å; A356-L371 HydrophobicContact CB-CB 3.95Å; A356-I372 HydrophobicContact CB-CB 4.48Å; A356-I372 HydrophobicContact CB-CD1 4.49Å; A356-T394 HydrophobicContact CB-CG2 3.89Å
357	A	78.9	Confident	77.8	Confident	32 Å²	32	39.3 Å²	39.3	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-66.5	-38.5	176	0	0	0	0	0	112.7	V353 T354 G355 L360 N361	V353-A357 WeakPolarHBondContact O-CB 3.41Å; V353-A357 PolarHBondContact O-N 3.43Å; T354-A357 PolarHBondContact O-N 3.22Å; G355-A357 PolarHBondContact O-N 3.3Å; A357-L360 WeakPolarHBondContact O-CB 2.99Å; A357-L360 PolarHBondContact O-N 2.78Å; A357-N361 PolarHBondContact O-N 2.94Å
358	M	83.4	Confident	78.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-52.4	172.4	172	179.1	82.2	0	0	110.5	L278 L283 A286 E287 T354 G355 L360 N361 F362	L278-M358 HydrophobicContact CD2-CB 4.25Å; L278-M358 HydrophobicContact CD2-CG 3.78Å; L283-M358 HydrophobicContact CD1-CE 4.25Å; L283-M358 HydrophobicContact CD1-SD 4.49Å; A286-M358 HydrophobicContact CB-SD 3.91Å; E287-M358 HydrophobicContact CB-CE 3.82Å; E287-M358 HydrophobicContact CB-SD 4.33Å; E287-M358 HydrophobicContact CG-CE 4.01Å; T354-M358 WeakPolarHBondContact O-CB 3.39Å; T354-M358 PolarHBondContact O-N 3.37Å; G355-M358 PolarHBondContact O-N 2.87Å; M358-L360 VanDerWaalsContact C-N 3.28Å; M358-L360 PolarHBondContact O-N 2.78Å; M358-N361 WeakPolarHBondContact O-CB 3.19Å; M358-N361 PolarHBondContact O-N 2.98Å; M358-N361 VanDerWaalsContact O-N 3.08Å; M358-F362 HydrophobicContact CG-CD2 3.86Å; M358-F362 HydrophobicContact CG-CE2 3.82Å; M358-F362 VanDerWaalsContact O-CD2 3.23Å; M358-F362 WeakPolarHBondContact O-CD2 3.42Å; M358-F362 PolarHBondContact O-N 2.97Å; M358-F362 VanDerWaalsContact O-N 3.08Å
359	H	83.6	Confident	78.5	Confident	7 Å²	7	39.2 Å²	39.2	3%	0.032	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-34.4	179.5	-80.3	-56.9	0	0	0	112.8	G355 A356 F362 G363 H364 K367 L371	G355-H359 PolarHBondContact O-CD2 3.2Å; G355-H359 VanDerWaalsContact O-CD2 3.26Å; G355-H359 PolarHBondContact O-N 2.55Å; A356-H359 PolarHBondContact O-N 3.42Å; H359-F362 CarbonylContact O-C 3.58Å; H359-F362 PolarHBondContact O-N 2.9Å; H359-G363 PolarHBondContact O-N 3.4Å; H359-G363 VanDerWaalsContact O-N 3.09Å; H359-H364 HydrophobicContact CB-CB 3.99Å; H359-H364 AromaticContact ND1-CG 3.98Å; H359-H364 AromaticContact ND1-ND1 3.46Å; H359-H364 PolarHBondContact ND1-ND1 2.98Å; H359-H364 PolarHBondContact O-N 3.24Å; H359-K367 HydrophobicContact CB-CB 4.41Å; H359-L371 WeakPolarHBondContact CD2-CD1 3.38Å
360	L	76.3	Confident	79	Confident	28 Å²	28	43 Å²	43	15%	0.147	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-47.8	169.6	175.5	65.3	0	0	0	111.4	A356 A357 M358 F362 G363 W365 L397 L398	A356-L360 VanDerWaalsContact O-CB 3.32Å; A356-L360 WeakPolarHBondContact O-CB 3.22Å; A356-L360 PolarHBondContact O-N 3.35Å; A357-L360 WeakPolarHBondContact O-CB 2.99Å; A357-L360 PolarHBondContact O-N 2.78Å; M358-L360 VanDerWaalsContact C-N 3.28Å; M358-L360 PolarHBondContact O-N 2.78Å; L360-F362 VanDerWaalsContact C-N 3.25Å; L360-F362 PolarHBondContact O-N 3.41Å; L360-G363 PolarHBondContact O-N 3.41Å; L360-W365 HydrophobicContact CD1-CE3 3.81Å; L360-W365 HydrophobicContact CD1-CH2 3.29Å; L360-W365 HydrophobicContact CD1-CZ2 4.2Å; L360-W365 HydrophobicContact CD1-CZ3 3.06Å; L360-L397 HydrophobicContact CD2-CB 3.86Å; L360-L397 HydrophobicContact CD2-CD1 3.9Å; L360-L398 HydrophobicContact CB-CD2 4.3Å; L360-L398 HydrophobicContact CD1-CD2 3.86Å; L360-L398 HydrophobicContact CD1-CG 4.47Å
361	N	75.9	Confident	79.4	Confident	96 Å²	96	44.3 Å²	44.3	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-34.5	177.5	-79.5	-25.2	0	0	0	112.8	R281 A357 M358 G363	R281-N361 PolarHBondContact NH1-O 3.21Å; A357-N361 PolarHBondContact O-N 2.94Å; M358-N361 WeakPolarHBondContact O-CB 3.19Å; M358-N361 PolarHBondContact O-N 2.98Å; M358-N361 VanDerWaalsContact O-N 3.08Å; N361-G363 VanDerWaalsContact C-N 3.35Å
362	F	75.2	Confident	79.5	Confident	41 Å²	41	42 Å²	42	18%	0.18	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.2	175.2	-74.4	-75.2	0	0	0	114.4	L278 R281 L283 A286 M358 H359 L360 H364	L278-F362 HydrophobicContact CD2-CE2 3.77Å; L278-F362 HydrophobicContact CD2-CZ 4.42Å; R281-F362 HydrophobicContact CB-CE1 4.31Å; L283-F362 HydrophobicContact CB-CD1 4.3Å; L283-F362 HydrophobicContact CB-CE1 3.99Å; L283-F362 HydrophobicContact CB-CE2 4.22Å; L283-F362 HydrophobicContact CB-CZ 3.96Å; L283-F362 HydrophobicContact CD1-CD1 4.47Å; L283-F362 HydrophobicContact CD1-CD2 3.44Å; L283-F362 VanDerWaalsContact CD1-CD2 3.44Å; L283-F362 HydrophobicContact CD1-CE2 3.61Å; L283-F362 HydrophobicContact CD1-CG 3.92Å; L283-F362 HydrophobicContact CD1-CZ 4.23Å; A286-F362 HydrophobicContact CB-CE2 4.45Å; M358-F362 HydrophobicContact CG-CD2 3.86Å; M358-F362 HydrophobicContact CG-CE2 3.82Å; M358-F362 VanDerWaalsContact O-CD2 3.23Å; M358-F362 WeakPolarHBondContact O-CD2 3.42Å; M358-F362 PolarHBondContact O-N 2.97Å; M358-F362 VanDerWaalsContact O-N 3.08Å; H359-F362 CarbonylContact O-C 3.58Å; H359-F362 PolarHBondContact O-N 2.9Å; L360-F362 VanDerWaalsContact C-N 3.25Å; L360-F362 PolarHBondContact O-N 3.41Å; F362-H364 VanDerWaalsContact C-N 3.32Å
363	G	71.5	Confident	79.6	Confident	34 Å²	34	49.3 Å²	49.3	35%	0.351	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	16.1	-178	0	0	0	0	0	114.5	H359 L360 N361 W365	H359-G363 PolarHBondContact O-N 3.4Å; H359-G363 VanDerWaalsContact O-N 3.09Å; L360-G363 PolarHBondContact O-N 3.41Å; N361-G363 VanDerWaalsContact C-N 3.35Å; G363-W365 VanDerWaalsContact C-N 3.3Å; G363-W365 PolarHBondContact O-N 2.83Å; G363-W365 VanDerWaalsContact O-N 3.11Å; G363-W365 PolarHBondContact O-NE1 2.95Å
364	H	80.8	Confident	79.7	Confident	74 Å²	74	53.4 Å²	53.4	34%	0.343	27%	0.268	S	S	.	.			trans	-85.6	67.4	177.1	-65.5	179.1	0	0	0	111.1	L283 H359 F362 Y366 K367 G368	L283-H364 VanDerWaalsContact CD2-CE1 3.47Å; L283-H364 WeakPolarHBondContact CD2-CE1 3.27Å; H359-H364 HydrophobicContact CB-CB 3.99Å; H359-H364 AromaticContact ND1-CG 3.98Å; H359-H364 AromaticContact ND1-ND1 3.46Å; H359-H364 PolarHBondContact ND1-ND1 2.98Å; H359-H364 PolarHBondContact O-N 3.24Å; F362-H364 VanDerWaalsContact C-N 3.32Å; H364-Y366 PolarHBondContact O-N 3.36Å; H364-K367 HydrophobicContact CB-CB 4.3Å; H364-K367 PolarHBondContact O-N 3.29Å; H364-G368 PolarHBondContact O-N 2.7Å
365	W	72.6	Confident	79.8	Confident	54 Å²	54	51.6 Å²	51.6	21%	0.205	26%	0.257	C	S	.	.	H	α-helix	trans	-55.2	-48	-173.1	-57.9	97.6	0	0	0	113.9	L360 G363 K367 G368 K369 L398 H655 P657	L360-W365 HydrophobicContact CD1-CE3 3.81Å; L360-W365 HydrophobicContact CD1-CH2 3.29Å; L360-W365 HydrophobicContact CD1-CZ2 4.2Å; L360-W365 HydrophobicContact CD1-CZ3 3.06Å; G363-W365 VanDerWaalsContact C-N 3.3Å; G363-W365 PolarHBondContact O-N 2.83Å; G363-W365 VanDerWaalsContact O-N 3.11Å; G363-W365 PolarHBondContact O-NE1 2.95Å; W365-K367 PolarHBondContact O-N 3.25Å; W365-G368 PolarHBondContact O-N 3.26Å; W365-K369 WeakPolarHBondContact O-CB 3.46Å; W365-K369 WeakPolarHBondContact O-CG 3.39Å; W365-K369 PolarHBondContact O-N 2.8Å; W365-L398 HydrophobicContact CE3-CD2 3.9Å; W365-L398 HydrophobicContact CZ3-CD2 4.3Å; W365-H655 HydrophobicContact CG-CB 4.14Å; W365-P657 HydrophobicContact CH2-CB 4.33Å; W365-P657 HydrophobicContact CZ2-CB 3.64Å; W365-P657 HydrophobicContact CZ2-CG 4.05Å
366	Y	76.9	Confident	79.7	Confident	156 Å²	156	53.7 Å²	53.7	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-60.4	-46.4	-179.7	-99.4	-84.2	0	0	0	112.3	H364 K369 C370 H655	H364-Y366 PolarHBondContact O-N 3.36Å; Y366-K369 PolarHBondContact O-N 3.47Å; Y366-C370 PolarHBondContact O-N 3.36Å; Y366-C370 PolarHBondContact O-SG 3.2Å; Y366-C370 VanDerWaalsContact O-SG 3.37Å; Y366-H655 AromaticContact CD2-NE2 3.39Å; Y366-H655 WeakPolarHBondContact CD2-NE2 3.46Å; Y366-H655 AromaticContact CE2-CE1 3.92Å; Y366-H655 AromaticContact CE2-NE2 3.1Å; Y366-H655 WeakPolarHBondContact CE2-NE2 3.39Å
367	K	81.9	Confident	79.8	Confident	115 Å²	115	58.9 Å²	58.9	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.3	-71.3	-169.3	173.5	-168.9	0	111.3	H359 H364 W365 K369 C370 L371	H359-K367 HydrophobicContact CB-CB 4.41Å; H364-K367 HydrophobicContact CB-CB 4.3Å; H364-K367 PolarHBondContact O-N 3.29Å; W365-K367 PolarHBondContact O-N 3.25Å; K367-K369 VanDerWaalsContact C-N 3.31Å; K367-K369 PolarHBondContact O-N 3.48Å; K367-C370 PolarHBondContact O-N 3.02Å; K367-L371 WeakPolarHBondContact O-CG 3.1Å; K367-L371 PolarHBondContact O-N 3.18Å
368	G	79.8	Confident	79.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-43	173.6	0	0	0	0	0	112.5	H364 W365 L371 I372 L398	H364-G368 PolarHBondContact O-N 2.7Å; W365-G368 PolarHBondContact O-N 3.26Å; G368-L371 PolarHBondContact O-N 3.27Å; G368-I372 WeakPolarHBondContact O-CB 3.43Å; G368-I372 PolarHBondContact O-N 2.87Å; G368-L398 WeakPolarHBondContact O-CD1 3.37Å
369	K	78.4	Confident	79.6	Confident	59 Å²	59	60.3 Å²	60.3	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-32	176.7	-74.9	-172.7	-177.3	-165.5	0	113.7	W365 Y366 K367 I372 K373 L398 N399	W365-K369 WeakPolarHBondContact O-CB 3.46Å; W365-K369 WeakPolarHBondContact O-CG 3.39Å; W365-K369 PolarHBondContact O-N 2.8Å; Y366-K369 PolarHBondContact O-N 3.47Å; K367-K369 VanDerWaalsContact C-N 3.31Å; K367-K369 PolarHBondContact O-N 3.48Å; K369-I372 WeakPolarHBondContact O-CG2 3.47Å; K369-K373 WeakPolarHBondContact O-CG 3.49Å; K369-L398 WeakPolarHBondContact CE-O 3.46Å; K369-L398 HydrophobicContact CG-CB 4.33Å; K369-N399 WeakPolarHBondContact CE-OD1 3.31Å; K369-N399 PolarHBondContact NZ-OD1 2.64Å
370	C	83.6	Confident	79.4	Confident	82 Å²	82	63.3 Å²	63.3	55%	0.554	31%	0.307	S	S	*	.	H	α-helix	trans	-70.1	-47.2	172.7	-66.9	0	0	0	0	110.7	Y366 K367 I372 K373 E374	Y366-C370 PolarHBondContact O-N 3.36Å; Y366-C370 PolarHBondContact O-SG 3.2Å; Y366-C370 VanDerWaalsContact O-SG 3.37Å; K367-C370 PolarHBondContact O-N 3.02Å; C370-I372 VanDerWaalsContact C-N 3.33Å; C370-I372 PolarHBondContact O-N 3Å; C370-K373 WeakPolarHBondContact O-CB 3.43Å; C370-K373 PolarHBondContact O-N 3.11Å; C370-E374 PolarHBondContact O-N 2.89Å
371	L	83.6	Confident	79.6	Confident	40 Å²	40	67.2 Å²	67.2	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-32	-179.2	-71.4	168.2	0	0	0	113	A356 H359 K367 G368 K373 E374 A375	A356-L371 HydrophobicContact CB-CB 3.95Å; H359-L371 WeakPolarHBondContact CD2-CD1 3.38Å; K367-L371 WeakPolarHBondContact O-CG 3.1Å; K367-L371 PolarHBondContact O-N 3.18Å; G368-L371 PolarHBondContact O-N 3.27Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.81Å; L371-E374 PolarHBondContact O-N 3.19Å; L371-A375 VanDerWaalsContact O-CB 3.29Å; L371-A375 WeakPolarHBondContact O-CB 3.2Å; L371-A375 PolarHBondContact O-N 3.02Å
372	I	81.4	Confident	79.4	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-69	-31.5	176.5	-160.9	62.1	0	0	0	112.3	A356 G368 K369 C370 A375 L376 V391 T394 H395 L398	A356-I372 HydrophobicContact CB-CB 4.48Å; A356-I372 HydrophobicContact CB-CD1 4.49Å; G368-I372 WeakPolarHBondContact O-CB 3.43Å; G368-I372 PolarHBondContact O-N 2.87Å; K369-I372 WeakPolarHBondContact O-CG2 3.47Å; C370-I372 VanDerWaalsContact C-N 3.33Å; C370-I372 PolarHBondContact O-N 3Å; I372-A375 HydrophobicContact CD1-CB 4.27Å; I372-A375 PolarHBondContact O-N 3.04Å; I372-L376 WeakPolarHBondContact O-CB 2.98Å; I372-L376 PolarHBondContact O-N 2.96Å; I372-V391 HydrophobicContact CD1-CB 4.37Å; I372-V391 HydrophobicContact CD1-CG1 3.95Å; I372-V391 HydrophobicContact CG1-CG1 4.35Å; I372-T394 HydrophobicContact CD1-CG2 3.84Å; I372-H395 HydrophobicContact CG1-CB 4Å; I372-L398 HydrophobicContact CB-CD1 3.92Å; I372-L398 HydrophobicContact CG1-CD1 4.35Å; I372-L398 HydrophobicContact CG2-CD1 4.04Å
373	K	82.5	Confident	79.1	Confident	158 Å²	158	70.1 Å²	70.1	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-65.5	-43.3	173.4	-71.3	177.8	178.4	-175.9	0	110.7	K369 C370 L371 L376 Q377	K369-K373 WeakPolarHBondContact O-CG 3.49Å; C370-K373 WeakPolarHBondContact O-CB 3.43Å; C370-K373 PolarHBondContact O-N 3.11Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.81Å; K373-L376 PolarHBondContact O-N 2.91Å; K373-Q377 PolarHBondContact O-N 3.36Å
374	E	83.1	Confident	78.8	Confident	92 Å²	92	69.2 Å²	69.2	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-43.1	174.3	-172.8	176.8	178.3	0	0	111.6	C370 L371 L376 Q377 K378	C370-E374 PolarHBondContact O-N 2.89Å; L371-E374 PolarHBondContact O-N 3.19Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.49Å; E374-Q377 PolarHBondContact O-N 3.24Å; E374-K378 HydrophobicContact CG-CG 4.39Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.36Å; E374-K378 PolarHBondContact O-N 3.2Å
375	A	81.9	Confident	78.3	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-39.9	176.6	0	0	0	0	0	112.6	A352 V353 L371 I372 S379 V391	A352-A375 HydrophobicContact CB-CB 3.51Å; V353-A375 HydrophobicContact CG2-CB 3.83Å; L371-A375 VanDerWaalsContact O-CB 3.29Å; L371-A375 WeakPolarHBondContact O-CB 3.2Å; L371-A375 PolarHBondContact O-N 3.02Å; I372-A375 HydrophobicContact CD1-CB 4.27Å; I372-A375 PolarHBondContact O-N 3.04Å; A375-S379 VanDerWaalsContact O-CB 3.26Å; A375-S379 WeakPolarHBondContact O-CB 3.43Å; A375-S379 PolarHBondContact O-N 3.45Å; A375-S379 PolarHBondContact O-OG 3.28Å; A375-V391 HydrophobicContact CB-CG2 3.93Å
376	L	81.5	Confident	77.9	Confident	50 Å²	50	72.3 Å²	72.3	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-52.3	173.9	179.5	61.3	0	0	0	110.4	I372 K373 E374 K378 S379 L380 L388 V391 F405	I372-L376 WeakPolarHBondContact O-CB 2.98Å; I372-L376 PolarHBondContact O-N 2.96Å; K373-L376 PolarHBondContact O-N 2.91Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 3.49Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 2.95Å; L376-S379 PolarHBondContact O-N 3.14Å; L376-L380 HydrophobicContact CD1-CD1 4.09Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CG-CD1 4.08Å; L376-L380 VanDerWaalsContact O-CG 3.27Å; L376-L380 WeakPolarHBondContact O-CG 3.29Å; L376-L380 PolarHBondContact O-N 2.87Å; L376-L388 HydrophobicContact CD1-CD1 3.88Å; L376-V391 HydrophobicContact CB-CG1 3.99Å; L376-V391 HydrophobicContact CD1-CG1 4.02Å; L376-F405 HydrophobicContact CD1-CE2 3.86Å; L376-F405 HydrophobicContact CD1-CZ 4.01Å
377	Q	83.7	Confident	77.6	Confident	109 Å²	109	64.9 Å²	64.9	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-54.1	-48.6	177.9	-179.1	-179.7	-10.5	0	0	111.3	K373 E374 S379 L380 E381	K373-Q377 PolarHBondContact O-N 3.36Å; E374-Q377 PolarHBondContact O-N 3.24Å; Q377-S379 PolarHBondContact O-N 3.37Å; Q377-L380 PolarHBondContact O-N 3.29Å; Q377-E381 VanDerWaalsContact CG-OE1 3.31Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.37Å; Q377-E381 PolarHBondContact NE2-OE1 2.8Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 3.01Å
378	K	80.8	Confident	77.3	Confident	65 Å²	65	60.8 Å²	60.8	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-35.5	-179.2	-67	-71.2	160.7	-155.3	0	113.4	C348 A349 E374 L376 L380 E381 S382	C348-K378 HydrophobicContact CB-CD 4.17Å; C348-K378 HydrophobicContact CB-CG 4.42Å; A349-K378 HydrophobicContact CB-CB 4.04Å; E374-K378 HydrophobicContact CG-CG 4.39Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.36Å; E374-K378 PolarHBondContact O-N 3.2Å; L376-K378 VanDerWaalsContact C-N 3.31Å; L376-K378 PolarHBondContact O-N 2.95Å; K378-L380 VanDerWaalsContact C-N 3.33Å; K378-E381 WeakPolarHBondContact CD-OE2 3.4Å; K378-E381 IonicContact NZ-OE1 3.28Å; K378-E381 IonicContact NZ-OE2 2.83Å; K378-E381 PolarHBondContact NZ-OE2 3.27Å; K378-E381 PolarHBondContact O-N 3.49Å; K378-S382 WeakPolarHBondContact O-CB 3.47Å; K378-S382 PolarHBondContact O-N 3.04Å; K378-S382 PolarHBondContact O-OG 3.08Å
379	S	77.1	Confident	76.8	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-34	175.4	-62.1	0	0	0	0	112.3	A349 A375 L376 Q377 S382 E383 S384 S387 V391	A349-S379 WeakPolarHBondContact CB-OG 3.33Å; A375-S379 VanDerWaalsContact O-CB 3.26Å; A375-S379 WeakPolarHBondContact O-CB 3.43Å; A375-S379 PolarHBondContact O-N 3.45Å; A375-S379 PolarHBondContact O-OG 3.28Å; L376-S379 PolarHBondContact O-N 3.14Å; Q377-S379 PolarHBondContact O-N 3.37Å; S379-S382 PolarHBondContact O-OG 3.11Å; S379-E383 PolarHBondContact O-N 3.03Å; S379-S384 PolarHBondContact O-N 2.88Å; S379-S387 VanDerWaalsContact CB-OG 3.24Å; S379-S387 WeakPolarHBondContact CB-OG 3.32Å; S379-S387 WeakPolarHBondContact OG-CB 3.29Å; S379-S387 PolarHBondContact OG-OG 3.03Å; S379-V391 WeakPolarHBondContact OG-CG2 3.43Å
380	L	79.6	Confident	76.4	Confident	69 Å²	69	60.9 Å²	60.9	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-72.3	-42.2	175.1	-66.1	175.3	0	0	0	111.2	L376 Q377 K378 S382 E383 L388 Y407	L376-L380 HydrophobicContact CD1-CD1 4.09Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CG-CD1 4.08Å; L376-L380 VanDerWaalsContact O-CG 3.27Å; L376-L380 WeakPolarHBondContact O-CG 3.29Å; L376-L380 PolarHBondContact O-N 2.87Å; Q377-L380 PolarHBondContact O-N 3.29Å; K378-L380 VanDerWaalsContact C-N 3.33Å; L380-S382 PolarHBondContact O-N 3.46Å; L380-E383 PolarHBondContact O-N 2.99Å; L380-L388 HydrophobicContact CD2-CD1 4.35Å; L380-Y407 HydrophobicContact CD1-CE2 4.46Å; L380-Y407 HydrophobicContact CD2-CD2 4.21Å; L380-Y407 HydrophobicContact CD2-CE2 3.28Å; L380-Y407 WeakPolarHBondContact CD2-OH 3.43Å; L380-Y407 HydrophobicContact CG-CE2 4.5Å
381	E	80.2	Confident	76	Confident	110 Å²	110	57 Å²	57	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-31.5	173.8	-73.8	171.3	-169.4	0	0	112.3	Q377 K378	Q377-E381 VanDerWaalsContact CG-OE1 3.31Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.37Å; Q377-E381 PolarHBondContact NE2-OE1 2.8Å; Q377-E381 WeakPolarHBondContact O-CG 3.47Å; Q377-E381 PolarHBondContact O-N 3.01Å; K378-E381 WeakPolarHBondContact CD-OE2 3.4Å; K378-E381 IonicContact NZ-OE1 3.28Å; K378-E381 IonicContact NZ-OE2 2.83Å; K378-E381 PolarHBondContact NZ-OE2 3.27Å; K378-E381 PolarHBondContact O-N 3.49Å
382	S	71	Confident	75.5	Confident	20 Å²	20	59 Å²	59	14%	0.14	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.3	-177.5	82.5	0	0	0	0	115.3	S345 N346 K378 S379 L380 S384	S345-S382 WeakPolarHBondContact O-CB 3.31Å; N346-S382 WeakPolarHBondContact OD1-CB 3.42Å; N346-S382 PolarHBondContact OD1-OG 3.44Å; K378-S382 WeakPolarHBondContact O-CB 3.47Å; K378-S382 PolarHBondContact O-N 3.04Å; K378-S382 PolarHBondContact O-OG 3.08Å; S379-S382 PolarHBondContact O-OG 3.11Å; L380-S382 PolarHBondContact O-N 3.46Å; S382-S384 PolarHBondContact O-N 3.15Å; S382-S384 WeakPolarHBondContact OG-CB 3.14Å
383	E	69.5	Low	74.9	Confident	178 Å²	178	59.5 Å²	59.5	83%	0.832	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	20.2	-175	-60.7	-171.8	169.8	0	0	115	S379 L380 K385	S379-E383 PolarHBondContact O-N 3.03Å; L380-E383 PolarHBondContact O-N 2.99Å; E383-K385 PolarHBondContact O-N 3.39Å
384	S	65	Low	74.3	Confident	15 Å²	15	52.5 Å²	52.5	11%	0.105	26%	0.256	C	S	.	.			trans	-85.8	118.8	-177.1	-179.2	0	0	0	0	112.7	N346 S379 S382 D386 S387 L388	N346-S384 WeakPolarHBondContact ND2-CB 3.49Å; N346-S384 PolarHBondContact ND2-OG 2.9Å; N346-S384 WeakPolarHBondContact OD1-CB 3.24Å; S379-S384 PolarHBondContact O-N 2.88Å; S382-S384 PolarHBondContact O-N 3.15Å; S382-S384 WeakPolarHBondContact OG-CB 3.14Å; S384-D386 VanDerWaalsContact C-N 3.28Å; S384-D386 PolarHBondContact O-N 3.21Å; S384-D386 PolarHBondContact OG-N 2.82Å; S384-S387 PolarHBondContact O-OG 2.75Å; S384-L388 PolarHBondContact O-N 2.69Å
385	K	69.4	Low	73.7	Confident	126 Å²	126	50 Å²	50	55%	0.548	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-29.5	175.9	-63.7	-178	-178.7	178	0	111.9	E383 L388 G389 V411 M413	E383-K385 PolarHBondContact O-N 3.39Å; K385-L388 PolarHBondContact O-N 2.83Å; K385-G389 PolarHBondContact O-N 3.23Å; K385-G389 VanDerWaalsContact O-N 3.14Å; K385-V411 HydrophobicContact CD-CG1 4.22Å; K385-M413 HydrophobicContact CB-CE 4.1Å; K385-M413 WeakPolarHBondContact O-CE 3.4Å
386	D	65.1	Low	73.1	Confident	67 Å²	67	52.4 Å²	52.4	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-71.3	-46.5	-174.5	-65.4	-11.8	0	0	0	111.2	S384 L388 G389 H390	S384-D386 VanDerWaalsContact C-N 3.28Å; S384-D386 PolarHBondContact O-N 3.21Å; S384-D386 PolarHBondContact OG-N 2.82Å; D386-L388 VanDerWaalsContact C-N 3.3Å; D386-L388 PolarHBondContact O-N 2.87Å; D386-G389 PolarHBondContact O-N 2.78Å; D386-H390 PolarHBondContact O-CD2 3.02Å; D386-H390 PolarHBondContact O-N 2.99Å
387	S	71	Confident	72.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-36.7	175.7	65.4	0	0	0	0	111.3	S379 S384 G389 H390 V391	S379-S387 VanDerWaalsContact CB-OG 3.24Å; S379-S387 WeakPolarHBondContact CB-OG 3.32Å; S379-S387 WeakPolarHBondContact OG-CB 3.29Å; S379-S387 PolarHBondContact OG-OG 3.03Å; S384-S387 PolarHBondContact O-OG 2.75Å; S387-G389 VanDerWaalsContact C-N 3.27Å; S387-G389 PolarHBondContact O-N 2.63Å; S387-H390 PolarHBondContact O-N 3.44Å; S387-H390 VanDerWaalsContact O-N 3.12Å; S387-V391 WeakPolarHBondContact O-CG2 3.28Å; S387-V391 PolarHBondContact O-N 2.69Å
388	L	74.3	Confident	71.4	Confident	30 Å²	30	48.2 Å²	48.2	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-36.1	176.3	-164.6	68.8	0	0	0	112.4	L376 L380 S384 K385 D386 V391 K392 F405 Y407	L376-L388 HydrophobicContact CD1-CD1 3.88Å; L380-L388 HydrophobicContact CD2-CD1 4.35Å; S384-L388 PolarHBondContact O-N 2.69Å; K385-L388 PolarHBondContact O-N 2.83Å; D386-L388 VanDerWaalsContact C-N 3.3Å; D386-L388 PolarHBondContact O-N 2.87Å; L388-V391 PolarHBondContact O-N 2.91Å; L388-K392 WeakPolarHBondContact O-CB 3.39Å; L388-K392 PolarHBondContact O-N 3.36Å; L388-F405 HydrophobicContact CD1-CZ 3.88Å; L388-F405 HydrophobicContact CG-CZ 4.35Å; L388-Y407 HydrophobicContact CD2-CD1 4.4Å; L388-Y407 HydrophobicContact CD2-CE1 4.48Å
389	G	69.5	Low	70.6	Confident	10 Å²	10	46.3 Å²	46.3	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-46	173.6	0	0	0	0	0	112.4	K385 D386 S387 K392 V393	K385-G389 PolarHBondContact O-N 3.23Å; K385-G389 VanDerWaalsContact O-N 3.14Å; D386-G389 PolarHBondContact O-N 2.78Å; S387-G389 VanDerWaalsContact C-N 3.27Å; S387-G389 PolarHBondContact O-N 2.63Å; G389-K392 PolarHBondContact O-N 2.84Å; G389-V393 WeakPolarHBondContact O-CG2 3.45Å; G389-V393 PolarHBondContact O-N 3.25Å; G389-V393 VanDerWaalsContact O-N 3.15Å
390	H	71.2	Confident	69.6	Low	51 Å²	51	50.5 Å²	50.5	24%	0.236	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-37	175.8	-68.9	-81.5	0	0	0	112.8	V353 D386 S387 K392 V393 T394	V353-H390 HydrophobicContact CG1-CB 3.65Å; D386-H390 PolarHBondContact O-CD2 3.02Å; D386-H390 PolarHBondContact O-N 2.99Å; S387-H390 PolarHBondContact O-N 3.44Å; S387-H390 VanDerWaalsContact O-N 3.12Å; H390-K392 VanDerWaalsContact C-N 3.35Å; H390-V393 PolarHBondContact O-N 3.07Å; H390-T394 WeakPolarHBondContact O-CB 3.03Å; H390-T394 PolarHBondContact O-N 3.47Å; H390-T394 PolarHBondContact O-OG1 3.06Å; H390-T394 VanDerWaalsContact O-OG1 3.05Å
391	V	74.5	Confident	68.1	Low	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-47.7	172.6	170.8	0	0	0	0	110.1	V353 I372 A375 L376 S379 S387 L388 V393 T394 H395 F405	V353-V391 HydrophobicContact CG2-CB 4.47Å; V353-V391 HydrophobicContact CG2-CG2 3.41Å; V353-V391 VanDerWaalsContact CG2-CG2 3.41Å; I372-V391 HydrophobicContact CD1-CB 4.37Å; I372-V391 HydrophobicContact CD1-CG1 3.95Å; I372-V391 HydrophobicContact CG1-CG1 4.35Å; A375-V391 HydrophobicContact CB-CG2 3.93Å; L376-V391 HydrophobicContact CB-CG1 3.99Å; L376-V391 HydrophobicContact CD1-CG1 4.02Å; S379-V391 WeakPolarHBondContact OG-CG2 3.43Å; S387-V391 WeakPolarHBondContact O-CG2 3.28Å; S387-V391 PolarHBondContact O-N 2.69Å; L388-V391 PolarHBondContact O-N 2.91Å; V391-V393 VanDerWaalsContact C-N 3.31Å; V391-V393 PolarHBondContact O-N 3Å; V391-T394 PolarHBondContact O-N 3.19Å; V391-H395 WeakPolarHBondContact O-CB 3.36Å; V391-H395 PolarHBondContact O-N 3.02Å; V391-F405 HydrophobicContact CG1-CE2 4.4Å
392	K	73	Confident	66.5	Low	83 Å²	83	45.3 Å²	45.3	36%	0.361	25%	0.246	S	C	.	.	H	α-helix	trans	-57.2	-45.6	178.4	-179.8	-178	-179.3	-170.5	0	111.4	L388 G389 H390 T396 F405 E426	L388-K392 WeakPolarHBondContact O-CB 3.39Å; L388-K392 PolarHBondContact O-N 3.36Å; G389-K392 PolarHBondContact O-N 2.84Å; H390-K392 VanDerWaalsContact C-N 3.35Å; K392-T396 WeakPolarHBondContact O-CB 3.49Å; K392-T396 PolarHBondContact O-N 3.03Å; K392-T396 PolarHBondContact O-OG1 3.3Å; K392-F405 HydrophobicContact CB-CD1 4.09Å; K392-F405 HydrophobicContact CB-CE1 4.25Å; K392-F405 HydrophobicContact CB-CG 4.29Å; K392-F405 HydrophobicContact CD-CD1 4.05Å; K392-F405 HydrophobicContact CG-CB 4.1Å; K392-F405 HydrophobicContact CG-CD1 3.75Å; K392-F405 HydrophobicContact CG-CE1 4.36Å; K392-F405 HydrophobicContact CG-CG 3.94Å; K392-E426 IonicContact NZ-OE1 3.97Å
393	V	69.2	Low	64.9	Low	14 Å²	14	49.2 Å²	49.2	9%	0.085	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-52.9	178.3	168.3	0	0	0	0	111.4	G389 H390 V391 H395 T396 L397 V422 T425 E426	G389-V393 WeakPolarHBondContact O-CG2 3.45Å; G389-V393 PolarHBondContact O-N 3.25Å; G389-V393 VanDerWaalsContact O-N 3.15Å; H390-V393 PolarHBondContact O-N 3.07Å; V391-V393 VanDerWaalsContact C-N 3.31Å; V391-V393 PolarHBondContact O-N 3Å; V393-H395 VanDerWaalsContact C-N 3.31Å; V393-H395 PolarHBondContact O-N 3.45Å; V393-T396 WeakPolarHBondContact O-CB 3.34Å; V393-T396 PolarHBondContact O-N 3.16Å; V393-T396 VanDerWaalsContact O-N 3.13Å; V393-L397 HydrophobicContact CG1-CD1 4.28Å; V393-L397 WeakPolarHBondContact O-CG 3.27Å; V393-L397 PolarHBondContact O-N 3.43Å; V393-V422 HydrophobicContact CG2-CB 4.32Å; V393-V422 HydrophobicContact CG2-CG1 3.82Å; V393-V422 HydrophobicContact CG2-CG2 4.22Å; V393-T425 HydrophobicContact CG1-CG2 3.28Å; V393-E426 HydrophobicContact CG2-CG 4.43Å
394	T	68.9	Low	63.8	Low	11 Å²	11	44.6 Å²	44.6	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-36.6	-178.8	-55.6	0	0	0	0	111.6	A356 I372 H390 V391 L397 L398	A356-T394 HydrophobicContact CB-CG2 3.89Å; I372-T394 HydrophobicContact CD1-CG2 3.84Å; H390-T394 WeakPolarHBondContact O-CB 3.03Å; H390-T394 PolarHBondContact O-N 3.47Å; H390-T394 PolarHBondContact O-OG1 3.06Å; H390-T394 VanDerWaalsContact O-OG1 3.05Å; V391-T394 PolarHBondContact O-N 3.19Å; T394-L397 PolarHBondContact O-N 2.73Å; T394-L398 HydrophobicContact CG2-CD1 3.86Å; T394-L398 HydrophobicContact CG2-CG 4.44Å; T394-L398 WeakPolarHBondContact O-CB 3.13Å; T394-L398 VanDerWaalsContact O-CG 3.31Å; T394-L398 WeakPolarHBondContact O-CG 3.2Å; T394-L398 PolarHBondContact O-N 3.17Å
395	H	71.8	Confident	62.9	Low	40 Å²	40	45.8 Å²	45.8	19%	0.185	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-47.2	171.7	-177.3	-81	0	0	0	111.1	I372 V391 V393 L397 L398 N399 F405	I372-H395 HydrophobicContact CG1-CB 4Å; V391-H395 WeakPolarHBondContact O-CB 3.36Å; V391-H395 PolarHBondContact O-N 3.02Å; V393-H395 VanDerWaalsContact C-N 3.31Å; V393-H395 PolarHBondContact O-N 3.45Å; H395-L397 VanDerWaalsContact C-N 3.27Å; H395-L397 PolarHBondContact O-N 2.82Å; H395-L398 PolarHBondContact O-N 3.34Å; H395-N399 PolarHBondContact CD2-ND2 3.16Å; H395-N399 VanDerWaalsContact CD2-ND2 3.26Å; H395-N399 PolarHBondContact CE1-ND2 3.29Å; H395-N399 VanDerWaalsContact CE1-ND2 3.26Å; H395-N399 PolarHBondContact NE2-ND2 2.91Å; H395-N399 VanDerWaalsContact O-CB 3.26Å; H395-N399 WeakPolarHBondContact O-CB 3.49Å; H395-N399 PolarHBondContact O-N 3.26Å; H395-F405 HydrophobicContact CB-CD2 4.49Å
396	T	68.2	Low	61.6	Low	50 Å²	50	48.3 Å²	48.3	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-37.9	178.2	-54.4	0	0	0	0	111.5	K392 V393 S400 T429	K392-T396 WeakPolarHBondContact O-CB 3.49Å; K392-T396 PolarHBondContact O-N 3.03Å; K392-T396 PolarHBondContact O-OG1 3.3Å; V393-T396 WeakPolarHBondContact O-CB 3.34Å; V393-T396 PolarHBondContact O-N 3.16Å; V393-T396 VanDerWaalsContact O-N 3.13Å; T396-S400 PolarHBondContact O-N 3.45Å; T396-T429 HydrophobicContact CG2-CG2 3.94Å
397	L	66.4	Low	60.5	Low	65 Å²	65	49.9 Å²	49.9	34%	0.34	26%	0.262	S	S	.	.	H	α-helix	trans	-70.9	-38.3	176.3	-68.1	173.9	0	0	0	113.2	L360 V393 T394 H395 T425 T429	L360-L397 HydrophobicContact CD2-CB 3.86Å; L360-L397 HydrophobicContact CD2-CD1 3.9Å; V393-L397 HydrophobicContact CG1-CD1 4.28Å; V393-L397 WeakPolarHBondContact O-CG 3.27Å; V393-L397 PolarHBondContact O-N 3.43Å; T394-L397 PolarHBondContact O-N 2.73Å; H395-L397 VanDerWaalsContact C-N 3.27Å; H395-L397 PolarHBondContact O-N 2.82Å; L397-T425 HydrophobicContact CD1-CG2 3.96Å; L397-T425 HydrophobicContact CD2-CG2 4.13Å; L397-T425 HydrophobicContact CG-CG2 4.19Å; L397-T429 HydrophobicContact CD2-CG2 3.93Å
398	L	64.6	Low	59.1	Low	6 Å²	6	57.5 Å²	57.5	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-78.4	-27.6	-179.7	-75	167.8	0	0	0	113.4	L360 W365 G368 K369 I372 T394 H395	L360-L398 HydrophobicContact CB-CD2 4.3Å; L360-L398 HydrophobicContact CD1-CD2 3.86Å; L360-L398 HydrophobicContact CD1-CG 4.47Å; W365-L398 HydrophobicContact CE3-CD2 3.9Å; W365-L398 HydrophobicContact CZ3-CD2 4.3Å; G368-L398 WeakPolarHBondContact O-CD1 3.37Å; K369-L398 WeakPolarHBondContact CE-O 3.46Å; K369-L398 HydrophobicContact CG-CB 4.33Å; I372-L398 HydrophobicContact CB-CD1 3.92Å; I372-L398 HydrophobicContact CG1-CD1 4.35Å; I372-L398 HydrophobicContact CG2-CD1 4.04Å; T394-L398 HydrophobicContact CG2-CD1 3.86Å; T394-L398 HydrophobicContact CG2-CG 4.44Å; T394-L398 WeakPolarHBondContact O-CB 3.13Å; T394-L398 VanDerWaalsContact O-CG 3.31Å; T394-L398 WeakPolarHBondContact O-CG 3.2Å; T394-L398 PolarHBondContact O-N 3.17Å; H395-L398 PolarHBondContact O-N 3.34Å
399	N	63.4	Low	57.3	Low	24 Å²	24	61.2 Å²	61.2	13%	0.128	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	37.9	-174.5	-69.1	-31	0	0	0	111.1	K369 H395 S401 A402	K369-N399 WeakPolarHBondContact CE-OD1 3.31Å; K369-N399 PolarHBondContact NZ-OD1 2.64Å; H395-N399 PolarHBondContact CD2-ND2 3.16Å; H395-N399 VanDerWaalsContact CD2-ND2 3.26Å; H395-N399 PolarHBondContact CE1-ND2 3.29Å; H395-N399 VanDerWaalsContact CE1-ND2 3.26Å; H395-N399 PolarHBondContact NE2-ND2 2.91Å; H395-N399 VanDerWaalsContact O-CB 3.26Å; H395-N399 WeakPolarHBondContact O-CB 3.49Å; H395-N399 PolarHBondContact O-N 3.26Å; N399-S401 PolarHBondContact O-N 3.26Å; N399-A402 HydrophobicContact CB-CB 4.13Å; N399-A402 PolarHBondContact O-N 3.49Å
400	S	55.9	Low	55.9	Low	92 Å²	92	69.9 Å²	69.9	64%	0.643	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-16.6	-179.7	52.1	0	0	0	0	114.6	T396	T396-S400 PolarHBondContact O-N 3.45Å
401	S	47.9	Very low	54.2	Low	28 Å²	28	70.3 Å²	70.3	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	8.4	174.7	58.1	0	0	0	0	115.8	N399 D615 L618	N399-S401 PolarHBondContact O-N 3.26Å; S401-D615 WeakPolarHBondContact CB-OD1 3.29Å; S401-D615 PolarHBondContact OG-OD1 3.06Å; S401-D615 VanDerWaalsContact OG-OD1 3.1Å; S401-L618 WeakPolarHBondContact O-CD1 3.37Å
402	A	46.3	Very low	52.4	Low	41 Å²	41	75.8 Å²	75.8	34%	0.339	40%	0.402	S	S	.	.	S	Bend	trans	-126.6	169.8	-178.6	0	0	0	0	0	112.6	N399	N399-A402 HydrophobicContact CB-CB 4.13Å; N399-A402 PolarHBondContact O-N 3.49Å
403	D	38	Very low	50.8	Low	103 Å²	103	74.5 Å²	74.5	55%	0.551	40%	0.398	S	S	*	.			trans	-36.4	132.9	-167.1	-72.3	-48.3	0	0	0	114.5	F405	D403-F405 PolarHBondContact O-N 2.94Å
404	P	46.6	Very low	49.4	Very low	80 Å²	80	81.2 Å²	81.2	52%	0.519	43%	0.426	S	S	.	.			trans	-54.5	141.3	174.2	23.1	-31.2	0	0	0	108.5	R406	P404-R406 VanDerWaalsContact C-N 3.35Å; P404-R406 WeakPolarHBondContact O-CG 3.37Å; P404-R406 PolarHBondContact O-N 3.29Å
405	F	45.9	Very low	48.2	Very low	41 Å²	41	89.5 Å²	89.5	18%	0.18	46%	0.464	C	S	.	.			trans	-55.4	100.2	175.8	-177.7	-95.3	0	0	0	109.3	L376 L388 V391 K392 H395 D403	L376-F405 HydrophobicContact CD1-CE2 3.86Å; L376-F405 HydrophobicContact CD1-CZ 4.01Å; L388-F405 HydrophobicContact CD1-CZ 3.88Å; L388-F405 HydrophobicContact CG-CZ 4.35Å; V391-F405 HydrophobicContact CG1-CE2 4.4Å; K392-F405 HydrophobicContact CB-CD1 4.09Å; K392-F405 HydrophobicContact CB-CE1 4.25Å; K392-F405 HydrophobicContact CB-CG 4.29Å; K392-F405 HydrophobicContact CD-CD1 4.05Å; K392-F405 HydrophobicContact CG-CB 4.1Å; K392-F405 HydrophobicContact CG-CD1 3.75Å; K392-F405 HydrophobicContact CG-CE1 4.36Å; K392-F405 HydrophobicContact CG-CG 3.94Å; H395-F405 HydrophobicContact CB-CD2 4.49Å; D403-F405 PolarHBondContact O-N 2.94Å
406	R	42.1	Very low	46.5	Very low	178 Å²	178	91.9 Å²	91.9	67%	0.672	49%	0.485	S	S	*	.			trans	-97.1	109.7	176	-73.6	-175.6	-176.4	-170.9	2	107.3	P404	P404-R406 VanDerWaalsContact C-N 3.35Å; P404-R406 WeakPolarHBondContact O-CG 3.37Å; P404-R406 PolarHBondContact O-N 3.29Å
407	Y	42.3	Very low	45.3	Very low	100 Å²	100	96.4 Å²	96.4	39%	0.392	50%	0.501	S	S	.	.			trans	-114.9	122	162.6	-168.2	-108.1	0	0	0	105.8	L380 L388 N409	L380-Y407 HydrophobicContact CD1-CE2 4.46Å; L380-Y407 HydrophobicContact CD2-CD2 4.21Å; L380-Y407 HydrophobicContact CD2-CE2 3.28Å; L380-Y407 WeakPolarHBondContact CD2-OH 3.43Å; L380-Y407 HydrophobicContact CG-CE2 4.5Å; L388-Y407 HydrophobicContact CD2-CD1 4.4Å; L388-Y407 HydrophobicContact CD2-CE1 4.48Å; Y407-N409 HydrophobicContact CD1-CB 4.34Å; Y407-N409 HydrophobicContact CE1-CB 4.37Å; Y407-N409 CarbonylContact O-C 3.58Å; Y407-N409 PolarHBondContact O-N 2.98Å
408	D	42.2	Very low	44.8	Very low	161 Å²	161	96.1 Å²	96.1	86%	0.861	50%	0.497	S	S	*	.	S	Bend	trans	-63.4	-3	-166	-74.4	-33	0	0	0	115
409	N	36.4	Very low	44.7	Very low	108 Å²	108	98 Å²	98	58%	0.578	51%	0.511	S	S	*	.	S	Bend	trans	-112.6	108.7	165.5	-66.2	-41.9	0	0	0	108.1	Y407 V411	Y407-N409 HydrophobicContact CD1-CB 4.34Å; Y407-N409 HydrophobicContact CE1-CB 4.37Å; Y407-N409 CarbonylContact O-C 3.58Å; Y407-N409 PolarHBondContact O-N 2.98Å; N409-V411 HydrophobicContact CB-CG2 3.98Å; N409-V411 PolarHBondContact O-N 3.22Å
410	E	38.2	Very low	44.9	Very low	192 Å²	192	100.9 Å²	100.9	90%	0.897	53%	0.526	S	S	*	.			trans	-59.9	75	156.5	-69.9	-171.8	166.3	0	0	107.8	P412	E410-P412 WeakPolarHBondContact O-CD 3.27Å
411	V	37.5	Very low	45.5	Very low	59 Å²	59	99.6 Å²	99.6	36%	0.358	51%	0.512	S	S	.	.			trans	-64.8	113.4	172	-178.7	0	0	0	0	104.2	K385 N409 M413	K385-V411 HydrophobicContact CD-CG1 4.22Å; N409-V411 HydrophobicContact CB-CG2 3.98Å; N409-V411 PolarHBondContact O-N 3.22Å; V411-M413 VanDerWaalsContact C-N 3.26Å; V411-M413 PolarHBondContact O-N 3.34Å
412	P	34.9	Very low	46.4	Very low	115 Å²	115	98.5 Å²	98.5	75%	0.747	50%	0.504	S	S	*	.			trans	-64.5	100.6	172.1	-3.2	18.5	0	0	0	104.4	E410 K414	E410-P412 WeakPolarHBondContact O-CD 3.27Å; P412-K414 VanDerWaalsContact C-N 3.33Å; P412-K414 PolarHBondContact O-N 3.36Å
413	M	40.8	Very low	47.6	Very low	56 Å²	56	98 Å²	98	28%	0.276	50%	0.497	S	S	.	.			trans	-61.7	107.6	165.1	-85.9	-156.6	153.7	0	0	105	K385 V411 Q415 K418	K385-M413 HydrophobicContact CB-CE 4.1Å; K385-M413 WeakPolarHBondContact O-CE 3.4Å; V411-M413 VanDerWaalsContact C-N 3.26Å; V411-M413 PolarHBondContact O-N 3.34Å; M413-Q415 PolarHBondContact O-N 3.37Å; M413-Q415 VanDerWaalsContact O-N 3.12Å; M413-K418 HydrophobicContact SD-CG 4.16Å
414	K	38.7	Very low	49.4	Very low	155 Å²	155	93.5 Å²	93.5	67%	0.674	47%	0.473	S	S	*	.			trans	-46.7	125.8	166.7	-76.4	-177.3	174.6	-179.8	0	106.1	P412 S416 F417	P412-K414 VanDerWaalsContact C-N 3.33Å; P412-K414 PolarHBondContact O-N 3.36Å; K414-S416 PolarHBondContact O-N 3.13Å; K414-F417 PolarHBondContact O-N 2.77Å; K414-F417 VanDerWaalsContact O-N 3.11Å
415	Q	43.3	Very low	50.6	Low	185 Å²	185	91.3 Å²	91.3	86%	0.864	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-48.1	-24.6	-179.1	-86.3	167.1	-34	0	0	112.7	M413 F417	M413-Q415 PolarHBondContact O-N 3.37Å; M413-Q415 VanDerWaalsContact O-N 3.12Å; Q415-F417 VanDerWaalsContact C-N 3.27Å; Q415-F417 PolarHBondContact O-N 2.67Å
416	S	37.8	Very low	51.8	Low	91 Å²	91	90.9 Å²	90.9	64%	0.636	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-64.7	-13.9	-179.8	62.4	0	0	0	0	116.6	K414	K414-S416 PolarHBondContact O-N 3.13Å
417	F	41.9	Very low	53.7	Low	145 Å²	145	83 Å²	83	64%	0.636	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-116.8	2.6	-174.6	-75.6	-78.6	0	0	0	115.5	K414 Q415 S419	K414-F417 PolarHBondContact O-N 2.77Å; K414-F417 VanDerWaalsContact O-N 3.11Å; Q415-F417 VanDerWaalsContact C-N 3.27Å; Q415-F417 PolarHBondContact O-N 2.67Å; F417-S419 PolarHBondContact O-N 2.93Å
418	K	55.5	Low	55.4	Low	59 Å²	59	82.3 Å²	82.3	26%	0.257	42%	0.424	S	S	.	.			trans	-79.3	121.9	177.6	-66.8	-169.3	173.6	-170.1	0	110	M413 T423 E426	M413-K418 HydrophobicContact SD-CG 4.16Å; K418-T423 HydrophobicContact CB-CG2 3.46Å; K418-T423 VanDerWaalsContact CB-CG2 3.46Å; K418-T423 HydrophobicContact CD-CG2 3.95Å; K418-T423 HydrophobicContact CG-CG2 4.37Å; K418-E426 IonicContact NZ-OE1 3.18Å; K418-E426 PolarHBondContact NZ-OE1 3.4Å; K418-E426 IonicContact NZ-OE2 3.67Å; K418-E426 PolarHBondContact NZ-OE2 2.98Å
419	S	63.2	Low	57	Low	46 Å²	46	76.3 Å²	76.3	32%	0.322	39%	0.393	S	S	.	.			trans	-59.1	141.7	168.8	65.8	0	0	0	0	109.7	F417 D421 V422 T423	F417-S419 PolarHBondContact O-N 2.93Å; S419-D421 PolarHBondContact O-N 3.36Å; S419-D421 VanDerWaalsContact O-N 3.12Å; S419-V422 WeakPolarHBondContact O-CB 3.48Å; S419-V422 PolarHBondContact O-N 2.91Å; S419-V422 WeakPolarHBondContact OG-CB 3.39Å; S419-V422 WeakPolarHBondContact OG-CG2 3.08Å; S419-V422 PolarHBondContact OG-N 2.82Å; S419-T423 PolarHBondContact O-N 3Å
420	N	68	Low	58.9	Low	83 Å²	83	77.5 Å²	77.5	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-27.6	-178	-67.1	-21.2	0	0	0	112.5	T423 L424 Y459	N420-T423 WeakPolarHBondContact CA-OG1 3.49Å; N420-T423 PolarHBondContact O-OG1 2.73Å; N420-L424 VanDerWaalsContact O-CB 3.31Å; N420-L424 WeakPolarHBondContact O-CB 3.23Å; N420-L424 PolarHBondContact O-N 3.04Å; N420-Y459 HydrophobicContact CB-CE2 3.62Å
421	D	67.6	Low	61	Low	65 Å²	65	68.4 Å²	68.4	35%	0.348	35%	0.35	S	S	.	.	H	α-helix	trans	-70.6	-36.9	175.7	-63.6	-41.6	0	0	0	111.9	S419 T425 Y459 R497	S419-D421 PolarHBondContact O-N 3.36Å; S419-D421 VanDerWaalsContact O-N 3.12Å; D421-T425 WeakPolarHBondContact O-CB 3.43Å; D421-T425 PolarHBondContact O-N 3.11Å; D421-T425 PolarHBondContact O-OG1 2.86Å; D421-Y459 WeakPolarHBondContact OD1-CE1 3.39Å; D421-Y459 VanDerWaalsContact OD1-CZ 3.31Å; D421-Y459 PolarHBondContact OD1-OH 3.48Å; D421-R497 IonicContact OD2-NH1 3.85Å
422	V	67.8	Low	63	Low	6 Å²	6	68.5 Å²	68.5	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-68.7	-44.2	174.4	166.9	0	0	0	0	110.3	V393 S419 L424 T425 E426	V393-V422 HydrophobicContact CG2-CB 4.32Å; V393-V422 HydrophobicContact CG2-CG1 3.82Å; V393-V422 HydrophobicContact CG2-CG2 4.22Å; S419-V422 WeakPolarHBondContact O-CB 3.48Å; S419-V422 PolarHBondContact O-N 2.91Å; S419-V422 WeakPolarHBondContact OG-CB 3.39Å; S419-V422 WeakPolarHBondContact OG-CG2 3.08Å; S419-V422 PolarHBondContact OG-N 2.82Å; V422-L424 VanDerWaalsContact C-N 3.33Å; V422-L424 PolarHBondContact O-N 3.15Å; V422-T425 PolarHBondContact O-N 2.82Å; V422-E426 HydrophobicContact CG1-CG 4.48Å; V422-E426 WeakPolarHBondContact O-CB 3.38Å; V422-E426 WeakPolarHBondContact O-CG 3.4Å; V422-E426 PolarHBondContact O-N 3.5Å
423	T	71.8	Confident	65	Low	31 Å²	31	66 Å²	66	19%	0.19	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-39.3	176.6	58.2	0	0	0	0	111.7	K418 S419 N420 F427 N453	K418-T423 HydrophobicContact CB-CG2 3.46Å; K418-T423 VanDerWaalsContact CB-CG2 3.46Å; K418-T423 HydrophobicContact CD-CG2 3.95Å; K418-T423 HydrophobicContact CG-CG2 4.37Å; S419-T423 PolarHBondContact O-N 3Å; N420-T423 WeakPolarHBondContact CA-OG1 3.49Å; N420-T423 PolarHBondContact O-OG1 2.73Å; T423-F427 WeakPolarHBondContact O-CB 3.4Å; T423-F427 PolarHBondContact O-N 3.4Å; T423-N453 PolarHBondContact O-ND2 2.84Å; T423-N453 VanDerWaalsContact O-ND2 3.08Å; T423-N453 PolarHBondContact OG1-OD1 2.91Å
424	L	75.3	Confident	67	Low	8 Å²	8	64.3 Å²	64.3	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-47.3	174.5	-178.9	70.6	0	0	0	110.9	N420 V422 F427 R428 N453 Y459	N420-L424 VanDerWaalsContact O-CB 3.31Å; N420-L424 WeakPolarHBondContact O-CB 3.23Å; N420-L424 PolarHBondContact O-N 3.04Å; V422-L424 VanDerWaalsContact C-N 3.33Å; V422-L424 PolarHBondContact O-N 3.15Å; L424-F427 HydrophobicContact CD1-CD1 4.43Å; L424-F427 WeakPolarHBondContact O-CB 3.41Å; L424-F427 PolarHBondContact O-N 2.9Å; L424-R428 HydrophobicContact CD1-CG 4.28Å; L424-R428 HydrophobicContact CG-CG 4.32Å; L424-R428 WeakPolarHBondContact O-CG 3.45Å; L424-R428 PolarHBondContact O-N 2.79Å; L424-N453 VanDerWaalsContact CA-ND2 3.32Å; L424-N453 WeakPolarHBondContact CA-ND2 3.3Å; L424-N453 HydrophobicContact CD1-CB 4.22Å; L424-N453 PolarHBondContact N-ND2 3.29Å; L424-Y459 HydrophobicContact CD1-CG 4.27Å; L424-Y459 HydrophobicContact CD2-CD1 3.38Å; L424-Y459 HydrophobicContact CD2-CE1 3.79Å; L424-Y459 HydrophobicContact CD2-CG 3.93Å; L424-Y459 HydrophobicContact CG-CD1 4.41Å
425	T	72.3	Confident	69.1	Low	34 Å²	34	57 Å²	57	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-38	-177	-47.7	0	0	0	0	111.7	V393 L397 D421 V422 F427 R428 T429	V393-T425 HydrophobicContact CG1-CG2 3.28Å; L397-T425 HydrophobicContact CD1-CG2 3.96Å; L397-T425 HydrophobicContact CD2-CG2 4.13Å; L397-T425 HydrophobicContact CG-CG2 4.19Å; D421-T425 WeakPolarHBondContact O-CB 3.43Å; D421-T425 PolarHBondContact O-N 3.11Å; D421-T425 PolarHBondContact O-OG1 2.86Å; V422-T425 PolarHBondContact O-N 2.82Å; T425-F427 VanDerWaalsContact C-N 3.32Å; T425-F427 PolarHBondContact O-N 2.73Å; T425-R428 PolarHBondContact O-N 3.42Å; T425-T429 HydrophobicContact CG2-CG2 4.28Å; T425-T429 WeakPolarHBondContact O-CB 3.42Å; T425-T429 VanDerWaalsContact O-CG2 3.31Å; T425-T429 WeakPolarHBondContact O-CG2 3.49Å; T425-T429 PolarHBondContact O-N 2.74Å; T425-T429 PolarHBondContact O-OG1 3.06Å
426	E	71.2	Confident	70.8	Confident	31 Å²	31	49.8 Å²	49.8	15%	0.145	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-41.5	170.3	-76.3	-172.2	155.9	0	0	111.7	K392 V393 K418 V422 T429 K430	K392-E426 IonicContact NZ-OE1 3.97Å; V393-E426 HydrophobicContact CG2-CG 4.43Å; K418-E426 IonicContact NZ-OE1 3.18Å; K418-E426 PolarHBondContact NZ-OE1 3.4Å; K418-E426 IonicContact NZ-OE2 3.67Å; K418-E426 PolarHBondContact NZ-OE2 2.98Å; V422-E426 HydrophobicContact CG1-CG 4.48Å; V422-E426 WeakPolarHBondContact O-CB 3.38Å; V422-E426 WeakPolarHBondContact O-CG 3.4Å; V422-E426 PolarHBondContact O-N 3.5Å; E426-T429 WeakPolarHBondContact CA-OG1 3.45Å; E426-T429 PolarHBondContact O-OG1 3.27Å; E426-T429 VanDerWaalsContact O-OG1 3.06Å; E426-K430 WeakPolarHBondContact O-CB 3.32Å; E426-K430 VanDerWaalsContact O-CG 3.23Å; E426-K430 WeakPolarHBondContact O-CG 3.5Å; E426-K430 PolarHBondContact O-N 3.24Å; E426-K430 VanDerWaalsContact O-N 3.1Å
427	F	80.6	Confident	72.7	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-52.1	175.1	163.2	-102.1	0	0	0	111.5	T423 L424 T425 T429 K430 F431 V447 Y448 S451	T423-F427 WeakPolarHBondContact O-CB 3.4Å; T423-F427 PolarHBondContact O-N 3.4Å; L424-F427 HydrophobicContact CD1-CD1 4.43Å; L424-F427 WeakPolarHBondContact O-CB 3.41Å; L424-F427 PolarHBondContact O-N 2.9Å; T425-F427 VanDerWaalsContact C-N 3.32Å; T425-F427 PolarHBondContact O-N 2.73Å; F427-T429 PolarHBondContact O-N 2.92Å; F427-K430 PolarHBondContact O-N 3.14Å; F427-F431 HydrophobicContact CZ-CB 4.44Å; F427-F431 HydrophobicContact CZ-CD2 4.27Å; F427-F431 WeakPolarHBondContact O-CB 3.36Å; F427-F431 PolarHBondContact O-N 3.24Å; F427-V447 HydrophobicContact CD2-CG1 4.15Å; F427-V447 HydrophobicContact CE2-CG1 3.92Å; F427-V447 WeakPolarHBondContact CE2-O 3.46Å; F427-Y448 AromaticContact CZ-CD2 3.9Å; F427-Y448 HydrophobicContact CZ-CD2 3.9Å; F427-S451 WeakPolarHBondContact CD2-OG 3.28Å
428	R	78.3	Confident	74.6	Confident	85 Å²	85	43.6 Å²	43.6	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-44.2	-177.5	-65.9	-175.2	78.1	-156	0.4	111.4	L424 T425 K430 F431 W432 D466	L424-R428 HydrophobicContact CD1-CG 4.28Å; L424-R428 HydrophobicContact CG-CG 4.32Å; L424-R428 WeakPolarHBondContact O-CG 3.45Å; L424-R428 PolarHBondContact O-N 2.79Å; T425-R428 PolarHBondContact O-N 3.42Å; R428-K430 PolarHBondContact O-N 2.91Å; R428-F431 PolarHBondContact O-N 3.41Å; R428-W432 WeakPolarHBondContact O-CB 3.24Å; R428-W432 PolarHBondContact O-N 3.08Å; R428-D466 WeakPolarHBondContact CD-OD2 3.38Å; R428-D466 WeakPolarHBondContact CG-OD2 3.35Å; R428-D466 IonicContact CZ-OD1 2.63Å; R428-D466 IonicContact CZ-OD2 3.38Å; R428-D466 IonicContact NE-OD1 3.19Å; R428-D466 PolarHBondContact NE-OD1 2.94Å; R428-D466 IonicContact NE-OD2 3.36Å; R428-D466 PolarHBondContact NE-OD2 3.3Å; R428-D466 IonicContact NH2-OD1 2.68Å; R428-D466 PolarHBondContact NH2-OD1 2.95Å; R428-D466 IonicContact NH2-OD2 2.79Å
429	T	75.3	Confident	76	Confident	36 Å²	36	42 Å²	42	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-41.3	176.2	49.6	0	0	0	0	112	T396 L397 T425 E426 F427 S433	T396-T429 HydrophobicContact CG2-CG2 3.94Å; L397-T429 HydrophobicContact CD2-CG2 3.93Å; T425-T429 HydrophobicContact CG2-CG2 4.28Å; T425-T429 WeakPolarHBondContact O-CB 3.42Å; T425-T429 VanDerWaalsContact O-CG2 3.31Å; T425-T429 WeakPolarHBondContact O-CG2 3.49Å; T425-T429 PolarHBondContact O-N 2.74Å; T425-T429 PolarHBondContact O-OG1 3.06Å; E426-T429 WeakPolarHBondContact CA-OG1 3.45Å; E426-T429 PolarHBondContact O-OG1 3.27Å; E426-T429 VanDerWaalsContact O-OG1 3.06Å; F427-T429 PolarHBondContact O-N 2.92Å; T429-S433 WeakPolarHBondContact O-CB 3.35Å; T429-S433 PolarHBondContact O-N 3.41Å; T429-S433 PolarHBondContact O-OG 2.91Å
430	K	76.8	Confident	77	Confident	133 Å²	133	42.5 Å²	42.5	58%	0.578	23%	0.225	S	C	*	.	H	α-helix	trans	-63.9	-42.8	172.4	-75.6	177.3	-178.8	-177.5	0	112.7	E426 F427 R428 S433 A434	E426-K430 WeakPolarHBondContact O-CB 3.32Å; E426-K430 VanDerWaalsContact O-CG 3.23Å; E426-K430 WeakPolarHBondContact O-CG 3.5Å; E426-K430 PolarHBondContact O-N 3.24Å; E426-K430 VanDerWaalsContact O-N 3.1Å; F427-K430 PolarHBondContact O-N 3.14Å; R428-K430 PolarHBondContact O-N 2.91Å; K430-S433 WeakPolarHBondContact CA-OG 3.44Å; K430-S433 PolarHBondContact O-OG 3.3Å; K430-S433 VanDerWaalsContact O-OG 3.06Å; K430-A434 VanDerWaalsContact O-CB 3.25Å; K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 2.96Å
431	F	81.9	Confident	77.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-50.5	179.1	-177.1	-92.3	0	0	0	111.4	F427 R428 A434 L435 L444 D466 M470	F427-F431 HydrophobicContact CZ-CB 4.44Å; F427-F431 HydrophobicContact CZ-CD2 4.27Å; F427-F431 WeakPolarHBondContact O-CB 3.36Å; F427-F431 PolarHBondContact O-N 3.24Å; R428-F431 PolarHBondContact O-N 3.41Å; F431-A434 PolarHBondContact O-N 2.89Å; F431-L435 PolarHBondContact O-N 2.89Å; F431-L444 HydrophobicContact CD2-CB 4.46Å; F431-L444 HydrophobicContact CD2-CD2 4.13Å; F431-L444 HydrophobicContact CE2-CB 3.88Å; F431-L444 HydrophobicContact CE2-CD2 4.21Å; F431-L444 HydrophobicContact CZ-CB 4.45Å; F431-L444 WeakPolarHBondContact O-CD2 3.44Å; F431-D466 HydrophobicContact CD1-CB 4.31Å; F431-D466 HydrophobicContact CE1-CB 4.06Å; F431-M470 HydrophobicContact CE1-CB 4.28Å; F431-M470 HydrophobicContact CE2-SD 4.3Å; F431-M470 HydrophobicContact CZ-CB 3.93Å; F431-M470 HydrophobicContact CZ-CG 4.12Å; F431-M470 HydrophobicContact CZ-SD 3.85Å
432	W	80.4	Confident	78.8	Confident	62 Å²	62	43.2 Å²	43.2	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-70.4	-36.8	-179.7	-72.6	108.9	0	0	0	112.9	R428 L435 D436 D466 T469	R428-W432 WeakPolarHBondContact O-CB 3.24Å; R428-W432 PolarHBondContact O-N 3.08Å; W432-L435 HydrophobicContact CE3-CD2 3.6Å; W432-L435 HydrophobicContact CH2-CD2 4.41Å; W432-L435 HydrophobicContact CZ3-CD2 3.4Å; W432-L435 VanDerWaalsContact CZ3-CD2 3.4Å; W432-L435 WeakPolarHBondContact O-CB 3.47Å; W432-L435 PolarHBondContact O-N 3.42Å; W432-D436 WeakPolarHBondContact O-CB 3.44Å; W432-D436 PolarHBondContact O-N 3.36Å; W432-D466 HydrophobicContact CZ2-CB 4.19Å; W432-D466 WeakPolarHBondContact CZ2-OD1 3.45Å; W432-D466 PolarHBondContact NE1-OD1 2.82Å; W432-D466 VanDerWaalsContact NE1-OD1 3.15Å; W432-T469 VanDerWaalsContact CH2-OG1 3.27Å; W432-T469 WeakPolarHBondContact CH2-OG1 3.26Å
433	S	77.8	Confident	79.7	Confident	63 Å²	63	47.8 Å²	47.8	44%	0.441	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-35.9	172.6	56.5	0	0	0	0	112.8	T429 K430 L435 D436 T437	T429-S433 WeakPolarHBondContact O-CB 3.35Å; T429-S433 PolarHBondContact O-N 3.41Å; T429-S433 PolarHBondContact O-OG 2.91Å; K430-S433 WeakPolarHBondContact CA-OG 3.44Å; K430-S433 PolarHBondContact O-OG 3.3Å; K430-S433 VanDerWaalsContact O-OG 3.06Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-D436 PolarHBondContact O-N 3.44Å; S433-T437 WeakPolarHBondContact O-CG2 3.27Å; S433-T437 PolarHBondContact O-N 3.29Å; S433-T437 VanDerWaalsContact O-N 3.09Å; S433-T437 PolarHBondContact O-OG1 3.21Å
434	A	81.6	Confident	80.3	Confident	20 Å²	20	46.3 Å²	46.3	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-36.4	171.7	0	0	0	0	0	111.6	K430 F431 T437 S439 L444	K430-A434 VanDerWaalsContact O-CB 3.25Å; K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 2.96Å; F431-A434 PolarHBondContact O-N 2.89Å; A434-T437 WeakPolarHBondContact CA-OG1 3.35Å; A434-T437 PolarHBondContact O-OG1 3.37Å; A434-S439 WeakPolarHBondContact O-CB 3.35Å; A434-S439 PolarHBondContact O-N 3.26Å; A434-S439 PolarHBondContact O-OG 3.47Å; A434-L444 HydrophobicContact CB-CD2 3.53Å
435	L	82.6	Confident	80.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-43.6	173.6	-170.6	69.5	0	0	0	111.8	F431 W432 S433 T437 G438 L444 M470 F473 Y474 C662	F431-L435 PolarHBondContact O-N 2.89Å; W432-L435 HydrophobicContact CE3-CD2 3.6Å; W432-L435 HydrophobicContact CH2-CD2 4.41Å; W432-L435 HydrophobicContact CZ3-CD2 3.4Å; W432-L435 VanDerWaalsContact CZ3-CD2 3.4Å; W432-L435 WeakPolarHBondContact O-CB 3.47Å; W432-L435 PolarHBondContact O-N 3.42Å; S433-L435 VanDerWaalsContact C-N 3.31Å; L435-T437 PolarHBondContact O-N 2.64Å; L435-G438 PolarHBondContact O-N 3.06Å; L435-L444 HydrophobicContact CB-CD1 4.33Å; L435-L444 HydrophobicContact CD1-CD1 3.57Å; L435-M470 HydrophobicContact CD1-CG 4.31Å; L435-F473 HydrophobicContact CD1-CD1 3.71Å; L435-F473 HydrophobicContact CD1-CE1 3.92Å; L435-F473 HydrophobicContact CD1-CG 4.39Å; L435-F473 HydrophobicContact CD2-CG 4.48Å; L435-F473 HydrophobicContact CG-CD1 4.35Å; L435-F473 HydrophobicContact CG-CE1 4.42Å; L435-Y474 HydrophobicContact CD1-CE2 3.74Å; L435-Y474 WeakPolarHBondContact CD1-OH 3.1Å; L435-C662 HydrophobicContact CD2-CB 4.35Å; L435-C662 HydrophobicContact CG-CB 4.2Å
436	D	78.6	Confident	81.6	Confident	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-26.3	177.8	-80	-12.8	0	0	0	113.1	W432 S433 G438 L661 C662 Y702	W432-D436 WeakPolarHBondContact O-CB 3.44Å; W432-D436 PolarHBondContact O-N 3.36Å; S433-D436 PolarHBondContact O-N 3.44Å; D436-G438 VanDerWaalsContact C-N 3.33Å; D436-L661 HydrophobicContact CB-CB 4.07Å; D436-L661 VanDerWaalsContact CG-N 3.35Å; D436-L661 PolarHBondContact OD1-N 2.88Å; D436-L661 PolarHBondContact OD2-N 3.48Å; D436-C662 VanDerWaalsContact OD1-CB 3.31Å; D436-C662 WeakPolarHBondContact OD1-CB 3.49Å; D436-C662 PolarHBondContact OD1-N 3.48Å; D436-C662 PolarHBondContact OD1-SG 2.98Å; D436-Y702 WeakPolarHBondContact O-CE1 3.36Å
437	T	79.1	Confident	82.1	Confident	101 Å²	101	50.8 Å²	50.8	62%	0.62	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.8	174.4	49.5	0	0	0	0	113.8	S433 A434 L435	S433-T437 WeakPolarHBondContact O-CG2 3.27Å; S433-T437 PolarHBondContact O-N 3.29Å; S433-T437 VanDerWaalsContact O-N 3.09Å; S433-T437 PolarHBondContact O-OG1 3.21Å; A434-T437 WeakPolarHBondContact CA-OG1 3.35Å; A434-T437 PolarHBondContact O-OG1 3.37Å; L435-T437 PolarHBondContact O-N 2.64Å
438	G	81.1	Confident	82.3	Confident	5 Å²	5	50.4 Å²	50.4	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	34.5	-178.9	0	0	0	0	0	113.4	L435 D436 R703	L435-G438 PolarHBondContact O-N 3.06Å; D436-G438 VanDerWaalsContact C-N 3.33Å; G438-R703 VanDerWaalsContact O-CD 3.27Å; G438-R703 WeakPolarHBondContact O-CD 3.21Å; G438-R703 PolarHBondContact O-NE 3.05Å
439	S	84.4	Confident	82.5	Confident	27 Å²	27	53.2 Å²	53.2	19%	0.189	27%	0.274	C	S	.	.			trans	-59.7	163.9	176.7	-68.2	0	0	0	0	112.6	A434 Y474	A434-S439 WeakPolarHBondContact O-CB 3.35Å; A434-S439 PolarHBondContact O-N 3.26Å; A434-S439 PolarHBondContact O-OG 3.47Å; S439-Y474 PolarHBondContact O-OH 3.34Å
440	E	85.5	Confident	82.7	Confident	56 Å²	56	57.4 Å²	57.4	26%	0.262	30%	0.295	S	S	.	.			trans	-77.6	145.7	176.5	-37	-137	172.3	0	0	110.5	Y442 K443 L444 R703	E440-Y442 HydrophobicContact CB-CD1 3.55Å; E440-Y442 HydrophobicContact CB-CE1 3.47Å; E440-Y442 VanDerWaalsContact CB-CE1 3.47Å; E440-Y442 HydrophobicContact CB-CG 4.33Å; E440-Y442 HydrophobicContact CG-CD1 4.2Å; E440-Y442 HydrophobicContact CG-CE1 3.57Å; E440-Y442 PolarHBondContact O-N 3Å; E440-Y442 VanDerWaalsContact O-N 3.17Å; E440-Y442 WeakPolarHBondContact OE2-CE1 3.1Å; E440-K443 HydrophobicContact CB-CG 4.31Å; E440-K443 HydrophobicContact CG-CD 4.29Å; E440-K443 HydrophobicContact CG-CG 4.43Å; E440-K443 WeakPolarHBondContact O-CB 3.05Å; E440-K443 PolarHBondContact O-N 3.27Å; E440-L444 PolarHBondContact O-N 3.46Å; E440-R703 VanDerWaalsContact CD-NH2 3.34Å; E440-R703 VanDerWaalsContact CG-CZ 3.42Å; E440-R703 IonicContact OE1-CZ 3.37Å; E440-R703 IonicContact OE1-NH1 2.73Å; E440-R703 PolarHBondContact OE1-NH1 2.89Å; E440-R703 IonicContact OE1-NH2 3.22Å; E440-R703 PolarHBondContact OE1-NH2 3.44Å; E440-R703 IonicContact OE2-NH1 2.73Å; E440-R703 PolarHBondContact OE2-NH1 3.44Å; E440-R703 VanDerWaalsContact OE2-NH1 3.07Å
441	P	85.4	Confident	82.7	Confident	36 Å²	36	51.8 Å²	51.8	23%	0.234	27%	0.273	C	S	.	.	H	α-helix	trans	-52.5	-39	176.5	-26.9	33	0	0	0	113.6	K443 L444 L445 Y474	P441-K443 VanDerWaalsContact C-N 3.3Å; P441-K443 PolarHBondContact O-N 3.44Å; P441-L444 PolarHBondContact O-N 3.05Å; P441-L445 WeakPolarHBondContact O-CG 3.39Å; P441-L445 PolarHBondContact O-N 3Å; P441-Y474 HydrophobicContact CB-CD2 4.45Å; P441-Y474 HydrophobicContact CB-CE2 4.27Å; P441-Y474 HydrophobicContact CG-CD1 4.1Å; P441-Y474 HydrophobicContact CG-CD2 3.93Å; P441-Y474 HydrophobicContact CG-CE1 4Å; P441-Y474 HydrophobicContact CG-CE2 3.83Å; P441-Y474 HydrophobicContact CG-CG 4.07Å
442	Y	86.7	Confident	82.2	Confident	127 Å²	127	57.6 Å²	57.6	50%	0.498	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-32.4	178.7	76.6	-103.6	0	0	0	112.9	E440 T446	E440-Y442 HydrophobicContact CB-CD1 3.55Å; E440-Y442 HydrophobicContact CB-CE1 3.47Å; E440-Y442 VanDerWaalsContact CB-CE1 3.47Å; E440-Y442 HydrophobicContact CB-CG 4.33Å; E440-Y442 HydrophobicContact CG-CD1 4.2Å; E440-Y442 HydrophobicContact CG-CE1 3.57Å; E440-Y442 PolarHBondContact O-N 3Å; E440-Y442 VanDerWaalsContact O-N 3.17Å; E440-Y442 WeakPolarHBondContact OE2-CE1 3.1Å; Y442-T446 WeakPolarHBondContact O-CB 3.3Å; Y442-T446 PolarHBondContact O-N 3.01Å; Y442-T446 PolarHBondContact O-OG1 3.19Å
443	K	86.4	Confident	81.6	Confident	101 Å²	101	55.1 Å²	55.1	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-70	-42	177.1	-66.2	-172.4	-179	178.6	0	110.1	E440 P441 T446 V447	E440-K443 HydrophobicContact CB-CG 4.31Å; E440-K443 HydrophobicContact CG-CD 4.29Å; E440-K443 HydrophobicContact CG-CG 4.43Å; E440-K443 WeakPolarHBondContact O-CB 3.05Å; E440-K443 PolarHBondContact O-N 3.27Å; P441-K443 VanDerWaalsContact C-N 3.3Å; P441-K443 PolarHBondContact O-N 3.44Å; K443-T446 WeakPolarHBondContact O-CB 3.41Å; K443-T446 PolarHBondContact O-N 3.22Å; K443-V447 WeakPolarHBondContact O-CG2 3.18Å; K443-V447 PolarHBondContact O-N 3.26Å
444	L	86	Confident	80.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-41.4	175.2	-68.6	172.5	0	0	0	111.7	F431 A434 L435 E440 P441 T446 V447 Y448 M470 Y474	F431-L444 HydrophobicContact CD2-CB 4.46Å; F431-L444 HydrophobicContact CD2-CD2 4.13Å; F431-L444 HydrophobicContact CE2-CB 3.88Å; F431-L444 HydrophobicContact CE2-CD2 4.21Å; F431-L444 HydrophobicContact CZ-CB 4.45Å; F431-L444 WeakPolarHBondContact O-CD2 3.44Å; A434-L444 HydrophobicContact CB-CD2 3.53Å; L435-L444 HydrophobicContact CB-CD1 4.33Å; L435-L444 HydrophobicContact CD1-CD1 3.57Å; E440-L444 PolarHBondContact O-N 3.46Å; P441-L444 PolarHBondContact O-N 3.05Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.45Å; L444-V447 PolarHBondContact O-N 3.32Å; L444-Y448 WeakPolarHBondContact O-CB 3.46Å; L444-Y448 PolarHBondContact O-N 3.38Å; L444-M470 HydrophobicContact CB-SD 3.66Å; L444-M470 HydrophobicContact CD1-CG 3.92Å; L444-M470 HydrophobicContact CD1-SD 3.74Å; L444-M470 HydrophobicContact CG-SD 4.37Å; L444-Y474 HydrophobicContact CD1-CE2 3.84Å; L444-Y474 VanDerWaalsContact CD1-OH 3.24Å; L444-Y474 WeakPolarHBondContact CD1-OH 2.79Å
445	L	87.8	Confident	80.2	Confident	41 Å²	41	59.8 Å²	59.8	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-36.9	172.2	-71.1	172.7	0	0	0	112	P441 Y448 F449 L467 M470 W471	P441-L445 WeakPolarHBondContact O-CG 3.39Å; P441-L445 PolarHBondContact O-N 3Å; L445-Y448 CarbonylContact O-C 3.54Å; L445-Y448 WeakPolarHBondContact O-CB 3.37Å; L445-Y448 PolarHBondContact O-N 2.94Å; L445-F449 HydrophobicContact CB-CD2 4.27Å; L445-F449 HydrophobicContact CB-CE2 4.19Å; L445-F449 HydrophobicContact CD2-CE2 4.08Å; L445-F449 WeakPolarHBondContact O-CD2 3.46Å; L445-F449 PolarHBondContact O-N 3.46Å; L445-L467 HydrophobicContact CD2-CD1 3.63Å; L445-M470 HydrophobicContact CD2-CE 4.41Å; L445-W471 HydrophobicContact CD1-CZ2 4.27Å
446	T	85.6	Confident	79.7	Confident	73 Å²	73	61.4 Å²	61.4	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-42.7	175.1	-55.3	0	0	0	0	111.2	Y442 K443 L444 Y448 N450	Y442-T446 WeakPolarHBondContact O-CB 3.3Å; Y442-T446 PolarHBondContact O-N 3.01Å; Y442-T446 PolarHBondContact O-OG1 3.19Å; K443-T446 WeakPolarHBondContact O-CB 3.41Å; K443-T446 PolarHBondContact O-N 3.22Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-T446 PolarHBondContact O-N 3.45Å; T446-Y448 VanDerWaalsContact C-N 3.31Å; T446-Y448 PolarHBondContact O-N 2.93Å; T446-N450 WeakPolarHBondContact CG2-ND2 3.43Å; T446-N450 VanDerWaalsContact O-CB 3.23Å; T446-N450 WeakPolarHBondContact O-CB 3.43Å; T446-N450 PolarHBondContact O-N 3.44Å; T446-N450 VanDerWaalsContact O-N 3.09Å; T446-N450 PolarHBondContact O-ND2 3.31Å; T446-N450 VanDerWaalsContact O-ND2 3.15Å
447	V	82.4	Confident	79.4	Confident	54 Å²	54	64.9 Å²	64.9	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-42.1	173.7	173.3	0	0	0	0	110.7	F427 K443 L444	F427-V447 HydrophobicContact CD2-CG1 4.15Å; F427-V447 HydrophobicContact CE2-CG1 3.92Å; F427-V447 WeakPolarHBondContact CE2-O 3.46Å; K443-V447 WeakPolarHBondContact O-CG2 3.18Å; K443-V447 PolarHBondContact O-N 3.26Å; L444-V447 PolarHBondContact O-N 3.32Å
448	Y	84	Confident	78.9	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-55.9	-74.3	172.6	-170.4	-97	0	0	0	109.3	F427 L444 L445 T446 N450 S451 I454 C463 Q464 L467	F427-Y448 AromaticContact CZ-CD2 3.9Å; F427-Y448 HydrophobicContact CZ-CD2 3.9Å; L444-Y448 WeakPolarHBondContact O-CB 3.46Å; L444-Y448 PolarHBondContact O-N 3.38Å; L445-Y448 CarbonylContact O-C 3.54Å; L445-Y448 WeakPolarHBondContact O-CB 3.37Å; L445-Y448 PolarHBondContact O-N 2.94Å; T446-Y448 VanDerWaalsContact C-N 3.31Å; T446-Y448 PolarHBondContact O-N 2.93Å; Y448-N450 PolarHBondContact O-N 3.09Å; Y448-S451 WeakPolarHBondContact O-CB 3.47Å; Y448-S451 PolarHBondContact O-N 3.08Å; Y448-I454 HydrophobicContact CD1-CD1 3.33Å; Y448-I454 HydrophobicContact CD1-CG1 4.5Å; Y448-I454 HydrophobicContact CD2-CD1 3.9Å; Y448-I454 HydrophobicContact CE1-CD1 3.4Å; Y448-I454 VanDerWaalsContact CE1-CD1 3.4Å; Y448-I454 HydrophobicContact CE1-CG1 4.23Å; Y448-I454 HydrophobicContact CE1-CG2 4.35Å; Y448-I454 HydrophobicContact CE2-CD1 3.94Å; Y448-I454 HydrophobicContact CE2-CG1 4.25Å; Y448-I454 HydrophobicContact CG-CD1 3.57Å; Y448-I454 WeakPolarHBondContact O-CD1 3.34Å; Y448-C463 HydrophobicContact CE2-CB 3.78Å; Y448-C463 WeakPolarHBondContact CE2-O 3.43Å; Y448-Q464 PolarHBondContact OH-NE2 2.77Å; Y448-L467 HydrophobicContact CD2-CB 4.49Å; Y448-L467 HydrophobicContact CE1-CD2 4.12Å; Y448-L467 HydrophobicContact CE2-CB 4.09Å
449	F	82.9	Confident	78.7	Confident	144 Å²	144	61 Å²	61	63%	0.632	32%	0.318	S	S	*	.	H	α-helix	trans	-58.2	-24.1	-171.7	-69.3	-63.8	0	0	0	115.5	L445 S451	L445-F449 HydrophobicContact CB-CD2 4.27Å; L445-F449 HydrophobicContact CB-CE2 4.19Å; L445-F449 HydrophobicContact CD2-CE2 4.08Å; L445-F449 WeakPolarHBondContact O-CD2 3.46Å; L445-F449 PolarHBondContact O-N 3.46Å; F449-S451 VanDerWaalsContact C-N 3.29Å
450	N	80.3	Confident	78.6	Confident	125 Å²	125	63.4 Å²	63.4	67%	0.668	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5	175	-68.4	-20.3	0	0	0	114.1	T446 Y448	T446-N450 WeakPolarHBondContact CG2-ND2 3.43Å; T446-N450 VanDerWaalsContact O-CB 3.23Å; T446-N450 WeakPolarHBondContact O-CB 3.43Å; T446-N450 PolarHBondContact O-N 3.44Å; T446-N450 VanDerWaalsContact O-N 3.09Å; T446-N450 PolarHBondContact O-ND2 3.31Å; T446-N450 VanDerWaalsContact O-ND2 3.15Å; Y448-N450 PolarHBondContact O-N 3.09Å
451	S	75.4	Confident	78.5	Confident	15 Å²	15	61 Å²	61	11%	0.105	31%	0.314	C	S	.	.			trans	-79.3	123	179.2	178.8	0	0	0	0	111.6	F427 Y448 F449 N453 I454	F427-S451 WeakPolarHBondContact CD2-OG 3.28Å; Y448-S451 WeakPolarHBondContact O-CB 3.47Å; Y448-S451 PolarHBondContact O-N 3.08Å; F449-S451 VanDerWaalsContact C-N 3.29Å; S451-N453 PolarHBondContact O-N 2.71Å; S451-N453 PolarHBondContact OG-N 2.76Å; S451-I454 PolarHBondContact O-N 3.08Å
452	V	71.7	Confident	78.5	Confident	121 Å²	121	59.5 Å²	59.5	73%	0.733	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.4	173.8	-174.1	0	0	0	0	111.6	I454 I455	V452-I454 VanDerWaalsContact C-N 3.26Å; V452-I454 PolarHBondContact O-N 2.98Å; V452-I455 PolarHBondContact O-N 2.92Å
453	N	67.7	Low	78.4	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.053	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-72.3	-16.8	-175.1	-53.5	-42.4	0	0	0	113.5	T423 L424 S451 I455 S456	T423-N453 PolarHBondContact O-ND2 2.84Å; T423-N453 VanDerWaalsContact O-ND2 3.08Å; T423-N453 PolarHBondContact OG1-OD1 2.91Å; L424-N453 VanDerWaalsContact CA-ND2 3.32Å; L424-N453 WeakPolarHBondContact CA-ND2 3.3Å; L424-N453 HydrophobicContact CD1-CB 4.22Å; L424-N453 PolarHBondContact N-ND2 3.29Å; S451-N453 PolarHBondContact O-N 2.71Å; S451-N453 PolarHBondContact OG-N 2.76Å; N453-I455 VanDerWaalsContact C-N 3.28Å; N453-I455 PolarHBondContact O-N 3.37Å; N453-S456 WeakPolarHBondContact O-CB 3.35Å; N453-S456 PolarHBondContact O-N 3.44Å
454	I	63.8	Low	78.4	Confident	28 Å²	28	50 Å²	50	14%	0.144	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67.2	-33.9	178.7	-68.2	175.5	0	0	0	111.4	Y448 S451 V452 S456 C463	Y448-I454 HydrophobicContact CD1-CD1 3.33Å; Y448-I454 HydrophobicContact CD1-CG1 4.5Å; Y448-I454 HydrophobicContact CD2-CD1 3.9Å; Y448-I454 HydrophobicContact CE1-CD1 3.4Å; Y448-I454 VanDerWaalsContact CE1-CD1 3.4Å; Y448-I454 HydrophobicContact CE1-CG1 4.23Å; Y448-I454 HydrophobicContact CE1-CG2 4.35Å; Y448-I454 HydrophobicContact CE2-CD1 3.94Å; Y448-I454 HydrophobicContact CE2-CG1 4.25Å; Y448-I454 HydrophobicContact CG-CD1 3.57Å; Y448-I454 WeakPolarHBondContact O-CD1 3.34Å; S451-I454 PolarHBondContact O-N 3.08Å; V452-I454 VanDerWaalsContact C-N 3.26Å; V452-I454 PolarHBondContact O-N 2.98Å; I454-S456 PolarHBondContact O-N 3.48Å; I454-C463 HydrophobicContact CG1-CB 4.42Å
455	I	67.1	Low	78.4	Confident	154 Å²	154	50.6 Å²	50.6	79%	0.79	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20	179.7	-54.9	175	0	0	0	110.2	V452 N453 Q457	V452-I455 PolarHBondContact O-N 2.92Å; N453-I455 VanDerWaalsContact C-N 3.28Å; N453-I455 PolarHBondContact O-N 3.37Å; I455-Q457 PolarHBondContact O-N 3.38Å
456	S	72.2	Confident	78.4	Confident	33 Å²	33	48.8 Å²	48.8	23%	0.231	26%	0.26	C	S	.	.			trans	-72.4	115.3	178.8	-173.6	0	0	0	0	111	N453 I454 A458 Y459 F460	N453-S456 WeakPolarHBondContact O-CB 3.35Å; N453-S456 PolarHBondContact O-N 3.44Å; I454-S456 PolarHBondContact O-N 3.48Å; S456-A458 PolarHBondContact O-N 3.34Å; S456-A458 VanDerWaalsContact O-N 3.1Å; S456-Y459 PolarHBondContact O-N 3.48Å; S456-Y459 WeakPolarHBondContact OG-CD2 3.23Å; S456-F460 PolarHBondContact O-N 3.16Å
457	Q	72.4	Confident	78.6	Confident	107 Å²	107	45.9 Å²	45.9	50%	0.5	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.7	174.3	-170.4	-176.2	-0.7	0	0	112.8	I455 Y459 E494	I455-Q457 PolarHBondContact O-N 3.38Å; Q457-Y459 VanDerWaalsContact C-N 3.29Å; Q457-Y459 PolarHBondContact O-N 2.68Å; Q457-E494 PolarHBondContact NE2-OE1 2.91Å; Q457-E494 PolarHBondContact NE2-OE2 3.05Å
458	A	68.7	Low	78.9	Confident	22 Å²	22	43.3 Å²	43.3	18%	0.182	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.1	-179.2	0	0	0	0	0	114.2	S456 C496	S456-A458 PolarHBondContact O-N 3.34Å; S456-A458 VanDerWaalsContact O-N 3.1Å; A458-C496 WeakPolarHBondContact O-CB 3.4Å
459	Y	76.5	Confident	78.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.008	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-4.4	-173	-50.9	-65.5	0	0	0	114.1	N420 D421 L424 S456 Q457 T461 V462 C463	N420-Y459 HydrophobicContact CB-CE2 3.62Å; D421-Y459 WeakPolarHBondContact OD1-CE1 3.39Å; D421-Y459 VanDerWaalsContact OD1-CZ 3.31Å; D421-Y459 PolarHBondContact OD1-OH 3.48Å; L424-Y459 HydrophobicContact CD1-CG 4.27Å; L424-Y459 HydrophobicContact CD2-CD1 3.38Å; L424-Y459 HydrophobicContact CD2-CE1 3.79Å; L424-Y459 HydrophobicContact CD2-CG 3.93Å; L424-Y459 HydrophobicContact CG-CD1 4.41Å; S456-Y459 PolarHBondContact O-N 3.48Å; S456-Y459 WeakPolarHBondContact OG-CD2 3.23Å; Q457-Y459 VanDerWaalsContact C-N 3.29Å; Q457-Y459 PolarHBondContact O-N 2.68Å; Y459-T461 VanDerWaalsContact C-N 3.31Å; Y459-T461 PolarHBondContact O-N 3.06Å; Y459-V462 WeakPolarHBondContact O-CB 3.46Å; Y459-V462 PolarHBondContact O-N 3.3Å; Y459-C463 PolarHBondContact O-N 3.01Å; Y459-C463 PolarHBondContact O-SG 3.17Å
460	F	82.5	Confident	79.2	Confident	79 Å²	79	37.9 Å²	37.9	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-50.7	-49.8	179.4	174.8	-101.2	0	0	0	112.2	S456 V462 C463 Q464 A490	S456-F460 PolarHBondContact O-N 3.16Å; F460-V462 VanDerWaalsContact C-N 3.3Å; F460-V462 PolarHBondContact O-N 3.38Å; F460-C463 PolarHBondContact O-N 2.75Å; F460-Q464 HydrophobicContact CD1-CG 4.2Å; F460-Q464 HydrophobicContact CD2-CG 4.23Å; F460-Q464 HydrophobicContact CE1-CG 3.83Å; F460-Q464 HydrophobicContact CE2-CG 3.87Å; F460-Q464 VanDerWaalsContact CE2-NE2 3.27Å; F460-Q464 HydrophobicContact CG-CG 4.4Å; F460-Q464 HydrophobicContact CZ-CG 3.65Å; F460-Q464 WeakPolarHBondContact O-CB 3.47Å; F460-Q464 VanDerWaalsContact O-CG 3.25Å; F460-Q464 WeakPolarHBondContact O-CG 3.35Å; F460-Q464 PolarHBondContact O-N 3.4Å; F460-A490 HydrophobicContact CE1-CB 4.37Å
461	T	83.9	Confident	79.6	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-32.3	-179.1	54	0	0	0	0	112.6	Y459 L465 A490 D491 C496 I502	Y459-T461 VanDerWaalsContact C-N 3.31Å; Y459-T461 PolarHBondContact O-N 3.06Å; T461-L465 PolarHBondContact O-N 3.24Å; T461-L465 VanDerWaalsContact O-N 3.09Å; T461-A490 HydrophobicContact CG2-CB 4.19Å; T461-D491 HydrophobicContact CG2-CB 3.84Å; T461-C496 VanDerWaalsContact OG1-CB 3.24Å; T461-C496 WeakPolarHBondContact OG1-CB 3.38Å; T461-C496 PolarHBondContact OG1-SG 3.27Å; T461-I502 WeakPolarHBondContact OG1-CD1 3.31Å
462	V	83.5	Confident	79.9	Confident	5 Å²	5	36 Å²	36	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-50	175.4	-179	0	0	0	0	110.2	Y459 F460 Q464 L465 D466 I502	Y459-V462 WeakPolarHBondContact O-CB 3.46Å; Y459-V462 PolarHBondContact O-N 3.3Å; F460-V462 VanDerWaalsContact C-N 3.3Å; F460-V462 PolarHBondContact O-N 3.38Å; V462-Q464 VanDerWaalsContact C-N 3.33Å; V462-Q464 PolarHBondContact O-N 2.94Å; V462-L465 WeakPolarHBondContact O-CB 3.13Å; V462-L465 PolarHBondContact O-N 3.35Å; V462-D466 PolarHBondContact O-N 3.49Å; V462-D466 VanDerWaalsContact O-N 3.16Å; V462-I502 HydrophobicContact CB-CD1 4.15Å; V462-I502 HydrophobicContact CG2-CD1 3.37Å; V462-I502 HydrophobicContact CG2-CG1 4.36Å
463	C	85	Confident	80.6	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-41.5	179.3	-66.6	0	0	0	0	111.1	Y448 I454 Y459 F460 L465 D466 L467	Y448-C463 HydrophobicContact CE2-CB 3.78Å; Y448-C463 WeakPolarHBondContact CE2-O 3.43Å; I454-C463 HydrophobicContact CG1-CB 4.42Å; Y459-C463 PolarHBondContact O-N 3.01Å; Y459-C463 PolarHBondContact O-SG 3.17Å; F460-C463 PolarHBondContact O-N 2.75Å; C463-L465 VanDerWaalsContact C-N 3.31Å; C463-L465 PolarHBondContact O-N 3.35Å; C463-D466 WeakPolarHBondContact O-CB 3.31Å; C463-D466 PolarHBondContact O-N 2.96Å; C463-L467 PolarHBondContact O-N 2.93Å
464	Q	87.2	Confident	81.3	Confident	30 Å²	30	30.8 Å²	30.8	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-35.7	176.5	-71.4	-68.2	-12	0	0	112.3	Y448 F460 V462 L467 A468 I487	Y448-Q464 PolarHBondContact OH-NE2 2.77Å; F460-Q464 HydrophobicContact CD1-CG 4.2Å; F460-Q464 HydrophobicContact CD2-CG 4.23Å; F460-Q464 HydrophobicContact CE1-CG 3.83Å; F460-Q464 HydrophobicContact CE2-CG 3.87Å; F460-Q464 VanDerWaalsContact CE2-NE2 3.27Å; F460-Q464 HydrophobicContact CG-CG 4.4Å; F460-Q464 HydrophobicContact CZ-CG 3.65Å; F460-Q464 WeakPolarHBondContact O-CB 3.47Å; F460-Q464 VanDerWaalsContact O-CG 3.25Å; F460-Q464 WeakPolarHBondContact O-CG 3.35Å; F460-Q464 PolarHBondContact O-N 3.4Å; V462-Q464 VanDerWaalsContact C-N 3.33Å; V462-Q464 PolarHBondContact O-N 2.94Å; Q464-L467 PolarHBondContact O-N 3.43Å; Q464-A468 WeakPolarHBondContact O-CB 3.47Å; Q464-A468 PolarHBondContact O-N 2.88Å; Q464-I487 HydrophobicContact CB-CD1 3.83Å; Q464-I487 HydrophobicContact CB-CG1 3.6Å
465	L	86.8	Confident	82	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-42	174.4	-176.5	69.2	0	0	0	111.5	T461 V462 C463 L467 A468 T469 M484 I487 I502 N505	T461-L465 PolarHBondContact O-N 3.24Å; T461-L465 VanDerWaalsContact O-N 3.09Å; V462-L465 WeakPolarHBondContact O-CB 3.13Å; V462-L465 PolarHBondContact O-N 3.35Å; C463-L465 VanDerWaalsContact C-N 3.31Å; C463-L465 PolarHBondContact O-N 3.35Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 PolarHBondContact O-N 3.18Å; L465-A468 PolarHBondContact O-N 3.25Å; L465-T469 WeakPolarHBondContact O-CG2 3.41Å; L465-T469 PolarHBondContact O-N 3.06Å; L465-T469 PolarHBondContact O-OG1 2.74Å; L465-M484 HydrophobicContact CD1-CE 3.65Å; L465-M484 HydrophobicContact CD1-SD 3.51Å; L465-M484 VanDerWaalsContact CD1-SD 3.51Å; L465-I487 HydrophobicContact CB-CD1 4.14Å; L465-I487 HydrophobicContact CD1-CD1 4.41Å; L465-I502 HydrophobicContact CD2-CB 4.49Å; L465-I502 HydrophobicContact CD2-CG1 4.3Å; L465-I502 HydrophobicContact CD2-CG2 4.32Å; L465-N505 HydrophobicContact CD1-CB 4.28Å; L465-N505 HydrophobicContact CD2-CB 4.08Å
466	D	87.2	Confident	82.7	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-38.6	174.2	-65.8	-31	0	0	0	111.1	R428 F431 W432 V462 C463 T469 M470	R428-D466 WeakPolarHBondContact CD-OD2 3.38Å; R428-D466 WeakPolarHBondContact CG-OD2 3.35Å; R428-D466 IonicContact CZ-OD1 2.63Å; R428-D466 IonicContact CZ-OD2 3.38Å; R428-D466 IonicContact NE-OD1 3.19Å; R428-D466 PolarHBondContact NE-OD1 2.94Å; R428-D466 IonicContact NE-OD2 3.36Å; R428-D466 PolarHBondContact NE-OD2 3.3Å; R428-D466 IonicContact NH2-OD1 2.68Å; R428-D466 PolarHBondContact NH2-OD1 2.95Å; R428-D466 IonicContact NH2-OD2 2.79Å; F431-D466 HydrophobicContact CD1-CB 4.31Å; F431-D466 HydrophobicContact CE1-CB 4.06Å; W432-D466 HydrophobicContact CZ2-CB 4.19Å; W432-D466 WeakPolarHBondContact CZ2-OD1 3.45Å; W432-D466 PolarHBondContact NE1-OD1 2.82Å; W432-D466 VanDerWaalsContact NE1-OD1 3.15Å; V462-D466 PolarHBondContact O-N 3.49Å; V462-D466 VanDerWaalsContact O-N 3.16Å; C463-D466 WeakPolarHBondContact O-CB 3.31Å; C463-D466 PolarHBondContact O-N 2.96Å; D466-T469 WeakPolarHBondContact CA-OG1 3.44Å; D466-T469 PolarHBondContact O-OG1 2.96Å; D466-M470 WeakPolarHBondContact O-CB 3.28Å; D466-M470 PolarHBondContact O-N 3.48Å
467	L	89.4	Confident	83	Confident	12 Å²	12	25.2 Å²	25.2	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-67.6	-43.1	175.4	-175.6	65	0	0	0	112.4	L445 Y448 C463 Q464 L465 M470 W471 L483	L445-L467 HydrophobicContact CD2-CD1 3.63Å; Y448-L467 HydrophobicContact CD2-CB 4.49Å; Y448-L467 HydrophobicContact CE1-CD2 4.12Å; Y448-L467 HydrophobicContact CE2-CB 4.09Å; C463-L467 PolarHBondContact O-N 2.93Å; Q464-L467 PolarHBondContact O-N 3.43Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 PolarHBondContact O-N 3.18Å; L467-M470 HydrophobicContact CD1-CE 3.71Å; L467-M470 HydrophobicContact CD1-SD 4.26Å; L467-M470 WeakPolarHBondContact O-CB 3.46Å; L467-M470 PolarHBondContact O-N 3.17Å; L467-W471 PolarHBondContact O-N 2.83Å; L467-L483 HydrophobicContact CD2-CD1 4.31Å; L467-L483 HydrophobicContact CG-CD1 4.22Å
468	A	88.3	Confident	83.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-40.3	179.3	0	0	0	0	0	111.5	Q464 L465 W471 Q472 A480 L483 M484 I487	Q464-A468 WeakPolarHBondContact O-CB 3.47Å; Q464-A468 PolarHBondContact O-N 2.88Å; L465-A468 PolarHBondContact O-N 3.25Å; A468-W471 PolarHBondContact O-N 3.22Å; A468-Q472 PolarHBondContact O-N 3.26Å; A468-A480 WeakPolarHBondContact O-CB 3.47Å; A468-L483 HydrophobicContact CB-CB 3.73Å; A468-L483 HydrophobicContact CB-CD1 4.18Å; A468-M484 HydrophobicContact CB-CE 3.57Å; A468-M484 HydrophobicContact CB-CG 4.32Å; A468-M484 HydrophobicContact CB-SD 4.02Å; A468-I487 HydrophobicContact CB-CD1 4.3Å
469	T	85.2	Confident	84.2	Confident	33 Å²	33	27.5 Å²	27.5	20%	0.202	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-35	174.5	50.6	0	0	0	0	112.6	W432 L465 D466 Q472 F473 M484	W432-T469 VanDerWaalsContact CH2-OG1 3.27Å; W432-T469 WeakPolarHBondContact CH2-OG1 3.26Å; L465-T469 WeakPolarHBondContact O-CG2 3.41Å; L465-T469 PolarHBondContact O-N 3.06Å; L465-T469 PolarHBondContact O-OG1 2.74Å; D466-T469 WeakPolarHBondContact CA-OG1 3.44Å; D466-T469 PolarHBondContact O-OG1 2.96Å; T469-Q472 PolarHBondContact O-N 3.45Å; T469-F473 WeakPolarHBondContact O-CB 3.23Å; T469-F473 PolarHBondContact O-N 2.85Å; T469-M484 HydrophobicContact CG2-CE 4.18Å
470	M	88.5	Confident	84.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-48.2	170.1	-177.5	-155.9	78.9	0	0	111.6	F431 L435 L444 L445 D466 L467 Q472 F473 Y474	F431-M470 HydrophobicContact CE1-CB 4.28Å; F431-M470 HydrophobicContact CE2-SD 4.3Å; F431-M470 HydrophobicContact CZ-CB 3.93Å; F431-M470 HydrophobicContact CZ-CG 4.12Å; F431-M470 HydrophobicContact CZ-SD 3.85Å; L435-M470 HydrophobicContact CD1-CG 4.31Å; L444-M470 HydrophobicContact CB-SD 3.66Å; L444-M470 HydrophobicContact CD1-CG 3.92Å; L444-M470 HydrophobicContact CD1-SD 3.74Å; L444-M470 HydrophobicContact CG-SD 4.37Å; L445-M470 HydrophobicContact CD2-CE 4.41Å; D466-M470 WeakPolarHBondContact O-CB 3.28Å; D466-M470 PolarHBondContact O-N 3.48Å; L467-M470 HydrophobicContact CD1-CE 3.71Å; L467-M470 HydrophobicContact CD1-SD 4.26Å; L467-M470 WeakPolarHBondContact O-CB 3.46Å; L467-M470 PolarHBondContact O-N 3.17Å; M470-Q472 VanDerWaalsContact C-N 3.3Å; M470-Q472 PolarHBondContact O-N 3.1Å; M470-F473 WeakPolarHBondContact O-CB 3.39Å; M470-F473 PolarHBondContact O-N 2.89Å; M470-Y474 HydrophobicContact CG-CD2 3.8Å; M470-Y474 HydrophobicContact CG-CE2 3.54Å; M470-Y474 VanDerWaalsContact O-CD2 3.22Å; M470-Y474 WeakPolarHBondContact O-CD2 3.37Å; M470-Y474 PolarHBondContact O-N 3.41Å; M470-Y474 VanDerWaalsContact O-N 3.07Å; M470-Y474 HydrophobicContact SD-CE2 4.22Å
471	W	87.9	Confident	84.9	Confident	37 Å²	37	24.7 Å²	24.7	14%	0.14	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-38.9	177.4	-75.4	115.5	0	0	0	112.3	L445 L467 A468 F473 Y474 G475 Y476 M479 A480	L445-W471 HydrophobicContact CD1-CZ2 4.27Å; L467-W471 PolarHBondContact O-N 2.83Å; A468-W471 PolarHBondContact O-N 3.22Å; W471-F473 VanDerWaalsContact C-N 3.34Å; W471-Y474 PolarHBondContact O-N 3.48Å; W471-G475 PolarHBondContact O-N 3.04Å; W471-Y476 AromaticContact CE3-CD2 3.57Å; W471-Y476 HydrophobicContact CE3-CD2 3.57Å; W471-Y476 HydrophobicContact CE3-CE2 4.25Å; W471-Y476 AromaticContact CE3-CG 3.86Å; W471-Y476 HydrophobicContact CE3-CG 3.86Å; W471-Y476 AromaticContact CZ3-CD2 3.84Å; W471-Y476 HydrophobicContact CZ3-CD2 3.84Å; W471-Y476 HydrophobicContact CZ3-CE2 4.07Å; W471-Y476 HydrophobicContact CZ3-CG 4.25Å; W471-Y476 WeakPolarHBondContact O-CA 3.08Å; W471-Y476 WeakPolarHBondContact O-CB 3.01Å; W471-Y476 PolarHBondContact O-N 3.36Å; W471-M479 HydrophobicContact CD2-CE 4.2Å; W471-M479 HydrophobicContact CD2-CG 4.27Å; W471-M479 HydrophobicContact CD2-SD 3.51Å; W471-M479 VanDerWaalsContact CD2-SD 3.51Å; W471-M479 VanDerWaalsContact CE2-CE 3.47Å; W471-M479 HydrophobicContact CE3-SD 3.92Å; W471-M479 HydrophobicContact CG-CB 4.48Å; W471-M479 HydrophobicContact CG-CG 4.09Å; W471-M479 HydrophobicContact CG-SD 3.95Å; W471-M479 HydrophobicContact CH2-CE 4.48Å; W471-M479 HydrophobicContact CH2-SD 4.11Å; W471-M479 HydrophobicContact CZ2-CE 3.64Å; W471-M479 HydrophobicContact CZ2-SD 3.73Å; W471-M479 HydrophobicContact CZ3-SD 4.2Å; W471-A480 HydrophobicContact CB-CB 4.3Å
472	Q	83.6	Confident	85.1	Confident	64 Å²	64	28.5 Å²	28.5	30%	0.299	15%	0.146	S	C	.	.	H	α-helix	trans	-62.1	-42.3	173.8	-163.8	176	16.3	0	0	111.6	A468 T469 M470 G475 A480	A468-Q472 PolarHBondContact O-N 3.26Å; T469-Q472 PolarHBondContact O-N 3.45Å; M470-Q472 VanDerWaalsContact C-N 3.3Å; M470-Q472 PolarHBondContact O-N 3.1Å; Q472-G475 PolarHBondContact O-N 3.33Å; Q472-G475 VanDerWaalsContact O-N 3.16Å; Q472-A480 HydrophobicContact CB-CB 3.93Å
473	F	84.5	Confident	85.5	Confident	15 Å²	15	29.6 Å²	29.6	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-43.9	177.4	174.9	-92.8	0	0	0	112.9	L435 T469 M470 W471 G475 C662 L666 L704	L435-F473 HydrophobicContact CD1-CD1 3.71Å; L435-F473 HydrophobicContact CD1-CE1 3.92Å; L435-F473 HydrophobicContact CD1-CG 4.39Å; L435-F473 HydrophobicContact CD2-CG 4.48Å; L435-F473 HydrophobicContact CG-CD1 4.35Å; L435-F473 HydrophobicContact CG-CE1 4.42Å; T469-F473 WeakPolarHBondContact O-CB 3.23Å; T469-F473 PolarHBondContact O-N 2.85Å; M470-F473 WeakPolarHBondContact O-CB 3.39Å; M470-F473 PolarHBondContact O-N 2.89Å; W471-F473 VanDerWaalsContact C-N 3.34Å; F473-G475 PolarHBondContact O-N 3.3Å; F473-C662 HydrophobicContact CD2-CB 4.16Å; F473-C662 HydrophobicContact CE2-CB 3.56Å; F473-C662 WeakPolarHBondContact CE2-O 3.25Å; F473-C662 HydrophobicContact CZ-CB 3.89Å; F473-L666 HydrophobicContact CD2-CD1 3.61Å; F473-L666 HydrophobicContact CD2-CD2 4.24Å; F473-L666 HydrophobicContact CD2-CG 3.84Å; F473-L666 HydrophobicContact CE2-CD1 4.13Å; F473-L666 HydrophobicContact CE2-CD2 4.2Å; F473-L666 HydrophobicContact CE2-CG 3.83Å; F473-L704 HydrophobicContact CD1-CD2 4.31Å; F473-L704 HydrophobicContact CD2-CD2 4.44Å; F473-L704 HydrophobicContact CE1-CD2 3.78Å; F473-L704 HydrophobicContact CE2-CD2 3.89Å; F473-L704 HydrophobicContact CZ-CD2 3.55Å; F473-L704 HydrophobicContact CZ-CG 4.5Å
474	Y	83.9	Confident	85.8	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.024	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.1	177.9	-70.3	-67.5	0	0	0	114.3	L435 S439 P441 L444 M470 W471 R703 S705	L435-Y474 HydrophobicContact CD1-CE2 3.74Å; L435-Y474 WeakPolarHBondContact CD1-OH 3.1Å; S439-Y474 PolarHBondContact O-OH 3.34Å; P441-Y474 HydrophobicContact CB-CD2 4.45Å; P441-Y474 HydrophobicContact CB-CE2 4.27Å; P441-Y474 HydrophobicContact CG-CD1 4.1Å; P441-Y474 HydrophobicContact CG-CD2 3.93Å; P441-Y474 HydrophobicContact CG-CE1 4Å; P441-Y474 HydrophobicContact CG-CE2 3.83Å; P441-Y474 HydrophobicContact CG-CG 4.07Å; L444-Y474 HydrophobicContact CD1-CE2 3.84Å; L444-Y474 VanDerWaalsContact CD1-OH 3.24Å; L444-Y474 WeakPolarHBondContact CD1-OH 2.79Å; M470-Y474 HydrophobicContact CG-CD2 3.8Å; M470-Y474 HydrophobicContact CG-CE2 3.54Å; M470-Y474 VanDerWaalsContact O-CD2 3.22Å; M470-Y474 WeakPolarHBondContact O-CD2 3.37Å; M470-Y474 PolarHBondContact O-N 3.41Å; M470-Y474 VanDerWaalsContact O-N 3.07Å; M470-Y474 HydrophobicContact SD-CE2 4.22Å; W471-Y474 PolarHBondContact O-N 3.48Å; Y474-R703 HydrophobicContact CE1-CB 4.36Å; Y474-S705 PolarHBondContact O-OG 3.01Å
475	G	78.4	Confident	85.9	Confident	7 Å²	7	33.1 Å²	33.1	7%	0.072	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	36.3	177.7	0	0	0	0	0	114.3	W471 Q472 F473 P477 R783	W471-G475 PolarHBondContact O-N 3.04Å; Q472-G475 PolarHBondContact O-N 3.33Å; Q472-G475 VanDerWaalsContact O-N 3.16Å; F473-G475 PolarHBondContact O-N 3.3Å; G475-P477 WeakPolarHBondContact O-CD 3.36Å; G475-R783 VanDerWaalsContact O-CB 3.28Å; G475-R783 WeakPolarHBondContact O-CB 3.38Å
476	Y	82.2	Confident	86.1	Confident	79 Å²	79	36 Å²	36	31%	0.31	19%	0.189	S	C	.	.			trans	-119.8	67.2	173.9	-61.3	-85.6	0	0	0	111.6	W471 N478 M479 A480 R783	W471-Y476 AromaticContact CE3-CD2 3.57Å; W471-Y476 HydrophobicContact CE3-CD2 3.57Å; W471-Y476 HydrophobicContact CE3-CE2 4.25Å; W471-Y476 AromaticContact CE3-CG 3.86Å; W471-Y476 HydrophobicContact CE3-CG 3.86Å; W471-Y476 AromaticContact CZ3-CD2 3.84Å; W471-Y476 HydrophobicContact CZ3-CD2 3.84Å; W471-Y476 HydrophobicContact CZ3-CE2 4.07Å; W471-Y476 HydrophobicContact CZ3-CG 4.25Å; W471-Y476 WeakPolarHBondContact O-CA 3.08Å; W471-Y476 WeakPolarHBondContact O-CB 3.01Å; W471-Y476 PolarHBondContact O-N 3.36Å; Y476-N478 VanDerWaalsContact C-N 3.32Å; Y476-N478 PolarHBondContact O-N 3.42Å; Y476-M479 PolarHBondContact O-N 2.73Å; Y476-A480 PolarHBondContact O-N 3.39Å; Y476-A480 VanDerWaalsContact O-N 3.09Å; Y476-R783 HydrophobicContact CD1-CG 4.4Å; Y476-R783 HydrophobicContact CE1-CG 4.3Å
477	P	78.1	Confident	86.1	Confident	13 Å²	13	36 Å²	36	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-32.5	-174.4	27	-34.9	0	0	0	112.9	G475 A480 T481 R783	G475-P477 WeakPolarHBondContact O-CD 3.36Å; P477-A480 PolarHBondContact O-N 3.32Å; P477-T481 WeakPolarHBondContact O-CB 3.36Å; P477-T481 PolarHBondContact O-N 3.05Å; P477-T481 PolarHBondContact O-OG1 3.48Å; P477-R783 WeakPolarHBondContact CD-O 3.5Å; P477-R783 WeakPolarHBondContact CG-O 3.48Å
478	N	81.4	Confident	86	Confident	87 Å²	87	36.5 Å²	36.5	47%	0.465	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-46.2	177.1	-69.1	-31	0	0	0	111.6	Y476 T481 V482	Y476-N478 VanDerWaalsContact C-N 3.32Å; Y476-N478 PolarHBondContact O-N 3.42Å; N478-T481 PolarHBondContact O-N 3.46Å; N478-V482 WeakPolarHBondContact O-CG2 3.32Å; N478-V482 PolarHBondContact O-N 2.83Å
479	M	85	Confident	85.9	Confident	90 Å²	90	40.1 Å²	40.1	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-42.4	177.6	-172.3	168.3	-176.2	0	0	111	W471 Y476 T481 V482 L483	W471-M479 HydrophobicContact CD2-CE 4.2Å; W471-M479 HydrophobicContact CD2-CG 4.27Å; W471-M479 HydrophobicContact CD2-SD 3.51Å; W471-M479 VanDerWaalsContact CD2-SD 3.51Å; W471-M479 VanDerWaalsContact CE2-CE 3.47Å; W471-M479 HydrophobicContact CE3-SD 3.92Å; W471-M479 HydrophobicContact CG-CB 4.48Å; W471-M479 HydrophobicContact CG-CG 4.09Å; W471-M479 HydrophobicContact CG-SD 3.95Å; W471-M479 HydrophobicContact CH2-CE 4.48Å; W471-M479 HydrophobicContact CH2-SD 4.11Å; W471-M479 HydrophobicContact CZ2-CE 3.64Å; W471-M479 HydrophobicContact CZ2-SD 3.73Å; W471-M479 HydrophobicContact CZ3-SD 4.2Å; Y476-M479 PolarHBondContact O-N 2.73Å; M479-T481 VanDerWaalsContact C-N 3.35Å; M479-T481 PolarHBondContact O-N 2.86Å; M479-V482 PolarHBondContact O-N 3.12Å; M479-L483 HydrophobicContact CG-CD1 4.33Å; M479-L483 WeakPolarHBondContact O-CG 3.45Å; M479-L483 PolarHBondContact O-N 3.44Å
480	A	86.1	Confident	85.9	Confident	4 Å²	4	40 Å²	40	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-46.8	173.8	0	0	0	0	0	111.5	A468 W471 Q472 Y476 P477 V482 L483 M484	A468-A480 WeakPolarHBondContact O-CB 3.47Å; W471-A480 HydrophobicContact CB-CB 4.3Å; Q472-A480 HydrophobicContact CB-CB 3.93Å; Y476-A480 PolarHBondContact O-N 3.39Å; Y476-A480 VanDerWaalsContact O-N 3.09Å; P477-A480 PolarHBondContact O-N 3.32Å; A480-V482 PolarHBondContact O-N 3.32Å; A480-L483 PolarHBondContact O-N 2.92Å; A480-M484 VanDerWaalsContact O-CG 3.23Å; A480-M484 WeakPolarHBondContact O-CG 3.41Å; A480-M484 PolarHBondContact O-N 3.47Å
481	T	86.4	Confident	85.6	Confident	17 Å²	17	40 Å²	40	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-43.6	-179.1	-56.7	0	0	0	0	112.1	P477 N478 M479 L483 M484 Q485	P477-T481 WeakPolarHBondContact O-CB 3.36Å; P477-T481 PolarHBondContact O-N 3.05Å; P477-T481 PolarHBondContact O-OG1 3.48Å; N478-T481 PolarHBondContact O-N 3.46Å; M479-T481 VanDerWaalsContact C-N 3.35Å; M479-T481 PolarHBondContact O-N 2.86Å; T481-L483 VanDerWaalsContact C-N 3.34Å; T481-L483 PolarHBondContact O-N 3.24Å; T481-M484 PolarHBondContact O-N 3.43Å; T481-Q485 WeakPolarHBondContact O-CG 3.39Å; T481-Q485 PolarHBondContact O-N 3.39Å
482	V	89.5	Confident	85.2	Confident	85 Å²	85	41.6 Å²	41.6	52%	0.515	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-44.6	175.7	172.6	0	0	0	0	110.5	N478 M479 A480 M484 Q485 C486	N478-V482 WeakPolarHBondContact O-CG2 3.32Å; N478-V482 PolarHBondContact O-N 2.83Å; M479-V482 PolarHBondContact O-N 3.12Å; A480-V482 PolarHBondContact O-N 3.32Å; V482-M484 VanDerWaalsContact C-N 3.35Å; V482-M484 PolarHBondContact O-N 3.45Å; V482-Q485 WeakPolarHBondContact O-CB 3.1Å; V482-Q485 PolarHBondContact O-N 3.15Å; V482-C486 PolarHBondContact O-N 3.32Å; V482-C486 PolarHBondContact O-SG 3.3Å; V482-C486 VanDerWaalsContact O-SG 3.32Å
483	L	90.8	Very high	85	Confident	28 Å²	28	45.5 Å²	45.5	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-41.3	175.4	-70.3	170.5	0	0	0	111.9	L467 A468 M479 A480 T481 Q485 C486 I487	L467-L483 HydrophobicContact CD2-CD1 4.31Å; L467-L483 HydrophobicContact CG-CD1 4.22Å; A468-L483 HydrophobicContact CB-CB 3.73Å; A468-L483 HydrophobicContact CB-CD1 4.18Å; M479-L483 HydrophobicContact CG-CD1 4.33Å; M479-L483 WeakPolarHBondContact O-CG 3.45Å; M479-L483 PolarHBondContact O-N 3.44Å; A480-L483 PolarHBondContact O-N 2.92Å; T481-L483 VanDerWaalsContact C-N 3.34Å; T481-L483 PolarHBondContact O-N 3.24Å; L483-Q485 VanDerWaalsContact C-N 3.32Å; L483-Q485 PolarHBondContact O-N 3.33Å; L483-C486 WeakPolarHBondContact O-CB 3.31Å; L483-C486 PolarHBondContact O-N 2.89Å; L483-I487 WeakPolarHBondContact O-CD1 3.16Å; L483-I487 WeakPolarHBondContact O-CG1 3.09Å; L483-I487 PolarHBondContact O-N 2.75Å
484	M	90.9	Very high	84.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-39.8	175.3	-66.2	-63.9	-179.5	0	0	112.1	L465 A468 T469 A480 T481 V482 I487 I488 A506 N509 I510	L465-M484 HydrophobicContact CD1-CE 3.65Å; L465-M484 HydrophobicContact CD1-SD 3.51Å; L465-M484 VanDerWaalsContact CD1-SD 3.51Å; A468-M484 HydrophobicContact CB-CE 3.57Å; A468-M484 HydrophobicContact CB-CG 4.32Å; A468-M484 HydrophobicContact CB-SD 4.02Å; T469-M484 HydrophobicContact CG2-CE 4.18Å; A480-M484 VanDerWaalsContact O-CG 3.23Å; A480-M484 WeakPolarHBondContact O-CG 3.41Å; A480-M484 PolarHBondContact O-N 3.47Å; T481-M484 PolarHBondContact O-N 3.43Å; V482-M484 VanDerWaalsContact C-N 3.35Å; V482-M484 PolarHBondContact O-N 3.45Å; M484-I487 PolarHBondContact O-N 3Å; M484-I487 HydrophobicContact SD-CD1 4.13Å; M484-I488 WeakPolarHBondContact O-CG1 3.49Å; M484-I488 PolarHBondContact O-N 2.95Å; M484-A506 HydrophobicContact CB-CB 4.43Å; M484-A506 HydrophobicContact SD-CB 3.87Å; M484-N509 HydrophobicContact CE-CB 4.2Å; M484-N509 WeakPolarHBondContact CE-ND2 3.36Å; M484-I510 HydrophobicContact CB-CD1 4.05Å; M484-I510 HydrophobicContact CB-CG1 4.03Å
485	Q	90.8	Very high	84.2	Confident	102 Å²	102	50.9 Å²	50.9	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-44.9	173.8	-69.5	174.7	3.8	0	0	111.3	T481 V482 L483 I487 I488 S489 I510	T481-Q485 WeakPolarHBondContact O-CG 3.39Å; T481-Q485 PolarHBondContact O-N 3.39Å; V482-Q485 WeakPolarHBondContact O-CB 3.1Å; V482-Q485 PolarHBondContact O-N 3.15Å; L483-Q485 VanDerWaalsContact C-N 3.32Å; L483-Q485 PolarHBondContact O-N 3.33Å; Q485-I487 VanDerWaalsContact C-N 3.32Å; Q485-I487 PolarHBondContact O-N 2.89Å; Q485-I488 PolarHBondContact O-N 3.36Å; Q485-S489 PolarHBondContact O-N 3.15Å; Q485-S489 PolarHBondContact O-OG 2.79Å; Q485-I510 HydrophobicContact CG-CD1 4.17Å
486	C	89.4	Confident	84.1	Confident	73 Å²	73	50.7 Å²	50.7	49%	0.493	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175	-65	0	0	0	0	112.3	V482 L483 S489 A490	V482-C486 PolarHBondContact O-N 3.32Å; V482-C486 PolarHBondContact O-SG 3.3Å; V482-C486 VanDerWaalsContact O-SG 3.32Å; L483-C486 WeakPolarHBondContact O-CB 3.31Å; L483-C486 PolarHBondContact O-N 2.89Å; C486-S489 PolarHBondContact O-N 3.02Å; C486-A490 VanDerWaalsContact O-CB 3.32Å; C486-A490 WeakPolarHBondContact O-CB 3.4Å; C486-A490 PolarHBondContact O-N 2.81Å
487	I	88.3	Confident	83.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-46.8	176.9	-69.8	161.4	0	0	0	110.5	Q464 L465 A468 L483 M484 Q485 S489 A490 D491 I502	Q464-I487 HydrophobicContact CB-CD1 3.83Å; Q464-I487 HydrophobicContact CB-CG1 3.6Å; L465-I487 HydrophobicContact CB-CD1 4.14Å; L465-I487 HydrophobicContact CD1-CD1 4.41Å; A468-I487 HydrophobicContact CB-CD1 4.3Å; L483-I487 WeakPolarHBondContact O-CD1 3.16Å; L483-I487 WeakPolarHBondContact O-CG1 3.09Å; L483-I487 PolarHBondContact O-N 2.75Å; M484-I487 PolarHBondContact O-N 3Å; M484-I487 HydrophobicContact SD-CD1 4.13Å; Q485-I487 VanDerWaalsContact C-N 3.32Å; Q485-I487 PolarHBondContact O-N 2.89Å; I487-S489 VanDerWaalsContact C-N 3.34Å; I487-S489 PolarHBondContact O-N 2.89Å; I487-A490 PolarHBondContact O-N 3.38Å; I487-D491 VanDerWaalsContact O-CB 3.29Å; I487-D491 WeakPolarHBondContact O-CB 3.49Å; I487-D491 PolarHBondContact O-N 3.36Å; I487-I502 HydrophobicContact CG2-CG2 3.41Å; I487-I502 VanDerWaalsContact CG2-CG2 3.41Å
488	I	86.3	Confident	83.5	Confident	23 Å²	23	52.1 Å²	52.1	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-45	178.5	-68.5	163.5	0	0	0	110.4	M484 Q485 C492 L503 A506 F507 I510	M484-I488 WeakPolarHBondContact O-CG1 3.49Å; M484-I488 PolarHBondContact O-N 2.95Å; Q485-I488 PolarHBondContact O-N 3.36Å; I488-C492 VanDerWaalsContact O-CB 3.28Å; I488-C492 WeakPolarHBondContact O-CB 3.39Å; I488-C492 PolarHBondContact O-N 3.35Å; I488-C492 VanDerWaalsContact O-N 3.1Å; I488-C492 PolarHBondContact O-SG 3.46Å; I488-L503 HydrophobicContact CB-CD2 4.38Å; I488-L503 HydrophobicContact CG1-CD2 4.1Å; I488-L503 HydrophobicContact CG2-CD2 4.4Å; I488-A506 HydrophobicContact CD1-CB 4.08Å; I488-A506 HydrophobicContact CG1-CB 3.87Å; I488-F507 HydrophobicContact CD1-CD1 3.89Å; I488-F507 HydrophobicContact CD1-CD2 4.43Å; I488-F507 HydrophobicContact CD1-CE1 3.77Å; I488-F507 HydrophobicContact CD1-CE2 4.31Å; I488-F507 HydrophobicContact CD1-CG 4.22Å; I488-F507 HydrophobicContact CD1-CZ 3.98Å; I488-F507 HydrophobicContact CG1-CE2 4.33Å; I488-F507 HydrophobicContact CG1-CZ 4.28Å; I488-F507 HydrophobicContact CG2-CE1 4.37Å; I488-F507 HydrophobicContact CG2-CE2 4.24Å; I488-F507 HydrophobicContact CG2-CZ 3.73Å; I488-I510 HydrophobicContact CD1-CD1 3.33Å
489	S	86.6	Confident	83.2	Confident	75 Å²	75	48 Å²	48	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-43.9	177.4	-62.2	0	0	0	0	112.5	Q485 C486 I487 L493	Q485-S489 PolarHBondContact O-N 3.15Å; Q485-S489 PolarHBondContact O-OG 2.79Å; C486-S489 PolarHBondContact O-N 3.02Å; I487-S489 VanDerWaalsContact C-N 3.34Å; I487-S489 PolarHBondContact O-N 2.89Å; S489-L493 WeakPolarHBondContact O-CG 3.34Å; S489-L493 PolarHBondContact O-N 3.35Å
490	A	84.7	Confident	82.7	Confident	30 Å²	30	43.8 Å²	43.8	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-46.4	-179.5	0	0	0	0	0	112.2	F460 T461 C486 I487 C492 L493 E494	F460-A490 HydrophobicContact CE1-CB 4.37Å; T461-A490 HydrophobicContact CG2-CB 4.19Å; C486-A490 VanDerWaalsContact O-CB 3.32Å; C486-A490 WeakPolarHBondContact O-CB 3.4Å; C486-A490 PolarHBondContact O-N 2.81Å; I487-A490 PolarHBondContact O-N 3.38Å; A490-C492 VanDerWaalsContact C-N 3.35Å; A490-C492 PolarHBondContact O-N 2.73Å; A490-L493 PolarHBondContact O-N 3.09Å; A490-E494 PolarHBondContact O-N 3.3Å
491	D	83	Confident	82.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.5	-29.4	-176.9	-161.6	65.8	0	0	0	112.6	T461 I487 L493 E494 P495 C496 S499 L503	T461-D491 HydrophobicContact CG2-CB 3.84Å; I487-D491 VanDerWaalsContact O-CB 3.29Å; I487-D491 WeakPolarHBondContact O-CB 3.49Å; I487-D491 PolarHBondContact O-N 3.36Å; D491-L493 VanDerWaalsContact C-N 3.34Å; D491-E494 CarbonylContact O-C 3.5Å; D491-P495 WeakPolarHBondContact O-CA 3.34Å; D491-C496 PolarHBondContact OD1-N 2.9Å; D491-C496 PolarHBondContact OD1-SG 3.07Å; D491-S499 VanDerWaalsContact OD2-CA 3.3Å; D491-S499 WeakPolarHBondContact OD2-CA 3.09Å; D491-S499 WeakPolarHBondContact OD2-CB 3.26Å; D491-S499 PolarHBondContact OD2-OG 2.94Å; D491-L503 HydrophobicContact CB-CD2 4.12Å; D491-L503 WeakPolarHBondContact OD2-CD1 3.36Å; D491-L503 WeakPolarHBondContact OD2-CG 3.44Å
492	C	79.1	Confident	82.1	Confident	71 Å²	71	45.4 Å²	45.4	48%	0.48	26%	0.255	S	S	.	.	H	α-helix	trans	-70	-28.6	171.4	-74.5	0	0	0	0	113.2	I488 A490	I488-C492 VanDerWaalsContact O-CB 3.28Å; I488-C492 WeakPolarHBondContact O-CB 3.39Å; I488-C492 PolarHBondContact O-N 3.35Å; I488-C492 VanDerWaalsContact O-N 3.1Å; I488-C492 PolarHBondContact O-SG 3.46Å; A490-C492 VanDerWaalsContact C-N 3.35Å; A490-C492 PolarHBondContact O-N 2.73Å
493	L	79.8	Confident	81.8	Confident	147 Å²	147	41.4 Å²	41.4	77%	0.77	23%	0.23	S	C	*	.	H	α-helix	trans	-77.3	-47.2	175.1	-70.9	169.2	0	0	0	110.7	S489 A490 D491	S489-L493 WeakPolarHBondContact O-CG 3.34Å; S489-L493 PolarHBondContact O-N 3.35Å; A490-L493 PolarHBondContact O-N 3.09Å; D491-L493 VanDerWaalsContact C-N 3.34Å
494	E	77.2	Confident	81.4	Confident	112 Å²	112	40.2 Å²	40.2	52%	0.523	22%	0.224	S	C	.	.	S	Bend	trans	-138.2	93.1	-177.1	-66.3	-177.7	145.4	0	0	109.9	Q457 A490 D491 C496	Q457-E494 PolarHBondContact NE2-OE1 2.91Å; Q457-E494 PolarHBondContact NE2-OE2 3.05Å; A490-E494 PolarHBondContact O-N 3.3Å; D491-E494 CarbonylContact O-C 3.5Å; E494-C496 PolarHBondContact O-N 2.97Å
495	P	74.9	Confident	81.1	Confident	21 Å²	21	43 Å²	43	14%	0.136	24%	0.239	C	C	.	.			trans	-69	126.3	-171.7	22.2	-30.5	0	0	0	112	K240 R244 D491	K240-P495 HydrophobicContact CB-CB 4.08Å; K240-P495 HydrophobicContact CB-CG 4.33Å; K240-P495 HydrophobicContact CD-CB 4.38Å; K240-P495 HydrophobicContact CD-CG 4.24Å; K240-P495 WeakPolarHBondContact CD-O 3.23Å; K240-P495 VanDerWaalsContact CE-O 3.27Å; K240-P495 WeakPolarHBondContact CE-O 3.36Å; K240-P495 HydrophobicContact CG-CB 4.09Å; K240-P495 HydrophobicContact CG-CG 4.43Å; R244-P495 HydrophobicContact CG-CG 4.24Å; D491-P495 WeakPolarHBondContact O-CA 3.34Å
496	C	76.5	Confident	80.9	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.02	22%	0.216	C	C	.	.			trans	-72.8	165.3	172.9	73.7	0	0	0	0	111.5	K240 A458 T461 D491 E494 H498 S499 I502	K240-C496 VanDerWaalsContact CG-O 3.27Å; K240-C496 WeakPolarHBondContact CG-O 3.45Å; A458-C496 WeakPolarHBondContact O-CB 3.4Å; T461-C496 VanDerWaalsContact OG1-CB 3.24Å; T461-C496 WeakPolarHBondContact OG1-CB 3.38Å; T461-C496 PolarHBondContact OG1-SG 3.27Å; D491-C496 PolarHBondContact OD1-N 2.9Å; D491-C496 PolarHBondContact OD1-SG 3.07Å; E494-C496 PolarHBondContact O-N 2.97Å; C496-H498 PolarHBondContact O-N 3.02Å; C496-H498 VanDerWaalsContact SG-C 3.58Å; C496-H498 PolarHBondContact SG-N 2.87Å; C496-S499 WeakPolarHBondContact O-CB 3.35Å; C496-S499 PolarHBondContact O-N 3.47Å; C496-S499 VanDerWaalsContact O-N 3.13Å; C496-S499 VanDerWaalsContact SG-CA 3.58Å; C496-S499 PolarHBondContact SG-N 3.14Å; C496-I502 WeakPolarHBondContact SG-CD1 3.21Å
497	R	71.8	Confident	80.9	Confident	41 Å²	41	36.4 Å²	36.4	16%	0.155	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.3	178.9	-68	-176.8	177.8	165.6	0.7	114.3	G239 S335 D421	G239-R497 CarbonylContact C-O 3.55Å; G239-R497 WeakPolarHBondContact CA-O 3.42Å; G239-R497 CarbonylContact O-C 3.26Å; S335-R497 PolarHBondContact O-NH2 3.47Å; S335-R497 PolarHBondContact OG-NH2 2.99Å; D421-R497 IonicContact OD2-NH1 3.85Å
498	H	74.2	Confident	80.8	Confident	82 Å²	82	36.5 Å²	36.5	38%	0.38	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	20.7	-178.6	-53.7	-51.3	0	0	0	112.7	C496 D500 T501 I502	C496-H498 PolarHBondContact O-N 3.02Å; C496-H498 VanDerWaalsContact SG-C 3.58Å; C496-H498 PolarHBondContact SG-N 2.87Å; H498-D500 PolarHBondContact O-N 2.83Å; H498-D500 VanDerWaalsContact O-N 3.15Å; H498-T501 PolarHBondContact O-N 2.91Å; H498-T501 PolarHBondContact O-OG1 2.96Å; H498-I502 HydrophobicContact CB-CD1 4.31Å; H498-I502 HydrophobicContact CB-CG1 4.44Å; H498-I502 WeakPolarHBondContact O-CG1 3.49Å; H498-I502 PolarHBondContact O-N 3.48Å; H498-I502 VanDerWaalsContact O-N 3.09Å
499	S	76.6	Confident	80.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-46.7	-46.3	-175.2	175.3	0	0	0	0	111.9	G239 G243 D491 C496 T501 I502 L503	G239-S499 WeakPolarHBondContact O-CB 3.4Å; G239-S499 PolarHBondContact O-N 3.4Å; G243-S499 PolarHBondContact N-OG 2.88Å; D491-S499 VanDerWaalsContact OD2-CA 3.3Å; D491-S499 WeakPolarHBondContact OD2-CA 3.09Å; D491-S499 WeakPolarHBondContact OD2-CB 3.26Å; D491-S499 PolarHBondContact OD2-OG 2.94Å; C496-S499 WeakPolarHBondContact O-CB 3.35Å; C496-S499 PolarHBondContact O-N 3.47Å; C496-S499 VanDerWaalsContact O-N 3.13Å; C496-S499 VanDerWaalsContact SG-CA 3.58Å; C496-S499 PolarHBondContact SG-N 3.14Å; S499-T501 VanDerWaalsContact C-N 3.31Å; S499-T501 PolarHBondContact O-N 3.45Å; S499-I502 PolarHBondContact O-N 3.1Å; S499-L503 WeakPolarHBondContact O-CB 3.44Å; S499-L503 WeakPolarHBondContact O-CG 3.19Å; S499-L503 PolarHBondContact O-N 3.37Å; S499-L503 WeakPolarHBondContact OG-CD1 3.45Å
500	D	74.3	Confident	81	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-52.8	-46.9	179.8	-58.2	4.5	0	0	0	112.4	G239 I241 G242 H498 A504 F537	G239-D500 PolarHBondContact O-N 3.47Å; I241-D500 PolarHBondContact N-OD1 3.33Å; G242-D500 WeakPolarHBondContact CA-OD1 3.32Å; G242-D500 PolarHBondContact N-OD1 2.86Å; H498-D500 PolarHBondContact O-N 2.83Å; H498-D500 VanDerWaalsContact O-N 3.15Å; D500-A504 WeakPolarHBondContact O-CB 3.38Å; D500-A504 PolarHBondContact O-N 2.83Å; D500-F537 HydrophobicContact CB-CD1 3.42Å; D500-F537 VanDerWaalsContact CB-CD1 3.42Å; D500-F537 HydrophobicContact CB-CE1 3.85Å; D500-F537 HydrophobicContact CB-CG 4.02Å; D500-F537 WeakPolarHBondContact OD1-CE1 3.43Å; D500-F537 VanDerWaalsContact OD2-CD1 3.22Å; D500-F537 WeakPolarHBondContact OD2-CD1 3.2Å
501	T	76.7	Confident	81.2	Confident	51 Å²	51	32.2 Å²	32.2	31%	0.313	17%	0.169	S	C	.	.	H	α-helix	trans	-77.8	-35	-178.5	59.7	0	0	0	0	112.7	H498 S499 N505 N539	H498-T501 PolarHBondContact O-N 2.91Å; H498-T501 PolarHBondContact O-OG1 2.96Å; S499-T501 VanDerWaalsContact C-N 3.31Å; S499-T501 PolarHBondContact O-N 3.45Å; T501-N505 WeakPolarHBondContact O-CB 3.42Å; T501-N505 PolarHBondContact O-N 2.7Å; T501-N505 PolarHBondContact O-ND2 3.13Å; T501-N505 VanDerWaalsContact O-ND2 3.1Å; T501-N539 HydrophobicContact CG2-CB 4.31Å; T501-N539 VanDerWaalsContact CG2-ND2 3.35Å; T501-N539 WeakPolarHBondContact CG2-ND2 3.38Å
502	I	82	Confident	81.2	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-49.8	-178.8	-64.4	175.7	0	0	0	109.9	T461 V462 L465 I487 C496 H498 S499 A504 N505 A506	T461-I502 WeakPolarHBondContact OG1-CD1 3.31Å; V462-I502 HydrophobicContact CB-CD1 4.15Å; V462-I502 HydrophobicContact CG2-CD1 3.37Å; V462-I502 HydrophobicContact CG2-CG1 4.36Å; L465-I502 HydrophobicContact CD2-CB 4.49Å; L465-I502 HydrophobicContact CD2-CG1 4.3Å; L465-I502 HydrophobicContact CD2-CG2 4.32Å; I487-I502 HydrophobicContact CG2-CG2 3.41Å; I487-I502 VanDerWaalsContact CG2-CG2 3.41Å; C496-I502 WeakPolarHBondContact SG-CD1 3.21Å; H498-I502 HydrophobicContact CB-CD1 4.31Å; H498-I502 HydrophobicContact CB-CG1 4.44Å; H498-I502 WeakPolarHBondContact O-CG1 3.49Å; H498-I502 PolarHBondContact O-N 3.48Å; H498-I502 VanDerWaalsContact O-N 3.09Å; S499-I502 PolarHBondContact O-N 3.1Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; I502-N505 PolarHBondContact O-N 3.01Å; I502-A506 WeakPolarHBondContact O-CB 3.24Å; I502-A506 PolarHBondContact O-N 2.94Å
503	L	84.4	Confident	81.4	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-43.4	177	-68.6	176	0	0	0	110.7	I488 D491 S499 N505 A506 F507	I488-L503 HydrophobicContact CB-CD2 4.38Å; I488-L503 HydrophobicContact CG1-CD2 4.1Å; I488-L503 HydrophobicContact CG2-CD2 4.4Å; D491-L503 HydrophobicContact CB-CD2 4.12Å; D491-L503 WeakPolarHBondContact OD2-CD1 3.36Å; D491-L503 WeakPolarHBondContact OD2-CG 3.44Å; S499-L503 WeakPolarHBondContact O-CB 3.44Å; S499-L503 WeakPolarHBondContact O-CG 3.19Å; S499-L503 PolarHBondContact O-N 3.37Å; S499-L503 WeakPolarHBondContact OG-CD1 3.45Å; L503-N505 VanDerWaalsContact C-N 3.35Å; L503-N505 PolarHBondContact O-N 3.46Å; L503-A506 PolarHBondContact O-N 3.25Å; L503-F507 HydrophobicContact CB-CD2 4.29Å; L503-F507 HydrophobicContact CB-CE2 4.39Å; L503-F507 HydrophobicContact CD2-CE2 4.33Å; L503-F507 WeakPolarHBondContact O-CB 3.41Å; L503-F507 WeakPolarHBondContact O-CD2 3.34Å; L503-F507 PolarHBondContact O-N 3.36Å
504	A	82.5	Confident	81.6	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-44.2	176.4	0	0	0	0	0	112.4	D500 I502 A508 P542 L543	D500-A504 WeakPolarHBondContact O-CB 3.38Å; D500-A504 PolarHBondContact O-N 2.83Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; A504-A508 WeakPolarHBondContact O-CB 3.13Å; A504-A508 PolarHBondContact O-N 3.48Å; A504-P542 HydrophobicContact CB-CG 4.43Å; A504-L543 HydrophobicContact CB-CD1 4.21Å; A504-L543 HydrophobicContact CB-CG 4.27Å
505	N	84.3	Confident	81.9	Confident	60 Å²	60	23.7 Å²	23.7	32%	0.321	12%	0.117	S	C	.	.	H	α-helix	trans	-69.4	-42	176.9	-77.1	-37.8	0	0	0	112.7	L465 T501 I502 L503 A508 N509 P542	L465-N505 HydrophobicContact CD1-CB 4.28Å; L465-N505 HydrophobicContact CD2-CB 4.08Å; T501-N505 WeakPolarHBondContact O-CB 3.42Å; T501-N505 PolarHBondContact O-N 2.7Å; T501-N505 PolarHBondContact O-ND2 3.13Å; T501-N505 VanDerWaalsContact O-ND2 3.1Å; I502-N505 PolarHBondContact O-N 3.01Å; L503-N505 VanDerWaalsContact C-N 3.35Å; L503-N505 PolarHBondContact O-N 3.46Å; N505-A508 PolarHBondContact O-N 3.37Å; N505-N509 PolarHBondContact O-N 3.17Å; N505-N509 PolarHBondContact O-ND2 3.22Å; N505-P542 WeakPolarHBondContact OD1-CB 3.26Å; N505-P542 VanDerWaalsContact OD1-CG 3.3Å; N505-P542 WeakPolarHBondContact OD1-CG 3.43Å
506	A	86.7	Confident	81.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-48.4	179.5	0	0	0	0	0	111.4	M484 I488 I502 L503 N509 I510	M484-A506 HydrophobicContact CB-CB 4.43Å; M484-A506 HydrophobicContact SD-CB 3.87Å; I488-A506 HydrophobicContact CD1-CB 4.08Å; I488-A506 HydrophobicContact CG1-CB 3.87Å; I502-A506 WeakPolarHBondContact O-CB 3.24Å; I502-A506 PolarHBondContact O-N 2.94Å; L503-A506 PolarHBondContact O-N 3.25Å; A506-N509 PolarHBondContact O-N 3.33Å; A506-I510 WeakPolarHBondContact O-CG1 3.49Å; A506-I510 PolarHBondContact O-N 2.91Å
507	F	89.5	Confident	81.9	Confident	37 Å²	37	26.3 Å²	26.3	16%	0.162	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-39.7	174.9	-79.1	-63.8	0	0	0	112.2	I488 L503 N509 I510 I511 C530 L534 L543	I488-F507 HydrophobicContact CD1-CD1 3.89Å; I488-F507 HydrophobicContact CD1-CD2 4.43Å; I488-F507 HydrophobicContact CD1-CE1 3.77Å; I488-F507 HydrophobicContact CD1-CE2 4.31Å; I488-F507 HydrophobicContact CD1-CG 4.22Å; I488-F507 HydrophobicContact CD1-CZ 3.98Å; I488-F507 HydrophobicContact CG1-CE2 4.33Å; I488-F507 HydrophobicContact CG1-CZ 4.28Å; I488-F507 HydrophobicContact CG2-CE1 4.37Å; I488-F507 HydrophobicContact CG2-CE2 4.24Å; I488-F507 HydrophobicContact CG2-CZ 3.73Å; L503-F507 HydrophobicContact CB-CD2 4.29Å; L503-F507 HydrophobicContact CB-CE2 4.39Å; L503-F507 HydrophobicContact CD2-CE2 4.33Å; L503-F507 WeakPolarHBondContact O-CB 3.41Å; L503-F507 WeakPolarHBondContact O-CD2 3.34Å; L503-F507 PolarHBondContact O-N 3.36Å; F507-N509 VanDerWaalsContact C-N 3.32Å; F507-N509 PolarHBondContact O-N 3.16Å; F507-I510 PolarHBondContact O-N 3.24Å; F507-I511 WeakPolarHBondContact O-CB 3.46Å; F507-I511 WeakPolarHBondContact O-CD1 3.2Å; F507-I511 WeakPolarHBondContact O-CG1 3.2Å; F507-I511 PolarHBondContact O-N 3.17Å; F507-C530 WeakPolarHBondContact CD1-SG 3.17Å; F507-L534 HydrophobicContact CD2-CD1 3.73Å; F507-L534 HydrophobicContact CE2-CD1 4.11Å; F507-L543 HydrophobicContact CB-CD2 3.73Å
508	A	86.3	Confident	82	Confident	4 Å²	4	25 Å²	25	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-43	175.9	0	0	0	0	0	112	A504 N505 I511 K512 P542 L543 A546	A504-A508 WeakPolarHBondContact O-CB 3.13Å; A504-A508 PolarHBondContact O-N 3.48Å; N505-A508 PolarHBondContact O-N 3.37Å; A508-I511 PolarHBondContact O-N 3.49Å; A508-K512 WeakPolarHBondContact O-CG 3.35Å; A508-K512 PolarHBondContact O-N 2.92Å; A508-K512 VanDerWaalsContact O-N 3.13Å; A508-P542 HydrophobicContact CB-CB 3.94Å; A508-P542 WeakPolarHBondContact CB-O 3.43Å; A508-L543 HydrophobicContact CB-CD2 4.42Å; A508-A546 HydrophobicContact CB-CB 3.93Å
509	N	86.3	Confident	82.4	Confident	27 Å²	27	23.7 Å²	23.7	14%	0.144	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-44.2	176.3	-74.1	-32.8	0	0	0	111.9	M484 N505 A506 F507 I511 K512 E513	M484-N509 HydrophobicContact CE-CB 4.2Å; M484-N509 WeakPolarHBondContact CE-ND2 3.36Å; N505-N509 PolarHBondContact O-N 3.17Å; N505-N509 PolarHBondContact O-ND2 3.22Å; A506-N509 PolarHBondContact O-N 3.33Å; F507-N509 VanDerWaalsContact C-N 3.32Å; F507-N509 PolarHBondContact O-N 3.16Å; N509-I511 VanDerWaalsContact C-N 3.31Å; N509-I511 PolarHBondContact O-N 2.9Å; N509-K512 PolarHBondContact O-N 2.88Å; N509-K512 VanDerWaalsContact O-N 3.17Å; N509-E513 WeakPolarHBondContact O-CG 3.44Å; N509-E513 PolarHBondContact O-N 2.92Å
510	I	89.5	Confident	82.7	Confident	11 Å²	11	24.4 Å²	24.4	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176	-70.2	174.8	0	0	0	111.8	M484 Q485 I488 A506 F507 K512 E513 F514 L526	M484-I510 HydrophobicContact CB-CD1 4.05Å; M484-I510 HydrophobicContact CB-CG1 4.03Å; Q485-I510 HydrophobicContact CG-CD1 4.17Å; I488-I510 HydrophobicContact CD1-CD1 3.33Å; A506-I510 WeakPolarHBondContact O-CG1 3.49Å; A506-I510 PolarHBondContact O-N 2.91Å; F507-I510 PolarHBondContact O-N 3.24Å; I510-K512 VanDerWaalsContact C-N 3.34Å; I510-K512 PolarHBondContact O-N 3.39Å; I510-E513 PolarHBondContact O-N 3.03Å; I510-F514 HydrophobicContact CG2-CD2 3.6Å; I510-F514 HydrophobicContact CG2-CE2 3.38Å; I510-F514 VanDerWaalsContact O-CD2 3.24Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.67Å; I510-L526 HydrophobicContact CG2-CD2 3.98Å
511	I	88.8	Confident	83.2	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.3	-72.4	163.3	0	0	0	110.7	F507 A508 N509 E513 F514 N515 A523 L526 L543 A546 V550	F507-I511 WeakPolarHBondContact O-CB 3.46Å; F507-I511 WeakPolarHBondContact O-CD1 3.2Å; F507-I511 WeakPolarHBondContact O-CG1 3.2Å; F507-I511 PolarHBondContact O-N 3.17Å; A508-I511 PolarHBondContact O-N 3.49Å; N509-I511 VanDerWaalsContact C-N 3.31Å; N509-I511 PolarHBondContact O-N 2.9Å; I511-E513 VanDerWaalsContact C-N 3.34Å; I511-F514 PolarHBondContact O-N 3.08Å; I511-N515 PolarHBondContact O-N 3.04Å; I511-N515 VanDerWaalsContact O-N 3.16Å; I511-A523 HydrophobicContact CG2-CB 4.24Å; I511-L526 HydrophobicContact CG1-CB 4.45Å; I511-L526 HydrophobicContact CG1-CD2 3.88Å; I511-L526 HydrophobicContact CG1-CG 4.08Å; I511-L543 HydrophobicContact CD1-CD2 3.98Å; I511-A546 HydrophobicContact CG2-CB 4.24Å; I511-V550 HydrophobicContact CG2-CG2 3.93Å
512	K	84.7	Confident	83.7	Confident	50 Å²	50	31.1 Å²	31.1	22%	0.217	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-39.6	176	-68.5	179.8	-169.6	-154.7	0	111.8	A508 N509 I510 N515 S516 A546 E549	A508-K512 WeakPolarHBondContact O-CG 3.35Å; A508-K512 PolarHBondContact O-N 2.92Å; A508-K512 VanDerWaalsContact O-N 3.13Å; N509-K512 PolarHBondContact O-N 2.88Å; N509-K512 VanDerWaalsContact O-N 3.17Å; I510-K512 VanDerWaalsContact C-N 3.34Å; I510-K512 PolarHBondContact O-N 3.39Å; K512-N515 WeakPolarHBondContact O-CB 3.48Å; K512-N515 PolarHBondContact O-N 2.84Å; K512-S516 PolarHBondContact O-N 3.24Å; K512-A546 HydrophobicContact CG-CB 4.09Å; K512-E549 WeakPolarHBondContact CE-OE2 3.26Å; K512-E549 VanDerWaalsContact NZ-CD 3.29Å; K512-E549 IonicContact NZ-OE1 3.74Å; K512-E549 PolarHBondContact NZ-OE1 3.5Å; K512-E549 IonicContact NZ-OE2 3.35Å; K512-E549 PolarHBondContact NZ-OE2 3.19Å
513	E	82.6	Confident	84	Confident	23 Å²	23	31 Å²	31	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-38	176.6	-66.1	-60.8	157.7	0	0	112.6	N509 I510 I511 N515 S516 M517	N509-E513 WeakPolarHBondContact O-CG 3.44Å; N509-E513 PolarHBondContact O-N 2.92Å; I510-E513 PolarHBondContact O-N 3.03Å; I511-E513 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 3.04Å; E513-S516 PolarHBondContact O-N 2.99Å; E513-S516 VanDerWaalsContact O-N 3.17Å; E513-S516 PolarHBondContact O-OG 3.15Å; E513-S516 PolarHBondContact OE2-OG 3.37Å; E513-S516 VanDerWaalsContact OE2-OG 3.07Å; E513-M517 WeakPolarHBondContact O-CG 2.71Å; E513-M517 PolarHBondContact O-N 3.08Å
514	F	84.6	Confident	84.2	Confident	71 Å²	71	32.5 Å²	32.5	31%	0.311	17%	0.172	S	C	.	.	H	α-helix	trans	-61.1	-36.4	171.8	-84.3	-63.9	0	0	0	112.4	I510 I511 M517 G518 S519 A523 L526	I510-F514 HydrophobicContact CG2-CD2 3.6Å; I510-F514 HydrophobicContact CG2-CE2 3.38Å; I510-F514 VanDerWaalsContact O-CD2 3.24Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.67Å; I511-F514 PolarHBondContact O-N 3.08Å; F514-M517 PolarHBondContact O-N 2.92Å; F514-G518 PolarHBondContact O-N 3.31Å; F514-S519 PolarHBondContact O-N 3.07Å; F514-A523 HydrophobicContact CB-CB 3.87Å; F514-L526 HydrophobicContact CD2-CD2 3.99Å; F514-L526 HydrophobicContact CE2-CD2 3.92Å
515	N	83.1	Confident	84.6	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.032	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-35.1	174.9	174	49.9	0	0	0	112.8	I511 K512 E513 M517 G518 A523 V550 E553 R557	I511-N515 PolarHBondContact O-N 3.04Å; I511-N515 VanDerWaalsContact O-N 3.16Å; K512-N515 WeakPolarHBondContact O-CB 3.48Å; K512-N515 PolarHBondContact O-N 2.84Å; E513-N515 PolarHBondContact O-N 3.04Å; N515-M517 VanDerWaalsContact C-N 3.3Å; N515-G518 PolarHBondContact O-N 3.18Å; N515-A523 HydrophobicContact CB-CB 4.47Å; N515-V550 HydrophobicContact CB-CB 4.34Å; N515-V550 HydrophobicContact CB-CG1 4Å; N515-V550 HydrophobicContact CB-CG2 3.57Å; N515-E553 PolarHBondContact ND2-OE2 3.41Å; N515-R557 PolarHBondContact O-NH2 3.02Å; N515-R557 PolarHBondContact OD1-NH1 3.38Å
516	S	75.5	Confident	84.8	Confident	14 Å²	14	36.7 Å²	36.7	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-33.1	173.9	91.5	0	0	0	0	111.8	K512 E513 G518 D785 Y826	K512-S516 PolarHBondContact O-N 3.24Å; E513-S516 PolarHBondContact O-N 2.99Å; E513-S516 VanDerWaalsContact O-N 3.17Å; E513-S516 PolarHBondContact O-OG 3.15Å; E513-S516 PolarHBondContact OE2-OG 3.37Å; E513-S516 VanDerWaalsContact OE2-OG 3.07Å; S516-G518 VanDerWaalsContact C-N 3.27Å; S516-G518 PolarHBondContact O-N 2.85Å; S516-D785 WeakPolarHBondContact OG-CB 3.12Å; S516-Y826 PolarHBondContact O-OH 3.16Å
517	M	75.3	Confident	84.9	Confident	65 Å²	65	36.8 Å²	36.8	32%	0.32	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.3	170.7	-65.9	-175.5	-171	0	0	113.8	E513 F514 N515 Q786	E513-M517 WeakPolarHBondContact O-CG 2.71Å; E513-M517 PolarHBondContact O-N 3.08Å; F514-M517 PolarHBondContact O-N 2.92Å; N515-M517 VanDerWaalsContact C-N 3.3Å; M517-Q786 HydrophobicContact CG-CG 4.46Å; M517-Q786 PolarHBondContact O-OE1 2.52Å
518	G	73.6	Confident	84.7	Confident	15 Å²	15	42 Å²	42	16%	0.155	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	7	179.6	0	0	0	0	0	116.2	F514 N515 S516 I520	F514-G518 PolarHBondContact O-N 3.31Å; N515-G518 PolarHBondContact O-N 3.18Å; S516-G518 VanDerWaalsContact C-N 3.27Å; S516-G518 PolarHBondContact O-N 2.85Å; G518-I520 PolarHBondContact O-N 3.5Å
519	S	82.9	Confident	84.7	Confident	53 Å²	53	46.5 Å²	46.5	37%	0.371	23%	0.234	S	C	.	.			trans	-86.9	57.7	177.3	-60.1	0	0	0	0	111.5	F514 E521 T522 A523	F514-S519 PolarHBondContact O-N 3.07Å; S519-E521 VanDerWaalsContact C-N 3.34Å; S519-E521 PolarHBondContact O-N 2.91Å; S519-T522 WeakPolarHBondContact CB-OG1 2.97Å; S519-T522 PolarHBondContact O-N 2.92Å; S519-T522 VanDerWaalsContact O-N 3.08Å; S519-T522 PolarHBondContact O-OG1 2.95Å; S519-A523 PolarHBondContact O-N 3.34Å
520	I	83	Confident	84.6	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-43	-171.6	-55.8	170.3	0	0	0	111.9	G518 T522 A523 L524 V550 Q554 L830	G518-I520 PolarHBondContact O-N 3.5Å; I520-T522 VanDerWaalsContact C-N 3.28Å; I520-T522 PolarHBondContact O-N 3.38Å; I520-A523 WeakPolarHBondContact O-CB 3.1Å; I520-A523 PolarHBondContact O-N 3.09Å; I520-A523 VanDerWaalsContact O-N 3.17Å; I520-L524 HydrophobicContact CG2-CD1 4.05Å; I520-L524 HydrophobicContact CG2-CG 4.33Å; I520-L524 WeakPolarHBondContact O-CG 3.2Å; I520-L524 PolarHBondContact O-N 3.5Å; I520-V550 HydrophobicContact CG2-CG1 4.03Å; I520-Q554 HydrophobicContact CD1-CB 4.27Å; I520-Q554 HydrophobicContact CD1-CG 4.09Å; I520-Q554 HydrophobicContact CG2-CB 4.38Å; I520-Q554 HydrophobicContact CG2-CG 4.4Å; I520-L830 HydrophobicContact CD1-CD2 4.5Å
521	E	84.9	Confident	84.1	Confident	129 Å²	129	49.7 Å²	49.7	60%	0.603	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-38.9	179.4	-168.9	-174.2	174.8	0	0	111.6	S519 K525	S519-E521 VanDerWaalsContact C-N 3.34Å; S519-E521 PolarHBondContact O-N 2.91Å; E521-K525 HydrophobicContact CG-CD 4.23Å; E521-K525 WeakPolarHBondContact O-CB 3.29Å; E521-K525 VanDerWaalsContact O-CG 3.25Å; E521-K525 WeakPolarHBondContact O-CG 3.37Å; E521-K525 PolarHBondContact O-N 2.92Å; E521-K525 WeakPolarHBondContact OE1-CE 3.33Å; E521-K525 IonicContact OE1-NZ 3.06Å; E521-K525 PolarHBondContact OE1-NZ 3.18Å
522	T	88.4	Confident	83.4	Confident	65 Å²	65	54 Å²	54	40%	0.399	27%	0.274	S	S	.	.	H	α-helix	trans	-69.8	-39.6	176.3	68.9	0	0	0	0	111.6	S519 I520 L524 K525 L526	S519-T522 WeakPolarHBondContact CB-OG1 2.97Å; S519-T522 PolarHBondContact O-N 2.92Å; S519-T522 VanDerWaalsContact O-N 3.08Å; S519-T522 PolarHBondContact O-OG1 2.95Å; I520-T522 VanDerWaalsContact C-N 3.28Å; I520-T522 PolarHBondContact O-N 3.38Å; T522-L524 PolarHBondContact O-N 3.45Å; T522-K525 PolarHBondContact O-N 3.25Å; T522-L526 WeakPolarHBondContact O-CB 3.36Å; T522-L526 PolarHBondContact O-N 3.15Å
523	A	87.8	Confident	82.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176.8	0	0	0	0	0	111.3	I511 F514 N515 S519 I520 S527 V550	I511-A523 HydrophobicContact CG2-CB 4.24Å; F514-A523 HydrophobicContact CB-CB 3.87Å; N515-A523 HydrophobicContact CB-CB 4.47Å; S519-A523 PolarHBondContact O-N 3.34Å; I520-A523 WeakPolarHBondContact O-CB 3.1Å; I520-A523 PolarHBondContact O-N 3.09Å; I520-A523 VanDerWaalsContact O-N 3.17Å; A523-S527 WeakPolarHBondContact O-CB 3.25Å; A523-S527 PolarHBondContact O-N 2.82Å; A523-V550 HydrophobicContact CB-CG1 4.19Å
524	L	88.2	Confident	82.3	Confident	34 Å²	34	54.7 Å²	54.7	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-71.7	-38.7	178.1	-65.5	177.5	0	0	0	112.7	I520 T522 S527 K528 V550 E551	I520-L524 HydrophobicContact CG2-CD1 4.05Å; I520-L524 HydrophobicContact CG2-CG 4.33Å; I520-L524 WeakPolarHBondContact O-CG 3.2Å; I520-L524 PolarHBondContact O-N 3.5Å; T522-L524 PolarHBondContact O-N 3.45Å; L524-S527 PolarHBondContact O-N 2.99Å; L524-K528 WeakPolarHBondContact O-CG 3.45Å; L524-K528 PolarHBondContact O-N 2.81Å; L524-V550 HydrophobicContact CD2-CB 4.44Å; L524-V550 HydrophobicContact CD2-CG1 3.95Å; L524-V550 HydrophobicContact CG-CG1 4.23Å; L524-E551 HydrophobicContact CD2-CG 3.69Å
525	K	90.9	Very high	80.8	Confident	111 Å²	111	54.5 Å²	54.5	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-45.2	172.9	-78	175.6	-177.1	171.2	0	111.1	E521 T522 K528 I529	E521-K525 HydrophobicContact CG-CD 4.23Å; E521-K525 WeakPolarHBondContact O-CB 3.29Å; E521-K525 VanDerWaalsContact O-CG 3.25Å; E521-K525 WeakPolarHBondContact O-CG 3.37Å; E521-K525 PolarHBondContact O-N 2.92Å; E521-K525 WeakPolarHBondContact OE1-CE 3.33Å; E521-K525 IonicContact OE1-NZ 3.06Å; E521-K525 PolarHBondContact OE1-NZ 3.18Å; T522-K525 PolarHBondContact O-N 3.25Å; K525-K528 PolarHBondContact O-N 3.32Å; K525-I529 WeakPolarHBondContact O-CG1 3.32Å; K525-I529 PolarHBondContact O-N 3.12Å
526	L	89.3	Confident	79.7	Confident	39 Å²	39	59.6 Å²	59.6	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-46.6	176.1	-178.2	61	0	0	0	110.6	I510 I511 F514 T522 K528 I529 C530	I510-L526 HydrophobicContact CG2-CD2 3.98Å; I511-L526 HydrophobicContact CG1-CB 4.45Å; I511-L526 HydrophobicContact CG1-CD2 3.88Å; I511-L526 HydrophobicContact CG1-CG 4.08Å; F514-L526 HydrophobicContact CD2-CD2 3.99Å; F514-L526 HydrophobicContact CE2-CD2 3.92Å; T522-L526 WeakPolarHBondContact O-CB 3.36Å; T522-L526 PolarHBondContact O-N 3.15Å; L526-K528 VanDerWaalsContact C-N 3.31Å; L526-K528 PolarHBondContact O-N 3.47Å; L526-I529 PolarHBondContact O-N 2.7Å; L526-C530 VanDerWaalsContact O-CB 3.29Å; L526-C530 WeakPolarHBondContact O-CB 3.09Å; L526-C530 PolarHBondContact O-N 3.26Å; L526-C530 PolarHBondContact O-SG 3.08Å
527	S	87.3	Confident	78.9	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-54.1	-44.9	173.5	175.7	0	0	0	0	112	A523 L524 R531 S547	A523-S527 WeakPolarHBondContact O-CB 3.25Å; A523-S527 PolarHBondContact O-N 2.82Å; L524-S527 PolarHBondContact O-N 2.99Å; S527-R531 WeakPolarHBondContact O-CB 3.32Å; S527-R531 WeakPolarHBondContact O-CG 3.34Å; S527-R531 PolarHBondContact O-N 3.04Å; S527-S547 VanDerWaalsContact OG-CB 3.28Å; S527-S547 WeakPolarHBondContact OG-CB 3.34Å; S527-S547 PolarHBondContact OG-OG 3.03Å
528	K	86.6	Confident	78	Confident	148 Å²	148	58.4 Å²	58.4	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-40.8	177.7	-72.6	176.3	-175.3	-179.6	0	113.1	L524 K525 L526 R531 S532	L524-K528 WeakPolarHBondContact O-CG 3.45Å; L524-K528 PolarHBondContact O-N 2.81Å; K525-K528 PolarHBondContact O-N 3.32Å; L526-K528 VanDerWaalsContact C-N 3.31Å; L526-K528 PolarHBondContact O-N 3.47Å; K528-R531 PolarHBondContact O-N 3.26Å; K528-S532 PolarHBondContact O-N 2.99Å
529	I	85.8	Confident	77.5	Confident	98 Å²	98	58.6 Å²	58.6	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-48.9	177.2	-66.9	162.6	0	0	0	110.3	K525 L526 R531 S532 T533	K525-I529 WeakPolarHBondContact O-CG1 3.32Å; K525-I529 PolarHBondContact O-N 3.12Å; L526-I529 PolarHBondContact O-N 2.7Å; I529-R531 VanDerWaalsContact C-N 3.25Å; I529-R531 PolarHBondContact O-N 3.37Å; I529-S532 PolarHBondContact O-N 3.45Å; I529-S532 VanDerWaalsContact O-N 3.1Å; I529-S532 PolarHBondContact O-OG 3.14Å; I529-T533 HydrophobicContact CG2-CG2 4.36Å; I529-T533 PolarHBondContact O-N 2.88Å; I529-T533 PolarHBondContact O-OG1 3.36Å
530	C	83.1	Confident	76.8	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-56	-44.8	174.1	-71.9	0	0	0	0	109.6	F507 L526 T533 L534 L543	F507-C530 WeakPolarHBondContact CD1-SG 3.17Å; L526-C530 VanDerWaalsContact O-CB 3.29Å; L526-C530 WeakPolarHBondContact O-CB 3.09Å; L526-C530 PolarHBondContact O-N 3.26Å; L526-C530 PolarHBondContact O-SG 3.08Å; C530-T533 PolarHBondContact O-OG1 3.46Å; C530-L534 HydrophobicContact CB-CD1 3.97Å; C530-L534 VanDerWaalsContact O-CA 3.27Å; C530-L534 WeakPolarHBondContact O-CA 3.4Å; C530-L534 WeakPolarHBondContact O-CB 3.41Å; C530-L534 WeakPolarHBondContact O-CG 3.25Å; C530-L534 PolarHBondContact O-N 2.96Å; C530-L543 HydrophobicContact CB-CD2 4.33Å
531	R	79.1	Confident	76.3	Confident	101 Å²	101	60.8 Å²	60.8	38%	0.381	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-54.3	172.7	-73.2	173	69.3	-178.1	2.1	110.4	S527 K528 I529 T533 L534 C535	S527-R531 WeakPolarHBondContact O-CB 3.32Å; S527-R531 WeakPolarHBondContact O-CG 3.34Å; S527-R531 PolarHBondContact O-N 3.04Å; K528-R531 PolarHBondContact O-N 3.26Å; I529-R531 VanDerWaalsContact C-N 3.25Å; I529-R531 PolarHBondContact O-N 3.37Å; R531-T533 VanDerWaalsContact C-N 3.31Å; R531-T533 PolarHBondContact O-N 3.44Å; R531-L534 CarbonylContact O-C 3.41Å; R531-L534 PolarHBondContact O-N 2.75Å; R531-C535 WeakPolarHBondContact O-CA 3.46Å; R531-C535 WeakPolarHBondContact O-CB 3.41Å; R531-C535 PolarHBondContact O-N 2.97Å; R531-C535 PolarHBondContact O-SG 3.46Å
532	S	76	Confident	76	Confident	90 Å²	90	55.8 Å²	55.8	63%	0.629	29%	0.292	S	S	*	.	H	α-helix	trans	-60.3	-35.5	-176.8	66.8	0	0	0	0	114.7	K528 I529	K528-S532 PolarHBondContact O-N 2.99Å; I529-S532 PolarHBondContact O-N 3.45Å; I529-S532 VanDerWaalsContact O-N 3.1Å; I529-S532 PolarHBondContact O-OG 3.14Å
533	T	72.5	Confident	75.7	Confident	74 Å²	74	53.1 Å²	53.1	45%	0.454	28%	0.275	S	S	.	.	H	α-helix	trans	-84.5	-40.7	-179.7	57.4	0	0	0	0	112.6	I529 C530 R531	I529-T533 HydrophobicContact CG2-CG2 4.36Å; I529-T533 PolarHBondContact O-N 2.88Å; I529-T533 PolarHBondContact O-OG1 3.36Å; C530-T533 PolarHBondContact O-OG1 3.46Å; R531-T533 VanDerWaalsContact C-N 3.31Å; R531-T533 PolarHBondContact O-N 3.44Å
534	L	70.3	Confident	75.4	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-91.4	0	-178.1	-50.5	179	0	0	0	112.1	F507 C530 R531 R536 F537 L543	F507-L534 HydrophobicContact CD2-CD1 3.73Å; F507-L534 HydrophobicContact CE2-CD1 4.11Å; C530-L534 HydrophobicContact CB-CD1 3.97Å; C530-L534 VanDerWaalsContact O-CA 3.27Å; C530-L534 WeakPolarHBondContact O-CA 3.4Å; C530-L534 WeakPolarHBondContact O-CB 3.41Å; C530-L534 WeakPolarHBondContact O-CG 3.25Å; C530-L534 PolarHBondContact O-N 2.96Å; R531-L534 CarbonylContact O-C 3.41Å; R531-L534 PolarHBondContact O-N 2.75Å; L534-R536 PolarHBondContact O-N 3.28Å; L534-F537 HydrophobicContact CB-CD2 3.44Å; L534-F537 VanDerWaalsContact CB-CD2 3.44Å; L534-F537 HydrophobicContact CB-CE2 3.27Å; L534-F537 HydrophobicContact CD2-CD2 4.41Å; L534-F537 HydrophobicContact CD2-CE2 3.5Å; L534-F537 HydrophobicContact CD2-CZ 4.31Å; L534-F537 HydrophobicContact CG-CD2 4.39Å; L534-F537 HydrophobicContact CG-CE2 3.89Å; L534-F537 WeakPolarHBondContact O-CB 3.45Å; L534-F537 WeakPolarHBondContact O-CD2 3.48Å; L534-F537 VanDerWaalsContact O-CE2 3.29Å; L534-F537 WeakPolarHBondContact O-CE2 3.38Å; L534-F537 WeakPolarHBondContact O-CG 3.21Å; L534-F537 PolarHBondContact O-N 3.01Å; L534-L543 HydrophobicContact CB-CD1 4.46Å; L534-L543 HydrophobicContact CD1-CD1 3.85Å
535	C	53.1	Low	75.1	Confident	66 Å²	66	53.5 Å²	53.5	45%	0.446	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.4	-175.9	-105.6	0	0	0	0	114.3	R531 F537	R531-C535 WeakPolarHBondContact O-CA 3.46Å; R531-C535 WeakPolarHBondContact O-CB 3.41Å; R531-C535 PolarHBondContact O-N 2.97Å; R531-C535 PolarHBondContact O-SG 3.46Å; C535-F537 VanDerWaalsContact C-N 3.26Å
536	R	59.4	Low	74.7	Confident	114 Å²	114	48.2 Å²	48.2	43%	0.43	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.3	168.4	-67.2	-172.8	-175.6	159.7	16.5	112.5	I241 P245 L247 L249 L534	I241-R536 HydrophobicContact CG2-CB 4.02Å; P245-R536 VanDerWaalsContact O-CZ 3.3Å; P245-R536 PolarHBondContact O-NH1 3.35Å; L247-R536 PolarHBondContact O-NH1 2.94Å; L249-R536 HydrophobicContact CD1-CB 3.84Å; L249-R536 HydrophobicContact CD1-CG 4.24Å; L534-R536 PolarHBondContact O-N 3.28Å
537	F	59	Low	74.6	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.031	25%	0.246	C	C	.	.			trans	-79.8	133.9	178	-55.6	-50.1	0	0	0	112	I241 D500 L534 C535 N539 Q540	I241-F537 VanDerWaalsContact C-CZ 3.41Å; I241-F537 HydrophobicContact CB-CD1 4.32Å; I241-F537 HydrophobicContact CB-CE1 3.55Å; I241-F537 HydrophobicContact CB-CZ 4.41Å; I241-F537 HydrophobicContact CG2-CD1 4.28Å; I241-F537 HydrophobicContact CG2-CE1 3.5Å; I241-F537 VanDerWaalsContact CG2-CE1 3.5Å; I241-F537 HydrophobicContact CG2-CZ 4.11Å; D500-F537 HydrophobicContact CB-CD1 3.42Å; D500-F537 VanDerWaalsContact CB-CD1 3.42Å; D500-F537 HydrophobicContact CB-CE1 3.85Å; D500-F537 HydrophobicContact CB-CG 4.02Å; D500-F537 WeakPolarHBondContact OD1-CE1 3.43Å; D500-F537 VanDerWaalsContact OD2-CD1 3.22Å; D500-F537 WeakPolarHBondContact OD2-CD1 3.2Å; L534-F537 HydrophobicContact CB-CD2 3.44Å; L534-F537 VanDerWaalsContact CB-CD2 3.44Å; L534-F537 HydrophobicContact CB-CE2 3.27Å; L534-F537 HydrophobicContact CD2-CD2 4.41Å; L534-F537 HydrophobicContact CD2-CE2 3.5Å; L534-F537 HydrophobicContact CD2-CZ 4.31Å; L534-F537 HydrophobicContact CG-CD2 4.39Å; L534-F537 HydrophobicContact CG-CE2 3.89Å; L534-F537 WeakPolarHBondContact O-CB 3.45Å; L534-F537 WeakPolarHBondContact O-CD2 3.48Å; L534-F537 VanDerWaalsContact O-CE2 3.29Å; L534-F537 WeakPolarHBondContact O-CE2 3.38Å; L534-F537 WeakPolarHBondContact O-CG 3.21Å; L534-F537 PolarHBondContact O-N 3.01Å; C535-F537 VanDerWaalsContact C-N 3.26Å; F537-N539 VanDerWaalsContact C-N 3.28Å; F537-Q540 WeakPolarHBondContact O-CG 3.48Å; F537-Q540 PolarHBondContact O-NE2 3.22Å
538	P	58	Low	74.5	Confident	47 Å²	47	48.3 Å²	48.3	31%	0.305	25%	0.254	S	S	.	.	S	Bend	trans	-74	-22.2	164.6	23.2	-22.5	0	0	0	111.9	Q279 R281 Q540	Q279-P538 HydrophobicContact CB-CG 4.22Å; Q279-P538 WeakPolarHBondContact O-CB 3.39Å; Q279-P538 WeakPolarHBondContact O-CG 3.22Å; R281-P538 HydrophobicContact CG-CB 4.18Å; P538-Q540 VanDerWaalsContact C-N 3.26Å; P538-Q540 PolarHBondContact O-N 3.46Å; P538-Q540 VanDerWaalsContact O-N 3.08Å
539	N	61.3	Low	74.5	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.102	23%	0.226	C	C	.	.			trans	-86.2	51.6	179.1	-67.1	-34.4	0	0	0	112.7	R281 T501 F537 S541 P542	R281-N539 PolarHBondContact NE-OD1 3.3Å; R281-N539 PolarHBondContact NH2-OD1 3.01Å; T501-N539 HydrophobicContact CG2-CB 4.31Å; T501-N539 VanDerWaalsContact CG2-ND2 3.35Å; T501-N539 WeakPolarHBondContact CG2-ND2 3.38Å; F537-N539 VanDerWaalsContact C-N 3.28Å; N539-S541 PolarHBondContact O-N 3.42Å; N539-P542 WeakPolarHBondContact O-CD 3.24Å
540	Q	67.9	Low	74.5	Confident	58 Å²	58	37.2 Å²	37.2	27%	0.271	20%	0.202	S	C	.	.			trans	-74.5	-8.7	179.1	-54.9	-171.5	-3.5	0	0	113.6	F537 P538 L543 L544	F537-Q540 WeakPolarHBondContact O-CG 3.48Å; F537-Q540 PolarHBondContact O-NE2 3.22Å; P538-Q540 VanDerWaalsContact C-N 3.26Å; P538-Q540 PolarHBondContact O-N 3.46Å; P538-Q540 VanDerWaalsContact O-N 3.08Å; Q540-L543 PolarHBondContact O-N 3.21Å; Q540-L544 HydrophobicContact CB-CD1 3.62Å; Q540-L544 HydrophobicContact CB-CG 3.98Å; Q540-L544 WeakPolarHBondContact O-CG 3.33Å; Q540-L544 PolarHBondContact O-N 2.85Å
541	S	74.2	Confident	74.6	Confident	57 Å²	57	40 Å²	40	40%	0.399	22%	0.215	S	C	.	.	H	α-helix	trans	-55.6	-43.1	-168.5	52.6	0	0	0	0	114.5	N539 L543 Q545	N539-S541 PolarHBondContact O-N 3.42Å; S541-L543 PolarHBondContact O-N 3.33Å; S541-Q545 WeakPolarHBondContact O-CB 3.29Å; S541-Q545 PolarHBondContact O-N 3.16Å
542	P	77.2	Confident	74.9	Confident	24 Å²	24	35.2 Å²	35.2	16%	0.156	20%	0.197	C	C	.	.	H	α-helix	trans	-69.9	-36.9	-178.7	-17.4	33.5	0	0	0	112.4	A504 N505 A508 N539 A546	A504-P542 HydrophobicContact CB-CG 4.43Å; N505-P542 WeakPolarHBondContact OD1-CB 3.26Å; N505-P542 VanDerWaalsContact OD1-CG 3.3Å; N505-P542 WeakPolarHBondContact OD1-CG 3.43Å; A508-P542 HydrophobicContact CB-CB 3.94Å; A508-P542 WeakPolarHBondContact CB-O 3.43Å; N539-P542 WeakPolarHBondContact O-CD 3.24Å; P542-A546 WeakPolarHBondContact O-CB 3.43Å; P542-A546 PolarHBondContact O-N 3.47Å
543	L	81.9	Confident	75.3	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-70.5	-45	179.1	-72.5	170.2	0	0	0	111.7	A504 F507 A508 I511 C530 L534 Q540 S541 A546 S547	A504-L543 HydrophobicContact CB-CD1 4.21Å; A504-L543 HydrophobicContact CB-CG 4.27Å; F507-L543 HydrophobicContact CB-CD2 3.73Å; A508-L543 HydrophobicContact CB-CD2 4.42Å; I511-L543 HydrophobicContact CD1-CD2 3.98Å; C530-L543 HydrophobicContact CB-CD2 4.33Å; L534-L543 HydrophobicContact CB-CD1 4.46Å; L534-L543 HydrophobicContact CD1-CD1 3.85Å; Q540-L543 PolarHBondContact O-N 3.21Å; S541-L543 PolarHBondContact O-N 3.33Å; L543-A546 PolarHBondContact O-N 3.43Å; L543-S547 WeakPolarHBondContact O-CB 3.1Å; L543-S547 PolarHBondContact O-N 3.35Å
544	L	81.7	Confident	75.9	Confident	21 Å²	21	32.8 Å²	32.8	11%	0.11	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-43.7	176.3	-70.3	173.2	0	0	0	110.7	Q540 S547 M548 Y575	Q540-L544 HydrophobicContact CB-CD1 3.62Å; Q540-L544 HydrophobicContact CB-CG 3.98Å; Q540-L544 WeakPolarHBondContact O-CG 3.33Å; Q540-L544 PolarHBondContact O-N 2.85Å; L544-S547 PolarHBondContact O-N 3.45Å; L544-M548 WeakPolarHBondContact O-CB 3.33Å; L544-M548 VanDerWaalsContact O-CG 3.27Å; L544-M548 WeakPolarHBondContact O-CG 3.41Å; L544-M548 PolarHBondContact O-N 2.96Å; L544-Y575 HydrophobicContact CB-CE1 4.04Å; L544-Y575 HydrophobicContact CD1-CE1 4.24Å; L544-Y575 WeakPolarHBondContact CD1-OH 3.45Å
545	Q	83.6	Confident	76.5	Confident	22 Å²	22	34.6 Å²	34.6	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-51.3	173.1	176.9	179.6	-4	0	0	111.2	S541 S547 M548 E549 L572 Y575	S541-Q545 WeakPolarHBondContact O-CB 3.29Å; S541-Q545 PolarHBondContact O-N 3.16Å; Q545-S547 PolarHBondContact O-N 3.26Å; Q545-M548 PolarHBondContact O-N 3.09Å; Q545-E549 HydrophobicContact CG-CG 4.44Å; Q545-E549 WeakPolarHBondContact CG-OE1 3.46Å; Q545-E549 PolarHBondContact NE2-OE1 2.85Å; Q545-E549 WeakPolarHBondContact O-CB 3.39Å; Q545-E549 WeakPolarHBondContact O-CG 3.3Å; Q545-E549 PolarHBondContact O-N 3.23Å; Q545-L572 HydrophobicContact CG-CD1 3.87Å; Q545-Y575 HydrophobicContact CB-CG 4.39Å
546	A	81.2	Confident	77.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-43.3	179.5	0	0	0	0	0	112.1	A508 I511 K512 P542 L543 M548 E549 V550	A508-A546 HydrophobicContact CB-CB 3.93Å; I511-A546 HydrophobicContact CG2-CB 4.24Å; K512-A546 HydrophobicContact CG-CB 4.09Å; P542-A546 WeakPolarHBondContact O-CB 3.43Å; P542-A546 PolarHBondContact O-N 3.47Å; L543-A546 PolarHBondContact O-N 3.43Å; A546-M548 PolarHBondContact O-N 3.05Å; A546-E549 PolarHBondContact O-N 3.46Å; A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.38Å; A546-V550 PolarHBondContact O-N 3.27Å
547	S	86.9	Confident	78.8	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.8	-159.6	0	0	0	0	112	S527 L543 L544 Q545 V550 E551	S527-S547 VanDerWaalsContact OG-CB 3.28Å; S527-S547 WeakPolarHBondContact OG-CB 3.34Å; S527-S547 PolarHBondContact OG-OG 3.03Å; L543-S547 WeakPolarHBondContact O-CB 3.1Å; L543-S547 PolarHBondContact O-N 3.35Å; L544-S547 PolarHBondContact O-N 3.45Å; Q545-S547 PolarHBondContact O-N 3.26Å; S547-V550 PolarHBondContact O-N 2.86Å; S547-E551 WeakPolarHBondContact O-CG 3.33Å; S547-E551 PolarHBondContact O-N 3.24Å
548	M	85.6	Confident	79.6	Confident	35 Å²	35	27.8 Å²	27.8	17%	0.172	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-40.2	178.3	-70.5	177.5	-173.1	0	0	111.9	L544 Q545 A546 E551 L552 Y575	L544-M548 WeakPolarHBondContact O-CB 3.33Å; L544-M548 VanDerWaalsContact O-CG 3.27Å; L544-M548 WeakPolarHBondContact O-CG 3.41Å; L544-M548 PolarHBondContact O-N 2.96Å; Q545-M548 PolarHBondContact O-N 3.09Å; A546-M548 PolarHBondContact O-N 3.05Å; M548-E551 PolarHBondContact O-N 2.97Å; M548-L552 WeakPolarHBondContact O-CB 3.41Å; M548-L552 PolarHBondContact O-N 3.09Å; M548-Y575 HydrophobicContact CE-CE2 3.62Å; M548-Y575 HydrophobicContact SD-CD2 4Å; M548-Y575 HydrophobicContact SD-CE2 3.57Å; M548-Y575 VanDerWaalsContact SD-CE2 3.57Å
549	E	86	Confident	80.4	Confident	14 Å²	14	27.5 Å²	27.5	7%	0.065	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-42.1	175.7	-75.1	175.2	-159.9	0	0	111.8	K512 Q545 A546 L552 E553 L572 E579	K512-E549 WeakPolarHBondContact CE-OE2 3.26Å; K512-E549 VanDerWaalsContact NZ-CD 3.29Å; K512-E549 IonicContact NZ-OE1 3.74Å; K512-E549 PolarHBondContact NZ-OE1 3.5Å; K512-E549 IonicContact NZ-OE2 3.35Å; K512-E549 PolarHBondContact NZ-OE2 3.19Å; Q545-E549 HydrophobicContact CG-CG 4.44Å; Q545-E549 WeakPolarHBondContact CG-OE1 3.46Å; Q545-E549 PolarHBondContact NE2-OE1 2.85Å; Q545-E549 WeakPolarHBondContact O-CB 3.39Å; Q545-E549 WeakPolarHBondContact O-CG 3.3Å; Q545-E549 PolarHBondContact O-N 3.23Å; A546-E549 PolarHBondContact O-N 3.46Å; E549-L552 PolarHBondContact O-N 3.08Å; E549-E553 VanDerWaalsContact O-CB 3.29Å; E549-E553 WeakPolarHBondContact O-CB 3.43Å; E549-E553 PolarHBondContact O-N 3.32Å; E549-L572 HydrophobicContact CG-CD1 4.03Å; E549-L572 HydrophobicContact CG-CD2 4.21Å; E549-E579 HydrophobicContact CG-CG 4.41Å
550	V	85.6	Confident	80.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176.7	172.9	0	0	0	0	111.5	I511 N515 I520 A523 L524 A546 S547 E553 Q554	I511-V550 HydrophobicContact CG2-CG2 3.93Å; N515-V550 HydrophobicContact CB-CB 4.34Å; N515-V550 HydrophobicContact CB-CG1 4Å; N515-V550 HydrophobicContact CB-CG2 3.57Å; I520-V550 HydrophobicContact CG2-CG1 4.03Å; A523-V550 HydrophobicContact CB-CG1 4.19Å; L524-V550 HydrophobicContact CD2-CB 4.44Å; L524-V550 HydrophobicContact CD2-CG1 3.95Å; L524-V550 HydrophobicContact CG-CG1 4.23Å; A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.38Å; A546-V550 PolarHBondContact O-N 3.27Å; S547-V550 PolarHBondContact O-N 2.86Å; V550-E553 PolarHBondContact O-N 2.8Å; V550-Q554 PolarHBondContact O-N 3.27Å
551	E	86.1	Confident	81.3	Confident	62 Å²	62	33.6 Å²	33.6	29%	0.29	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-45.4	177	-72.1	176.5	-166.3	0	0	111.2	L524 S547 M548 E553 Q554 H555 L568	L524-E551 HydrophobicContact CD2-CG 3.69Å; S547-E551 WeakPolarHBondContact O-CG 3.33Å; S547-E551 PolarHBondContact O-N 3.24Å; M548-E551 PolarHBondContact O-N 2.97Å; E551-E553 VanDerWaalsContact C-N 3.35Å; E551-E553 PolarHBondContact O-N 3.06Å; E551-Q554 PolarHBondContact O-N 2.88Å; E551-H555 PolarHBondContact O-CD2 3.17Å; E551-H555 PolarHBondContact O-N 3.39Å; E551-L568 HydrophobicContact CB-CD1 4.03Å
552	L	86.3	Confident	81.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-43.4	179.1	179	59.1	0	0	0	111.4	M548 E549 Q554 H555 L556 C565 L568 V569 L572 R583	M548-L552 WeakPolarHBondContact O-CB 3.41Å; M548-L552 PolarHBondContact O-N 3.09Å; E549-L552 PolarHBondContact O-N 3.08Å; L552-Q554 PolarHBondContact O-N 3.47Å; L552-H555 PolarHBondContact O-N 2.98Å; L552-L556 HydrophobicContact CD1-CD1 4.22Å; L552-L556 HydrophobicContact CD1-CG 4.3Å; L552-L556 HydrophobicContact CG-CD1 4Å; L552-L556 WeakPolarHBondContact O-CB 3.16Å; L552-L556 VanDerWaalsContact O-CG 3.31Å; L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 2.86Å; L552-C565 HydrophobicContact CD1-CB 3.75Å; L552-L568 HydrophobicContact CB-CB 4.26Å; L552-L568 HydrophobicContact CB-CD1 4.15Å; L552-L568 HydrophobicContact CD1-CB 4.05Å; L552-L568 HydrophobicContact CD1-CD1 4.48Å; L552-V569 HydrophobicContact CD1-CG2 3.96Å; L552-V569 HydrophobicContact CD2-CG2 3.76Å; L552-L572 HydrophobicContact CD2-CD2 4.2Å; L552-R583 HydrophobicContact CD2-CB 3.69Å; L552-R583 HydrophobicContact CD2-CG 3.75Å
553	E	83.8	Confident	82.1	Confident	36 Å²	36	34.2 Å²	34.2	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-39	177.5	-172.6	169.3	-178.8	0	0	112.1	N515 E549 V550 E551 L556 R557	N515-E553 PolarHBondContact ND2-OE2 3.41Å; E549-E553 VanDerWaalsContact O-CB 3.29Å; E549-E553 WeakPolarHBondContact O-CB 3.43Å; E549-E553 PolarHBondContact O-N 3.32Å; V550-E553 PolarHBondContact O-N 2.8Å; E551-E553 VanDerWaalsContact C-N 3.35Å; E551-E553 PolarHBondContact O-N 3.06Å; E553-L556 PolarHBondContact O-N 3.25Å; E553-R557 HydrophobicContact CG-CG 4.44Å; E553-R557 WeakPolarHBondContact O-CB 3.44Å; E553-R557 WeakPolarHBondContact O-CG 3.49Å; E553-R557 PolarHBondContact O-N 2.98Å; E553-R557 IonicContact OE1-CZ 2.62Å; E553-R557 VanDerWaalsContact OE1-CZ 3.28Å; E553-R557 IonicContact OE1-NE 3.91Å; E553-R557 PolarHBondContact OE1-NE 3.33Å; E553-R557 IonicContact OE1-NH2 3.6Å; E553-R557 PolarHBondContact OE1-NH2 2.83Å; E553-R557 IonicContact OE2-NH2 2.65Å
554	Q	83.9	Confident	82.4	Confident	76 Å²	76	36.2 Å²	36.2	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-61.9	-43.7	173.6	-176.4	-179.9	5.7	0	0	112.1	I520 V550 E551 L552 R557 S558	I520-Q554 HydrophobicContact CD1-CB 4.27Å; I520-Q554 HydrophobicContact CD1-CG 4.09Å; I520-Q554 HydrophobicContact CG2-CB 4.38Å; I520-Q554 HydrophobicContact CG2-CG 4.4Å; V550-Q554 PolarHBondContact O-N 3.27Å; E551-Q554 PolarHBondContact O-N 2.88Å; L552-Q554 PolarHBondContact O-N 3.47Å; Q554-R557 PolarHBondContact O-N 3.28Å; Q554-S558 PolarHBondContact O-N 2.87Å; Q554-S558 PolarHBondContact O-OG 3.07Å
555	H	83.6	Confident	82.7	Confident	54 Å²	54	35.2 Å²	35.2	25%	0.25	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-38.9	176.7	-74	-65.5	0	0	0	112.2	E551 L552 S558 G559 C565	E551-H555 PolarHBondContact O-CD2 3.17Å; E551-H555 PolarHBondContact O-N 3.39Å; L552-H555 PolarHBondContact O-N 2.98Å; H555-S558 PolarHBondContact O-OG 3.14Å; H555-S558 VanDerWaalsContact O-OG 3.11Å; H555-G559 PolarHBondContact O-N 3.31Å; H555-C565 VanDerWaalsContact CB-SG 3.54Å
556	L	82.7	Confident	82.8	Confident	11 Å²	11	36 Å²	36	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-36.5	174.2	-77.6	170.7	0	0	0	113	L552 E553 E586 V587 K590	L552-L556 HydrophobicContact CD1-CD1 4.22Å; L552-L556 HydrophobicContact CD1-CG 4.3Å; L552-L556 HydrophobicContact CG-CD1 4Å; L552-L556 WeakPolarHBondContact O-CB 3.16Å; L552-L556 VanDerWaalsContact O-CG 3.31Å; L552-L556 WeakPolarHBondContact O-CG 3.33Å; L552-L556 PolarHBondContact O-N 2.86Å; E553-L556 PolarHBondContact O-N 3.25Å; L556-E586 HydrophobicContact CD1-CB 4.33Å; L556-E586 WeakPolarHBondContact CD1-OE2 2.82Å; L556-V587 HydrophobicContact CD2-CB 4.45Å; L556-V587 HydrophobicContact CD2-CG2 3.68Å; L556-K590 HydrophobicContact CD2-CG 4.35Å
557	R	78.3	Confident	83.2	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-46.1	175.6	-73.9	170.2	-175.9	172	0.3	111.7	N515 E553 Q554	N515-R557 PolarHBondContact O-NH2 3.02Å; N515-R557 PolarHBondContact OD1-NH1 3.38Å; E553-R557 HydrophobicContact CG-CG 4.44Å; E553-R557 WeakPolarHBondContact O-CB 3.44Å; E553-R557 WeakPolarHBondContact O-CG 3.49Å; E553-R557 PolarHBondContact O-N 2.98Å; E553-R557 IonicContact OE1-CZ 2.62Å; E553-R557 VanDerWaalsContact OE1-CZ 3.28Å; E553-R557 IonicContact OE1-NE 3.91Å; E553-R557 PolarHBondContact OE1-NE 3.33Å; E553-R557 IonicContact OE1-NH2 3.6Å; E553-R557 PolarHBondContact OE1-NH2 2.83Å; E553-R557 IonicContact OE2-NH2 2.65Å; Q554-R557 PolarHBondContact O-N 3.28Å
558	S	76.5	Confident	83.3	Confident	20 Å²	20	44.1 Å²	44.1	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-32.5	-179.5	58.5	0	0	0	0	113.4	Q554 H555 Y560 R833	Q554-S558 PolarHBondContact O-N 2.87Å; Q554-S558 PolarHBondContact O-OG 3.07Å; H555-S558 PolarHBondContact O-OG 3.14Å; H555-S558 VanDerWaalsContact O-OG 3.11Å; S558-Y560 VanDerWaalsContact C-N 3.27Å; S558-Y560 PolarHBondContact O-N 3.36Å; S558-R833 VanDerWaalsContact O-CD 3.25Å; S558-R833 WeakPolarHBondContact O-CD 3.4Å
559	G	74.1	Confident	83.3	Confident	41 Å²	41	42.7 Å²	42.7	42%	0.423	21%	0.214	S	C	.	.			trans	72.9	8.4	173.5	0	0	0	0	0	115.9	H555	H555-G559 PolarHBondContact O-N 3.31Å
560	Y	69.6	Low	83.3	Confident	138 Å²	138	46.9 Å²	46.9	54%	0.541	24%	0.237	S	C	.	.	S	Bend	trans	-84.4	-37.2	-175.2	-85.1	-49.2	0	0	0	115.2	S558 R833	S558-Y560 VanDerWaalsContact C-N 3.27Å; S558-Y560 PolarHBondContact O-N 3.36Å; Y560-R833 PolarHBondContact OH-NH1 2.93Å
561	D	79	Confident	83.3	Confident	67 Å²	67	49 Å²	49	36%	0.358	25%	0.253	S	S	.	.			trans	-128.2	78.6	-171.6	-166.1	-11.3	0	0	0	111.4	A563 Q564 C565	D561-A563 PolarHBondContact O-N 3.33Å; D561-A563 WeakPolarHBondContact OD1-CB 3.33Å; D561-A563 PolarHBondContact OD1-N 3.2Å; D561-A563 VanDerWaalsContact OD1-N 3.13Å; D561-Q564 HydrophobicContact CB-CB 4.01Å; D561-Q564 VanDerWaalsContact CG-CB 3.4Å; D561-Q564 PolarHBondContact O-N 3.17Å; D561-Q564 PolarHBondContact OD1-N 3.4Å; D561-Q564 WeakPolarHBondContact OD2-CB 3.22Å; D561-C565 PolarHBondContact O-N 3.48Å; D561-C565 PolarHBondContact O-SG 2.85Å
562	L	83.2	Confident	83.2	Confident	40 Å²	40	46.1 Å²	46.1	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-15.4	175.7	-60.8	173.7	0	0	0	112.4	D566 K590 R591	L562-D566 PolarHBondContact O-N 3.32Å; L562-K590 HydrophobicContact CD2-CB 4.02Å; L562-R591 HydrophobicContact CD1-CG 3.67Å; L562-R591 PolarHBondContact O-NH2 3.07Å
563	A	85	Confident	83	Confident	53 Å²	53	50 Å²	50	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-79.2	-37	175.2	0	0	0	0	0	111.1	D561 C565 D566 R567	D561-A563 PolarHBondContact O-N 3.33Å; D561-A563 WeakPolarHBondContact OD1-CB 3.33Å; D561-A563 PolarHBondContact OD1-N 3.2Å; D561-A563 VanDerWaalsContact OD1-N 3.13Å; A563-C565 VanDerWaalsContact C-N 3.3Å; A563-D566 PolarHBondContact O-N 2.91Å; A563-R567 PolarHBondContact O-N 3.39Å
564	Q	87.2	Confident	82.7	Confident	51 Å²	51	55.4 Å²	55.4	24%	0.238	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-36.5	170.2	-173	63.5	14	0	0	111.5	D561 D566 R567 L568	D561-Q564 HydrophobicContact CB-CB 4.01Å; D561-Q564 VanDerWaalsContact CG-CB 3.4Å; D561-Q564 PolarHBondContact O-N 3.17Å; D561-Q564 PolarHBondContact OD1-N 3.4Å; D561-Q564 WeakPolarHBondContact OD2-CB 3.22Å; Q564-D566 PolarHBondContact O-N 2.96Å; Q564-R567 PolarHBondContact O-N 2.99Å; Q564-L568 HydrophobicContact CG-CD1 4.42Å; Q564-L568 WeakPolarHBondContact O-CG 3.15Å; Q564-L568 PolarHBondContact O-N 2.75Å
565	C	87.7	Confident	82.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-47.6	171.3	-64.6	0	0	0	0	111.9	L552 H555 D561 A563 R567 L568 V569 V587	L552-C565 HydrophobicContact CD1-CB 3.75Å; H555-C565 VanDerWaalsContact CB-SG 3.54Å; D561-C565 PolarHBondContact O-N 3.48Å; D561-C565 PolarHBondContact O-SG 2.85Å; A563-C565 VanDerWaalsContact C-N 3.3Å; C565-R567 VanDerWaalsContact C-N 3.3Å; C565-R567 PolarHBondContact O-N 3.06Å; C565-L568 PolarHBondContact O-N 2.82Å; C565-L568 VanDerWaalsContact O-N 3.15Å; C565-V569 VanDerWaalsContact O-CG2 3.3Å; C565-V569 WeakPolarHBondContact O-CG2 3.5Å; C565-V569 PolarHBondContact O-N 3.37Å; C565-V587 HydrophobicContact CB-CG1 4.33Å; C565-V587 HydrophobicContact CB-CG2 3.62Å
566	D	86.9	Confident	82	Confident	37 Å²	37	53.5 Å²	53.5	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-39.4	177.9	-75.1	-13.3	0	0	0	112.3	L562 A563 Q564 V569 N570 Q584 R591	L562-D566 PolarHBondContact O-N 3.32Å; A563-D566 PolarHBondContact O-N 2.91Å; Q564-D566 PolarHBondContact O-N 2.96Å; D566-V569 PolarHBondContact O-N 2.82Å; D566-N570 WeakPolarHBondContact O-CB 3.43Å; D566-N570 VanDerWaalsContact O-CG 3.26Å; D566-N570 PolarHBondContact O-N 2.77Å; D566-N570 PolarHBondContact O-ND2 3.25Å; D566-Q584 PolarHBondContact OD1-NE2 3.22Å; D566-R591 IonicContact OD1-CZ 3.28Å; D566-R591 IonicContact OD1-NH1 2.85Å; D566-R591 IonicContact OD1-NH2 4Å; D566-R591 PolarHBondContact OD1-NH2 3.18Å; D566-R591 IonicContact OD2-CZ 3.42Å; D566-R591 IonicContact OD2-NH1 3.68Å; D566-R591 PolarHBondContact OD2-NH1 3.2Å; D566-R591 IonicContact OD2-NH2 2.86Å; D566-R591 PolarHBondContact OD2-NH2 3.47Å
567	R	89.4	Confident	81.8	Confident	165 Å²	165	54.4 Å²	54.4	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-42.9	176.2	-69.6	177.4	-178.5	164.6	-0.7	111.8	A563 Q564 C565 S571	A563-R567 PolarHBondContact O-N 3.39Å; Q564-R567 PolarHBondContact O-N 2.99Å; C565-R567 VanDerWaalsContact C-N 3.3Å; C565-R567 PolarHBondContact O-N 3.06Å; R567-S571 WeakPolarHBondContact O-CB 3.35Å; R567-S571 PolarHBondContact O-N 3.01Å; R567-S571 PolarHBondContact O-OG 3.38Å
568	L	88.5	Confident	81.9	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-40.9	177.6	-72	173.3	0	0	0	111.5	E551 L552 Q564 C565 S571 L572	E551-L568 HydrophobicContact CB-CD1 4.03Å; L552-L568 HydrophobicContact CB-CB 4.26Å; L552-L568 HydrophobicContact CB-CD1 4.15Å; L552-L568 HydrophobicContact CD1-CB 4.05Å; L552-L568 HydrophobicContact CD1-CD1 4.48Å; Q564-L568 HydrophobicContact CG-CD1 4.42Å; Q564-L568 WeakPolarHBondContact O-CG 3.15Å; Q564-L568 PolarHBondContact O-N 2.75Å; C565-L568 PolarHBondContact O-N 2.82Å; C565-L568 VanDerWaalsContact O-N 3.15Å; L568-S571 WeakPolarHBondContact O-CB 3.45Å; L568-S571 PolarHBondContact O-N 2.99Å; L568-L572 WeakPolarHBondContact O-CB 3.29Å; L568-L572 PolarHBondContact O-N 3.15Å
569	V	86.8	Confident	82.2	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-45.5	174.9	172.2	0	0	0	0	111.1	L552 C565 D566 S571 L572 K573 S580 R583 Q584 V587	L552-V569 HydrophobicContact CD1-CG2 3.96Å; L552-V569 HydrophobicContact CD2-CG2 3.76Å; C565-V569 VanDerWaalsContact O-CG2 3.3Å; C565-V569 WeakPolarHBondContact O-CG2 3.5Å; C565-V569 PolarHBondContact O-N 3.37Å; D566-V569 PolarHBondContact O-N 2.82Å; V569-S571 VanDerWaalsContact C-N 3.26Å; V569-S571 PolarHBondContact O-N 3.18Å; V569-L572 WeakPolarHBondContact O-CB 3.16Å; V569-L572 PolarHBondContact O-N 3.16Å; V569-K573 PolarHBondContact O-N 3.13Å; V569-S580 WeakPolarHBondContact CG1-O 2.8Å; V569-R583 HydrophobicContact CG2-CB 4.02Å; V569-Q584 HydrophobicContact CG1-CB 4.09Å; V569-Q584 VanDerWaalsContact CG1-OE1 3.27Å; V569-V587 HydrophobicContact CG2-CG2 4.22Å
570	N	85.9	Confident	82.7	Confident	102 Å²	102	51.9 Å²	51.9	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-35.7	175.3	-76.8	-45	0	0	0	112.4	D566 K573	D566-N570 WeakPolarHBondContact O-CB 3.43Å; D566-N570 VanDerWaalsContact O-CG 3.26Å; D566-N570 PolarHBondContact O-N 2.77Å; D566-N570 PolarHBondContact O-ND2 3.25Å; N570-K573 WeakPolarHBondContact O-CB 3.39Å
571	S	84.9	Confident	83.4	Confident	46 Å²	46	45.5 Å²	45.5	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-71.3	-40.4	174.7	-56.3	0	0	0	0	111.7	R567 L568 V569 K573 L574 Y575	R567-S571 WeakPolarHBondContact O-CB 3.35Å; R567-S571 PolarHBondContact O-N 3.01Å; R567-S571 PolarHBondContact O-OG 3.38Å; L568-S571 WeakPolarHBondContact O-CB 3.45Å; L568-S571 PolarHBondContact O-N 2.99Å; V569-S571 VanDerWaalsContact C-N 3.26Å; V569-S571 PolarHBondContact O-N 3.18Å; S571-K573 VanDerWaalsContact C-N 3.26Å; S571-K573 PolarHBondContact O-N 3.05Å; S571-L574 WeakPolarHBondContact O-CB 3.46Å; S571-L574 PolarHBondContact O-N 2.86Å; S571-Y575 WeakPolarHBondContact O-CD2 3.45Å
572	L	83.6	Confident	83.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.1	-31.8	178.4	-174.8	60.9	0	0	0	112.2	Q545 E549 L552 L568 V569 L574 Y575 C576 E579 R583	Q545-L572 HydrophobicContact CG-CD1 3.87Å; E549-L572 HydrophobicContact CG-CD1 4.03Å; E549-L572 HydrophobicContact CG-CD2 4.21Å; L552-L572 HydrophobicContact CD2-CD2 4.2Å; L568-L572 WeakPolarHBondContact O-CB 3.29Å; L568-L572 PolarHBondContact O-N 3.15Å; V569-L572 WeakPolarHBondContact O-CB 3.16Å; V569-L572 PolarHBondContact O-N 3.16Å; L572-L574 PolarHBondContact O-N 3.29Å; L572-L574 VanDerWaalsContact O-N 3.14Å; L572-Y575 PolarHBondContact O-N 2.81Å; L572-C576 PolarHBondContact O-N 3.44Å; L572-E579 HydrophobicContact CD2-CB 4.27Å; L572-E579 HydrophobicContact CD2-CG 3.8Å; L572-R583 HydrophobicContact CD2-CG 4.13Å
573	K	82	Confident	84	Confident	84 Å²	84	41.7 Å²	41.7	37%	0.365	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.5	175.9	-171.1	175.3	179.2	177.9	0	113	V569 N570 S571 Y575	V569-K573 PolarHBondContact O-N 3.13Å; N570-K573 WeakPolarHBondContact O-CB 3.39Å; S571-K573 VanDerWaalsContact C-N 3.26Å; S571-K573 PolarHBondContact O-N 3.05Å; K573-Y575 VanDerWaalsContact C-N 3.31Å; K573-Y575 PolarHBondContact O-N 3.35Å
574	L	77.7	Confident	84.1	Confident	148 Å²	148	40.7 Å²	40.7	78%	0.775	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.5	176.8	-63.3	172.4	0	0	0	113.3	S571 L572	S571-L574 WeakPolarHBondContact O-CB 3.46Å; S571-L574 PolarHBondContact O-N 2.86Å; L572-L574 PolarHBondContact O-N 3.29Å; L572-L574 VanDerWaalsContact O-N 3.14Å
575	Y	75	Confident	84.1	Confident	77 Å²	77	38.4 Å²	38.4	30%	0.302	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-46.4	-177.2	-56.7	-84.5	0	0	0	111.8	L544 Q545 M548 S571 L572 K573	L544-Y575 HydrophobicContact CB-CE1 4.04Å; L544-Y575 HydrophobicContact CD1-CE1 4.24Å; L544-Y575 WeakPolarHBondContact CD1-OH 3.45Å; Q545-Y575 HydrophobicContact CB-CG 4.39Å; M548-Y575 HydrophobicContact CE-CE2 3.62Å; M548-Y575 HydrophobicContact SD-CD2 4Å; M548-Y575 HydrophobicContact SD-CE2 3.57Å; M548-Y575 VanDerWaalsContact SD-CE2 3.57Å; S571-Y575 WeakPolarHBondContact O-CD2 3.45Å; L572-Y575 PolarHBondContact O-N 2.81Å; K573-Y575 VanDerWaalsContact C-N 3.31Å; K573-Y575 PolarHBondContact O-N 3.35Å
576	C	77.3	Confident	84	Confident	14 Å²	14	40.8 Å²	40.8	10%	0.095	20%	0.198	C	C	.	.			trans	-143.7	94.7	-178	-170.6	0	0	0	0	110.5	L572 W578 E579 S580	L572-C576 PolarHBondContact O-N 3.44Å; C576-W578 PolarHBondContact O-N 3.44Å; C576-E579 HydrophobicContact CB-CB 3.91Å; C576-E579 PolarHBondContact O-N 2.96Å; C576-E579 VanDerWaalsContact SG-CB 3.59Å; C576-E579 PolarHBondContact SG-N 3.33Å; C576-S580 PolarHBondContact O-N 2.87Å
577	P	79.1	Confident	84	Confident	30 Å²	30	39 Å²	39	20%	0.195	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-38.3	178.4	-27.1	34.7	0	0	0	113.1	S580 A581 F652	P577-S580 WeakPolarHBondContact CA-OG 3.29Å; P577-S580 PolarHBondContact O-N 3.23Å; P577-S580 PolarHBondContact O-OG 3.11Å; P577-A581 PolarHBondContact O-N 2.97Å; P577-F652 HydrophobicContact CB-CD1 4.11Å; P577-F652 HydrophobicContact CB-CE1 4.49Å
578	W	81.4	Confident	83.8	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-48.1	179.1	-65.1	102.4	0	0	0	113.1	C576 S580 A581 I582 I604 I608 R611 F652 V658 L664 V667	C576-W578 PolarHBondContact O-N 3.44Å; W578-S580 VanDerWaalsContact C-N 3.31Å; W578-S580 PolarHBondContact O-N 2.88Å; W578-A581 PolarHBondContact O-N 3.19Å; W578-I582 PolarHBondContact O-N 2.78Å; W578-I604 HydrophobicContact CE3-CG2 4.3Å; W578-I604 HydrophobicContact CZ3-CG2 4.29Å; W578-I608 HydrophobicContact CE3-CD1 4.26Å; W578-I608 HydrophobicContact CE3-CG1 4.12Å; W578-I608 HydrophobicContact CH2-CG1 3.61Å; W578-I608 HydrophobicContact CZ3-CD1 3.95Å; W578-I608 HydrophobicContact CZ3-CG1 3.39Å; W578-R611 VanDerWaalsContact CZ2-CZ 3.42Å; W578-F652 AromaticContact CD2-CD1 3.67Å; W578-F652 HydrophobicContact CD2-CD1 3.67Å; W578-F652 AromaticContact CD2-CE1 3.81Å; W578-F652 HydrophobicContact CD2-CE1 3.81Å; W578-F652 HydrophobicContact CD2-CG 4.28Å; W578-F652 HydrophobicContact CD2-CZ 4.49Å; W578-F652 AromaticContact CE2-CD1 3.83Å; W578-F652 AromaticContact CE3-CD1 3.75Å; W578-F652 HydrophobicContact CE3-CD1 3.75Å; W578-F652 HydrophobicContact CE3-CD2 4.4Å; W578-F652 AromaticContact CE3-CE1 3.55Å; W578-F652 HydrophobicContact CE3-CE1 3.55Å; W578-F652 HydrophobicContact CE3-CE2 4.2Å; W578-F652 HydrophobicContact CE3-CG 4.19Å; W578-F652 AromaticContact CE3-CZ 3.79Å; W578-F652 HydrophobicContact CE3-CZ 3.79Å; W578-F652 HydrophobicContact CG-CD1 4.25Å; W578-F652 HydrophobicContact CG-CE1 4.33Å; W578-F652 HydrophobicContact CH2-CB 4.23Å; W578-F652 HydrophobicContact CH2-CD1 4.25Å; W578-F652 AromaticContact CH2-CD2 3.95Å; W578-F652 HydrophobicContact CH2-CD2 3.95Å; W578-F652 HydrophobicContact CH2-CE2 4.35Å; W578-F652 AromaticContact CH2-CG 3.89Å; W578-F652 HydrophobicContact CH2-CG 3.89Å; W578-F652 HydrophobicContact CZ2-CB 3.98Å; W578-F652 HydrophobicContact CZ2-CD1 4.18Å; W578-F652 HydrophobicContact CZ2-CD2 4.49Å; W578-F652 AromaticContact CZ2-CG 3.98Å; W578-F652 HydrophobicContact CZ2-CG 3.98Å; W578-F652 HydrophobicContact CZ3-CD1 4.01Å; W578-F652 AromaticContact CZ3-CD2 3.86Å; W578-F652 HydrophobicContact CZ3-CD2 3.86Å; W578-F652 AromaticContact CZ3-CE1 3.98Å; W578-F652 HydrophobicContact CZ3-CE1 3.98Å; W578-F652 AromaticContact CZ3-CE2 3.8Å; W578-F652 HydrophobicContact CZ3-CE2 3.8Å; W578-F652 AromaticContact CZ3-CG 3.96Å; W578-F652 HydrophobicContact CZ3-CG 3.96Å; W578-F652 AromaticContact CZ3-CZ 3.87Å; W578-F652 HydrophobicContact CZ3-CZ 3.87Å; W578-V658 VanDerWaalsContact CD1-CG2 3.41Å; W578-V658 VanDerWaalsContact NE1-CG2 3.29Å; W578-L664 HydrophobicContact CD2-CD2 4.49Å; W578-L664 HydrophobicContact CZ2-CD2 4.03Å; W578-V667 HydrophobicContact CB-CG1 4.15Å; W578-V667 HydrophobicContact CE3-CG1 4.3Å
579	E	81.2	Confident	83.6	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.8	-171.4	66.8	-153.8	0	0	110	E549 L572 C576 A581 I582 R583 R670	E549-E579 HydrophobicContact CG-CG 4.41Å; L572-E579 HydrophobicContact CD2-CB 4.27Å; L572-E579 HydrophobicContact CD2-CG 3.8Å; C576-E579 HydrophobicContact CB-CB 3.91Å; C576-E579 PolarHBondContact O-N 2.96Å; C576-E579 VanDerWaalsContact SG-CB 3.59Å; C576-E579 PolarHBondContact SG-N 3.33Å; E579-A581 VanDerWaalsContact C-N 3.28Å; E579-A581 PolarHBondContact O-N 3.25Å; E579-I582 PolarHBondContact O-N 3.41Å; E579-R583 HydrophobicContact CG-CG 4.23Å; E579-R583 VanDerWaalsContact O-CG 3.25Å; E579-R583 WeakPolarHBondContact O-CG 3.34Å; E579-R583 PolarHBondContact O-N 2.86Å; E579-R583 IonicContact OE1-CZ 2.79Å; E579-R583 IonicContact OE1-NE 2.7Å; E579-R583 PolarHBondContact OE1-NE 2.94Å; E579-R583 IonicContact OE1-NH2 3.55Å; E579-R670 IonicContact OE1-CZ 3.26Å; E579-R670 IonicContact OE1-NH1 3.86Å; E579-R670 PolarHBondContact OE1-NH1 3.23Å; E579-R670 IonicContact OE1-NH2 3.62Å; E579-R670 PolarHBondContact OE1-NH2 2.62Å; E579-R670 IonicContact OE2-CZ 2.75Å; E579-R670 IonicContact OE2-NH1 3.94Å; E579-R670 PolarHBondContact OE2-NH1 3.2Å; E579-R670 IonicContact OE2-NH2 3.43Å
580	S	84.9	Confident	83.4	Confident	5 Å²	5	38.1 Å²	38.1	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-37.5	178.3	76.9	0	0	0	0	113	V569 C576 P577 W578 R583 Q584	V569-S580 WeakPolarHBondContact CG1-O 2.8Å; C576-S580 PolarHBondContact O-N 2.87Å; P577-S580 WeakPolarHBondContact CA-OG 3.29Å; P577-S580 PolarHBondContact O-N 3.23Å; P577-S580 PolarHBondContact O-OG 3.11Å; W578-S580 VanDerWaalsContact C-N 3.31Å; W578-S580 PolarHBondContact O-N 2.88Å; S580-R583 PolarHBondContact O-N 3.29Å; S580-Q584 WeakPolarHBondContact O-CB 3.34Å; S580-Q584 PolarHBondContact O-N 2.84Å
581	A	85.3	Confident	83.2	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-42.7	179.2	0	0	0	0	0	112	P577 W578 E579 R583 Q584 A585 I604 P650 F652	P577-A581 PolarHBondContact O-N 2.97Å; W578-A581 PolarHBondContact O-N 3.19Å; E579-A581 VanDerWaalsContact C-N 3.28Å; E579-A581 PolarHBondContact O-N 3.25Å; A581-R583 VanDerWaalsContact C-N 3.35Å; A581-Q584 PolarHBondContact O-N 3.32Å; A581-A585 PolarHBondContact O-N 3.19Å; A581-I604 HydrophobicContact CB-CD1 3.71Å; A581-I604 HydrophobicContact CB-CG1 4Å; A581-P650 HydrophobicContact CB-CB 4.37Å; A581-P650 HydrophobicContact CB-CG 3.87Å; A581-F652 HydrophobicContact CB-CE1 3.92Å; A581-F652 HydrophobicContact CB-CZ 3.75Å
582	I	86.5	Confident	83	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-46.7	173.5	-68.4	178.9	0	0	0	110.1	W578 E579 Q584 A585 E586 I604 V667 R670	W578-I582 PolarHBondContact O-N 2.78Å; E579-I582 PolarHBondContact O-N 3.41Å; I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 2.81Å; I582-A585 WeakPolarHBondContact O-CB 3.27Å; I582-A585 PolarHBondContact O-N 3.46Å; I582-A585 VanDerWaalsContact O-N 3.1Å; I582-E586 PolarHBondContact O-N 3.12Å; I582-I604 HydrophobicContact CG1-CD1 3.99Å; I582-V667 HydrophobicContact CD1-CB 4.44Å; I582-V667 HydrophobicContact CD1-CG1 3.61Å; I582-R670 HydrophobicContact CD1-CB 4.22Å
583	R	87	Confident	83.1	Confident	23 Å²	23	41.2 Å²	41.2	9%	0.087	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-33.3	179.2	-62.2	-58.3	-174.9	161.9	8.8	112.8	L552 V569 L572 E579 S580 A581 A585 E586 V587	L552-R583 HydrophobicContact CD2-CB 3.69Å; L552-R583 HydrophobicContact CD2-CG 3.75Å; V569-R583 HydrophobicContact CG2-CB 4.02Å; L572-R583 HydrophobicContact CD2-CG 4.13Å; E579-R583 HydrophobicContact CG-CG 4.23Å; E579-R583 VanDerWaalsContact O-CG 3.25Å; E579-R583 WeakPolarHBondContact O-CG 3.34Å; E579-R583 PolarHBondContact O-N 2.86Å; E579-R583 IonicContact OE1-CZ 2.79Å; E579-R583 IonicContact OE1-NE 2.7Å; E579-R583 PolarHBondContact OE1-NE 2.94Å; E579-R583 IonicContact OE1-NH2 3.55Å; S580-R583 PolarHBondContact O-N 3.29Å; A581-R583 VanDerWaalsContact C-N 3.35Å; R583-A585 VanDerWaalsContact C-N 3.33Å; R583-E586 WeakPolarHBondContact CD-OE2 3.13Å; R583-E586 IonicContact CZ-OE2 2.83Å; R583-E586 IonicContact NE-OE2 3.23Å; R583-E586 IonicContact NH1-OE1 3.44Å; R583-E586 IonicContact NH1-OE2 3.5Å; R583-E586 PolarHBondContact NH1-OE2 3.3Å; R583-E586 WeakPolarHBondContact O-CB 3.13Å; R583-E586 PolarHBondContact O-N 2.54Å; R583-V587 WeakPolarHBondContact O-CG2 2.9Å; R583-V587 PolarHBondContact O-N 3.36Å
584	Q	88.2	Confident	83.2	Confident	33 Å²	33	38.7 Å²	38.7	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-43	170.9	-170	65	42.7	0	0	111	D566 V569 S580 A581 I582 E586 V587 E588 I600	D566-Q584 PolarHBondContact OD1-NE2 3.22Å; V569-Q584 HydrophobicContact CG1-CB 4.09Å; V569-Q584 VanDerWaalsContact CG1-OE1 3.27Å; S580-Q584 WeakPolarHBondContact O-CB 3.34Å; S580-Q584 PolarHBondContact O-N 2.84Å; A581-Q584 PolarHBondContact O-N 3.32Å; I582-Q584 VanDerWaalsContact C-N 3.32Å; I582-Q584 PolarHBondContact O-N 2.81Å; Q584-E586 VanDerWaalsContact C-N 3.31Å; Q584-E586 PolarHBondContact O-N 3.46Å; Q584-V587 PolarHBondContact O-N 2.92Å; Q584-E588 HydrophobicContact CG-CG 4.41Å; Q584-E588 PolarHBondContact NE2-OE1 3.32Å; Q584-E588 VanDerWaalsContact O-CG 3.31Å; Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 2.98Å; Q584-I600 HydrophobicContact CG-CD1 4.14Å
585	A	86.5	Confident	83.5	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-42	176	0	0	0	0	0	111.6	A581 I582 R583 E588 Q589 T597 I600 L601	A581-A585 PolarHBondContact O-N 3.19Å; I582-A585 WeakPolarHBondContact O-CB 3.27Å; I582-A585 PolarHBondContact O-N 3.46Å; I582-A585 VanDerWaalsContact O-N 3.1Å; R583-A585 VanDerWaalsContact C-N 3.33Å; A585-E588 PolarHBondContact O-N 3.42Å; A585-Q589 WeakPolarHBondContact O-CB 3.35Å; A585-Q589 PolarHBondContact O-N 3.04Å; A585-T597 HydrophobicContact CB-CG2 4.21Å; A585-T597 PolarHBondContact O-OG1 2.99Å; A585-I600 HydrophobicContact CB-CB 4.28Å; A585-I600 HydrophobicContact CB-CG2 3.93Å; A585-L601 HydrophobicContact CB-CD2 3.84Å; A585-L601 HydrophobicContact CB-CG 3.95Å
586	E	85.8	Confident	84	Confident	51 Å²	51	34.4 Å²	34.4	24%	0.238	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-44.4	174.6	-68.3	173.4	-170	0	0	112.2	L556 I582 R583 Q584 Q589 K590	L556-E586 HydrophobicContact CD1-CB 4.33Å; L556-E586 WeakPolarHBondContact CD1-OE2 2.82Å; I582-E586 PolarHBondContact O-N 3.12Å; R583-E586 WeakPolarHBondContact CD-OE2 3.13Å; R583-E586 IonicContact CZ-OE2 2.83Å; R583-E586 IonicContact NE-OE2 3.23Å; R583-E586 IonicContact NH1-OE1 3.44Å; R583-E586 IonicContact NH1-OE2 3.5Å; R583-E586 PolarHBondContact NH1-OE2 3.3Å; R583-E586 WeakPolarHBondContact O-CB 3.13Å; R583-E586 PolarHBondContact O-N 2.54Å; Q584-E586 VanDerWaalsContact C-N 3.31Å; Q584-E586 PolarHBondContact O-N 3.46Å; E586-Q589 PolarHBondContact O-N 3.42Å; E586-K590 WeakPolarHBondContact O-CG 3.33Å; E586-K590 PolarHBondContact O-N 3.46Å
587	V	86.8	Confident	84.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-46.2	176.7	173.4	0	0	0	0	111	L556 C565 V569 R583 Q584 Q589 K590 R591	L556-V587 HydrophobicContact CD2-CB 4.45Å; L556-V587 HydrophobicContact CD2-CG2 3.68Å; C565-V587 HydrophobicContact CB-CG1 4.33Å; C565-V587 HydrophobicContact CB-CG2 3.62Å; V569-V587 HydrophobicContact CG2-CG2 4.22Å; R583-V587 WeakPolarHBondContact O-CG2 2.9Å; R583-V587 PolarHBondContact O-N 3.36Å; Q584-V587 PolarHBondContact O-N 2.92Å; V587-Q589 VanDerWaalsContact C-N 3.32Å; V587-Q589 PolarHBondContact O-N 3.5Å; V587-K590 WeakPolarHBondContact O-CB 3.29Å; V587-K590 PolarHBondContact O-N 2.89Å; V587-R591 WeakPolarHBondContact O-CG 3.28Å; V587-R591 PolarHBondContact O-N 2.92Å
588	E	85.3	Confident	84.9	Confident	10 Å²	10	35.5 Å²	35.5	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-31.9	-179	-66.6	-63	146.9	0	0	112.3	Q584 A585 K590 R591 G592 N593 Y596 I600	Q584-E588 HydrophobicContact CG-CG 4.41Å; Q584-E588 PolarHBondContact NE2-OE1 3.32Å; Q584-E588 VanDerWaalsContact O-CG 3.31Å; Q584-E588 WeakPolarHBondContact O-CG 3.32Å; Q584-E588 PolarHBondContact O-N 2.98Å; A585-E588 PolarHBondContact O-N 3.42Å; E588-K590 VanDerWaalsContact C-N 3.34Å; E588-R591 WeakPolarHBondContact O-CB 3.47Å; E588-R591 PolarHBondContact O-N 3.07Å; E588-R591 IonicContact OE1-CZ 3.66Å; E588-R591 IonicContact OE1-NE 3.54Å; E588-R591 IonicContact OE1-NH1 3.57Å; E588-R591 PolarHBondContact OE1-NH1 2.85Å; E588-G592 PolarHBondContact O-N 3.3Å; E588-G592 VanDerWaalsContact O-N 3.14Å; E588-N593 HydrophobicContact CB-CB 4.41Å; E588-N593 PolarHBondContact O-N 3.43Å; E588-N593 PolarHBondContact OE2-ND2 3.19Å; E588-Y596 HydrophobicContact CB-CD1 3.97Å; E588-Y596 HydrophobicContact CG-CD1 3.45Å; E588-Y596 VanDerWaalsContact CG-CD1 3.45Å; E588-Y596 HydrophobicContact CG-CE1 3.59Å; E588-I600 HydrophobicContact CG-CD1 4.5Å
589	Q	84.6	Confident	85	Confident	57 Å²	57	37.1 Å²	37.1	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-41.7	171.8	-168.7	-177.2	6.7	0	0	110.8	A585 E586 V587 R591 G592 T597 L678	A585-Q589 WeakPolarHBondContact O-CB 3.35Å; A585-Q589 PolarHBondContact O-N 3.04Å; E586-Q589 PolarHBondContact O-N 3.42Å; V587-Q589 VanDerWaalsContact C-N 3.32Å; V587-Q589 PolarHBondContact O-N 3.5Å; Q589-R591 VanDerWaalsContact C-N 3.3Å; Q589-R591 PolarHBondContact O-N 3Å; Q589-G592 PolarHBondContact O-N 3.23Å; Q589-T597 WeakPolarHBondContact CA-OG1 3.18Å; Q589-T597 HydrophobicContact CB-CG2 3.99Å; Q589-T597 HydrophobicContact CG-CG2 4.45Å; Q589-T597 PolarHBondContact N-OG1 3.15Å; Q589-T597 VanDerWaalsContact N-OG1 3.09Å; Q589-L678 HydrophobicContact CG-CD1 4.35Å
590	K	81.6	Confident	85.2	Confident	96 Å²	96	36.6 Å²	36.6	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-30.7	174.6	-67.7	-69.5	-172.5	177.3	0	112.7	L556 L562 E586 V587 E588 G592	L556-K590 HydrophobicContact CD2-CG 4.35Å; L562-K590 HydrophobicContact CD2-CB 4.02Å; E586-K590 WeakPolarHBondContact O-CG 3.33Å; E586-K590 PolarHBondContact O-N 3.46Å; V587-K590 WeakPolarHBondContact O-CB 3.29Å; V587-K590 PolarHBondContact O-N 2.89Å; E588-K590 VanDerWaalsContact C-N 3.34Å; K590-G592 PolarHBondContact O-N 3.03Å
591	R	82.4	Confident	85.4	Confident	91 Å²	91	36.5 Å²	36.5	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-70.1	-19.8	171.5	-69.2	175.3	176.4	178.6	-4.3	113.1	L562 D566 V587 E588 Q589	L562-R591 HydrophobicContact CD1-CG 3.67Å; L562-R591 PolarHBondContact O-NH2 3.07Å; D566-R591 IonicContact OD1-CZ 3.28Å; D566-R591 IonicContact OD1-NH1 2.85Å; D566-R591 IonicContact OD1-NH2 4Å; D566-R591 PolarHBondContact OD1-NH2 3.18Å; D566-R591 IonicContact OD2-CZ 3.42Å; D566-R591 IonicContact OD2-NH1 3.68Å; D566-R591 PolarHBondContact OD2-NH1 3.2Å; D566-R591 IonicContact OD2-NH2 2.86Å; D566-R591 PolarHBondContact OD2-NH2 3.47Å; V587-R591 WeakPolarHBondContact O-CG 3.28Å; V587-R591 PolarHBondContact O-N 2.92Å; E588-R591 WeakPolarHBondContact O-CB 3.47Å; E588-R591 PolarHBondContact O-N 3.07Å; E588-R591 IonicContact OE1-CZ 3.66Å; E588-R591 IonicContact OE1-NE 3.54Å; E588-R591 IonicContact OE1-NH1 3.57Å; E588-R591 PolarHBondContact OE1-NH1 2.85Å; Q589-R591 VanDerWaalsContact C-N 3.3Å; Q589-R591 PolarHBondContact O-N 3Å
592	G	81.3	Confident	85.5	Confident	43 Å²	43	40.3 Å²	40.3	44%	0.443	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	11.9	-174.1	0	0	0	0	0	114	E588 Q589 K590 V594	E588-G592 PolarHBondContact O-N 3.3Å; E588-G592 VanDerWaalsContact O-N 3.14Å; Q589-G592 PolarHBondContact O-N 3.23Å; K590-G592 PolarHBondContact O-N 3.03Å; G592-V594 PolarHBondContact O-N 3.35Å
593	N	84.8	Confident	85.5	Confident	78 Å²	78	43.4 Å²	43.4	42%	0.417	22%	0.215	S	C	.	.			trans	-81.6	64.6	178.3	-71	-20.6	0	0	0	111.1	E588 S595 Y596 T597	E588-N593 HydrophobicContact CB-CB 4.41Å; E588-N593 PolarHBondContact O-N 3.43Å; E588-N593 PolarHBondContact OE2-ND2 3.19Å; N593-S595 VanDerWaalsContact C-N 3.34Å; N593-S595 PolarHBondContact O-N 3.01Å; N593-Y596 PolarHBondContact O-N 3Å; N593-Y596 VanDerWaalsContact O-N 3.13Å; N593-T597 PolarHBondContact O-N 2.84Å; N593-T597 PolarHBondContact O-OG1 2.51Å
594	V	85	Confident	85.4	Confident	31 Å²	31	42.3 Å²	42.3	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-37.8	-170.1	177.2	0	0	0	0	113.5	G592 T597 H598 L678 L682	G592-V594 PolarHBondContact O-N 3.35Å; V594-T597 PolarHBondContact O-N 3.26Å; V594-H598 WeakPolarHBondContact O-CB 3.27Å; V594-H598 PolarHBondContact O-N 3.32Å; V594-L678 HydrophobicContact CB-CD1 4.48Å; V594-L678 HydrophobicContact CG1-CD1 3.67Å; V594-L678 HydrophobicContact CG1-CD2 4.22Å; V594-L678 HydrophobicContact CG1-CG 4Å; V594-L678 HydrophobicContact CG2-CD1 4.45Å; V594-L682 HydrophobicContact CG1-CD1 3.41Å; V594-L682 VanDerWaalsContact CG1-CD1 3.41Å; V594-L682 HydrophobicContact CG1-CD2 3.71Å; V594-L682 HydrophobicContact CG1-CG 3.84Å
595	S	84.3	Confident	85.3	Confident	83 Å²	83	40.8 Å²	40.8	58%	0.58	20%	0.204	S	C	*	.	H	α-helix	trans	-61.8	-45.5	176.4	52.6	0	0	0	0	111.4	N593 H598 D599	N593-S595 VanDerWaalsContact C-N 3.34Å; N593-S595 PolarHBondContact O-N 3.01Å; S595-H598 WeakPolarHBondContact O-CB 3.27Å; S595-H598 PolarHBondContact O-N 3.22Å; S595-D599 VanDerWaalsContact O-CG 3.23Å; S595-D599 PolarHBondContact O-N 3.45Å
596	Y	83.9	Confident	85.2	Confident	53 Å²	53	44.3 Å²	44.3	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-68.6	-39.5	-179.3	-173.9	-134.2	0	0	0	112.1	E588 N593 H598 D599 I600 L647	E588-Y596 HydrophobicContact CB-CD1 3.97Å; E588-Y596 HydrophobicContact CG-CD1 3.45Å; E588-Y596 VanDerWaalsContact CG-CD1 3.45Å; E588-Y596 HydrophobicContact CG-CE1 3.59Å; N593-Y596 PolarHBondContact O-N 3Å; N593-Y596 VanDerWaalsContact O-N 3.13Å; Y596-H598 VanDerWaalsContact C-N 3.33Å; Y596-H598 PolarHBondContact O-N 3.33Å; Y596-D599 PolarHBondContact O-N 3.03Å; Y596-I600 HydrophobicContact CD1-CD1 3.88Å; Y596-I600 HydrophobicContact CD2-CD1 4.13Å; Y596-I600 HydrophobicContact CD2-CG1 4.18Å; Y596-I600 HydrophobicContact CE1-CD1 3.57Å; Y596-I600 HydrophobicContact CE1-CG1 4.49Å; Y596-I600 HydrophobicContact CE2-CD1 3.8Å; Y596-I600 HydrophobicContact CE2-CG1 3.82Å; Y596-I600 HydrophobicContact CG-CD1 4.15Å; Y596-I600 WeakPolarHBondContact O-CG1 3.15Å; Y596-I600 PolarHBondContact O-N 2.9Å; Y596-L647 HydrophobicContact CD2-CD1 4Å; Y596-L647 HydrophobicContact CD2-CD2 3.62Å; Y596-L647 HydrophobicContact CD2-CG 4.42Å; Y596-L647 HydrophobicContact CE2-CD1 4.17Å; Y596-L647 HydrophobicContact CE2-CD2 3.42Å; Y596-L647 VanDerWaalsContact CE2-CD2 3.42Å; Y596-L647 HydrophobicContact CE2-CG 4.25Å
597	T	85.9	Confident	85	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-46.8	171.5	-58.5	0	0	0	0	111.3	A585 Q589 N593 V594 D599 I600 L601 L678	A585-T597 HydrophobicContact CB-CG2 4.21Å; A585-T597 PolarHBondContact O-OG1 2.99Å; Q589-T597 WeakPolarHBondContact CA-OG1 3.18Å; Q589-T597 HydrophobicContact CB-CG2 3.99Å; Q589-T597 HydrophobicContact CG-CG2 4.45Å; Q589-T597 PolarHBondContact N-OG1 3.15Å; Q589-T597 VanDerWaalsContact N-OG1 3.09Å; N593-T597 PolarHBondContact O-N 2.84Å; N593-T597 PolarHBondContact O-OG1 2.51Å; V594-T597 PolarHBondContact O-N 3.26Å; T597-D599 PolarHBondContact O-N 3.4Å; T597-I600 PolarHBondContact O-N 3.13Å; T597-L601 HydrophobicContact CG2-CD1 3.9Å; T597-L601 HydrophobicContact CG2-CG 4.43Å; T597-L601 WeakPolarHBondContact O-CB 3.28Å; T597-L601 VanDerWaalsContact O-CG 3.27Å; T597-L601 WeakPolarHBondContact O-CG 3.27Å; T597-L601 PolarHBondContact O-N 3.46Å; T597-L678 HydrophobicContact CG2-CD1 4.34Å; T597-L678 HydrophobicContact CG2-CD2 3.91Å
598	H	89.2	Confident	84.8	Confident	66 Å²	66	42.9 Å²	42.9	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-58.8	-47.7	177.7	175.1	-82.7	0	0	0	111.5	V594 S595 Y596 I600 L601 R602 L678	V594-H598 WeakPolarHBondContact O-CB 3.27Å; V594-H598 PolarHBondContact O-N 3.32Å; S595-H598 WeakPolarHBondContact O-CB 3.27Å; S595-H598 PolarHBondContact O-N 3.22Å; Y596-H598 VanDerWaalsContact C-N 3.33Å; Y596-H598 PolarHBondContact O-N 3.33Å; H598-I600 PolarHBondContact O-N 3.27Å; H598-L601 PolarHBondContact O-N 3.21Å; H598-R602 WeakPolarHBondContact O-CB 3.16Å; H598-R602 PolarHBondContact O-N 2.95Å; H598-L678 HydrophobicContact CB-CD2 3.82Å
599	D	84.5	Confident	84.5	Confident	37 Å²	37	44.6 Å²	44.6	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-41.2	-177.7	-64.2	-18.8	0	0	0	112.1	S595 Y596 T597 Y603	S595-D599 VanDerWaalsContact O-CG 3.23Å; S595-D599 PolarHBondContact O-N 3.45Å; Y596-D599 PolarHBondContact O-N 3.03Å; T597-D599 PolarHBondContact O-N 3.4Å; D599-Y603 WeakPolarHBondContact O-CB 3.37Å; D599-Y603 PolarHBondContact O-N 3.01Å
600	I	85.1	Confident	84.1	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-49.7	174.4	-66.7	162.9	0	0	0	110.5	Q584 A585 E588 Y596 T597 H598 R602 Y603 I604	Q584-I600 HydrophobicContact CG-CD1 4.14Å; A585-I600 HydrophobicContact CB-CB 4.28Å; A585-I600 HydrophobicContact CB-CG2 3.93Å; E588-I600 HydrophobicContact CG-CD1 4.5Å; Y596-I600 HydrophobicContact CD1-CD1 3.88Å; Y596-I600 HydrophobicContact CD2-CD1 4.13Å; Y596-I600 HydrophobicContact CD2-CG1 4.18Å; Y596-I600 HydrophobicContact CE1-CD1 3.57Å; Y596-I600 HydrophobicContact CE1-CG1 4.49Å; Y596-I600 HydrophobicContact CE2-CD1 3.8Å; Y596-I600 HydrophobicContact CE2-CG1 3.82Å; Y596-I600 HydrophobicContact CG-CD1 4.15Å; Y596-I600 WeakPolarHBondContact O-CG1 3.15Å; Y596-I600 PolarHBondContact O-N 2.9Å; T597-I600 PolarHBondContact O-N 3.13Å; H598-I600 PolarHBondContact O-N 3.27Å; I600-R602 VanDerWaalsContact C-N 3.34Å; I600-R602 PolarHBondContact O-N 3.48Å; I600-Y603 PolarHBondContact O-N 3.45Å; I600-I604 HydrophobicContact CG2-CD1 3.78Å; I600-I604 HydrophobicContact CG2-CG1 4.4Å; I600-I604 VanDerWaalsContact O-CG1 3.26Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 2.88Å
601	L	88.8	Confident	83.7	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-43.2	-178	-71.2	173.9	0	0	0	111.3	A585 T597 H598 I604 I605 A671 A674 L675 L678	A585-L601 HydrophobicContact CB-CD2 3.84Å; A585-L601 HydrophobicContact CB-CG 3.95Å; T597-L601 HydrophobicContact CG2-CD1 3.9Å; T597-L601 HydrophobicContact CG2-CG 4.43Å; T597-L601 WeakPolarHBondContact O-CB 3.28Å; T597-L601 VanDerWaalsContact O-CG 3.27Å; T597-L601 WeakPolarHBondContact O-CG 3.27Å; T597-L601 PolarHBondContact O-N 3.46Å; H598-L601 PolarHBondContact O-N 3.21Å; L601-I604 PolarHBondContact O-N 2.88Å; L601-I605 WeakPolarHBondContact O-CG1 3.48Å; L601-I605 PolarHBondContact O-N 3.39Å; L601-A671 HydrophobicContact CD2-CB 4.44Å; L601-A674 HydrophobicContact CD1-CB 3.98Å; L601-A674 HydrophobicContact CD2-CB 4Å; L601-L675 HydrophobicContact CD1-CB 4.26Å; L601-L678 HydrophobicContact CD1-CD2 4.49Å
602	R	88.4	Confident	83.2	Confident	84 Å²	84	39.1 Å²	39.1	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-43.2	177.9	-168.3	63.3	-178	-162.4	0.9	111.7	H598 I600 I604 I605 D606 E691	H598-R602 WeakPolarHBondContact O-CB 3.16Å; H598-R602 PolarHBondContact O-N 2.95Å; I600-R602 VanDerWaalsContact C-N 3.34Å; I600-R602 PolarHBondContact O-N 3.48Å; R602-I604 VanDerWaalsContact C-N 3.32Å; R602-I604 PolarHBondContact O-N 3.17Å; R602-I605 PolarHBondContact O-N 3.39Å; R602-D606 IonicContact NE-OD1 3.26Å; R602-D606 PolarHBondContact NE-OD1 2.98Å; R602-D606 IonicContact NE-OD2 2.7Å; R602-D606 WeakPolarHBondContact O-CB 3.06Å; R602-D606 VanDerWaalsContact O-CG 3.28Å; R602-D606 PolarHBondContact O-N 3.03Å; R602-E691 IonicContact CZ-OE1 3.63Å; R602-E691 IonicContact NH1-OE1 2.78Å; R602-E691 PolarHBondContact NH1-OE1 2.72Å; R602-E691 IonicContact NH1-OE2 3.6Å
603	Y	85.8	Confident	82.5	Confident	69 Å²	69	41.5 Å²	41.5	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-38.8	175.6	176.2	-102.3	0	0	0	112.8	D599 I600 S607 L649 P650 F652	D599-Y603 WeakPolarHBondContact O-CB 3.37Å; D599-Y603 PolarHBondContact O-N 3.01Å; I600-Y603 PolarHBondContact O-N 3.45Å; Y603-S607 WeakPolarHBondContact O-CB 3.43Å; Y603-S607 PolarHBondContact O-N 2.8Å; Y603-S607 PolarHBondContact O-OG 2.96Å; Y603-L649 HydrophobicContact CD1-CB 4.27Å; Y603-L649 HydrophobicContact CD1-CD2 3.9Å; Y603-L649 HydrophobicContact CD2-CD1 3.83Å; Y603-L649 HydrophobicContact CD2-CD2 4.27Å; Y603-L649 HydrophobicContact CD2-CG 4.46Å; Y603-L649 HydrophobicContact CE1-CB 3.94Å; Y603-L649 HydrophobicContact CE1-CD2 4.43Å; Y603-L649 HydrophobicContact CE2-CB 4.3Å; Y603-L649 HydrophobicContact CE2-CD1 3.96Å; Y603-L649 HydrophobicContact CG-CD1 4.22Å; Y603-L649 HydrophobicContact CG-CD2 3.79Å; Y603-L649 HydrophobicContact CG-CG 4.42Å; Y603-P650 HydrophobicContact CD1-CG 4.23Å; Y603-P650 HydrophobicContact CE1-CG 3.99Å; Y603-P650 VanDerWaalsContact CE1-O 3.23Å; Y603-P650 WeakPolarHBondContact CE1-O 3.24Å; Y603-P650 PolarHBondContact OH-O 3.4Å; Y603-F652 AromaticContact CD1-CE2 3.88Å; Y603-F652 HydrophobicContact CD1-CE2 3.88Å; Y603-F652 AromaticContact CE1-CD2 3.94Å; Y603-F652 HydrophobicContact CE1-CD2 3.94Å; Y603-F652 AromaticContact CE1-CE2 3.42Å; Y603-F652 HydrophobicContact CE1-CE2 3.42Å; Y603-F652 VanDerWaalsContact CE1-CE2 3.42Å; Y603-F652 HydrophobicContact CE1-CZ 4.36Å
604	I	84.8	Confident	81.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-50	173.3	-68.8	162.9	0	0	0	110.2	W578 A581 I582 I600 L601 R602 S607 I608 F652 V667 A671	W578-I604 HydrophobicContact CE3-CG2 4.3Å; W578-I604 HydrophobicContact CZ3-CG2 4.29Å; A581-I604 HydrophobicContact CB-CD1 3.71Å; A581-I604 HydrophobicContact CB-CG1 4Å; I582-I604 HydrophobicContact CG1-CD1 3.99Å; I600-I604 HydrophobicContact CG2-CD1 3.78Å; I600-I604 HydrophobicContact CG2-CG1 4.4Å; I600-I604 VanDerWaalsContact O-CG1 3.26Å; I600-I604 WeakPolarHBondContact O-CG1 3.43Å; I600-I604 PolarHBondContact O-N 2.88Å; L601-I604 PolarHBondContact O-N 2.88Å; R602-I604 VanDerWaalsContact C-N 3.32Å; R602-I604 PolarHBondContact O-N 3.17Å; I604-S607 PolarHBondContact O-N 3.05Å; I604-I608 HydrophobicContact CG2-CD1 3.73Å; I604-I608 VanDerWaalsContact O-CG1 3.28Å; I604-I608 WeakPolarHBondContact O-CG1 3.15Å; I604-I608 PolarHBondContact O-N 2.93Å; I604-F652 HydrophobicContact CG1-CZ 4.03Å; I604-V667 HydrophobicContact CG2-CG1 4.39Å; I604-A671 HydrophobicContact CG2-CB 4Å
605	I	86.5	Confident	80.1	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-53.1	-179.3	-69.1	162.8	0	0	0	110.5	L601 R602 S607 I608 I609 A671 L675	L601-I605 WeakPolarHBondContact O-CG1 3.48Å; L601-I605 PolarHBondContact O-N 3.39Å; R602-I605 PolarHBondContact O-N 3.39Å; I605-S607 VanDerWaalsContact C-N 3.27Å; I605-S607 PolarHBondContact O-N 3.14Å; I605-I608 PolarHBondContact O-N 3.04Å; I605-I608 VanDerWaalsContact O-N 3.07Å; I605-I609 HydrophobicContact CG2-CD1 3.6Å; I605-I609 HydrophobicContact CG2-CG1 4.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.48Å; I605-I609 PolarHBondContact O-N 2.69Å; I605-A671 HydrophobicContact CD1-CB 4.32Å; I605-A671 HydrophobicContact CG1-CB 3.84Å; I605-L675 HydrophobicContact CD1-CD2 3.73Å
606	D	84.8	Confident	78.5	Confident	75 Å²	75	39.8 Å²	39.8	40%	0.401	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-38.4	-178.8	-65.1	-19.8	0	0	0	111.2	R602 I609 A610	R602-D606 IonicContact NE-OD1 3.26Å; R602-D606 PolarHBondContact NE-OD1 2.98Å; R602-D606 IonicContact NE-OD2 2.7Å; R602-D606 WeakPolarHBondContact O-CB 3.06Å; R602-D606 VanDerWaalsContact O-CG 3.28Å; R602-D606 PolarHBondContact O-N 3.03Å; D606-I609 PolarHBondContact O-N 3.29Å; D606-A610 WeakPolarHBondContact O-CB 3.49Å; D606-A610 PolarHBondContact O-N 3.46Å
607	S	82.3	Confident	76.3	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-36.5	175.3	-64.9	0	0	0	0	113.1	Y603 I604 I605 R611	Y603-S607 WeakPolarHBondContact O-CB 3.43Å; Y603-S607 PolarHBondContact O-N 2.8Å; Y603-S607 PolarHBondContact O-OG 2.96Å; I604-S607 PolarHBondContact O-N 3.05Å; I605-S607 VanDerWaalsContact C-N 3.27Å; I605-S607 PolarHBondContact O-N 3.14Å; S607-R611 VanDerWaalsContact O-CD 3.31Å; S607-R611 WeakPolarHBondContact O-CD 3.48Å; S607-R611 VanDerWaalsContact O-CG 3.23Å; S607-R611 WeakPolarHBondContact O-CG 3.37Å; S607-R611 PolarHBondContact O-N 3.43Å
608	I	80.6	Confident	74	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-74	-42.9	177.2	-65.5	165.8	0	0	0	110.4	W578 I604 I605 R611 R612 L664 V667 E668	W578-I608 HydrophobicContact CE3-CD1 4.26Å; W578-I608 HydrophobicContact CE3-CG1 4.12Å; W578-I608 HydrophobicContact CH2-CG1 3.61Å; W578-I608 HydrophobicContact CZ3-CD1 3.95Å; W578-I608 HydrophobicContact CZ3-CG1 3.39Å; I604-I608 HydrophobicContact CG2-CD1 3.73Å; I604-I608 VanDerWaalsContact O-CG1 3.28Å; I604-I608 WeakPolarHBondContact O-CG1 3.15Å; I604-I608 PolarHBondContact O-N 2.93Å; I605-I608 PolarHBondContact O-N 3.04Å; I605-I608 VanDerWaalsContact O-N 3.07Å; I608-R611 PolarHBondContact O-N 3.04Å; I608-R612 WeakPolarHBondContact O-CB 3.46Å; I608-R612 PolarHBondContact O-N 2.92Å; I608-L664 HydrophobicContact CG2-CB 4.27Å; I608-V667 HydrophobicContact CD1-CB 4.19Å; I608-V667 HydrophobicContact CD1-CG1 3.73Å; I608-E668 HydrophobicContact CD1-CB 3.99Å; I608-E668 HydrophobicContact CG2-CB 4.02Å; I608-E668 HydrophobicContact CG2-CG 4.26Å
609	I	80.8	Confident	71.5	Confident	45 Å²	45	42.8 Å²	42.8	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-49.8	177.8	-67.2	171.1	0	0	0	110	I605 D606 R611 R612 D613	I605-I609 HydrophobicContact CG2-CD1 3.6Å; I605-I609 HydrophobicContact CG2-CG1 4.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.48Å; I605-I609 PolarHBondContact O-N 2.69Å; D606-I609 PolarHBondContact O-N 3.29Å; I609-R611 PolarHBondContact O-N 3.43Å; I609-R612 PolarHBondContact O-N 2.79Å; I609-R612 VanDerWaalsContact O-N 3.13Å; I609-D613 WeakPolarHBondContact CG2-OD2 3.48Å; I609-D613 WeakPolarHBondContact O-CB 3.34Å; I609-D613 PolarHBondContact O-N 3.24Å
610	A	76.2	Confident	69.2	Low	61 Å²	61	47.5 Å²	47.5	50%	0.504	25%	0.247	S	C	.	.	H	α-helix	trans	-55.8	-37.7	177.8	0	0	0	0	0	112.6	D606 H614	D606-A610 WeakPolarHBondContact O-CB 3.49Å; D606-A610 PolarHBondContact O-N 3.46Å; A610-H614 WeakPolarHBondContact O-CB 3.24Å; A610-H614 PolarHBondContact O-N 3.43Å; A610-H614 VanDerWaalsContact O-N 3.13Å
611	R	73.1	Confident	66.8	Low	36 Å²	36	55.3 Å²	55.3	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-71.7	-46.1	176.5	-71.7	167.9	-174.4	-121.4	-9.3	112.4	W578 S607 I608 I609 D613 H614 D615 F652 P653	W578-R611 VanDerWaalsContact CZ2-CZ 3.42Å; S607-R611 VanDerWaalsContact O-CD 3.31Å; S607-R611 WeakPolarHBondContact O-CD 3.48Å; S607-R611 VanDerWaalsContact O-CG 3.23Å; S607-R611 WeakPolarHBondContact O-CG 3.37Å; S607-R611 PolarHBondContact O-N 3.43Å; I608-R611 PolarHBondContact O-N 3.04Å; I609-R611 PolarHBondContact O-N 3.43Å; R611-D613 VanDerWaalsContact C-N 3.28Å; R611-D613 PolarHBondContact O-N 2.95Å; R611-H614 PolarHBondContact O-N 2.75Å; R611-D615 WeakPolarHBondContact O-CB 3.43Å; R611-D615 PolarHBondContact O-N 3.36Å; R611-F652 VanDerWaalsContact NH2-C 3.34Å; R611-F652 PolarHBondContact NH2-O 2.86Å; R611-F652 VanDerWaalsContact NH2-O 3.09Å; R611-P653 PolarHBondContact NH1-O 2.89Å; R611-P653 PolarHBondContact NH2-O 2.68Å
612	R	70.5	Confident	64.2	Low	32 Å²	32	57.9 Å²	57.9	12%	0.121	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-38.6	178.8	-176.9	179.7	63.3	-153.2	-5.9	111.2	I608 I609 D615 C616 E668	I608-R612 WeakPolarHBondContact O-CB 3.46Å; I608-R612 PolarHBondContact O-N 2.92Å; I609-R612 PolarHBondContact O-N 2.79Å; I609-R612 VanDerWaalsContact O-N 3.13Å; R612-D615 PolarHBondContact O-N 2.96Å; R612-C616 WeakPolarHBondContact O-CB 3.36Å; R612-C616 PolarHBondContact O-N 2.91Å; R612-C616 PolarHBondContact O-SG 3.21Å; R612-E668 IonicContact CZ-OE1 2.8Å; R612-E668 IonicContact CZ-OE2 2.87Å; R612-E668 IonicContact NH1-OE1 3.28Å; R612-E668 PolarHBondContact NH1-OE1 3.12Å; R612-E668 IonicContact NH1-OE2 3.5Å; R612-E668 PolarHBondContact NH1-OE2 3.4Å; R612-E668 IonicContact NH2-OE1 2.64Å; R612-E668 PolarHBondContact NH2-OE1 2.89Å
613	D	67.4	Low	61.6	Low	93 Å²	93	58.6 Å²	58.6	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-71.6	-37.8	179.4	-68.9	-12.5	0	0	0	111.4	I609 R611 G617	I609-D613 WeakPolarHBondContact CG2-OD2 3.48Å; I609-D613 WeakPolarHBondContact O-CB 3.34Å; I609-D613 PolarHBondContact O-N 3.24Å; R611-D613 VanDerWaalsContact C-N 3.28Å; R611-D613 PolarHBondContact O-N 2.95Å; D613-G617 PolarHBondContact O-N 3.1Å
614	H	63.8	Low	59	Low	128 Å²	128	64 Å²	64	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-45.3	170.7	-174.4	-73.7	0	0	0	111.7	A610 R611	A610-H614 WeakPolarHBondContact O-CB 3.24Å; A610-H614 PolarHBondContact O-N 3.43Å; A610-H614 VanDerWaalsContact O-N 3.13Å; R611-H614 PolarHBondContact O-N 2.75Å
615	D	55.4	Low	56.3	Low	13 Å²	13	72 Å²	72	7%	0.07	38%	0.383	C	S	.	.	H	α-helix	trans	-77.4	-32.6	-178.1	-67.7	-21.3	0	0	0	112.8	S401 R611 R612 L661	S401-D615 WeakPolarHBondContact CB-OD1 3.29Å; S401-D615 PolarHBondContact OG-OD1 3.06Å; S401-D615 VanDerWaalsContact OG-OD1 3.1Å; R611-D615 WeakPolarHBondContact O-CB 3.43Å; R611-D615 PolarHBondContact O-N 3.36Å; R612-D615 PolarHBondContact O-N 2.96Å; D615-L661 HydrophobicContact CB-CD2 4.15Å
616	C	50.4	Low	53.7	Low	16 Å²	16	78.7 Å²	78.7	11%	0.108	42%	0.419	C	S	.	.	H	α-helix	trans	-78.2	-32.8	176.6	-75.1	0	0	0	0	113.2	R612 L618 L619 Q620 R701	R612-C616 WeakPolarHBondContact O-CB 3.36Å; R612-C616 PolarHBondContact O-N 2.91Å; R612-C616 PolarHBondContact O-SG 3.21Å; C616-L618 PolarHBondContact O-N 3.47Å; C616-L619 PolarHBondContact O-N 2.87Å; C616-Q620 PolarHBondContact O-N 2.8Å; C616-Q620 VanDerWaalsContact O-N 3.11Å; C616-R701 PolarHBondContact SG-NH2 2.96Å
617	G	38.5	Very low	51.1	Low	34 Å²	34	83.7 Å²	83.7	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-60.5	-32.2	177.3	0	0	0	0	0	112.6	D613 Q621	D613-G617 PolarHBondContact O-N 3.1Å; G617-Q621 WeakPolarHBondContact O-CG 3.46Å
618	L	38.4	Very low	48.7	Very low	60 Å²	60	89.9 Å²	89.9	31%	0.314	47%	0.471	S	S	.	.	H	α-helix	trans	-77.1	-34.8	175.6	-72.3	163	0	0	0	112.6	S401 C616	S401-L618 WeakPolarHBondContact O-CD1 3.37Å; C616-L618 PolarHBondContact O-N 3.47Å
619	L	36.5	Very low	46.3	Very low	87 Å²	87	96.8 Å²	96.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-70.6	-35.2	178	-73.1	168.1	0	0	0	112.8	C616 S622	C616-L619 PolarHBondContact O-N 2.87Å; L619-S622 PolarHBondContact O-OG 2.79Å
620	Q	34.9	Very low	43.8	Very low	137 Å²	137	103.9 Å²	103.9	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-81.6	-22.9	-177.1	-72.9	-176.6	-4.8	0	0	114.5	C616 S622 T623	C616-Q620 PolarHBondContact O-N 2.8Å; C616-Q620 VanDerWaalsContact O-N 3.11Å; Q620-S622 PolarHBondContact O-N 2.66Å; Q620-S622 VanDerWaalsContact O-N 3.13Å; Q620-T623 PolarHBondContact O-N 2.98Å; Q620-T623 VanDerWaalsContact O-N 3.14Å
621	Q	34.9	Very low	41.5	Very low	166 Å²	166	107.5 Å²	107.5	78%	0.776	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-18.8	176.5	-79.5	-179.5	2.7	0	0	113.4	G617	G617-Q621 WeakPolarHBondContact O-CG 3.46Å
622	S	34.8	Very low	39.4	Very low	56 Å²	56	112.6 Å²	112.6	39%	0.392	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-13.2	177.2	70.3	0	0	0	0	114.5	L619 Q620	L619-S622 PolarHBondContact O-OG 2.79Å; Q620-S622 PolarHBondContact O-N 2.66Å; Q620-S622 VanDerWaalsContact O-N 3.13Å
623	T	32.5	Very low	37.3	Very low	99 Å²	99	119.8 Å²	119.8	61%	0.607	62%	0.615	S	S	*	*	S	Bend	trans	-142.9	102	-177.1	39.4	0	0	0	0	111.5	Q620	Q620-T623 PolarHBondContact O-N 2.98Å; Q620-T623 VanDerWaalsContact O-N 3.14Å
624	K	31.5	Very low	35.5	Very low	183 Å²	183	120.5 Å²	120.5	80%	0.796	63%	0.627	S	S	*	*			trans	94.1	92.4	171.7	-55.9	175.2	178.2	178.3	0	115	N626	K624-N626 PolarHBondContact O-N 2.98Å
625	N	28.7	Very low	33.8	Very low	167 Å²	167	120.9 Å²	120.9	89%	0.893	63%	0.633	S	S	*	*			trans	-49.2	95.3	133.4	-80.4	-16.6	0	0	0	108.2
626	N	32.1	Very low	32.5	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	67%	0.672	S	S	*	*			trans	-154.5	98.3	153.9	-95.6	-15.7	0	0	0	106.9	K624 N628	K624-N626 PolarHBondContact O-N 2.98Å; N626-N628 PolarHBondContact O-N 2.87Å
627	H	30.9	Very low	31.5	Very low	180 Å²	180	135.1 Å²	135.1	83%	0.833	70%	0.701	S	S	*	*			trans	-47.3	131.1	157.3	-70.6	-58.1	0	0	0	109.2
628	N	30.5	Very low	31.3	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	72%	0.722	S	S	*	*			trans	141.3	24.9	156.3	-67.9	-9.6	0	0	0	116.5	N626	N626-N628 PolarHBondContact O-N 2.87Å
629	N	29.9	Very low	30.9	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	74%	0.743	S	S	*	*			trans	-124.2	61.8	161.4	-80.5	-17.2	0	0	0	111.3	L631	N629-L631 PolarHBondContact O-N 3.46Å; N629-L631 VanDerWaalsContact O-N 3.11Å
630	Q	28.9	Very low	30.5	Very low	194 Å²	194	149.1 Å²	149.1	91%	0.907	76%	0.757	S	S	*	*			trans	-73.5	81.9	150.4	-83.3	179.8	-19.3	0	0	107	L632	Q630-L632 PolarHBondContact O-N 3.22Å
631	L	28.7	Very low	30.4	Very low	137 Å²	137	148.1 Å²	148.1	72%	0.717	76%	0.76	S	S	*	*			trans	-95.7	92.9	175.4	-129.1	133	0	0	0	108.3	N629	N629-L631 PolarHBondContact O-N 3.46Å; N629-L631 VanDerWaalsContact O-N 3.11Å
632	L	28.4	Very low	30.3	Very low	143 Å²	143	147.6 Å²	147.6	75%	0.749	76%	0.763	S	S	*	*			trans	64.8	86.8	161.1	-67.7	156.2	0	0	0	116	Q630 S634	Q630-L632 PolarHBondContact O-N 3.22Å; L632-S634 PolarHBondContact O-N 3.36Å
633	Q	26	Very low	30.2	Very low	184 Å²	184	148.2 Å²	148.2	86%	0.86	77%	0.766	S	S	*	*			trans	-47.6	96.6	133.5	-76.5	173.4	-24.4	0	0	108.3	N635	Q633-N635 VanDerWaalsContact C-N 3.29Å; Q633-N635 PolarHBondContact O-N 3.01Å; Q633-N635 VanDerWaalsContact O-N 3.11Å
634	S	30.8	Very low	30.4	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	76%	0.759	S	S	*	*			trans	-80	89.8	164.6	54.2	0	0	0	0	107.9	L632	L632-S634 PolarHBondContact O-N 3.36Å
635	N	27	Very low	30.7	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	75%	0.754	S	S	*	*			trans	44.5	106.1	153.1	-68.4	-12.6	0	0	0	118.1	Q633 L637	Q633-N635 VanDerWaalsContact C-N 3.29Å; Q633-N635 PolarHBondContact O-N 3.01Å; Q633-N635 VanDerWaalsContact O-N 3.11Å; N635-L637 VanDerWaalsContact C-N 3.33Å; N635-L637 PolarHBondContact O-N 3.1Å
636	E	28.5	Very low	31.1	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	75%	0.748	S	S	*	*			trans	-25	91.1	135	-62.5	176.9	156.9	0	0	112.5
637	L	30.2	Very low	31.7	Very low	137 Å²	137	140.4 Å²	140.4	72%	0.717	73%	0.725	S	S	*	*			trans	-137	2.3	167.1	-138.4	100.3	0	0	0	113.8	N635	N635-L637 VanDerWaalsContact C-N 3.33Å; N635-L637 PolarHBondContact O-N 3.1Å
638	W	32.5	Very low	32.9	Very low	206 Å²	206	139.1 Å²	139.1	78%	0.78	72%	0.723	S	S	*	*			trans	-119.5	20.8	-176.7	-73.7	69.5	0	0	0	114	Q640	W638-Q640 VanDerWaalsContact C-N 3.32Å
639	S	29.9	Very low	34.3	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	70%	0.7	S	S	*	*	S	Bend	trans	-87.1	5.9	171.5	56.1	0	0	0	0	114.1
640	Q	29.9	Very low	35.7	Very low	162 Å²	162	128.8 Å²	128.8	76%	0.757	67%	0.669	S	S	*	*	S	Bend	trans	-138.2	121.1	173.7	-66.2	-173.5	-2.2	0	0	110.7	W638	W638-Q640 VanDerWaalsContact C-N 3.32Å
641	T	32.8	Very low	37.1	Very low	115 Å²	115	124.9 Å²	124.9	71%	0.706	66%	0.658	S	S	*	*			trans	79.1	106.9	178.2	71.8	0	0	0	0	115.9	P643	T641-P643 WeakPolarHBondContact O-CD 3.39Å; T641-P643 WeakPolarHBondContact O-CG 3.25Å
642	N	32.7	Very low	38.7	Very low	156 Å²	156	119.2 Å²	119.2	83%	0.834	63%	0.628	S	S	*	*			trans	-69	99.8	154.4	-86	-18.8	0	0	0	106.4	F644	N642-F644 PolarHBondContact O-N 2.97Å
643	P	32.3	Very low	40.2	Very low	69 Å²	69	115.2 Å²	115.2	45%	0.448	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-8.6	-168	-8.1	27.5	0	0	0	112.2	T641	T641-P643 WeakPolarHBondContact O-CD 3.39Å; T641-P643 WeakPolarHBondContact O-CG 3.25Å
644	F	35.9	Very low	41.5	Very low	108 Å²	108	114.1 Å²	114.1	47%	0.474	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-148	69.1	-175.1	-54.7	-68.8	0	0	0	113.1	N642 H646 L647	N642-F644 PolarHBondContact O-N 2.97Å; F644-H646 PolarHBondContact O-N 3.31Å; F644-L647 HydrophobicContact CB-CB 4.5Å; F644-L647 HydrophobicContact CB-CD1 3.43Å; F644-L647 VanDerWaalsContact CB-CD1 3.43Å; F644-L647 HydrophobicContact CB-CG 3.83Å; F644-L647 HydrophobicContact CD2-CD1 4.28Å; F644-L647 HydrophobicContact CG-CD1 3.88Å; F644-L647 PolarHBondContact O-N 2.85Å
645	S	38.3	Very low	42.6	Very low	99 Å²	99	111.8 Å²	111.8	69%	0.692	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	3.7	174	59.2	0	0	0	0	114.8
646	H	38	Very low	43.6	Very low	165 Å²	165	107 Å²	107	76%	0.764	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-6.6	179.7	-39.9	-58	0	0	0	112.9	F644	F644-H646 PolarHBondContact O-N 3.31Å
647	L	44.8	Very low	44.7	Very low	55 Å²	55	101.7 Å²	101.7	29%	0.288	54%	0.54	S	S	.	.			trans	-91.9	114.8	-175.6	-66.6	177	0	0	0	110.4	Y596 F644 L649	Y596-L647 HydrophobicContact CD2-CD1 4Å; Y596-L647 HydrophobicContact CD2-CD2 3.62Å; Y596-L647 HydrophobicContact CD2-CG 4.42Å; Y596-L647 HydrophobicContact CE2-CD1 4.17Å; Y596-L647 HydrophobicContact CE2-CD2 3.42Å; Y596-L647 VanDerWaalsContact CE2-CD2 3.42Å; Y596-L647 HydrophobicContact CE2-CG 4.25Å; F644-L647 HydrophobicContact CB-CB 4.5Å; F644-L647 HydrophobicContact CB-CD1 3.43Å; F644-L647 VanDerWaalsContact CB-CD1 3.43Å; F644-L647 HydrophobicContact CB-CG 3.83Å; F644-L647 HydrophobicContact CD2-CD1 4.28Å; F644-L647 HydrophobicContact CG-CD1 3.88Å; F644-L647 PolarHBondContact O-N 2.85Å; L647-L649 VanDerWaalsContact C-N 3.29Å; L647-L649 PolarHBondContact O-N 3.45Å
648	I	55.6	Low	45.5	Very low	154 Å²	154	95.9 Å²	95.9	79%	0.79	51%	0.511	S	S	*	.			trans	-77.8	86.5	170.1	-56.5	173.3	0	0	0	107.3
649	L	58.9	Low	46.5	Very low	60 Å²	60	88.2 Å²	88.2	31%	0.314	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-63.8	146.5	173.3	-71.9	163.2	0	0	0	110.4	Y603 L647 T651	Y603-L649 HydrophobicContact CD1-CB 4.27Å; Y603-L649 HydrophobicContact CD1-CD2 3.9Å; Y603-L649 HydrophobicContact CD2-CD1 3.83Å; Y603-L649 HydrophobicContact CD2-CD2 4.27Å; Y603-L649 HydrophobicContact CD2-CG 4.46Å; Y603-L649 HydrophobicContact CE1-CB 3.94Å; Y603-L649 HydrophobicContact CE1-CD2 4.43Å; Y603-L649 HydrophobicContact CE2-CB 4.3Å; Y603-L649 HydrophobicContact CE2-CD1 3.96Å; Y603-L649 HydrophobicContact CG-CD1 4.22Å; Y603-L649 HydrophobicContact CG-CD2 3.79Å; Y603-L649 HydrophobicContact CG-CG 4.42Å; L647-L649 VanDerWaalsContact C-N 3.29Å; L647-L649 PolarHBondContact O-N 3.45Å; L649-T651 PolarHBondContact O-N 2.99Å
650	P	59.1	Low	48.2	Very low	19 Å²	19	84.4 Å²	84.4	12%	0.123	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-62.4	127.9	178.3	21.5	-28.2	0	0	0	110.8	A581 Y603 F652	A581-P650 HydrophobicContact CB-CB 4.37Å; A581-P650 HydrophobicContact CB-CG 3.87Å; Y603-P650 HydrophobicContact CD1-CG 4.23Å; Y603-P650 HydrophobicContact CE1-CG 3.99Å; Y603-P650 VanDerWaalsContact CE1-O 3.23Å; Y603-P650 WeakPolarHBondContact CE1-O 3.24Å; Y603-P650 PolarHBondContact OH-O 3.4Å; P650-F652 HydrophobicContact CB-CE1 4.18Å; P650-F652 HydrophobicContact CB-CZ 4.03Å; P650-F652 HydrophobicContact CG-CE1 4.3Å; P650-F652 HydrophobicContact CG-CE2 4.09Å; P650-F652 HydrophobicContact CG-CZ 3.67Å; P650-F652 PolarHBondContact O-N 3.33Å
651	T	58.2	Low	50.3	Low	112 Å²	112	77.9 Å²	77.9	69%	0.687	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-78.9	116.8	168.9	46.6	0	0	0	0	108.8	L649	L649-T651 PolarHBondContact O-N 2.99Å
652	F	63.9	Low	52.3	Low	17 Å²	17	72.6 Å²	72.6	8%	0.075	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-93.2	135.3	175.9	-61.8	-64.9	0	0	0	109.4	P577 W578 A581 Y603 I604 R611 P650 E654	P577-F652 HydrophobicContact CB-CD1 4.11Å; P577-F652 HydrophobicContact CB-CE1 4.49Å; W578-F652 AromaticContact CD2-CD1 3.67Å; W578-F652 HydrophobicContact CD2-CD1 3.67Å; W578-F652 AromaticContact CD2-CE1 3.81Å; W578-F652 HydrophobicContact CD2-CE1 3.81Å; W578-F652 HydrophobicContact CD2-CG 4.28Å; W578-F652 HydrophobicContact CD2-CZ 4.49Å; W578-F652 AromaticContact CE2-CD1 3.83Å; W578-F652 AromaticContact CE3-CD1 3.75Å; W578-F652 HydrophobicContact CE3-CD1 3.75Å; W578-F652 HydrophobicContact CE3-CD2 4.4Å; W578-F652 AromaticContact CE3-CE1 3.55Å; W578-F652 HydrophobicContact CE3-CE1 3.55Å; W578-F652 HydrophobicContact CE3-CE2 4.2Å; W578-F652 HydrophobicContact CE3-CG 4.19Å; W578-F652 AromaticContact CE3-CZ 3.79Å; W578-F652 HydrophobicContact CE3-CZ 3.79Å; W578-F652 HydrophobicContact CG-CD1 4.25Å; W578-F652 HydrophobicContact CG-CE1 4.33Å; W578-F652 HydrophobicContact CH2-CB 4.23Å; W578-F652 HydrophobicContact CH2-CD1 4.25Å; W578-F652 AromaticContact CH2-CD2 3.95Å; W578-F652 HydrophobicContact CH2-CD2 3.95Å; W578-F652 HydrophobicContact CH2-CE2 4.35Å; W578-F652 AromaticContact CH2-CG 3.89Å; W578-F652 HydrophobicContact CH2-CG 3.89Å; W578-F652 HydrophobicContact CZ2-CB 3.98Å; W578-F652 HydrophobicContact CZ2-CD1 4.18Å; W578-F652 HydrophobicContact CZ2-CD2 4.49Å; W578-F652 AromaticContact CZ2-CG 3.98Å; W578-F652 HydrophobicContact CZ2-CG 3.98Å; W578-F652 HydrophobicContact CZ3-CD1 4.01Å; W578-F652 AromaticContact CZ3-CD2 3.86Å; W578-F652 HydrophobicContact CZ3-CD2 3.86Å; W578-F652 AromaticContact CZ3-CE1 3.98Å; W578-F652 HydrophobicContact CZ3-CE1 3.98Å; W578-F652 AromaticContact CZ3-CE2 3.8Å; W578-F652 HydrophobicContact CZ3-CE2 3.8Å; W578-F652 AromaticContact CZ3-CG 3.96Å; W578-F652 HydrophobicContact CZ3-CG 3.96Å; W578-F652 AromaticContact CZ3-CZ 3.87Å; W578-F652 HydrophobicContact CZ3-CZ 3.87Å; A581-F652 HydrophobicContact CB-CE1 3.92Å; A581-F652 HydrophobicContact CB-CZ 3.75Å; Y603-F652 AromaticContact CD1-CE2 3.88Å; Y603-F652 HydrophobicContact CD1-CE2 3.88Å; Y603-F652 AromaticContact CE1-CD2 3.94Å; Y603-F652 HydrophobicContact CE1-CD2 3.94Å; Y603-F652 AromaticContact CE1-CE2 3.42Å; Y603-F652 HydrophobicContact CE1-CE2 3.42Å; Y603-F652 VanDerWaalsContact CE1-CE2 3.42Å; Y603-F652 HydrophobicContact CE1-CZ 4.36Å; I604-F652 HydrophobicContact CG1-CZ 4.03Å; R611-F652 VanDerWaalsContact NH2-C 3.34Å; R611-F652 PolarHBondContact NH2-O 2.86Å; R611-F652 VanDerWaalsContact NH2-O 3.09Å; P650-F652 HydrophobicContact CB-CE1 4.18Å; P650-F652 HydrophobicContact CB-CZ 4.03Å; P650-F652 HydrophobicContact CG-CE1 4.3Å; P650-F652 HydrophobicContact CG-CE2 4.09Å; P650-F652 HydrophobicContact CG-CZ 3.67Å; P650-F652 PolarHBondContact O-N 3.33Å; F652-E654 PolarHBondContact O-N 2.99Å
653	P	58.6	Low	54.3	Low	60 Å²	60	70.4 Å²	70.4	39%	0.39	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-57.5	131.3	179.8	22	-31.6	0	0	0	110.7	R611 H655	R611-P653 PolarHBondContact NH1-O 2.89Å; R611-P653 PolarHBondContact NH2-O 2.68Å; P653-H655 PolarHBondContact O-N 3.18Å
654	E	53.7	Low	56.5	Low	161 Å²	161	67.4 Å²	67.4	75%	0.752	37%	0.371	S	S	*	.	S	Bend	trans	-60.2	-29.5	-175.3	-69.8	-180	176.1	0	0	113.1	F652	F652-E654 PolarHBondContact O-N 2.99Å
655	H	53.4	Low	58.7	Low	59 Å²	59	62.3 Å²	62.3	27%	0.273	35%	0.349	S	S	.	.	S	Bend	trans	-99.7	137.6	174.2	-57.1	-43.4	0	0	0	109.8	W365 Y366 P653 P657	W365-H655 HydrophobicContact CG-CB 4.14Å; Y366-H655 AromaticContact CD2-NE2 3.39Å; Y366-H655 WeakPolarHBondContact CD2-NE2 3.46Å; Y366-H655 AromaticContact CE2-CE1 3.92Å; Y366-H655 AromaticContact CE2-NE2 3.1Å; Y366-H655 WeakPolarHBondContact CE2-NE2 3.39Å; P653-H655 PolarHBondContact O-N 3.18Å; H655-P657 WeakPolarHBondContact O-CD 3.39Å
656	T	49.2	Very low	60.8	Low	35 Å²	35	60.4 Å²	60.4	22%	0.215	33%	0.331	C	S	.	.			trans	-96.5	92.5	-173.9	36.5	0	0	0	0	111.4	V658 L664	T656-V658 PolarHBondContact O-N 3.47Å; T656-L664 HydrophobicContact CG2-CD1 3.73Å
657	P	50.1	Low	63	Low	79 Å²	79	53 Å²	53	51%	0.513	30%	0.297	S	S	.	.			trans	-91.5	54.1	151.3	36	-29.8	0	0	0	108.9	W365 H655 G659	W365-P657 HydrophobicContact CH2-CB 4.33Å; W365-P657 HydrophobicContact CZ2-CB 3.64Å; W365-P657 HydrophobicContact CZ2-CG 4.05Å; H655-P657 WeakPolarHBondContact O-CD 3.39Å; P657-G659 VanDerWaalsContact C-N 3.31Å
658	V	48.2	Very low	65	Low	15 Å²	15	50.6 Å²	50.6	9%	0.091	28%	0.284	C	S	.	.	S	Bend	trans	-101.4	56.5	170.2	-164	0	0	0	0	107.4	W578 T656 G660 R663 L664	W578-V658 VanDerWaalsContact CD1-CG2 3.41Å; W578-V658 VanDerWaalsContact NE1-CG2 3.29Å; T656-V658 PolarHBondContact O-N 3.47Å; V658-G660 PolarHBondContact O-N 3.34Å; V658-R663 HydrophobicContact CG1-CG 4.17Å; V658-R663 WeakPolarHBondContact O-CB 3.39Å; V658-L664 HydrophobicContact CB-CD2 3.92Å; V658-L664 HydrophobicContact CB-CG 4.22Å; V658-L664 HydrophobicContact CG1-CD2 4.04Å; V658-L664 HydrophobicContact CG2-CD2 4.05Å
659	G	52.2	Low	66.6	Low	44 Å²	44	43.9 Å²	43.9	45%	0.454	25%	0.25	S	C	.	.	S	Bend	trans	54.1	19	171	0	0	0	0	0	117.9	P657	P657-G659 VanDerWaalsContact C-N 3.31Å
660	G	65.9	Low	67.9	Low	28 Å²	28	45.2 Å²	45.2	29%	0.289	25%	0.251	S	S	.	.	S	Bend	trans	101.4	171.9	-176.6	0	0	0	0	0	114.4	V658 C662 R663	V658-G660 PolarHBondContact O-N 3.34Å; G660-C662 PolarHBondContact O-N 3.03Å; G660-R663 PolarHBondContact O-N 2.98Å
661	L	73.9	Confident	69.3	Low	25 Å²	25	44.3 Å²	44.3	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-30.4	177.7	-70.4	171.6	0	0	0	111.9	D436 D615 R663 L664 A665	D436-L661 HydrophobicContact CB-CB 4.07Å; D436-L661 VanDerWaalsContact CG-N 3.35Å; D436-L661 PolarHBondContact OD1-N 2.88Å; D436-L661 PolarHBondContact OD2-N 3.48Å; D615-L661 HydrophobicContact CB-CD2 4.15Å; L661-R663 PolarHBondContact O-N 3.31Å; L661-L664 HydrophobicContact CD2-CD1 4.45Å; L661-L664 PolarHBondContact O-N 3.37Å; L661-A665 PolarHBondContact O-N 2.71Å
662	C	74.7	Confident	70.9	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-41.2	179.6	71.4	0	0	0	0	112	L435 D436 F473 G660 A665 L666	L435-C662 HydrophobicContact CD2-CB 4.35Å; L435-C662 HydrophobicContact CG-CB 4.2Å; D436-C662 VanDerWaalsContact OD1-CB 3.31Å; D436-C662 WeakPolarHBondContact OD1-CB 3.49Å; D436-C662 PolarHBondContact OD1-N 3.48Å; D436-C662 PolarHBondContact OD1-SG 2.98Å; F473-C662 HydrophobicContact CD2-CB 4.16Å; F473-C662 HydrophobicContact CE2-CB 3.56Å; F473-C662 WeakPolarHBondContact CE2-O 3.25Å; F473-C662 HydrophobicContact CZ-CB 3.89Å; G660-C662 PolarHBondContact O-N 3.03Å; C662-A665 WeakPolarHBondContact O-CB 3.12Å; C662-A665 PolarHBondContact O-N 2.82Å; C662-L666 PolarHBondContact O-N 3.12Å; C662-L666 VanDerWaalsContact O-N 3.09Å
663	R	74.9	Confident	72.1	Confident	111 Å²	111	39 Å²	39	42%	0.419	21%	0.213	S	C	.	.	H	α-helix	trans	-73.1	-34	179.6	-173.1	172.7	-176.8	168.8	-0.2	111.6	V658 G660 L661 A665 L666 V667	V658-R663 HydrophobicContact CG1-CG 4.17Å; V658-R663 WeakPolarHBondContact O-CB 3.39Å; G660-R663 PolarHBondContact O-N 2.98Å; L661-R663 PolarHBondContact O-N 3.31Å; R663-A665 VanDerWaalsContact C-N 3.31Å; R663-L666 PolarHBondContact O-N 3.43Å; R663-V667 WeakPolarHBondContact O-CG2 3.47Å; R663-V667 PolarHBondContact O-N 3.37Å; R663-V667 VanDerWaalsContact O-N 3.12Å
664	L	78.7	Confident	73.4	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-40.8	169.1	-69.9	171.9	0	0	0	111.4	W578 I608 T656 V658 L661 L666 V667 E668	W578-L664 HydrophobicContact CD2-CD2 4.49Å; W578-L664 HydrophobicContact CZ2-CD2 4.03Å; I608-L664 HydrophobicContact CG2-CB 4.27Å; T656-L664 HydrophobicContact CG2-CD1 3.73Å; V658-L664 HydrophobicContact CB-CD2 3.92Å; V658-L664 HydrophobicContact CB-CG 4.22Å; V658-L664 HydrophobicContact CG1-CD2 4.04Å; V658-L664 HydrophobicContact CG2-CD2 4.05Å; L661-L664 HydrophobicContact CD2-CD1 4.45Å; L661-L664 PolarHBondContact O-N 3.37Å; L664-L666 VanDerWaalsContact C-N 3.3Å; L664-L666 PolarHBondContact O-N 2.89Å; L664-V667 WeakPolarHBondContact O-CB 3.38Å; L664-V667 PolarHBondContact O-N 3.19Å; L664-V667 VanDerWaalsContact O-N 3.15Å; L664-E668 WeakPolarHBondContact O-CB 3.44Å; L664-E668 PolarHBondContact O-N 3.1Å
665	A	81.7	Confident	75.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-34.1	175.8	0	0	0	0	0	112.8	L661 C662 R663 E668 L669 Y702	L661-A665 PolarHBondContact O-N 2.71Å; C662-A665 WeakPolarHBondContact O-CB 3.12Å; C662-A665 PolarHBondContact O-N 2.82Å; R663-A665 VanDerWaalsContact C-N 3.31Å; A665-E668 PolarHBondContact O-N 2.98Å; A665-L669 WeakPolarHBondContact O-CB 3.24Å; A665-L669 PolarHBondContact O-N 3.46Å; A665-Y702 HydrophobicContact CB-CD1 4.09Å; A665-Y702 HydrophobicContact CB-CD2 3.69Å; A665-Y702 HydrophobicContact CB-CE1 4Å; A665-Y702 HydrophobicContact CB-CE2 3.62Å; A665-Y702 HydrophobicContact CB-CG 3.93Å
666	L	83.2	Confident	76.7	Confident	60 Å²	60	26.7 Å²	26.7	31%	0.314	15%	0.154	S	C	.	.	H	α-helix	trans	-68.2	-38.7	172.3	-72.8	179.6	0	0	0	112.8	F473 C662 R663 L664 L669 R670 L704	F473-L666 HydrophobicContact CD2-CD1 3.61Å; F473-L666 HydrophobicContact CD2-CD2 4.24Å; F473-L666 HydrophobicContact CD2-CG 3.84Å; F473-L666 HydrophobicContact CE2-CD1 4.13Å; F473-L666 HydrophobicContact CE2-CD2 4.2Å; F473-L666 HydrophobicContact CE2-CG 3.83Å; C662-L666 PolarHBondContact O-N 3.12Å; C662-L666 VanDerWaalsContact O-N 3.09Å; R663-L666 PolarHBondContact O-N 3.43Å; L664-L666 VanDerWaalsContact C-N 3.3Å; L664-L666 PolarHBondContact O-N 2.89Å; L666-L669 PolarHBondContact O-N 2.84Å; L666-R670 WeakPolarHBondContact O-CG 3.36Å; L666-R670 PolarHBondContact O-N 3.26Å; L666-L704 HydrophobicContact CD2-CD1 4.11Å; L666-L704 HydrophobicContact CD2-CD2 3.79Å
667	V	84	Confident	78.4	Confident	10 Å²	10	26 Å²	26	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-65.3	-42.7	174.5	174.2	0	0	0	0	110.1	W578 I582 I604 I608 R663 L664 R670 A671	W578-V667 HydrophobicContact CB-CG1 4.15Å; W578-V667 HydrophobicContact CE3-CG1 4.3Å; I582-V667 HydrophobicContact CD1-CB 4.44Å; I582-V667 HydrophobicContact CD1-CG1 3.61Å; I604-V667 HydrophobicContact CG2-CG1 4.39Å; I608-V667 HydrophobicContact CD1-CB 4.19Å; I608-V667 HydrophobicContact CD1-CG1 3.73Å; R663-V667 WeakPolarHBondContact O-CG2 3.47Å; R663-V667 PolarHBondContact O-N 3.37Å; R663-V667 VanDerWaalsContact O-N 3.12Å; L664-V667 WeakPolarHBondContact O-CB 3.38Å; L664-V667 PolarHBondContact O-N 3.19Å; L664-V667 VanDerWaalsContact O-N 3.15Å; V667-R670 PolarHBondContact O-N 2.94Å; V667-A671 WeakPolarHBondContact O-CB 3.22Å; V667-A671 PolarHBondContact O-N 3.32Å
668	E	87.5	Confident	80.1	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-47.5	174.7	-170.2	-176.8	165.9	0	0	111.3	I608 R612 L664 A665 R670 A671 H672 L698	I608-E668 HydrophobicContact CD1-CB 3.99Å; I608-E668 HydrophobicContact CG2-CB 4.02Å; I608-E668 HydrophobicContact CG2-CG 4.26Å; R612-E668 IonicContact CZ-OE1 2.8Å; R612-E668 IonicContact CZ-OE2 2.87Å; R612-E668 IonicContact NH1-OE1 3.28Å; R612-E668 PolarHBondContact NH1-OE1 3.12Å; R612-E668 IonicContact NH1-OE2 3.5Å; R612-E668 PolarHBondContact NH1-OE2 3.4Å; R612-E668 IonicContact NH2-OE1 2.64Å; R612-E668 PolarHBondContact NH2-OE1 2.89Å; L664-E668 WeakPolarHBondContact O-CB 3.44Å; L664-E668 PolarHBondContact O-N 3.1Å; A665-E668 PolarHBondContact O-N 2.98Å; E668-R670 PolarHBondContact O-N 2.76Å; E668-A671 PolarHBondContact O-N 3.43Å; E668-H672 PolarHBondContact O-CD2 2.7Å; E668-H672 VanDerWaalsContact O-CD2 3.24Å; E668-H672 PolarHBondContact O-N 3.39Å; E668-H672 IonicContact OE1-NE2 3.36Å; E668-L698 HydrophobicContact CB-CD2 4.02Å; E668-L698 HydrophobicContact CG-CD2 3.73Å
669	L	88.2	Confident	81.8	Confident	13 Å²	13	22 Å²	22	7%	0.068	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-49.2	175.3	175.8	58.8	0	0	0	111	A665 L666 A671 H672 L673 T695 L698 C699 L704	A665-L669 WeakPolarHBondContact O-CB 3.24Å; A665-L669 PolarHBondContact O-N 3.46Å; L666-L669 PolarHBondContact O-N 2.84Å; L669-A671 VanDerWaalsContact C-N 3.33Å; L669-A671 PolarHBondContact O-N 3.17Å; L669-H672 PolarHBondContact O-N 3.25Å; L669-L673 HydrophobicContact CD1-CD1 3.9Å; L669-L673 HydrophobicContact CD1-CD2 4.35Å; L669-L673 HydrophobicContact CD1-CG 3.93Å; L669-L673 HydrophobicContact CG-CD1 3.91Å; L669-L673 HydrophobicContact CG-CG 4.35Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 VanDerWaalsContact O-CG 3.22Å; L669-L673 WeakPolarHBondContact O-CG 3.14Å; L669-L673 PolarHBondContact O-N 3.17Å; L669-T695 HydrophobicContact CD1-CG2 3.45Å; L669-T695 VanDerWaalsContact CD1-CG2 3.45Å; L669-L698 HydrophobicContact CB-CD2 4.31Å; L669-C699 WeakPolarHBondContact CD1-SG 3.49Å; L669-L704 HydrophobicContact CD2-CB 4.38Å; L669-L704 HydrophobicContact CD2-CD1 3.73Å
670	R	87.5	Confident	83.3	Confident	88 Å²	88	20.3 Å²	20.3	33%	0.332	10%	0.102	S	C	.	.	H	α-helix	trans	-61.1	-40.9	178.2	-75.5	175.6	63.5	-160.2	-2.8	112.4	E579 I582 L666 V667 E668 L673 A674	E579-R670 IonicContact OE1-CZ 3.26Å; E579-R670 IonicContact OE1-NH1 3.86Å; E579-R670 PolarHBondContact OE1-NH1 3.23Å; E579-R670 IonicContact OE1-NH2 3.62Å; E579-R670 PolarHBondContact OE1-NH2 2.62Å; E579-R670 IonicContact OE2-CZ 2.75Å; E579-R670 IonicContact OE2-NH1 3.94Å; E579-R670 PolarHBondContact OE2-NH1 3.2Å; E579-R670 IonicContact OE2-NH2 3.43Å; I582-R670 HydrophobicContact CD1-CB 4.22Å; L666-R670 WeakPolarHBondContact O-CG 3.36Å; L666-R670 PolarHBondContact O-N 3.26Å; V667-R670 PolarHBondContact O-N 2.94Å; E668-R670 PolarHBondContact O-N 2.76Å; R670-L673 PolarHBondContact O-N 3.06Å; R670-A674 WeakPolarHBondContact O-CB 3.44Å; R670-A674 PolarHBondContact O-N 3.15Å
671	A	88.6	Confident	83.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-43.4	177.7	0	0	0	0	0	112	L601 I604 I605 V667 E668 L669 A674 L675	L601-A671 HydrophobicContact CD2-CB 4.44Å; I604-A671 HydrophobicContact CG2-CB 4Å; I605-A671 HydrophobicContact CD1-CB 4.32Å; I605-A671 HydrophobicContact CG1-CB 3.84Å; V667-A671 WeakPolarHBondContact O-CB 3.22Å; V667-A671 PolarHBondContact O-N 3.32Å; E668-A671 PolarHBondContact O-N 3.43Å; L669-A671 VanDerWaalsContact C-N 3.33Å; L669-A671 PolarHBondContact O-N 3.17Å; A671-A674 PolarHBondContact O-N 3.01Å; A671-L675 WeakPolarHBondContact O-CB 3.27Å; A671-L675 PolarHBondContact O-N 3.2Å
672	H	90.9	Very high	84.4	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.2	-81.7	-68.6	0	0	0	112.2	E668 L669 A674 L675 I676 E691 T695	E668-H672 PolarHBondContact O-CD2 2.7Å; E668-H672 VanDerWaalsContact O-CD2 3.24Å; E668-H672 PolarHBondContact O-N 3.39Å; E668-H672 IonicContact OE1-NE2 3.36Å; L669-H672 PolarHBondContact O-N 3.25Å; H672-A674 VanDerWaalsContact C-N 3.34Å; H672-A674 PolarHBondContact O-N 2.68Å; H672-L675 PolarHBondContact O-N 2.97Å; H672-L675 VanDerWaalsContact O-N 3.16Å; H672-I676 WeakPolarHBondContact O-CB 3.44Å; H672-I676 WeakPolarHBondContact O-CD1 3.33Å; H672-I676 VanDerWaalsContact O-CG1 3.23Å; H672-I676 WeakPolarHBondContact O-CG1 3.42Å; H672-I676 PolarHBondContact O-N 3.43Å; H672-E691 IonicContact CE1-OE2 3.89Å; H672-E691 PolarHBondContact CE1-OE2 3.4Å; H672-E691 VanDerWaalsContact CE1-OE2 3.28Å; H672-E691 IonicContact ND1-OE2 2.72Å; H672-E691 PolarHBondContact ND1-OE2 3.03Å; H672-T695 HydrophobicContact CB-CG2 3.87Å; H672-T695 VanDerWaalsContact CB-OG1 3.3Å; H672-T695 WeakPolarHBondContact CB-OG1 3.47Å
673	L	88.1	Confident	84.7	Confident	14 Å²	14	27.8 Å²	27.8	7%	0.073	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-44.3	178.5	-71.1	175.8	0	0	0	111.6	L669 R670 L675 I676 E677 M710 I711 L714 L885	L669-L673 HydrophobicContact CD1-CD1 3.9Å; L669-L673 HydrophobicContact CD1-CD2 4.35Å; L669-L673 HydrophobicContact CD1-CG 3.93Å; L669-L673 HydrophobicContact CG-CD1 3.91Å; L669-L673 HydrophobicContact CG-CG 4.35Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 VanDerWaalsContact O-CG 3.22Å; L669-L673 WeakPolarHBondContact O-CG 3.14Å; L669-L673 PolarHBondContact O-N 3.17Å; R670-L673 PolarHBondContact O-N 3.06Å; L673-L675 VanDerWaalsContact C-N 3.34Å; L673-L675 PolarHBondContact O-N 3.43Å; L673-I676 PolarHBondContact O-N 3.33Å; L673-E677 PolarHBondContact O-N 3.49Å; L673-M710 HydrophobicContact CD1-SD 4.04Å; L673-I711 HydrophobicContact CD2-CG1 4.18Å; L673-L714 HydrophobicContact CD2-CD1 3.68Å; L673-L885 HydrophobicContact CB-CD1 3.68Å; L673-L885 HydrophobicContact CD1-CD1 3.99Å; L673-L885 HydrophobicContact CD2-CD1 3.67Å; L673-L885 HydrophobicContact CG-CD1 3.94Å
674	A	86.7	Confident	85.2	Confident	21 Å²	21	26 Å²	26	17%	0.174	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-38.2	174.5	0	0	0	0	0	112.4	L601 R670 A671 H672 E677 L678	L601-A674 HydrophobicContact CD1-CB 3.98Å; L601-A674 HydrophobicContact CD2-CB 4Å; R670-A674 WeakPolarHBondContact O-CB 3.44Å; R670-A674 PolarHBondContact O-N 3.15Å; A671-A674 PolarHBondContact O-N 3.01Å; H672-A674 VanDerWaalsContact C-N 3.34Å; H672-A674 PolarHBondContact O-N 2.68Å; A674-E677 PolarHBondContact O-N 3.44Å; A674-L678 WeakPolarHBondContact O-CB 3.29Å; A674-L678 PolarHBondContact O-N 3.03Å
675	L	89.7	Confident	85.4	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-44	176.6	-178.9	61.8	0	0	0	111.5	L601 I605 A671 H672 L673 E677 L678 L679 E691	L601-L675 HydrophobicContact CD1-CB 4.26Å; I605-L675 HydrophobicContact CD1-CD2 3.73Å; A671-L675 WeakPolarHBondContact O-CB 3.27Å; A671-L675 PolarHBondContact O-N 3.2Å; H672-L675 PolarHBondContact O-N 2.97Å; H672-L675 VanDerWaalsContact O-N 3.16Å; L673-L675 VanDerWaalsContact C-N 3.34Å; L673-L675 PolarHBondContact O-N 3.43Å; L675-E677 VanDerWaalsContact C-N 3.33Å; L675-E677 PolarHBondContact O-N 2.94Å; L675-L678 WeakPolarHBondContact O-CB 3.44Å; L675-L678 PolarHBondContact O-N 3.37Å; L675-L679 HydrophobicContact CD1-CG 4.49Å; L675-L679 HydrophobicContact CG-CD1 4.2Å; L675-L679 VanDerWaalsContact O-CG 3.27Å; L675-L679 WeakPolarHBondContact O-CG 3.06Å; L675-L679 PolarHBondContact O-N 3.25Å; L675-E691 HydrophobicContact CD2-CG 4.18Å
676	I	87.7	Confident	85.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175.9	-68.3	159.3	0	0	0	109.8	H672 L673 L678 L679 I680 A688 E691 I692 L714	H672-I676 WeakPolarHBondContact O-CB 3.44Å; H672-I676 WeakPolarHBondContact O-CD1 3.33Å; H672-I676 VanDerWaalsContact O-CG1 3.23Å; H672-I676 WeakPolarHBondContact O-CG1 3.42Å; H672-I676 PolarHBondContact O-N 3.43Å; L673-I676 PolarHBondContact O-N 3.33Å; I676-L678 VanDerWaalsContact C-N 3.33Å; I676-L678 PolarHBondContact O-N 3.31Å; I676-L679 PolarHBondContact O-N 3.11Å; I676-I680 HydrophobicContact CG2-CD1 3.84Å; I676-I680 HydrophobicContact CG2-CG1 4.37Å; I676-I680 VanDerWaalsContact O-CG1 3.24Å; I676-I680 WeakPolarHBondContact O-CG1 2.92Å; I676-I680 PolarHBondContact O-N 2.95Å; I676-A688 HydrophobicContact CG2-CB 4.46Å; I676-E691 HydrophobicContact CD1-CB 4.39Å; I676-E691 HydrophobicContact CG1-CB 3.76Å; I676-I692 HydrophobicContact CD1-CG1 3.69Å; I676-I692 HydrophobicContact CG1-CG1 4.13Å; I676-I692 HydrophobicContact CG2-CD1 4.02Å; I676-I692 HydrophobicContact CG2-CG1 3.94Å; I676-L714 HydrophobicContact CB-CD1 4.46Å; I676-L714 HydrophobicContact CG2-CD1 3.96Å; I676-L714 HydrophobicContact CG2-CD2 4.35Å
677	E	83.3	Confident	85.6	Confident	19 Å²	19	36.2 Å²	36.2	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.7	-172.3	178.7	170.3	0	0	112.2	L673 A674 L675 L679 I680 T681 D883	L673-E677 PolarHBondContact O-N 3.49Å; A674-E677 PolarHBondContact O-N 3.44Å; L675-E677 VanDerWaalsContact C-N 3.33Å; L675-E677 PolarHBondContact O-N 2.94Å; E677-L679 PolarHBondContact O-N 3.21Å; E677-I680 PolarHBondContact O-N 3Å; E677-T681 WeakPolarHBondContact O-CB 3.34Å; E677-T681 PolarHBondContact O-N 3.03Å; E677-T681 PolarHBondContact O-OG1 3.49Å; E677-D883 VanDerWaalsContact OE1-CA 3.3Å; E677-D883 WeakPolarHBondContact OE1-CA 3.42Å
678	L	85.6	Confident	85.7	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-43.9	174.5	-168.9	66.9	0	0	0	111.8	Q589 V594 T597 H598 L601 A674 L675 I676 T681 L682	Q589-L678 HydrophobicContact CG-CD1 4.35Å; V594-L678 HydrophobicContact CB-CD1 4.48Å; V594-L678 HydrophobicContact CG1-CD1 3.67Å; V594-L678 HydrophobicContact CG1-CD2 4.22Å; V594-L678 HydrophobicContact CG1-CG 4Å; V594-L678 HydrophobicContact CG2-CD1 4.45Å; T597-L678 HydrophobicContact CG2-CD1 4.34Å; T597-L678 HydrophobicContact CG2-CD2 3.91Å; H598-L678 HydrophobicContact CB-CD2 3.82Å; L601-L678 HydrophobicContact CD1-CD2 4.49Å; A674-L678 WeakPolarHBondContact O-CB 3.29Å; A674-L678 PolarHBondContact O-N 3.03Å; L675-L678 WeakPolarHBondContact O-CB 3.44Å; L675-L678 PolarHBondContact O-N 3.37Å; I676-L678 VanDerWaalsContact C-N 3.33Å; I676-L678 PolarHBondContact O-N 3.31Å; L678-T681 VanDerWaalsContact O-CB 3.28Å; L678-T681 WeakPolarHBondContact O-CB 3.18Å; L678-T681 PolarHBondContact O-N 3.2Å; L678-L682 HydrophobicContact CG-CD1 4.46Å; L678-L682 WeakPolarHBondContact O-CG 3.43Å; L678-L682 PolarHBondContact O-N 2.84Å
679	L	85.7	Confident	85.6	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-39.7	178.4	-68.6	170.3	0	0	0	111.9	L675 I676 E677 T681 L682 K683 L684 A688 E691	L675-L679 HydrophobicContact CD1-CG 4.49Å; L675-L679 HydrophobicContact CG-CD1 4.2Å; L675-L679 VanDerWaalsContact O-CG 3.27Å; L675-L679 WeakPolarHBondContact O-CG 3.06Å; L675-L679 PolarHBondContact O-N 3.25Å; I676-L679 PolarHBondContact O-N 3.11Å; E677-L679 PolarHBondContact O-N 3.21Å; L679-T681 VanDerWaalsContact C-N 3.33Å; L679-L682 CarbonylContact O-C 3.54Å; L679-L682 PolarHBondContact O-N 2.69Å; L679-K683 PolarHBondContact O-N 2.97Å; L679-K683 VanDerWaalsContact O-N 3.11Å; L679-L684 HydrophobicContact CB-CB 4.5Å; L679-L684 HydrophobicContact CD2-CB 4.12Å; L679-L684 HydrophobicContact CD2-CD1 4.06Å; L679-L684 PolarHBondContact O-N 3.08Å; L679-A688 HydrophobicContact CB-CB 3.93Å; L679-E691 HydrophobicContact CD1-CG 4.01Å
680	I	82.4	Confident	85.5	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-44.7	172.8	-66.9	169.8	0	0	0	110.2	I676 E677 L682 K683 Y685 A688 L714 I718	I676-I680 HydrophobicContact CG2-CD1 3.84Å; I676-I680 HydrophobicContact CG2-CG1 4.37Å; I676-I680 VanDerWaalsContact O-CG1 3.24Å; I676-I680 WeakPolarHBondContact O-CG1 2.92Å; I676-I680 PolarHBondContact O-N 2.95Å; E677-I680 PolarHBondContact O-N 3Å; I680-L682 VanDerWaalsContact C-N 3.26Å; I680-L682 PolarHBondContact O-N 3.18Å; I680-K683 PolarHBondContact O-N 3.23Å; I680-Y685 HydrophobicContact CG2-CE1 4.46Å; I680-A688 HydrophobicContact CG1-CB 4.2Å; I680-L714 HydrophobicContact CD1-CD2 3.81Å; I680-I718 HydrophobicContact CD1-CD1 3.92Å; I680-I718 HydrophobicContact CD1-CG1 3.62Å; I680-I718 HydrophobicContact CG1-CD1 4.03Å; I680-I718 HydrophobicContact CG1-CG1 3.65Å
681	T	79.8	Confident	85.6	Confident	30 Å²	30	37.9 Å²	37.9	18%	0.184	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-40.2	176.7	-56.3	0	0	0	0	112.1	E677 L678 L679 K683 V881	E677-T681 WeakPolarHBondContact O-CB 3.34Å; E677-T681 PolarHBondContact O-N 3.03Å; E677-T681 PolarHBondContact O-OG1 3.49Å; L678-T681 VanDerWaalsContact O-CB 3.28Å; L678-T681 WeakPolarHBondContact O-CB 3.18Å; L678-T681 PolarHBondContact O-N 3.2Å; L679-T681 VanDerWaalsContact C-N 3.33Å; T681-K683 VanDerWaalsContact C-N 3.25Å; T681-K683 PolarHBondContact O-N 2.96Å; T681-V881 HydrophobicContact CG2-CB 4.33Å; T681-V881 HydrophobicContact CG2-CG1 3.81Å; T681-V881 HydrophobicContact CG2-CG2 3.54Å; T681-V881 WeakPolarHBondContact OG1-CG1 3.37Å
682	L	83.4	Confident	85.6	Confident	69 Å²	69	37.9 Å²	37.9	36%	0.361	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.3	177.3	-67.6	175.7	0	0	0	113.7	V594 L678 L679 I680 L684	V594-L682 HydrophobicContact CG1-CD1 3.41Å; V594-L682 VanDerWaalsContact CG1-CD1 3.41Å; V594-L682 HydrophobicContact CG1-CD2 3.71Å; V594-L682 HydrophobicContact CG1-CG 3.84Å; L678-L682 HydrophobicContact CG-CD1 4.46Å; L678-L682 WeakPolarHBondContact O-CG 3.43Å; L678-L682 PolarHBondContact O-N 2.84Å; L679-L682 CarbonylContact O-C 3.54Å; L679-L682 PolarHBondContact O-N 2.69Å; I680-L682 VanDerWaalsContact C-N 3.26Å; I680-L682 PolarHBondContact O-N 3.18Å; L682-L684 HydrophobicContact CB-CD1 4.06Å; L682-L684 HydrophobicContact CB-CG 3.99Å; L682-L684 HydrophobicContact CD1-CD1 4.24Å; L682-L684 PolarHBondContact O-N 2.92Å
683	K	82.1	Confident	85.4	Confident	116 Å²	116	40.5 Å²	40.5	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	25	-175.1	-51.7	-178.4	179	178.5	0	113.6	L679 I680 T681 Y685	L679-K683 PolarHBondContact O-N 2.97Å; L679-K683 VanDerWaalsContact O-N 3.11Å; I680-K683 PolarHBondContact O-N 3.23Å; T681-K683 VanDerWaalsContact C-N 3.25Å; T681-K683 PolarHBondContact O-N 2.96Å; K683-Y685 VanDerWaalsContact C-N 3.27Å; K683-Y685 HydrophobicContact CB-CE2 4.01Å; K683-Y685 PolarHBondContact O-N 2.66Å
684	L	84.5	Confident	85.4	Confident	74 Å²	74	43.4 Å²	43.4	39%	0.387	22%	0.217	S	C	.	.			trans	-89.4	59.2	177.7	-68.3	179.4	0	0	0	110.6	L679 L682 V686 Y687 A688	L679-L684 HydrophobicContact CB-CB 4.5Å; L679-L684 HydrophobicContact CD2-CB 4.12Å; L679-L684 HydrophobicContact CD2-CD1 4.06Å; L679-L684 PolarHBondContact O-N 3.08Å; L682-L684 HydrophobicContact CB-CD1 4.06Å; L682-L684 HydrophobicContact CB-CG 3.99Å; L682-L684 HydrophobicContact CD1-CD1 4.24Å; L682-L684 PolarHBondContact O-N 2.92Å; L684-V686 PolarHBondContact O-N 3.37Å; L684-Y687 HydrophobicContact CB-CD2 4.07Å; L684-Y687 HydrophobicContact CD2-CD2 4.39Å; L684-Y687 PolarHBondContact O-N 3.42Å; L684-A688 PolarHBondContact O-N 2.84Å; L684-A688 VanDerWaalsContact O-N 3.08Å
685	Y	82.9	Confident	85.4	Confident	29 Å²	29	42.4 Å²	42.4	11%	0.114	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-32.1	-167.2	-53.1	-61.2	0	0	0	115	I680 K683 Y687 A688 F689 I718 S721 M722	I680-Y685 HydrophobicContact CG2-CE1 4.46Å; K683-Y685 VanDerWaalsContact C-N 3.27Å; K683-Y685 HydrophobicContact CB-CE2 4.01Å; K683-Y685 PolarHBondContact O-N 2.66Å; Y685-Y687 VanDerWaalsContact C-N 3.32Å; Y685-Y687 PolarHBondContact O-N 3.36Å; Y685-A688 WeakPolarHBondContact O-CB 3.3Å; Y685-A688 PolarHBondContact O-N 2.85Å; Y685-F689 VanDerWaalsContact O-CD2 3.25Å; Y685-F689 WeakPolarHBondContact O-CD2 3.44Å; Y685-F689 PolarHBondContact O-N 3.31Å; Y685-I718 HydrophobicContact CD1-CG2 3.87Å; Y685-I718 HydrophobicContact CG-CG2 4.16Å; Y685-S721 WeakPolarHBondContact CE1-OG 3.3Å; Y685-S721 VanDerWaalsContact CZ-OG 3.27Å; Y685-S721 PolarHBondContact OH-OG 2.97Å; Y685-M722 HydrophobicContact CD2-CE 3.89Å; Y685-M722 HydrophobicContact CD2-CG 4.16Å; Y685-M722 HydrophobicContact CE2-CG 4.46Å; Y685-M722 HydrophobicContact CG-CE 3.74Å; Y685-M722 HydrophobicContact CG-CG 4.48Å
686	V	84.3	Confident	85.4	Confident	102 Å²	102	43.8 Å²	43.8	62%	0.618	22%	0.216	S	C	*	.	H	α-helix	trans	-62.1	-43.6	177.3	178.9	0	0	0	0	110.5	L684 F689 N690	L684-V686 PolarHBondContact O-N 3.37Å; V686-F689 PolarHBondContact O-N 3.38Å; V686-N690 PolarHBondContact O-N 2.85Å; V686-N690 VanDerWaalsContact O-N 3.16Å
687	Y	85.2	Confident	85.4	Confident	148 Å²	148	51.1 Å²	51.1	58%	0.58	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-37.8	175.5	-63.6	-81.4	0	0	0	111.5	L684 Y685 F689 N690 E691	L684-Y687 HydrophobicContact CB-CD2 4.07Å; L684-Y687 HydrophobicContact CD2-CD2 4.39Å; L684-Y687 PolarHBondContact O-N 3.42Å; Y685-Y687 VanDerWaalsContact C-N 3.32Å; Y685-Y687 PolarHBondContact O-N 3.36Å; Y687-F689 VanDerWaalsContact C-N 3.34Å; Y687-F689 PolarHBondContact O-N 3.34Å; Y687-N690 PolarHBondContact O-N 2.89Å; Y687-E691 PolarHBondContact O-N 3.24Å
688	A	85	Confident	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-40.6	175.3	0	0	0	0	0	112.1	I676 L679 I680 L684 Y685 E691 I692 I718	I676-A688 HydrophobicContact CG2-CB 4.46Å; L679-A688 HydrophobicContact CB-CB 3.93Å; I680-A688 HydrophobicContact CG1-CB 4.2Å; L684-A688 PolarHBondContact O-N 2.84Å; L684-A688 VanDerWaalsContact O-N 3.08Å; Y685-A688 WeakPolarHBondContact O-CB 3.3Å; Y685-A688 PolarHBondContact O-N 2.85Å; A688-E691 PolarHBondContact O-N 3.33Å; A688-I692 WeakPolarHBondContact O-CB 3.46Å; A688-I692 VanDerWaalsContact O-CG1 3.25Å; A688-I692 WeakPolarHBondContact O-CG1 3.45Å; A688-I692 PolarHBondContact O-N 3.48Å; A688-I718 HydrophobicContact CB-CD1 3.93Å
689	F	85.6	Confident	85.7	Confident	44 Å²	44	50.5 Å²	50.5	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-43.7	175.1	-83.8	-62.5	0	0	0	112.6	Y685 V686 Y687 E691 I692 D693 I718 H719 M722	Y685-F689 VanDerWaalsContact O-CD2 3.25Å; Y685-F689 WeakPolarHBondContact O-CD2 3.44Å; Y685-F689 PolarHBondContact O-N 3.31Å; V686-F689 PolarHBondContact O-N 3.38Å; Y687-F689 VanDerWaalsContact C-N 3.34Å; Y687-F689 PolarHBondContact O-N 3.34Å; F689-E691 VanDerWaalsContact C-N 3.32Å; F689-E691 PolarHBondContact O-N 2.8Å; F689-I692 WeakPolarHBondContact O-CB 3.29Å; F689-I692 PolarHBondContact O-N 3.41Å; F689-I692 VanDerWaalsContact O-N 3.16Å; F689-D693 PolarHBondContact O-N 2.89Å; F689-I718 HydrophobicContact CD2-CG2 4.14Å; F689-I718 HydrophobicContact CE1-CG2 4.36Å; F689-I718 HydrophobicContact CE2-CB 4.38Å; F689-I718 HydrophobicContact CE2-CG2 3.31Å; F689-I718 HydrophobicContact CZ-CB 4.05Å; F689-I718 HydrophobicContact CZ-CG2 3.43Å; F689-I718 VanDerWaalsContact CZ-CG2 3.43Å; F689-H719 AromaticContact CE1-NE2 3.84Å; F689-H719 AromaticContact CZ-CE1 3.52Å; F689-H719 AromaticContact CZ-NE2 3.67Å; F689-M722 HydrophobicContact CD2-CE 4.33Å; F689-M722 HydrophobicContact CE2-CE 3.69Å; F689-M722 HydrophobicContact CE2-SD 4.42Å
690	N	87.4	Confident	85.8	Confident	89 Å²	89	55.7 Å²	55.7	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-43.6	176.5	-69.7	-12.7	0	0	0	111.8	V686 Y687 D693 I694	V686-N690 PolarHBondContact O-N 2.85Å; V686-N690 VanDerWaalsContact O-N 3.16Å; Y687-N690 PolarHBondContact O-N 2.89Å; N690-D693 PolarHBondContact O-N 3.27Å; N690-I694 WeakPolarHBondContact O-CG1 3.43Å; N690-I694 PolarHBondContact O-N 3.4Å
691	E	87.8	Confident	86	Confident	17 Å²	17	61 Å²	61	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-36.5	176.2	-73.9	-62.9	143.3	0	0	112.2	R602 H672 L675 I676 L679 Y687 A688 F689 D693 I694 T695	R602-E691 IonicContact CZ-OE1 3.63Å; R602-E691 IonicContact NH1-OE1 2.78Å; R602-E691 PolarHBondContact NH1-OE1 2.72Å; R602-E691 IonicContact NH1-OE2 3.6Å; H672-E691 IonicContact CE1-OE2 3.89Å; H672-E691 PolarHBondContact CE1-OE2 3.4Å; H672-E691 VanDerWaalsContact CE1-OE2 3.28Å; H672-E691 IonicContact ND1-OE2 2.72Å; H672-E691 PolarHBondContact ND1-OE2 3.03Å; L675-E691 HydrophobicContact CD2-CG 4.18Å; I676-E691 HydrophobicContact CD1-CB 4.39Å; I676-E691 HydrophobicContact CG1-CB 3.76Å; L679-E691 HydrophobicContact CD1-CG 4.01Å; Y687-E691 PolarHBondContact O-N 3.24Å; A688-E691 PolarHBondContact O-N 3.33Å; F689-E691 VanDerWaalsContact C-N 3.32Å; F689-E691 PolarHBondContact O-N 2.8Å; E691-D693 VanDerWaalsContact C-N 3.34Å; E691-D693 PolarHBondContact O-N 2.87Å; E691-I694 PolarHBondContact O-N 2.85Å; E691-T695 WeakPolarHBondContact O-CB 3.45Å; E691-T695 PolarHBondContact O-N 3.44Å; E691-T695 PolarHBondContact O-OG1 2.85Å
692	I	88.6	Confident	86.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-44.3	173.3	-81.3	167.6	0	0	0	111.4	I676 A688 F689 I694 T695 L696 I711 L714 Q715 I718	I676-I692 HydrophobicContact CD1-CG1 3.69Å; I676-I692 HydrophobicContact CG1-CG1 4.13Å; I676-I692 HydrophobicContact CG2-CD1 4.02Å; I676-I692 HydrophobicContact CG2-CG1 3.94Å; A688-I692 WeakPolarHBondContact O-CB 3.46Å; A688-I692 VanDerWaalsContact O-CG1 3.25Å; A688-I692 WeakPolarHBondContact O-CG1 3.45Å; A688-I692 PolarHBondContact O-N 3.48Å; F689-I692 WeakPolarHBondContact O-CB 3.29Å; F689-I692 PolarHBondContact O-N 3.41Å; F689-I692 VanDerWaalsContact O-N 3.16Å; I692-I694 VanDerWaalsContact C-N 3.34Å; I692-I694 PolarHBondContact O-N 3.47Å; I692-T695 PolarHBondContact O-N 2.91Å; I692-L696 WeakPolarHBondContact O-CB 3.46Å; I692-L696 PolarHBondContact O-N 2.96Å; I692-I711 HydrophobicContact CG2-CG2 3.64Å; I692-L714 HydrophobicContact CD1-CB 4.45Å; I692-Q715 HydrophobicContact CD1-CG 4.03Å; I692-Q715 HydrophobicContact CG2-CG 3.85Å; I692-Q715 VanDerWaalsContact CG2-NE2 3.29Å; I692-I718 HydrophobicContact CD1-CD1 3.3Å
693	D	86.9	Confident	86.2	Confident	58 Å²	58	61.1 Å²	61.1	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-38.3	-179.3	-69	-22.4	0	0	0	112	F689 N690 E691 K697	F689-D693 PolarHBondContact O-N 2.89Å; N690-D693 PolarHBondContact O-N 3.27Å; E691-D693 VanDerWaalsContact C-N 3.34Å; E691-D693 PolarHBondContact O-N 2.87Å; D693-K697 WeakPolarHBondContact O-CG 3.35Å; D693-K697 PolarHBondContact O-N 2.87Å
694	I	88.1	Confident	86.4	Confident	75 Å²	75	55.9 Å²	55.9	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-48.1	173.6	-64.6	166.5	0	0	0	110	N690 E691 I692 L696 K697 L698	N690-I694 WeakPolarHBondContact O-CG1 3.43Å; N690-I694 PolarHBondContact O-N 3.4Å; E691-I694 PolarHBondContact O-N 2.85Å; I692-I694 VanDerWaalsContact C-N 3.34Å; I692-I694 PolarHBondContact O-N 3.47Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 2.85Å; I694-K697 WeakPolarHBondContact O-CB 3.38Å; I694-K697 PolarHBondContact O-N 2.89Å; I694-L698 PolarHBondContact O-N 2.66Å; I694-L698 VanDerWaalsContact O-N 3.1Å
695	T	88.4	Confident	86.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-37.1	-179.1	-47.2	0	0	0	0	111.4	L669 H672 E691 I692 K697 L698 C699 I711	L669-T695 HydrophobicContact CD1-CG2 3.45Å; L669-T695 VanDerWaalsContact CD1-CG2 3.45Å; H672-T695 HydrophobicContact CB-CG2 3.87Å; H672-T695 VanDerWaalsContact CB-OG1 3.3Å; H672-T695 WeakPolarHBondContact CB-OG1 3.47Å; E691-T695 WeakPolarHBondContact O-CB 3.45Å; E691-T695 PolarHBondContact O-N 3.44Å; E691-T695 PolarHBondContact O-OG1 2.85Å; I692-T695 PolarHBondContact O-N 2.91Å; T695-K697 VanDerWaalsContact C-N 3.34Å; T695-K697 PolarHBondContact O-N 3.16Å; T695-L698 WeakPolarHBondContact O-CB 3.2Å; T695-L698 PolarHBondContact O-N 2.83Å; T695-C699 PolarHBondContact O-N 3.34Å; T695-C699 PolarHBondContact O-SG 3.19Å; T695-C699 VanDerWaalsContact O-SG 3.38Å; T695-I711 HydrophobicContact CG2-CD1 3.65Å; T695-I711 HydrophobicContact CG2-CG1 4.27Å
696	L	88.9	Confident	86	Confident	31 Å²	31	53.9 Å²	53.9	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-38.9	177.3	-174.3	64.7	0	0	0	111.5	I692 I694 L698 C699 K700 I708 I711	I692-L696 WeakPolarHBondContact O-CB 3.46Å; I692-L696 PolarHBondContact O-N 2.96Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 2.85Å; L696-L698 VanDerWaalsContact C-N 3.34Å; L696-C699 PolarHBondContact O-N 3.38Å; L696-K700 HydrophobicContact CG-CD 4.34Å; L696-K700 WeakPolarHBondContact O-CB 3.06Å; L696-K700 VanDerWaalsContact O-CG 3.3Å; L696-K700 WeakPolarHBondContact O-CG 3.39Å; L696-K700 PolarHBondContact O-N 2.93Å; L696-I708 HydrophobicContact CD1-CG1 4.46Å; L696-I708 HydrophobicContact CD1-CG2 4.27Å; L696-I711 HydrophobicContact CB-CD1 4.4Å; L696-I711 HydrophobicContact CD1-CD1 4.47Å
697	K	88.1	Confident	85.8	Confident	153 Å²	153	49.1 Å²	49.1	67%	0.665	22%	0.222	S	C	*	.	H	α-helix	trans	-63	-41.7	173.7	-70.4	170.1	-176.4	173.9	0	111.2	D693 I694 T695 K700 R701	D693-K697 WeakPolarHBondContact O-CG 3.35Å; D693-K697 PolarHBondContact O-N 2.87Å; I694-K697 WeakPolarHBondContact O-CB 3.38Å; I694-K697 PolarHBondContact O-N 2.89Å; T695-K697 VanDerWaalsContact C-N 3.34Å; T695-K697 PolarHBondContact O-N 3.16Å; K697-K700 PolarHBondContact O-N 3.47Å; K697-R701 WeakPolarHBondContact O-CB 3.11Å; K697-R701 PolarHBondContact O-N 3.47Å
698	L	87.2	Confident	85.7	Confident	8 Å²	8	44 Å²	44	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-52.2	174.7	-179.6	69.6	0	0	0	111.5	E668 L669 I694 T695 L696 K700 R701 Y702	E668-L698 HydrophobicContact CB-CD2 4.02Å; E668-L698 HydrophobicContact CG-CD2 3.73Å; L669-L698 HydrophobicContact CB-CD2 4.31Å; I694-L698 PolarHBondContact O-N 2.66Å; I694-L698 VanDerWaalsContact O-N 3.1Å; T695-L698 WeakPolarHBondContact O-CB 3.2Å; T695-L698 PolarHBondContact O-N 2.83Å; L696-L698 VanDerWaalsContact C-N 3.34Å; L698-K700 VanDerWaalsContact C-N 3.31Å; L698-K700 PolarHBondContact O-N 3.33Å; L698-R701 WeakPolarHBondContact O-CB 3.43Å; L698-R701 PolarHBondContact O-N 3.01Å; L698-R701 VanDerWaalsContact O-N 3.15Å; L698-Y702 HydrophobicContact CD1-CD2 3.69Å; L698-Y702 HydrophobicContact CD1-CE2 3.62Å; L698-Y702 HydrophobicContact CG-CD2 4.37Å; L698-Y702 PolarHBondContact O-N 3.1Å; L698-Y702 VanDerWaalsContact O-N 3.09Å
699	C	87.4	Confident	85.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-39.9	179.5	-71.4	0	0	0	0	112.4	L669 T695 L696 R703 L704 I708 I711	L669-C699 WeakPolarHBondContact CD1-SG 3.49Å; T695-C699 PolarHBondContact O-N 3.34Å; T695-C699 PolarHBondContact O-SG 3.19Å; T695-C699 VanDerWaalsContact O-SG 3.38Å; L696-C699 PolarHBondContact O-N 3.38Å; C699-R703 CarbonylContact O-C 3.5Å; C699-R703 VanDerWaalsContact O-CA 3.26Å; C699-R703 WeakPolarHBondContact O-CA 3.07Å; C699-R703 PolarHBondContact O-N 3.13Å; C699-L704 HydrophobicContact CB-CB 4.37Å; C699-L704 PolarHBondContact O-N 3.28Å; C699-I708 HydrophobicContact CB-CD1 4.47Å; C699-I708 HydrophobicContact CB-CG1 3.65Å; C699-I711 HydrophobicContact CB-CD1 4.47Å
700	K	87.6	Confident	85.2	Confident	118 Å²	118	43.4 Å²	43.4	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-41.3	175.5	-75.2	175.4	179.6	176.2	0	112	L696 K697 L698 Y702 R703 I708	L696-K700 HydrophobicContact CG-CD 4.34Å; L696-K700 WeakPolarHBondContact O-CB 3.06Å; L696-K700 VanDerWaalsContact O-CG 3.3Å; L696-K700 WeakPolarHBondContact O-CG 3.39Å; L696-K700 PolarHBondContact O-N 2.93Å; K697-K700 PolarHBondContact O-N 3.47Å; L698-K700 VanDerWaalsContact C-N 3.31Å; L698-K700 PolarHBondContact O-N 3.33Å; K700-Y702 PolarHBondContact O-N 3.28Å; K700-R703 PolarHBondContact O-N 3.29Å; K700-I708 HydrophobicContact CG-CD1 4.44Å
701	R	86.4	Confident	84.9	Confident	119 Å²	119	39.2 Å²	39.2	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-44.3	178.4	-179.4	176.2	178.3	170.7	-1.3	112.2	C616 K697 L698	C616-R701 PolarHBondContact SG-NH2 2.96Å; K697-R701 WeakPolarHBondContact O-CB 3.11Å; K697-R701 PolarHBondContact O-N 3.47Å; L698-R701 WeakPolarHBondContact O-CB 3.43Å; L698-R701 PolarHBondContact O-N 3.01Å; L698-R701 VanDerWaalsContact O-N 3.15Å
702	Y	84.3	Confident	84.5	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-96.5	1.8	-178.2	-70.2	-80.6	0	0	0	114.1	D436 A665 L698 K700 L704	D436-Y702 WeakPolarHBondContact O-CE1 3.36Å; A665-Y702 HydrophobicContact CB-CD1 4.09Å; A665-Y702 HydrophobicContact CB-CD2 3.69Å; A665-Y702 HydrophobicContact CB-CE1 4Å; A665-Y702 HydrophobicContact CB-CE2 3.62Å; A665-Y702 HydrophobicContact CB-CG 3.93Å; L698-Y702 HydrophobicContact CD1-CD2 3.69Å; L698-Y702 HydrophobicContact CD1-CE2 3.62Å; L698-Y702 HydrophobicContact CG-CD2 4.37Å; L698-Y702 PolarHBondContact O-N 3.1Å; L698-Y702 VanDerWaalsContact O-N 3.09Å; K700-Y702 PolarHBondContact O-N 3.28Å; Y702-L704 VanDerWaalsContact C-N 3.28Å; Y702-L704 PolarHBondContact O-N 3.31Å
703	R	84.8	Confident	83.9	Confident	100 Å²	100	41.8 Å²	41.8	38%	0.377	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	39.9	-178.9	-55.4	175.2	178.1	-121.1	4.5	113.6	G438 E440 Y474 C699 K700 S705	G438-R703 VanDerWaalsContact O-CD 3.27Å; G438-R703 WeakPolarHBondContact O-CD 3.21Å; G438-R703 PolarHBondContact O-NE 3.05Å; E440-R703 VanDerWaalsContact CD-NH2 3.34Å; E440-R703 VanDerWaalsContact CG-CZ 3.42Å; E440-R703 IonicContact OE1-CZ 3.37Å; E440-R703 IonicContact OE1-NH1 2.73Å; E440-R703 PolarHBondContact OE1-NH1 2.89Å; E440-R703 IonicContact OE1-NH2 3.22Å; E440-R703 PolarHBondContact OE1-NH2 3.44Å; E440-R703 IonicContact OE2-NH1 2.73Å; E440-R703 PolarHBondContact OE2-NH1 3.44Å; E440-R703 VanDerWaalsContact OE2-NH1 3.07Å; Y474-R703 HydrophobicContact CE1-CB 4.36Å; C699-R703 CarbonylContact O-C 3.5Å; C699-R703 VanDerWaalsContact O-CA 3.26Å; C699-R703 WeakPolarHBondContact O-CA 3.07Å; C699-R703 PolarHBondContact O-N 3.13Å; K700-R703 PolarHBondContact O-N 3.29Å; R703-S705 VanDerWaalsContact C-N 3.33Å; R703-S705 PolarHBondContact O-N 3.4Å
704	L	84.2	Confident	83.4	Confident	6 Å²	6	39 Å²	39	3%	0.031	18%	0.176	C	C	.	.			trans	-79.4	80.5	178.1	-60.9	174.5	0	0	0	109.7	F473 L666 L669 C699 Y702 L706 G707 I708	F473-L704 HydrophobicContact CD1-CD2 4.31Å; F473-L704 HydrophobicContact CD2-CD2 4.44Å; F473-L704 HydrophobicContact CE1-CD2 3.78Å; F473-L704 HydrophobicContact CE2-CD2 3.89Å; F473-L704 HydrophobicContact CZ-CD2 3.55Å; F473-L704 HydrophobicContact CZ-CG 4.5Å; L666-L704 HydrophobicContact CD2-CD1 4.11Å; L666-L704 HydrophobicContact CD2-CD2 3.79Å; L669-L704 HydrophobicContact CD2-CB 4.38Å; L669-L704 HydrophobicContact CD2-CD1 3.73Å; C699-L704 HydrophobicContact CB-CB 4.37Å; C699-L704 PolarHBondContact O-N 3.28Å; Y702-L704 VanDerWaalsContact C-N 3.28Å; Y702-L704 PolarHBondContact O-N 3.31Å; L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 2.97Å; L704-G707 PolarHBondContact O-N 3.41Å; L704-I708 PolarHBondContact O-N 3.27Å; L704-I708 VanDerWaalsContact O-N 3.1Å
705	S	81.1	Confident	83	Confident	25 Å²	25	36.4 Å²	36.4	18%	0.175	16%	0.162	C	C	.	.	H	α-helix	trans	-54	-46.1	-176	61.5	0	0	0	0	112.5	Y474 R703 G707 I708 E709 R783	Y474-S705 PolarHBondContact O-OG 3.01Å; R703-S705 VanDerWaalsContact C-N 3.33Å; R703-S705 PolarHBondContact O-N 3.4Å; S705-G707 VanDerWaalsContact C-N 3.3Å; S705-G707 PolarHBondContact O-N 3.21Å; S705-I708 WeakPolarHBondContact O-CB 3.36Å; S705-I708 PolarHBondContact O-N 3Å; S705-I708 VanDerWaalsContact O-N 3.1Å; S705-E709 PolarHBondContact O-N 3.36Å; S705-E709 VanDerWaalsContact O-N 3.1Å; S705-R783 PolarHBondContact OG-NH1 3.12Å
706	L	78.6	Confident	82.2	Confident	36 Å²	36	36.6 Å²	36.6	19%	0.188	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-40.6	178	178.2	59.8	0	0	0	112.4	L704 I708 E709 M710 I780 T784	L704-L706 VanDerWaalsContact C-N 3.32Å; L704-L706 PolarHBondContact O-N 2.97Å; L706-I708 VanDerWaalsContact C-N 3.31Å; L706-I708 PolarHBondContact O-N 2.93Å; L706-E709 PolarHBondContact O-N 3.38Å; L706-M710 HydrophobicContact CD1-CE 4.17Å; L706-M710 HydrophobicContact CD1-CG 4.45Å; L706-M710 HydrophobicContact CD2-CE 4.15Å; L706-M710 HydrophobicContact CG-CE 4.05Å; L706-M710 HydrophobicContact CG-SD 4.27Å; L706-M710 WeakPolarHBondContact O-CG 3.03Å; L706-M710 PolarHBondContact O-N 2.96Å; L706-I780 HydrophobicContact CD1-CG1 4.15Å; L706-T784 HydrophobicContact CD1-CG2 3.21Å; L706-T784 HydrophobicContact CD2-CG2 3.84Å; L706-T784 HydrophobicContact CG-CG2 4.13Å
707	G	81.1	Confident	81.3	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-36.7	176.1	0	0	0	0	0	112.5	L704 S705 M710 I711	L704-G707 PolarHBondContact O-N 3.41Å; S705-G707 VanDerWaalsContact C-N 3.3Å; S705-G707 PolarHBondContact O-N 3.21Å; G707-M710 PolarHBondContact O-N 3.22Å; G707-I711 WeakPolarHBondContact O-CD1 3.17Å; G707-I711 WeakPolarHBondContact O-CG1 3.45Å; G707-I711 PolarHBondContact O-N 2.77Å
708	I	83.5	Confident	80.7	Confident	39 Å²	39	28 Å²	28	20%	0.2	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-46.8	175	-61.7	173.9	0	0	0	110.4	L696 C699 K700 L704 S705 L706 M710 I711 K712	L696-I708 HydrophobicContact CD1-CG1 4.46Å; L696-I708 HydrophobicContact CD1-CG2 4.27Å; C699-I708 HydrophobicContact CB-CD1 4.47Å; C699-I708 HydrophobicContact CB-CG1 3.65Å; K700-I708 HydrophobicContact CG-CD1 4.44Å; L704-I708 PolarHBondContact O-N 3.27Å; L704-I708 VanDerWaalsContact O-N 3.1Å; S705-I708 WeakPolarHBondContact O-CB 3.36Å; S705-I708 PolarHBondContact O-N 3Å; S705-I708 VanDerWaalsContact O-N 3.1Å; L706-I708 VanDerWaalsContact C-N 3.31Å; L706-I708 PolarHBondContact O-N 2.93Å; I708-M710 PolarHBondContact O-N 2.53Å; I708-I711 PolarHBondContact O-N 2.72Å; I708-K712 WeakPolarHBondContact O-CG 3.5Å; I708-K712 PolarHBondContact O-N 3.15Å
709	E	79.4	Confident	79.8	Confident	9 Å²	9	28.9 Å²	28.9	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-65.3	-38.6	178.9	-60.2	-48.9	121.3	0	0	112.1	S705 L706 I711 K712 L713 S776 E779 I780	S705-E709 PolarHBondContact O-N 3.36Å; S705-E709 VanDerWaalsContact O-N 3.1Å; L706-E709 PolarHBondContact O-N 3.38Å; E709-I711 PolarHBondContact O-N 3.37Å; E709-K712 PolarHBondContact O-N 3.34Å; E709-K712 IonicContact OE1-NZ 3.63Å; E709-K712 PolarHBondContact OE1-NZ 2.72Å; E709-K712 WeakPolarHBondContact OE2-CD 3.41Å; E709-K712 IonicContact OE2-NZ 3.94Å; E709-K712 PolarHBondContact OE2-NZ 3.18Å; E709-L713 PolarHBondContact O-N 3.35Å; E709-L713 VanDerWaalsContact O-N 3.13Å; E709-S776 VanDerWaalsContact OE2-CA 3.3Å; E709-S776 WeakPolarHBondContact OE2-CA 3.28Å; E709-S776 WeakPolarHBondContact OE2-CB 3.24Å; E709-S776 PolarHBondContact OE2-OG 3.39Å; E709-E779 HydrophobicContact CG-CB 4.34Å; E709-E779 HydrophobicContact CG-CG 4.09Å; E709-E779 WeakPolarHBondContact CG-OE2 3.37Å; E709-I780 HydrophobicContact CB-CD1 3.73Å; E709-I780 HydrophobicContact CB-CG1 3.63Å
710	M	78.9	Confident	78.9	Confident	24 Å²	24	30 Å²	30	12%	0.118	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-41.4	173.4	-74.8	177.5	165.9	0	0	112.5	L673 L706 G707 I708 L713 L714 T784 T788 L885	L673-M710 HydrophobicContact CD1-SD 4.04Å; L706-M710 HydrophobicContact CD1-CE 4.17Å; L706-M710 HydrophobicContact CD1-CG 4.45Å; L706-M710 HydrophobicContact CD2-CE 4.15Å; L706-M710 HydrophobicContact CG-CE 4.05Å; L706-M710 HydrophobicContact CG-SD 4.27Å; L706-M710 WeakPolarHBondContact O-CG 3.03Å; L706-M710 PolarHBondContact O-N 2.96Å; G707-M710 PolarHBondContact O-N 3.22Å; I708-M710 PolarHBondContact O-N 2.53Å; M710-L713 PolarHBondContact O-N 3.05Å; M710-L714 PolarHBondContact O-N 3.28Å; M710-T784 HydrophobicContact CE-CG2 4.49Å; M710-T788 HydrophobicContact CE-CG2 3.92Å; M710-L885 HydrophobicContact CB-CD2 3.97Å; M710-L885 HydrophobicContact CE-CD2 3.91Å; M710-L885 HydrophobicContact CG-CD2 3.65Å; M710-L885 HydrophobicContact SD-CD2 3.64Å
711	I	82.6	Confident	77.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-41.9	176.7	-70.2	163.9	0	0	0	111	L673 I692 T695 L696 C699 G707 I708 E709 L713 L714 Q715	L673-I711 HydrophobicContact CD2-CG1 4.18Å; I692-I711 HydrophobicContact CG2-CG2 3.64Å; T695-I711 HydrophobicContact CG2-CD1 3.65Å; T695-I711 HydrophobicContact CG2-CG1 4.27Å; L696-I711 HydrophobicContact CB-CD1 4.4Å; L696-I711 HydrophobicContact CD1-CD1 4.47Å; C699-I711 HydrophobicContact CB-CD1 4.47Å; G707-I711 WeakPolarHBondContact O-CD1 3.17Å; G707-I711 WeakPolarHBondContact O-CG1 3.45Å; G707-I711 PolarHBondContact O-N 2.77Å; I708-I711 PolarHBondContact O-N 2.72Å; E709-I711 PolarHBondContact O-N 3.37Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.16Å; I711-L714 PolarHBondContact O-N 3.38Å; I711-Q715 HydrophobicContact CG2-CG 4.41Å; I711-Q715 WeakPolarHBondContact O-CG 3.24Å; I711-Q715 PolarHBondContact O-N 2.86Å
712	K	78	Confident	77	Confident	70 Å²	70	23 Å²	23	30%	0.304	11%	0.112	S	C	.	.	H	α-helix	trans	-58.7	-41.8	175.3	-69.8	172.9	-178.3	169.7	0	111.6	I708 E709 Q715 C716	I708-K712 WeakPolarHBondContact O-CG 3.5Å; I708-K712 PolarHBondContact O-N 3.15Å; E709-K712 PolarHBondContact O-N 3.34Å; E709-K712 IonicContact OE1-NZ 3.63Å; E709-K712 PolarHBondContact OE1-NZ 2.72Å; E709-K712 WeakPolarHBondContact OE2-CD 3.41Å; E709-K712 IonicContact OE2-NZ 3.94Å; E709-K712 PolarHBondContact OE2-NZ 3.18Å; K712-Q715 PolarHBondContact O-N 3.28Å; K712-C716 PolarHBondContact O-N 3.41Å
713	L	76.1	Confident	75.7	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-42.7	174.9	-69.7	-177.1	0	0	0	112.5	E709 M710 I711 Q715 C716 A717 L773 L777 I780 C792 F795 I884	E709-L713 PolarHBondContact O-N 3.35Å; E709-L713 VanDerWaalsContact O-N 3.13Å; M710-L713 PolarHBondContact O-N 3.05Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.16Å; L713-Q715 VanDerWaalsContact C-N 3.35Å; L713-C716 WeakPolarHBondContact O-CB 3.13Å; L713-C716 PolarHBondContact O-N 2.87Å; L713-A717 PolarHBondContact O-N 3.21Å; L713-L773 HydrophobicContact CD2-CG 4.49Å; L713-L777 HydrophobicContact CD1-CD2 4.12Å; L713-L777 HydrophobicContact CD2-CD2 3.98Å; L713-L777 HydrophobicContact CD2-CG 4.23Å; L713-I780 HydrophobicContact CD1-CD1 3.28Å; L713-I780 HydrophobicContact CG-CD1 3.9Å; L713-C792 HydrophobicContact CD1-CB 4.49Å; L713-C792 VanDerWaalsContact CD1-SG 3.5Å; L713-F795 HydrophobicContact CD2-CD1 4.23Å; L713-F795 HydrophobicContact CD2-CE1 4.14Å; L713-I884 HydrophobicContact CB-CG2 4.15Å; L713-I884 HydrophobicContact CD1-CG2 4.39Å
714	L	77.7	Confident	74	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-40.8	175.2	-74.7	167.7	0	0	0	112	L673 I676 I680 I692 M710 I711 A717 I718 I884 L885	L673-L714 HydrophobicContact CD2-CD1 3.68Å; I676-L714 HydrophobicContact CB-CD1 4.46Å; I676-L714 HydrophobicContact CG2-CD1 3.96Å; I676-L714 HydrophobicContact CG2-CD2 4.35Å; I680-L714 HydrophobicContact CD1-CD2 3.81Å; I692-L714 HydrophobicContact CD1-CB 4.45Å; M710-L714 PolarHBondContact O-N 3.28Å; I711-L714 PolarHBondContact O-N 3.38Å; L714-A717 PolarHBondContact O-N 3.48Å; L714-I718 WeakPolarHBondContact O-CG1 3.5Å; L714-I718 PolarHBondContact O-N 3.34Å; L714-I884 HydrophobicContact CD2-CB 4.21Å; L714-I884 HydrophobicContact CD2-CD1 3.69Å; L714-I884 HydrophobicContact CD2-CG1 4.29Å; L714-I884 HydrophobicContact CG-CD1 4.23Å; L714-L885 HydrophobicContact CD1-CD1 3.59Å; L714-L885 HydrophobicContact CD2-CD1 4.28Å; L714-L885 HydrophobicContact CG-CD1 4.11Å
715	Q	78.8	Confident	71.7	Confident	19 Å²	19	32 Å²	32	9%	0.089	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-48.6	173.5	-73.7	176.2	-26.3	0	0	110.9	I692 I711 K712 L713 A717 I718 H719 W758	I692-Q715 HydrophobicContact CD1-CG 4.03Å; I692-Q715 HydrophobicContact CG2-CG 3.85Å; I692-Q715 VanDerWaalsContact CG2-NE2 3.29Å; I711-Q715 HydrophobicContact CG2-CG 4.41Å; I711-Q715 WeakPolarHBondContact O-CG 3.24Å; I711-Q715 PolarHBondContact O-N 2.86Å; K712-Q715 PolarHBondContact O-N 3.28Å; L713-Q715 VanDerWaalsContact C-N 3.35Å; Q715-A717 VanDerWaalsContact C-N 3.3Å; Q715-A717 PolarHBondContact O-N 2.6Å; Q715-I718 PolarHBondContact O-N 2.65Å; Q715-H719 PolarHBondContact O-CD2 3.45Å; Q715-H719 PolarHBondContact O-N 3.37Å; Q715-W758 HydrophobicContact CB-CZ3 4.01Å
716	C	71.5	Confident	69.2	Low	5 Å²	5	37.3 Å²	37.3	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-53.9	-45.9	173.6	-84.2	0	0	0	0	112.5	K712 L713 I718 H719 L720 W758 L773 F795	K712-C716 PolarHBondContact O-N 3.41Å; L713-C716 WeakPolarHBondContact O-CB 3.13Å; L713-C716 PolarHBondContact O-N 2.87Å; C716-I718 VanDerWaalsContact C-N 3.35Å; C716-I718 PolarHBondContact O-N 3.21Å; C716-H719 PolarHBondContact O-N 3.18Å; C716-L720 VanDerWaalsContact O-CG 3.31Å; C716-L720 WeakPolarHBondContact O-CG 3.37Å; C716-L720 PolarHBondContact O-N 3.34Å; C716-W758 HydrophobicContact CB-CH2 4.43Å; C716-W758 WeakPolarHBondContact SG-CH2 3.47Å; C716-L773 HydrophobicContact CB-CD1 4.18Å; C716-L773 VanDerWaalsContact SG-CD1 3.54Å; C716-F795 HydrophobicContact CB-CE1 4.23Å; C716-F795 HydrophobicContact CB-CZ 4.03Å
717	A	71.1	Confident	66.9	Low	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-40.3	-178.9	0	0	0	0	0	113.1	L713 L714 Q715 H719 L720 S721 F795 V882 I884	L713-A717 PolarHBondContact O-N 3.21Å; L714-A717 PolarHBondContact O-N 3.48Å; Q715-A717 VanDerWaalsContact C-N 3.3Å; Q715-A717 PolarHBondContact O-N 2.6Å; A717-H719 VanDerWaalsContact C-N 3.35Å; A717-L720 PolarHBondContact O-N 3.18Å; A717-S721 WeakPolarHBondContact O-CB 3.29Å; A717-S721 PolarHBondContact O-N 3.11Å; A717-S721 PolarHBondContact O-OG 3.38Å; A717-F795 HydrophobicContact CB-CE2 3.48Å; A717-F795 VanDerWaalsContact CB-CE2 3.48Å; A717-F795 HydrophobicContact CB-CZ 3.72Å; A717-V882 HydrophobicContact CB-CG1 3.66Å; A717-I884 HydrophobicContact CB-CD1 3.23Å; A717-I884 HydrophobicContact CB-CG1 4.28Å
718	I	74.2	Confident	64.5	Low	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-48.6	175.1	-67.2	164.2	0	0	0	109.4	I680 Y685 A688 F689 I692 L714 Q715 C716 L720 S721 M722	I680-I718 HydrophobicContact CD1-CD1 3.92Å; I680-I718 HydrophobicContact CD1-CG1 3.62Å; I680-I718 HydrophobicContact CG1-CD1 4.03Å; I680-I718 HydrophobicContact CG1-CG1 3.65Å; Y685-I718 HydrophobicContact CD1-CG2 3.87Å; Y685-I718 HydrophobicContact CG-CG2 4.16Å; A688-I718 HydrophobicContact CB-CD1 3.93Å; F689-I718 HydrophobicContact CD2-CG2 4.14Å; F689-I718 HydrophobicContact CE1-CG2 4.36Å; F689-I718 HydrophobicContact CE2-CB 4.38Å; F689-I718 HydrophobicContact CE2-CG2 3.31Å; F689-I718 HydrophobicContact CZ-CB 4.05Å; F689-I718 HydrophobicContact CZ-CG2 3.43Å; F689-I718 VanDerWaalsContact CZ-CG2 3.43Å; I692-I718 HydrophobicContact CD1-CD1 3.3Å; L714-I718 WeakPolarHBondContact O-CG1 3.5Å; L714-I718 PolarHBondContact O-N 3.34Å; Q715-I718 PolarHBondContact O-N 2.65Å; C716-I718 VanDerWaalsContact C-N 3.35Å; C716-I718 PolarHBondContact O-N 3.21Å; I718-L720 PolarHBondContact O-N 2.99Å; I718-S721 PolarHBondContact O-N 3.24Å; I718-S721 PolarHBondContact O-OG 3.43Å; I718-M722 HydrophobicContact CG2-CE 3.98Å; I718-M722 WeakPolarHBondContact O-CG 3.45Å; I718-M722 PolarHBondContact O-N 3.14Å
719	H	69	Low	62.1	Low	27 Å²	27	50.1 Å²	50.1	13%	0.125	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-44.5	179.1	-71.6	-60	0	0	0	113	F689 Q715 C716 A717 S721 M722 N723	F689-H719 AromaticContact CE1-NE2 3.84Å; F689-H719 AromaticContact CZ-CE1 3.52Å; F689-H719 AromaticContact CZ-NE2 3.67Å; Q715-H719 PolarHBondContact O-CD2 3.45Å; Q715-H719 PolarHBondContact O-N 3.37Å; C716-H719 PolarHBondContact O-N 3.18Å; A717-H719 VanDerWaalsContact C-N 3.35Å; H719-S721 VanDerWaalsContact C-N 3.31Å; H719-S721 PolarHBondContact O-N 3.38Å; H719-M722 PolarHBondContact O-N 3.22Å; H719-N723 PolarHBondContact O-N 3.34Å
720	L	67.2	Low	59.9	Low	25 Å²	25	56.3 Å²	56.3	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-41	175.5	-70	163.9	0	0	0	111.8	C716 A717 I718 M722 N723 N724 F795 T799 M803	C716-L720 VanDerWaalsContact O-CG 3.31Å; C716-L720 WeakPolarHBondContact O-CG 3.37Å; C716-L720 PolarHBondContact O-N 3.34Å; A717-L720 PolarHBondContact O-N 3.18Å; I718-L720 PolarHBondContact O-N 2.99Å; L720-M722 VanDerWaalsContact C-N 3.29Å; L720-M722 PolarHBondContact O-N 3.41Å; L720-N723 PolarHBondContact O-N 3.12Å; L720-N724 PolarHBondContact O-N 2.98Å; L720-F795 HydrophobicContact CD1-CE2 4.35Å; L720-F795 HydrophobicContact CD1-CZ 4.03Å; L720-T799 HydrophobicContact CD1-CG2 3.54Å; L720-T799 VanDerWaalsContact CD1-OG1 3.23Å; L720-T799 WeakPolarHBondContact CD1-OG1 3.49Å; L720-T799 HydrophobicContact CD2-CG2 4.12Å; L720-T799 HydrophobicContact CG-CG2 4.43Å; L720-M803 HydrophobicContact CD2-SD 4.31Å
721	S	67.6	Low	57.6	Low	22 Å²	22	62.2 Å²	62.2	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-28	178.4	76.5	0	0	0	0	113.2	Y685 A717 I718 H719	Y685-S721 WeakPolarHBondContact CE1-OG 3.3Å; Y685-S721 VanDerWaalsContact CZ-OG 3.27Å; Y685-S721 PolarHBondContact OH-OG 2.97Å; A717-S721 WeakPolarHBondContact O-CB 3.29Å; A717-S721 PolarHBondContact O-N 3.11Å; A717-S721 PolarHBondContact O-OG 3.38Å; I718-S721 PolarHBondContact O-N 3.24Å; I718-S721 PolarHBondContact O-OG 3.43Å; H719-S721 VanDerWaalsContact C-N 3.31Å; H719-S721 PolarHBondContact O-N 3.38Å
722	M	67	Low	55.2	Low	67 Å²	67	69.1 Å²	69.1	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-75.2	-42.4	172.6	-71.5	-169.8	175	0	0	112.5	Y685 F689 I718 H719 L720 N724 K725	Y685-M722 HydrophobicContact CD2-CE 3.89Å; Y685-M722 HydrophobicContact CD2-CG 4.16Å; Y685-M722 HydrophobicContact CE2-CG 4.46Å; Y685-M722 HydrophobicContact CG-CE 3.74Å; Y685-M722 HydrophobicContact CG-CG 4.48Å; F689-M722 HydrophobicContact CD2-CE 4.33Å; F689-M722 HydrophobicContact CE2-CE 3.69Å; F689-M722 HydrophobicContact CE2-SD 4.42Å; I718-M722 HydrophobicContact CG2-CE 3.98Å; I718-M722 WeakPolarHBondContact O-CG 3.45Å; I718-M722 PolarHBondContact O-N 3.14Å; H719-M722 PolarHBondContact O-N 3.22Å; L720-M722 VanDerWaalsContact C-N 3.29Å; L720-M722 PolarHBondContact O-N 3.41Å; M722-N724 VanDerWaalsContact C-N 3.31Å; M722-N724 PolarHBondContact O-N 3.47Å; M722-K725 WeakPolarHBondContact O-CB 3.21Å; M722-K725 PolarHBondContact O-N 2.9Å; M722-K725 VanDerWaalsContact O-N 3.09Å
723	N	58	Low	52.9	Low	84 Å²	84	73.3 Å²	73.3	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-31.2	-176.7	-78.2	-7.5	0	0	0	113.2	H719 L720 K725 M726	H719-N723 PolarHBondContact O-N 3.34Å; L720-N723 PolarHBondContact O-N 3.12Å; N723-K725 PolarHBondContact O-N 2.83Å; N723-M726 PolarHBondContact O-N 3.31Å
724	N	48.4	Very low	50.7	Low	85 Å²	85	81.5 Å²	81.5	46%	0.455	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.2	173.5	-82.4	-12.8	0	0	0	114.3	L720 M722	L720-N724 PolarHBondContact O-N 2.98Å; M722-N724 VanDerWaalsContact C-N 3.31Å; M722-N724 PolarHBondContact O-N 3.47Å
725	K	35.6	Very low	48.5	Very low	128 Å²	128	87.9 Å²	87.9	56%	0.557	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-20.7	173	-78.2	-176.2	174.3	-178.8	0	114.4	M722 N723	M722-K725 WeakPolarHBondContact O-CB 3.21Å; M722-K725 PolarHBondContact O-N 2.9Å; M722-K725 VanDerWaalsContact O-N 3.09Å; N723-K725 PolarHBondContact O-N 2.83Å
726	M	28.4	Very low	46.3	Very low	138 Å²	138	92.5 Å²	92.5	68%	0.68	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-33.7	179.1	-69.4	-149.8	-174.4	0	0	112.2	N723 I728 N729	N723-M726 PolarHBondContact O-N 3.31Å; M726-I728 PolarHBondContact O-N 3.29Å; M726-I728 VanDerWaalsContact O-N 3.16Å; M726-N729 PolarHBondContact O-N 2.96Å
727	A	30.3	Very low	44.6	Very low	77 Å²	77	99.2 Å²	99.2	64%	0.636	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.9	179.6	0	0	0	0	0	115.1
728	I	32.4	Very low	42.9	Very low	137 Å²	137	107.3 Å²	107.3	70%	0.703	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-9.9	-178.8	-60	176.3	0	0	0	111.9	M726	M726-I728 PolarHBondContact O-N 3.29Å; M726-I728 VanDerWaalsContact O-N 3.16Å
729	N	31.2	Very low	40.9	Very low	131 Å²	131	116.5 Å²	116.5	70%	0.701	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-4	-175.6	-78	-7.8	0	0	0	115.4	M726	M726-N729 PolarHBondContact O-N 2.96Å
730	D	33.3	Very low	39.1	Very low	140 Å²	140	122.6 Å²	122.6	75%	0.749	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	1.2	-176.5	-80.4	-18.7	0	0	0	115
731	D	31.9	Very low	37.5	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	11.1	180	-84.3	-18.7	0	0	0	115
732	N	30.6	Very low	35.6	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	72%	0.722	S	S	*	*	S	Bend	trans	-142.6	68.6	177.5	-83.1	-40.1	0	0	0	112.7
733	N	29.9	Very low	34	Very low	158 Å²	158	141 Å²	141	85%	0.845	75%	0.747	S	S	*	*			trans	-173.8	86.9	141.1	-97.9	-21.3	0	0	0	111	N735	N733-N735 VanDerWaalsContact C-N 3.32Å; N733-N735 PolarHBondContact O-N 2.89Å
734	N	30	Very low	32.6	Very low	173 Å²	173	143.4 Å²	143.4	93%	0.925	76%	0.759	S	S	*	*			trans	-65.3	93.1	156.6	-80.3	-37.4	0	0	0	108.8
735	N	32.6	Very low	31.6	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	78%	0.779	S	S	*	*			trans	-149.4	100.7	156.6	-141.1	0.4	0	0	0	111.3	N733 N737	N733-N735 VanDerWaalsContact C-N 3.32Å; N733-N735 PolarHBondContact O-N 2.89Å; N735-N737 PolarHBondContact O-N 3.44Å; N735-N737 VanDerWaalsContact O-N 3.15Å
736	P	32	Very low	31.3	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	79%	0.789	S	S	*	*			trans	-86.9	81.3	-179.6	33.9	-28.5	0	0	0	108.4
737	N	35.8	Very low	31.4	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	79%	0.794	S	S	*	*			trans	-157.3	8.4	172.2	-103.9	-15.5	0	0	0	119.4	N735	N735-N737 PolarHBondContact O-N 3.44Å; N735-N737 VanDerWaalsContact O-N 3.15Å
738	D	35.4	Very low	31.2	Very low	173 Å²	173	153 Å²	153	93%	0.925	80%	0.799	S	S	*	*			trans	-107.3	81.3	173.5	-84.4	-29.3	0	0	0	112.3
739	K	32	Very low	31.1	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	81%	0.807	S	S	*	*			trans	-91.1	112.1	155.3	-77.1	179.8	178.1	175.3	0	107.9
740	N	31	Very low	31	Very low	155 Å²	155	155.3 Å²	155.3	83%	0.829	81%	0.813	S	S	*	*			trans	135.9	101.8	149	-72.3	-25.7	0	0	0	112.6
741	T	33.5	Very low	30.9	Very low	147 Å²	147	156.3 Å²	156.3	90%	0.902	82%	0.819	S	S	*	*			trans	-160.9	117.8	134.8	31.4	0	0	0	0	110.1
742	K	28.5	Very low	31	Very low	191 Å²	191	154 Å²	154	83%	0.83	81%	0.81	S	S	*	*			trans	-56.7	154.7	165.2	-71.3	168.7	168.3	176.9	0	111.5
743	I	32.3	Very low	31.3	Very low	164 Å²	164	150.9 Å²	150.9	84%	0.841	79%	0.793	S	S	*	*			trans	169.5	142	144.8	-81.5	144.6	0	0	0	105.8
744	D	29.1	Very low	31.7	Very low	134 Å²	134	147.4 Å²	147.4	72%	0.717	78%	0.779	S	S	*	*			cis	-158	152.3	-43	-102.6	-34.6	0	0	0	104.9
745	H	27.8	Very low	32.1	Very low	186 Å²	186	140.3 Å²	140.3	86%	0.861	74%	0.743	S	S	*	*			trans	-64.3	132.2	179.6	-71.2	-84.7	0	0	0	113
746	I	30.2	Very low	32.5	Very low	149 Å²	149	136.2 Å²	136.2	76%	0.764	73%	0.725	S	S	*	*			trans	-143.1	116.3	155.4	-63.3	-171	0	0	0	111.4
747	H	29.6	Very low	32.9	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.796	71%	0.714	S	S	*	*			trans	66.9	98.4	154	-64.2	-50.5	0	0	0	123.2
748	T	26	Very low	33.2	Very low	122 Å²	122	130.7 Å²	130.7	75%	0.748	69%	0.685	S	S	*	*			trans	-50.8	122.4	144	49.2	0	0	0	0	113.1
749	N	30.1	Very low	33.6	Very low	160 Å²	160	125.2 Å²	125.2	86%	0.856	66%	0.655	S	S	*	*			trans	-145.3	125.1	149.1	-100.5	-14.9	0	0	0	108.5	D751	N749-D751 PolarHBondContact O-N 2.95Å
750	N	28.7	Very low	33.9	Very low	157 Å²	157	121.6 Å²	121.6	84%	0.84	64%	0.641	S	S	*	*			trans	-78.3	78.3	-172.5	-74.2	-27	0	0	0	112
751	D	31.2	Very low	34.4	Very low	161 Å²	161	115.3 Å²	115.3	86%	0.861	61%	0.613	S	S	*	*			trans	-137	81.1	156	-88.6	-37.1	0	0	0	107.2	N749 D753	N749-D751 PolarHBondContact O-N 2.95Å; D751-D753 PolarHBondContact O-N 2.73Å
752	V	33.7	Very low	35	Very low	99 Å²	99	110.3 Å²	110.3	60%	0.6	58%	0.58	S	S	*	*			trans	-75.1	99.4	-179.6	-177.7	0	0	0	0	108.5	I757	V752-I757 HydrophobicContact CG1-CD1 3.82Å; V752-I757 HydrophobicContact CG1-CG1 3.67Å
753	D	37.4	Very low	35.8	Very low	80 Å²	80	108.9 Å²	108.9	43%	0.428	57%	0.574	S	S	.	*			trans	-60.9	128.3	178	-157.4	6.2	0	0	0	110.1	D751 S755 S756	D751-D753 PolarHBondContact O-N 2.73Å; D753-S755 WeakPolarHBondContact CB-OG 3.35Å; D753-S755 PolarHBondContact O-N 3.29Å; D753-S755 PolarHBondContact OD2-OG 3.42Å; D753-S756 WeakPolarHBondContact O-CB 3.38Å; D753-S756 PolarHBondContact O-N 3.03Å; D753-S756 PolarHBondContact O-OG 3.42Å
754	P	38.9	Very low	36.3	Very low	85 Å²	85	108.3 Å²	108.3	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-58.2	-24.2	-177.5	4.7	-14.7	0	0	0	114.1	S756 I757 W758	P754-S756 VanDerWaalsContact C-N 3.33Å; P754-I757 PolarHBondContact O-N 2.91Å; P754-W758 PolarHBondContact O-N 3.49Å
755	S	39.3	Very low	36.9	Very low	23 Å²	23	104 Å²	104	16%	0.161	55%	0.551	C	S	.	*	H	α-helix	trans	-58.3	-41.2	168.8	51.5	0	0	0	0	112	D753 W758 I759	D753-S755 WeakPolarHBondContact CB-OG 3.35Å; D753-S755 PolarHBondContact O-N 3.29Å; D753-S755 PolarHBondContact OD2-OG 3.42Å; S755-W758 WeakPolarHBondContact O-CB 3.43Å; S755-W758 PolarHBondContact O-N 3.21Å; S755-I759 WeakPolarHBondContact O-CB 3.26Å; S755-I759 VanDerWaalsContact O-CD1 3.28Å; S755-I759 WeakPolarHBondContact O-CD1 3.22Å; S755-I759 WeakPolarHBondContact O-CG1 3.39Å; S755-I759 PolarHBondContact O-N 2.78Å
756	S	40.1	Very low	38	Very low	49 Å²	49	99.6 Å²	99.6	34%	0.343	53%	0.534	S	S	.	.	H	α-helix	trans	-70.3	-33.1	-178.8	71.2	0	0	0	0	113.5	D753 P754 H760	D753-S756 WeakPolarHBondContact O-CB 3.38Å; D753-S756 PolarHBondContact O-N 3.03Å; D753-S756 PolarHBondContact O-OG 3.42Å; P754-S756 VanDerWaalsContact C-N 3.33Å; S756-H760 PolarHBondContact O-N 3.4Å
757	I	39.7	Very low	38.9	Very low	105 Å²	105	97.4 Å²	97.4	54%	0.538	53%	0.529	S	S	.	.	H	α-helix	trans	-68.4	-42.5	173.8	-61.3	172.3	0	0	0	110	V752 P754 I759 H760 G761	V752-I757 HydrophobicContact CG1-CD1 3.82Å; V752-I757 HydrophobicContact CG1-CG1 3.67Å; P754-I757 PolarHBondContact O-N 2.91Å; I757-I759 VanDerWaalsContact C-N 3.33Å; I757-I759 PolarHBondContact O-N 3.47Å; I757-H760 PolarHBondContact O-N 3.4Å; I757-G761 PolarHBondContact O-N 2.89Å
758	W	42.1	Very low	40.2	Very low	40 Å²	40	91.5 Å²	91.5	15%	0.152	51%	0.507	C	S	.	.	H	α-helix	trans	-63.7	-39.9	177.4	-154.2	68.9	0	0	0	112.2	Q715 C716 P754 S755 G761 L762 E772	Q715-W758 HydrophobicContact CB-CZ3 4.01Å; C716-W758 HydrophobicContact CB-CH2 4.43Å; C716-W758 WeakPolarHBondContact SG-CH2 3.47Å; P754-W758 PolarHBondContact O-N 3.49Å; S755-W758 WeakPolarHBondContact O-CB 3.43Å; S755-W758 PolarHBondContact O-N 3.21Å; W758-G761 PolarHBondContact O-N 3.35Å; W758-L762 HydrophobicContact CD2-CD1 4.24Å; W758-L762 HydrophobicContact CE3-CD1 3.6Å; W758-L762 HydrophobicContact CZ3-CD1 3.82Å; W758-L762 PolarHBondContact O-N 3.19Å; W758-E772 PolarHBondContact NE1-OE2 2.97Å
759	I	44.1	Very low	41.6	Very low	58 Å²	58	86.5 Å²	86.5	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-67.7	-35.8	176.1	-68.2	164.9	0	0	0	112	S755 I757	S755-I759 WeakPolarHBondContact O-CB 3.26Å; S755-I759 VanDerWaalsContact O-CD1 3.28Å; S755-I759 WeakPolarHBondContact O-CD1 3.22Å; S755-I759 WeakPolarHBondContact O-CG1 3.39Å; S755-I759 PolarHBondContact O-N 2.78Å; I757-I759 VanDerWaalsContact C-N 3.33Å; I757-I759 PolarHBondContact O-N 3.47Å
760	H	37.8	Very low	42.9	Very low	117 Å²	117	81.9 Å²	81.9	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-72.9	-33.9	173.4	-122.8	-80	0	0	0	112	S756 I757 K763 Q764	S756-H760 PolarHBondContact O-N 3.4Å; I757-H760 PolarHBondContact O-N 3.4Å; H760-K763 PolarHBondContact O-N 2.92Å; H760-Q764 PolarHBondContact ND1-OE1 2.91Å; H760-Q764 PolarHBondContact O-N 3.16Å
761	G	42.1	Very low	44.5	Very low	23 Å²	23	81.7 Å²	81.7	24%	0.237	44%	0.443	C	S	.	.	H	α-helix	trans	-63.1	-40.6	171.8	0	0	0	0	0	113.2	I757 W758 K763 Q764 A765	I757-G761 PolarHBondContact O-N 2.89Å; W758-G761 PolarHBondContact O-N 3.35Å; G761-K763 PolarHBondContact O-N 2.99Å; G761-Q764 PolarHBondContact O-N 3.47Å; G761-A765 PolarHBondContact O-N 2.87Å
762	L	46.1	Very low	46	Very low	41 Å²	41	78 Å²	78	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-59.9	-25.7	173.4	-90	156.6	0	0	0	114.7	W758 V769	W758-L762 HydrophobicContact CD2-CD1 4.24Å; W758-L762 HydrophobicContact CE3-CD1 3.6Å; W758-L762 HydrophobicContact CZ3-CD1 3.82Å; W758-L762 PolarHBondContact O-N 3.19Å; L762-V769 HydrophobicContact CB-CG2 4.34Å; L762-V769 HydrophobicContact CD2-CB 4.29Å; L762-V769 HydrophobicContact CD2-CG1 3.46Å; L762-V769 VanDerWaalsContact CD2-CG1 3.46Å; L762-V769 HydrophobicContact CD2-CG2 3.93Å; L762-V769 HydrophobicContact CG-CG1 4.01Å; L762-V769 HydrophobicContact CG-CG2 3.77Å
763	K	44.9	Very low	47.6	Very low	161 Å²	161	73.8 Å²	73.8	70%	0.7	39%	0.394	S	S	*	.	H	α-helix	trans	-95.4	-17.1	177.5	-78	-176.9	174.1	-179.1	0	114.1	H760 G761	H760-K763 PolarHBondContact O-N 2.92Å; G761-K763 PolarHBondContact O-N 2.99Å
764	Q	44.1	Very low	49	Very low	152 Å²	152	72.6 Å²	72.6	71%	0.71	39%	0.388	S	S	*	.	H	α-helix	trans	-132.6	-0.1	-166.6	-77.8	-177.9	-21.4	0	0	117.1	H760 G761	H760-Q764 PolarHBondContact ND1-OE1 2.91Å; H760-Q764 PolarHBondContact O-N 3.16Å; G761-Q764 PolarHBondContact O-N 3.47Å
765	A	40	Very low	50.6	Low	45 Å²	45	70.6 Å²	70.6	37%	0.372	38%	0.379	S	S	.	.			trans	-160.1	94.6	166.8	0	0	0	0	0	113.1	G761 P767 S768	G761-A765 PolarHBondContact O-N 2.87Å; A765-P767 VanDerWaalsContact C-N 3.33Å; A765-P767 WeakPolarHBondContact O-CD 3.29Å; A765-P767 VanDerWaalsContact O-N 3.11Å; A765-S768 PolarHBondContact O-N 3.04Å; A765-S768 PolarHBondContact O-OG 3.12Å
766	N	51	Low	51.9	Low	93 Å²	93	69.8 Å²	69.8	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-44.8	-35.6	176.6	-85.5	-12.7	0	0	0	117.3	I770 M803	N766-I770 WeakPolarHBondContact O-CG1 3.46Å; N766-M803 WeakPolarHBondContact OD1-CE 3.45Å
767	P	50.8	Low	53.3	Low	103 Å²	103	67.7 Å²	67.7	67%	0.669	36%	0.358	S	S	*	.	H	α-helix	trans	-74	-29.1	-177.7	24.7	-32.6	0	0	0	114.4	A765 F771	A765-P767 VanDerWaalsContact C-N 3.33Å; A765-P767 WeakPolarHBondContact O-CD 3.29Å; A765-P767 VanDerWaalsContact O-N 3.11Å; P767-F771 PolarHBondContact O-N 2.91Å
768	S	55.6	Low	54.7	Low	48 Å²	48	68.3 Å²	68.3	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-69.5	-42.2	-176	63	0	0	0	0	112.5	A765 F771 E772	A765-S768 PolarHBondContact O-N 3.04Å; A765-S768 PolarHBondContact O-OG 3.12Å; S768-F771 WeakPolarHBondContact O-CB 3.4Å; S768-F771 PolarHBondContact O-N 2.71Å; S768-E772 WeakPolarHBondContact O-CG 3.42Å; S768-E772 PolarHBondContact O-N 2.97Å
769	V	55.1	Low	56	Low	16 Å²	16	69 Å²	69	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-68.4	-41.7	179.9	178.8	0	0	0	0	111.9	L762 F771 E772 L773	L762-V769 HydrophobicContact CB-CG2 4.34Å; L762-V769 HydrophobicContact CD2-CB 4.29Å; L762-V769 HydrophobicContact CD2-CG1 3.46Å; L762-V769 VanDerWaalsContact CD2-CG1 3.46Å; L762-V769 HydrophobicContact CD2-CG2 3.93Å; L762-V769 HydrophobicContact CG-CG1 4.01Å; L762-V769 HydrophobicContact CG-CG2 3.77Å; V769-F771 VanDerWaalsContact C-N 3.25Å; V769-F771 PolarHBondContact O-N 3.47Å; V769-E772 PolarHBondContact O-N 3.11Å; V769-L773 WeakPolarHBondContact O-CB 3.32Å; V769-L773 PolarHBondContact O-N 2.74Å
770	I	58.6	Low	57.2	Low	64 Å²	64	66.3 Å²	66.3	33%	0.328	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-38.3	177.6	-66	172.9	0	0	0	109.9	N766 N774	N766-I770 WeakPolarHBondContact O-CG1 3.46Å; I770-N774 VanDerWaalsContact O-CB 3.26Å; I770-N774 WeakPolarHBondContact O-CB 3.38Å; I770-N774 PolarHBondContact O-N 2.78Å; I770-N774 PolarHBondContact O-ND2 3.32Å; I770-N774 VanDerWaalsContact O-ND2 3.11Å
771	F	62	Low	58.5	Low	153 Å²	153	63.1 Å²	63.1	67%	0.671	34%	0.337	S	S	*	.	H	α-helix	trans	-64.2	-49.2	176.1	-176.8	-93.8	0	0	0	112	P767 S768 V769 N774 A775	P767-F771 PolarHBondContact O-N 2.91Å; S768-F771 WeakPolarHBondContact O-CB 3.4Å; S768-F771 PolarHBondContact O-N 2.71Å; V769-F771 VanDerWaalsContact C-N 3.25Å; V769-F771 PolarHBondContact O-N 3.47Å; F771-N774 PolarHBondContact O-N 3.3Å; F771-A775 WeakPolarHBondContact O-CB 3.4Å; F771-A775 PolarHBondContact O-N 3.06Å
772	E	63.6	Low	59.8	Low	84 Å²	84	68.1 Å²	68.1	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-38	179.1	-71.2	176.3	165.1	0	0	112.4	W758 S768 V769 A775 S776	W758-E772 PolarHBondContact NE1-OE2 2.97Å; S768-E772 WeakPolarHBondContact O-CG 3.42Å; S768-E772 PolarHBondContact O-N 2.97Å; V769-E772 PolarHBondContact O-N 3.11Å; E772-A775 PolarHBondContact O-N 3.22Å; E772-S776 WeakPolarHBondContact O-CB 3.43Å; E772-S776 PolarHBondContact O-N 2.86Å; E772-S776 PolarHBondContact O-OG 3.06Å
773	L	66.6	Low	60.8	Low	9 Å²	9	68.3 Å²	68.3	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-66.1	-39.5	174.5	-166.6	150.5	0	0	0	110.7	L713 C716 V769 L777 L796 T799	L713-L773 HydrophobicContact CD2-CG 4.49Å; C716-L773 HydrophobicContact CB-CD1 4.18Å; C716-L773 VanDerWaalsContact SG-CD1 3.54Å; V769-L773 WeakPolarHBondContact O-CB 3.32Å; V769-L773 PolarHBondContact O-N 2.74Å; L773-L777 HydrophobicContact CD2-CD1 3.43Å; L773-L777 VanDerWaalsContact CD2-CD1 3.43Å; L773-L777 HydrophobicContact CD2-CG 4.18Å; L773-L777 HydrophobicContact CG-CD1 4.49Å; L773-L777 VanDerWaalsContact O-CB 3.23Å; L773-L777 WeakPolarHBondContact O-CB 3.05Å; L773-L777 WeakPolarHBondContact O-CD1 3.2Å; L773-L777 WeakPolarHBondContact O-CG 3.44Å; L773-L777 PolarHBondContact O-N 2.95Å; L773-L796 HydrophobicContact CD2-CD1 3.33Å; L773-T799 HydrophobicContact CD1-CG2 4.32Å
774	N	67.4	Low	61.8	Low	55 Å²	55	61.3 Å²	61.3	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-38.1	171.9	-73.1	-27.4	0	0	0	111.8	I770 F771 L777 E778 R800	I770-N774 VanDerWaalsContact O-CB 3.26Å; I770-N774 WeakPolarHBondContact O-CB 3.38Å; I770-N774 PolarHBondContact O-N 2.78Å; I770-N774 PolarHBondContact O-ND2 3.32Å; I770-N774 VanDerWaalsContact O-ND2 3.11Å; F771-N774 PolarHBondContact O-N 3.3Å; N774-L777 PolarHBondContact O-N 2.77Å; N774-E778 WeakPolarHBondContact O-CB 3.23Å; N774-E778 PolarHBondContact O-N 2.84Å; N774-R800 PolarHBondContact OD1-NH2 2.93Å
775	A	70.8	Confident	62.9	Low	43 Å²	43	55.9 Å²	55.9	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-68.1	-46.2	177.6	0	0	0	0	0	112.2	F771 E772 L777 E778 E779	F771-A775 WeakPolarHBondContact O-CB 3.4Å; F771-A775 PolarHBondContact O-N 3.06Å; E772-A775 PolarHBondContact O-N 3.22Å; A775-L777 VanDerWaalsContact C-N 3.28Å; A775-L777 PolarHBondContact O-N 3.34Å; A775-E778 PolarHBondContact O-N 3.09Å; A775-E779 PolarHBondContact O-N 3.39Å
776	S	68.5	Low	64.3	Low	7 Å²	7	57.7 Å²	57.7	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-40.9	172.8	-75.3	0	0	0	0	111.6	E709 E772 E779 I780	E709-S776 VanDerWaalsContact OE2-CA 3.3Å; E709-S776 WeakPolarHBondContact OE2-CA 3.28Å; E709-S776 WeakPolarHBondContact OE2-CB 3.24Å; E709-S776 PolarHBondContact OE2-OG 3.39Å; E772-S776 WeakPolarHBondContact O-CB 3.43Å; E772-S776 PolarHBondContact O-N 2.86Å; E772-S776 PolarHBondContact O-OG 3.06Å; S776-E779 PolarHBondContact O-N 3.48Å; S776-I780 WeakPolarHBondContact O-CB 3.32Å; S776-I780 WeakPolarHBondContact O-CD1 3.36Å; S776-I780 WeakPolarHBondContact O-CG1 3.43Å; S776-I780 PolarHBondContact O-N 2.86Å
777	L	67.7	Low	65.2	Low	5 Å²	5	53.4 Å²	53.4	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-42.5	174.5	-74.7	173.2	0	0	0	112.2	L713 L773 N774 A775 E779 I780 L781 C792 L796	L713-L777 HydrophobicContact CD1-CD2 4.12Å; L713-L777 HydrophobicContact CD2-CD2 3.98Å; L713-L777 HydrophobicContact CD2-CG 4.23Å; L773-L777 HydrophobicContact CD2-CD1 3.43Å; L773-L777 VanDerWaalsContact CD2-CD1 3.43Å; L773-L777 HydrophobicContact CD2-CG 4.18Å; L773-L777 HydrophobicContact CG-CD1 4.49Å; L773-L777 VanDerWaalsContact O-CB 3.23Å; L773-L777 WeakPolarHBondContact O-CB 3.05Å; L773-L777 WeakPolarHBondContact O-CD1 3.2Å; L773-L777 WeakPolarHBondContact O-CG 3.44Å; L773-L777 PolarHBondContact O-N 2.95Å; N774-L777 PolarHBondContact O-N 2.77Å; A775-L777 VanDerWaalsContact C-N 3.28Å; A775-L777 PolarHBondContact O-N 3.34Å; L777-E779 VanDerWaalsContact C-N 3.29Å; L777-E779 PolarHBondContact O-N 2.89Å; L777-I780 PolarHBondContact O-N 2.98Å; L777-L781 HydrophobicContact CB-CD1 4.45Å; L777-L781 WeakPolarHBondContact O-CB 2.96Å; L777-L781 WeakPolarHBondContact O-CD1 3.46Å; L777-L781 WeakPolarHBondContact O-CG 3.25Å; L777-L781 PolarHBondContact O-N 2.84Å; L777-C792 HydrophobicContact CD2-CB 3.51Å; L777-L796 HydrophobicContact CD1-CB 3.68Å; L777-L796 HydrophobicContact CD1-CD1 3.52Å; L777-L796 HydrophobicContact CD1-CD2 3.47Å; L777-L796 VanDerWaalsContact CD1-CD2 3.47Å; L777-L796 HydrophobicContact CD1-CG 3.72Å
778	E	69.6	Low	66.1	Low	118 Å²	118	49 Å²	49	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-59.1	-44.5	176	-172.8	171	-167.1	0	0	110.5	N774 A775 I780 L781 H782	N774-E778 WeakPolarHBondContact O-CB 3.23Å; N774-E778 PolarHBondContact O-N 2.84Å; A775-E778 PolarHBondContact O-N 3.09Å; E778-I780 PolarHBondContact O-N 2.81Å; E778-L781 PolarHBondContact O-N 3.16Å; E778-H782 PolarHBondContact O-CD2 3.02Å; E778-H782 PolarHBondContact O-N 3.47Å
779	E	69.2	Low	66.9	Low	55 Å²	55	50.3 Å²	50.3	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-43.9	175.8	-169.7	167.3	-166.3	0	0	112.3	E709 A775 S776 L777 R783	E709-E779 HydrophobicContact CG-CB 4.34Å; E709-E779 HydrophobicContact CG-CG 4.09Å; E709-E779 WeakPolarHBondContact CG-OE2 3.37Å; A775-E779 PolarHBondContact O-N 3.39Å; S776-E779 PolarHBondContact O-N 3.48Å; L777-E779 VanDerWaalsContact C-N 3.29Å; L777-E779 PolarHBondContact O-N 2.89Å; E779-R783 VanDerWaalsContact CG-CZ 3.48Å; E779-R783 VanDerWaalsContact O-CB 3.22Å; E779-R783 WeakPolarHBondContact O-CB 3.4Å; E779-R783 WeakPolarHBondContact O-CG 3.24Å; E779-R783 PolarHBondContact O-N 2.81Å; E779-R783 IonicContact OE1-CZ 2.74Å; E779-R783 IonicContact OE1-NE 3.21Å; E779-R783 IonicContact OE1-NH1 2.64Å; E779-R783 PolarHBondContact OE1-NH1 3.42Å; E779-R783 IonicContact OE1-NH2 3.87Å; E779-R783 PolarHBondContact OE1-NH2 3.35Å
780	I	69.1	Low	67.9	Low	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-47.6	174.9	-70.7	169	0	0	0	110.8	L706 E709 L713 S776 L777 E778 H782 R783 T784 T788	L706-I780 HydrophobicContact CD1-CG1 4.15Å; E709-I780 HydrophobicContact CB-CD1 3.73Å; E709-I780 HydrophobicContact CB-CG1 3.63Å; L713-I780 HydrophobicContact CD1-CD1 3.28Å; L713-I780 HydrophobicContact CG-CD1 3.9Å; S776-I780 WeakPolarHBondContact O-CB 3.32Å; S776-I780 WeakPolarHBondContact O-CD1 3.36Å; S776-I780 WeakPolarHBondContact O-CG1 3.43Å; S776-I780 PolarHBondContact O-N 2.86Å; L777-I780 PolarHBondContact O-N 2.98Å; E778-I780 PolarHBondContact O-N 2.81Å; I780-H782 PolarHBondContact O-N 3.07Å; I780-H782 VanDerWaalsContact O-N 3.16Å; I780-R783 CarbonylContact O-C 3.58Å; I780-R783 PolarHBondContact O-N 3.31Å; I780-T784 HydrophobicContact CB-CG2 4.39Å; I780-T784 HydrophobicContact CG2-CG2 3.58Å; I780-T784 WeakPolarHBondContact O-CB 3.28Å; I780-T784 WeakPolarHBondContact O-CG2 3.33Å; I780-T784 PolarHBondContact O-N 3.27Å; I780-T784 PolarHBondContact O-OG1 3.48Å; I780-T788 HydrophobicContact CG2-CG2 4.09Å
781	L	66	Low	68.5	Low	51 Å²	51	49.7 Å²	49.7	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-28.3	-177.5	-72	169.1	0	0	0	112.6	L777 E778 K789 Q793	L777-L781 HydrophobicContact CB-CD1 4.45Å; L777-L781 WeakPolarHBondContact O-CB 2.96Å; L777-L781 WeakPolarHBondContact O-CD1 3.46Å; L777-L781 WeakPolarHBondContact O-CG 3.25Å; L777-L781 PolarHBondContact O-N 2.84Å; E778-L781 PolarHBondContact O-N 3.16Å; L781-K789 HydrophobicContact CD2-CB 3.75Å; L781-K789 HydrophobicContact CD2-CD 3.5Å; L781-K789 HydrophobicContact CD2-CG 3.29Å; L781-Q793 HydrophobicContact CD2-CG 4.27Å
782	H	69.6	Low	69	Low	127 Å²	127	42.5 Å²	42.5	59%	0.588	21%	0.208	S	C	*	.	H	α-helix	trans	-83.1	-21.4	173.7	-78.5	-63.2	0	0	0	114	E778 I780	E778-H782 PolarHBondContact O-CD2 3.02Å; E778-H782 PolarHBondContact O-N 3.47Å; I780-H782 PolarHBondContact O-N 3.07Å; I780-H782 VanDerWaalsContact O-N 3.16Å
783	R	66.3	Low	69.4	Low	45 Å²	45	39.6 Å²	39.6	17%	0.17	19%	0.194	C	C	.	.	H	α-helix	trans	-116.9	-12	-166.9	-71	-173.8	-170.2	169.9	17.4	115.1	G475 Y476 P477 S705 E779 I780	G475-R783 VanDerWaalsContact O-CB 3.28Å; G475-R783 WeakPolarHBondContact O-CB 3.38Å; Y476-R783 HydrophobicContact CD1-CG 4.4Å; Y476-R783 HydrophobicContact CE1-CG 4.3Å; P477-R783 WeakPolarHBondContact CD-O 3.5Å; P477-R783 WeakPolarHBondContact CG-O 3.48Å; S705-R783 PolarHBondContact OG-NH1 3.12Å; E779-R783 VanDerWaalsContact CG-CZ 3.48Å; E779-R783 VanDerWaalsContact O-CB 3.22Å; E779-R783 WeakPolarHBondContact O-CB 3.4Å; E779-R783 WeakPolarHBondContact O-CG 3.24Å; E779-R783 PolarHBondContact O-N 2.81Å; E779-R783 IonicContact OE1-CZ 2.74Å; E779-R783 IonicContact OE1-NE 3.21Å; E779-R783 IonicContact OE1-NH1 2.64Å; E779-R783 PolarHBondContact OE1-NH1 3.42Å; E779-R783 IonicContact OE1-NH2 3.87Å; E779-R783 PolarHBondContact OE1-NH2 3.35Å; I780-R783 CarbonylContact O-C 3.58Å; I780-R783 PolarHBondContact O-N 3.31Å
784	T	67.1	Low	69.8	Low	14 Å²	14	39.8 Å²	39.8	9%	0.086	20%	0.196	C	C	.	.	S	Bend	trans	-107.2	167.6	-177.6	65.5	0	0	0	0	113.9	L706 M710 I780 T788	L706-T784 HydrophobicContact CD1-CG2 3.21Å; L706-T784 HydrophobicContact CD2-CG2 3.84Å; L706-T784 HydrophobicContact CG-CG2 4.13Å; M710-T784 HydrophobicContact CE-CG2 4.49Å; I780-T784 HydrophobicContact CB-CG2 4.39Å; I780-T784 HydrophobicContact CG2-CG2 3.58Å; I780-T784 WeakPolarHBondContact O-CB 3.28Å; I780-T784 WeakPolarHBondContact O-CG2 3.33Å; I780-T784 PolarHBondContact O-N 3.27Å; I780-T784 PolarHBondContact O-OG1 3.48Å; T784-T788 HydrophobicContact CG2-CG2 3.93Å
785	D	66.6	Low	70	Confident	39 Å²	39	37.7 Å²	37.7	21%	0.209	18%	0.184	C	C	.	.			trans	-58.3	159.6	164.2	63	-17.2	0	0	0	112.4	S516 L787 T788 K789	S516-D785 WeakPolarHBondContact OG-CB 3.12Å; D785-L787 PolarHBondContact O-N 2.94Å; D785-T788 PolarHBondContact O-N 3.15Å; D785-T788 WeakPolarHBondContact OD1-CB 3.25Å; D785-T788 PolarHBondContact OD1-N 3.01Å; D785-T788 VanDerWaalsContact OD1-N 3.09Å; D785-T788 PolarHBondContact OD1-OG1 3.02Å; D785-K789 WeakPolarHBondContact O-CB 3.23Å; D785-K789 PolarHBondContact O-N 2.98Å
786	Q	68.6	Low	69.9	Low	82 Å²	82	36.6 Å²	36.6	38%	0.383	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-33.5	179.4	-69.4	-167.8	-1.2	0	0	111.4	M517 K789 F790 Y826	M517-Q786 HydrophobicContact CG-CG 4.46Å; M517-Q786 PolarHBondContact O-OE1 2.52Å; Q786-K789 WeakPolarHBondContact O-CB 3.36Å; Q786-K789 PolarHBondContact O-N 3.25Å; Q786-F790 HydrophobicContact CB-CD2 4.49Å; Q786-F790 HydrophobicContact CB-CE2 4.48Å; Q786-F790 WeakPolarHBondContact O-CD2 3.37Å; Q786-F790 PolarHBondContact O-N 3.45Å; Q786-Y826 HydrophobicContact CB-CE2 3.88Å
787	L	69.9	Low	69.9	Low	4 Å²	4	36.5 Å²	36.5	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-51.6	178.6	179	63.8	0	0	0	112.1	D785 K789 F790 R791 Y826 Y827 L830	D785-L787 PolarHBondContact O-N 2.94Å; L787-K789 VanDerWaalsContact C-N 3.27Å; L787-K789 PolarHBondContact O-N 3.49Å; L787-F790 PolarHBondContact O-N 3.19Å; L787-R791 WeakPolarHBondContact O-CG 3.41Å; L787-R791 PolarHBondContact O-N 3.16Å; L787-Y826 WeakPolarHBondContact CA-OH 3.43Å; L787-Y826 HydrophobicContact CB-CE1 4.46Å; L787-Y826 HydrophobicContact CD1-CE1 4.16Å; L787-Y826 PolarHBondContact N-OH 2.9Å; L787-Y826 VanDerWaalsContact N-OH 3.14Å; L787-Y827 HydrophobicContact CD1-CE1 3.77Å; L787-L830 HydrophobicContact CD1-CD1 3.82Å
788	T	70.3	Confident	69.9	Low	9 Å²	9	38.1 Å²	38.1	6%	0.055	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-36.7	176	-56.2	0	0	0	0	111	M710 I780 T784 D785 F790 R791 C792	M710-T788 HydrophobicContact CE-CG2 3.92Å; I780-T788 HydrophobicContact CG2-CG2 4.09Å; T784-T788 HydrophobicContact CG2-CG2 3.93Å; D785-T788 PolarHBondContact O-N 3.15Å; D785-T788 WeakPolarHBondContact OD1-CB 3.25Å; D785-T788 PolarHBondContact OD1-N 3.01Å; D785-T788 VanDerWaalsContact OD1-N 3.09Å; D785-T788 PolarHBondContact OD1-OG1 3.02Å; T788-F790 PolarHBondContact O-N 2.68Å; T788-R791 WeakPolarHBondContact O-CB 3.34Å; T788-R791 PolarHBondContact O-N 2.87Å; T788-C792 VanDerWaalsContact O-CB 3.24Å; T788-C792 WeakPolarHBondContact O-CB 3.45Å; T788-C792 PolarHBondContact O-N 3.16Å; T788-C792 PolarHBondContact O-SG 2.98Å
789	K	72.8	Confident	69.7	Low	76 Å²	76	33 Å²	33	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-56.1	-50.4	173.7	156.8	154.9	-172.1	176.1	0	112.1	L781 D785 Q786 L787 C792 Q793	L781-K789 HydrophobicContact CD2-CB 3.75Å; L781-K789 HydrophobicContact CD2-CD 3.5Å; L781-K789 HydrophobicContact CD2-CG 3.29Å; D785-K789 WeakPolarHBondContact O-CB 3.23Å; D785-K789 PolarHBondContact O-N 2.98Å; Q786-K789 WeakPolarHBondContact O-CB 3.36Å; Q786-K789 PolarHBondContact O-N 3.25Å; L787-K789 VanDerWaalsContact C-N 3.27Å; L787-K789 PolarHBondContact O-N 3.49Å; K789-C792 PolarHBondContact O-N 3.3Å; K789-Q793 VanDerWaalsContact O-CG 3.31Å; K789-Q793 WeakPolarHBondContact O-CG 3.49Å; K789-Q793 PolarHBondContact O-N 3.49Å
790	F	75	Confident	69.5	Low	27 Å²	27	33.4 Å²	33.4	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-32.3	177.6	-74.5	-66.7	0	0	0	112.9	Q786 L787 T788 Q793 V794 K822 A823 Y826 Y827	Q786-F790 HydrophobicContact CB-CD2 4.49Å; Q786-F790 HydrophobicContact CB-CE2 4.48Å; Q786-F790 WeakPolarHBondContact O-CD2 3.37Å; Q786-F790 PolarHBondContact O-N 3.45Å; L787-F790 PolarHBondContact O-N 3.19Å; T788-F790 PolarHBondContact O-N 2.68Å; F790-Q793 PolarHBondContact O-N 2.92Å; F790-V794 VanDerWaalsContact O-CG2 3.27Å; F790-V794 WeakPolarHBondContact O-CG2 3.34Å; F790-V794 PolarHBondContact O-N 3.05Å; F790-K822 HydrophobicContact CE1-CB 3.99Å; F790-A823 HydrophobicContact CD1-CB 3.82Å; F790-Y826 HydrophobicContact CB-CD1 3.92Å; F790-Y826 HydrophobicContact CB-CE1 4.27Å; F790-Y826 AromaticContact CD2-CD1 3.13Å; F790-Y826 HydrophobicContact CD2-CD1 3.13Å; F790-Y826 AromaticContact CD2-CD2 3.62Å; F790-Y826 HydrophobicContact CD2-CD2 3.62Å; F790-Y826 AromaticContact CD2-CE1 3.47Å; F790-Y826 HydrophobicContact CD2-CE1 3.47Å; F790-Y826 VanDerWaalsContact CD2-CE1 3.47Å; F790-Y826 AromaticContact CD2-CE2 3.94Å; F790-Y826 HydrophobicContact CD2-CE2 3.94Å; F790-Y826 AromaticContact CD2-CG 3.19Å; F790-Y826 HydrophobicContact CD2-CG 3.19Å; F790-Y826 AromaticContact CD2-CZ 3.87Å; F790-Y826 AromaticContact CE2-CD1 3.75Å; F790-Y826 HydrophobicContact CE2-CD1 3.75Å; F790-Y826 AromaticContact CE2-CD2 3.32Å; F790-Y826 HydrophobicContact CE2-CD2 3.32Å; F790-Y826 HydrophobicContact CE2-CE1 4.21Å; F790-Y826 AromaticContact CE2-CE2 3.86Å; F790-Y826 HydrophobicContact CE2-CE2 3.86Å; F790-Y826 AromaticContact CE2-CG 3.24Å; F790-Y826 HydrophobicContact CE2-CG 3.24Å; F790-Y826 AromaticContact CG-CD1 3.67Å; F790-Y826 HydrophobicContact CG-CD1 3.67Å; F790-Y826 HydrophobicContact CG-CE1 4.22Å; F790-Y826 AromaticContact CG-CG 3.95Å; F790-Y826 HydrophobicContact CG-CG 3.95Å; F790-Y826 HydrophobicContact CZ-CD2 4.25Å; F790-Y826 HydrophobicContact CZ-CG 4.03Å; F790-Y827 HydrophobicContact CB-CE2 4.04Å
791	R	72.8	Confident	69.4	Low	41 Å²	41	35.6 Å²	35.6	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-57.7	-50.6	170.1	-73.5	173.4	-164.9	-147.4	-29.4	110.6	L787 T788 Q793 V794 F795 Y827 R835 I884 L885	L787-R791 WeakPolarHBondContact O-CG 3.41Å; L787-R791 PolarHBondContact O-N 3.16Å; T788-R791 WeakPolarHBondContact O-CB 3.34Å; T788-R791 PolarHBondContact O-N 2.87Å; R791-Q793 PolarHBondContact O-N 2.83Å; R791-V794 PolarHBondContact O-N 3.3Å; R791-F795 WeakPolarHBondContact O-CB 3.28Å; R791-F795 PolarHBondContact O-N 3.42Å; R791-Y827 WeakPolarHBondContact CA-OH 3.35Å; R791-Y827 VanDerWaalsContact CG-OH 3.32Å; R791-Y827 WeakPolarHBondContact CG-OH 3.4Å; R791-Y827 PolarHBondContact N-OH 3.34Å; R791-R835 VanDerWaalsContact CZ-CZ 3.47Å; R791-R835 VanDerWaalsContact CZ-NH1 3.27Å; R791-R835 VanDerWaalsContact NE-CZ 3.35Å; R791-R835 VanDerWaalsContact NE-NH2 3.16Å; R791-R835 VanDerWaalsContact NH2-NH1 3.18Å; R791-I884 WeakPolarHBondContact CB-O 3.28Å; R791-L885 PolarHBondContact NH1-O 2.92Å; R791-L885 PolarHBondContact NH1-OXT 3.3Å
792	C	71.1	Confident	69.3	Low	1 Å²	1	37.3 Å²	37.3	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-39.9	179.6	-71.5	0	0	0	0	112.4	L713 L777 T788 K789 F795 L796	L713-C792 HydrophobicContact CD1-CB 4.49Å; L713-C792 VanDerWaalsContact CD1-SG 3.5Å; L777-C792 HydrophobicContact CD2-CB 3.51Å; T788-C792 VanDerWaalsContact O-CB 3.24Å; T788-C792 WeakPolarHBondContact O-CB 3.45Å; T788-C792 PolarHBondContact O-N 3.16Å; T788-C792 PolarHBondContact O-SG 2.98Å; K789-C792 PolarHBondContact O-N 3.3Å; C792-F795 PolarHBondContact O-N 3.31Å; C792-L796 VanDerWaalsContact O-CB 3.28Å; C792-L796 WeakPolarHBondContact O-CB 3.33Å; C792-L796 PolarHBondContact O-N 3.04Å
793	Q	71.9	Confident	68.9	Low	24 Å²	24	34.2 Å²	34.2	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-39.4	173.4	-74.7	-176.4	-27.6	0	0	113	L781 K789 F790 R791 S797 E819	L781-Q793 HydrophobicContact CD2-CG 4.27Å; K789-Q793 VanDerWaalsContact O-CG 3.31Å; K789-Q793 WeakPolarHBondContact O-CG 3.49Å; K789-Q793 PolarHBondContact O-N 3.49Å; F790-Q793 PolarHBondContact O-N 2.92Å; R791-Q793 PolarHBondContact O-N 2.83Å; Q793-S797 WeakPolarHBondContact O-CB 3.21Å; Q793-S797 PolarHBondContact O-N 3.28Å; Q793-S797 PolarHBondContact O-OG 3.29Å; Q793-E819 PolarHBondContact NE2-OE2 3.46Å
794	V	74.8	Confident	68.5	Low	13 Å²	13	35.3 Å²	35.3	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-40.4	174.6	171.2	0	0	0	0	110.7	F790 R791 S797 R798 L820 A823 Y827 I839 L842	F790-V794 VanDerWaalsContact O-CG2 3.27Å; F790-V794 WeakPolarHBondContact O-CG2 3.34Å; F790-V794 PolarHBondContact O-N 3.05Å; R791-V794 PolarHBondContact O-N 3.3Å; V794-S797 WeakPolarHBondContact O-CB 3.43Å; V794-S797 PolarHBondContact O-N 3.44Å; V794-R798 WeakPolarHBondContact O-CG 3.47Å; V794-R798 PolarHBondContact O-N 3.48Å; V794-L820 HydrophobicContact CG2-CD2 4.43Å; V794-A823 HydrophobicContact CG2-CB 3.77Å; V794-Y827 HydrophobicContact CG2-CE2 4.24Å; V794-I839 HydrophobicContact CG2-CD1 3.96Å; V794-I839 HydrophobicContact CG2-CG1 4.07Å; V794-L842 HydrophobicContact CG1-CD1 3.72Å
795	F	72.6	Confident	67.7	Low	10 Å²	10	40.7 Å²	40.7	4%	0.044	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-45.3	175.4	176.8	-104.6	0	0	0	112.6	L713 C716 A717 L720 R791 C792 S797 R798 T799 V882 I884	L713-F795 HydrophobicContact CD2-CD1 4.23Å; L713-F795 HydrophobicContact CD2-CE1 4.14Å; C716-F795 HydrophobicContact CB-CE1 4.23Å; C716-F795 HydrophobicContact CB-CZ 4.03Å; A717-F795 HydrophobicContact CB-CE2 3.48Å; A717-F795 VanDerWaalsContact CB-CE2 3.48Å; A717-F795 HydrophobicContact CB-CZ 3.72Å; L720-F795 HydrophobicContact CD1-CE2 4.35Å; L720-F795 HydrophobicContact CD1-CZ 4.03Å; R791-F795 WeakPolarHBondContact O-CB 3.28Å; R791-F795 PolarHBondContact O-N 3.42Å; C792-F795 PolarHBondContact O-N 3.31Å; F795-S797 VanDerWaalsContact C-N 3.3Å; F795-S797 PolarHBondContact O-N 2.82Å; F795-R798 WeakPolarHBondContact O-CB 3.3Å; F795-R798 PolarHBondContact O-N 3.02Å; F795-T799 WeakPolarHBondContact O-CB 3.47Å; F795-T799 PolarHBondContact O-N 2.79Å; F795-T799 PolarHBondContact O-OG1 3.17Å; F795-V882 HydrophobicContact CD2-CG1 3.94Å; F795-V882 HydrophobicContact CE2-CG1 3.95Å; F795-I884 HydrophobicContact CD2-CD1 4.18Å; F795-I884 HydrophobicContact CD2-CG1 4.04Å; F795-I884 HydrophobicContact CE2-CD1 4.01Å; F795-I884 HydrophobicContact CE2-CG1 4.34Å; F795-I884 HydrophobicContact CG-CG1 4.47Å; F795-I884 HydrophobicContact CZ-CD1 4.32Å
796	L	68.6	Low	66.8	Low	21 Å²	21	44.1 Å²	44.1	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-46.2	173.4	177.4	59	0	0	0	111.1	L773 L777 C792 R798 T799 R800	L773-L796 HydrophobicContact CD2-CD1 3.33Å; L777-L796 HydrophobicContact CD1-CB 3.68Å; L777-L796 HydrophobicContact CD1-CD1 3.52Å; L777-L796 HydrophobicContact CD1-CD2 3.47Å; L777-L796 VanDerWaalsContact CD1-CD2 3.47Å; L777-L796 HydrophobicContact CD1-CG 3.72Å; C792-L796 VanDerWaalsContact O-CB 3.28Å; C792-L796 WeakPolarHBondContact O-CB 3.33Å; C792-L796 PolarHBondContact O-N 3.04Å; L796-R798 VanDerWaalsContact C-N 3.35Å; L796-R798 PolarHBondContact O-N 3.19Å; L796-T799 PolarHBondContact O-N 2.82Å; L796-R800 HydrophobicContact CD1-CG 3.97Å; L796-R800 VanDerWaalsContact CD2-NH2 3.3Å; L796-R800 HydrophobicContact CG-CG 4.4Å; L796-R800 VanDerWaalsContact O-CG 3.27Å; L796-R800 WeakPolarHBondContact O-CG 3.37Å; L796-R800 PolarHBondContact O-N 3.31Å
797	S	67.8	Low	65.9	Low	4 Å²	4	49.5 Å²	49.5	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-48	175.5	-77.3	0	0	0	0	111.5	Q793 V794 F795 L801 H816	Q793-S797 WeakPolarHBondContact O-CB 3.21Å; Q793-S797 PolarHBondContact O-N 3.28Å; Q793-S797 PolarHBondContact O-OG 3.29Å; V794-S797 WeakPolarHBondContact O-CB 3.43Å; V794-S797 PolarHBondContact O-N 3.44Å; F795-S797 VanDerWaalsContact C-N 3.3Å; F795-S797 PolarHBondContact O-N 2.82Å; S797-L801 PolarHBondContact O-N 2.81Å; S797-L801 VanDerWaalsContact O-N 3.11Å; S797-H816 VanDerWaalsContact C-CE1 3.47Å; S797-H816 VanDerWaalsContact CA-CE1 3.44Å; S797-H816 WeakPolarHBondContact CA-CE1 3.39Å; S797-H816 WeakPolarHBondContact CA-ND1 3.33Å; S797-H816 WeakPolarHBondContact CB-CE1 3.36Å; S797-H816 WeakPolarHBondContact CB-ND1 3.29Å; S797-H816 PolarHBondContact O-CE1 3.38Å; S797-H816 PolarHBondContact OG-ND1 2.75Å
798	R	69.1	Low	65.1	Low	39 Å²	39	56 Å²	56	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-46.8	174.4	-77.3	176	175.7	175.6	2.8	112.5	V794 F795 L796 R800 L801 L802 D838 L842	V794-R798 WeakPolarHBondContact O-CG 3.47Å; V794-R798 PolarHBondContact O-N 3.48Å; F795-R798 WeakPolarHBondContact O-CB 3.3Å; F795-R798 PolarHBondContact O-N 3.02Å; L796-R798 VanDerWaalsContact C-N 3.35Å; L796-R798 PolarHBondContact O-N 3.19Å; R798-R800 PolarHBondContact O-N 3.43Å; R798-L801 PolarHBondContact O-N 3.04Å; R798-L802 WeakPolarHBondContact O-CG 3.25Å; R798-L802 PolarHBondContact O-N 2.96Å; R798-D838 IonicContact NH2-OD2 3.89Å; R798-L842 HydrophobicContact CG-CD1 3.77Å; R798-L842 HydrophobicContact CG-CD2 3.52Å; R798-L842 HydrophobicContact CG-CG 4.29Å
799	T	65.5	Low	64.6	Low	12 Å²	12	58 Å²	58	7%	0.074	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-46.7	-178.5	-57.9	0	0	0	0	110.9	L720 L773 F795 L796 L801 L802 M803	L720-T799 HydrophobicContact CD1-CG2 3.54Å; L720-T799 VanDerWaalsContact CD1-OG1 3.23Å; L720-T799 WeakPolarHBondContact CD1-OG1 3.49Å; L720-T799 HydrophobicContact CD2-CG2 4.12Å; L720-T799 HydrophobicContact CG-CG2 4.43Å; L773-T799 HydrophobicContact CD1-CG2 4.32Å; F795-T799 WeakPolarHBondContact O-CB 3.47Å; F795-T799 PolarHBondContact O-N 2.79Å; F795-T799 PolarHBondContact O-OG1 3.17Å; L796-T799 PolarHBondContact O-N 2.82Å; T799-L801 PolarHBondContact O-N 3.4Å; T799-L802 PolarHBondContact O-N 3.28Å; T799-L802 VanDerWaalsContact O-N 3.14Å; T799-M803 HydrophobicContact CG2-CG 4.29Å; T799-M803 VanDerWaalsContact O-CG 3.26Å; T799-M803 WeakPolarHBondContact O-CG 3.3Å; T799-M803 PolarHBondContact O-N 3.38Å; T799-M803 VanDerWaalsContact O-N 3.14Å
800	R	64.9	Low	64.2	Low	63 Å²	63	60.5 Å²	60.5	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-68.5	-36.3	-178.6	-63.3	168.6	169.9	177.2	3.4	112.7	N774 L796 R798 L802 M803 D804 F812	N774-R800 PolarHBondContact OD1-NH2 2.93Å; L796-R800 HydrophobicContact CD1-CG 3.97Å; L796-R800 VanDerWaalsContact CD2-NH2 3.3Å; L796-R800 HydrophobicContact CG-CG 4.4Å; L796-R800 VanDerWaalsContact O-CG 3.27Å; L796-R800 WeakPolarHBondContact O-CG 3.37Å; L796-R800 PolarHBondContact O-N 3.31Å; R798-R800 PolarHBondContact O-N 3.43Å; R800-L802 PolarHBondContact O-N 3.18Å; R800-M803 PolarHBondContact O-N 2.85Å; R800-D804 PolarHBondContact O-N 2.91Å; R800-F812 HydrophobicContact CB-CE1 4.19Å; R800-F812 HydrophobicContact CB-CE2 4.12Å; R800-F812 HydrophobicContact CB-CZ 3.36Å; R800-F812 HydrophobicContact CG-CE2 4.4Å; R800-F812 HydrophobicContact CG-CZ 4.09Å
801	L	65.8	Low	63.9	Low	46 Å²	46	63.1 Å²	63.1	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-30.2	171.5	-85.8	165.5	0	0	0	113.1	S797 R798 T799 H816 A846	S797-L801 PolarHBondContact O-N 2.81Å; S797-L801 VanDerWaalsContact O-N 3.11Å; R798-L801 PolarHBondContact O-N 3.04Å; T799-L801 PolarHBondContact O-N 3.4Å; L801-H816 VanDerWaalsContact CD1-CE1 3.41Å; L801-H816 WeakPolarHBondContact CD1-CE1 3.48Å; L801-H816 WeakPolarHBondContact CD1-NE2 3.4Å; L801-A846 HydrophobicContact CD2-CB 3.93Å
802	L	64.5	Low	63.5	Low	87 Å²	87	62.9 Å²	62.9	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-83.7	-25.9	178.4	-69.7	168.9	0	0	0	113	R798 T799 R800	R798-L802 WeakPolarHBondContact O-CG 3.25Å; R798-L802 PolarHBondContact O-N 2.96Å; T799-L802 PolarHBondContact O-N 3.28Å; T799-L802 VanDerWaalsContact O-N 3.14Å; R800-L802 PolarHBondContact O-N 3.18Å
803	M	60.8	Low	63.4	Low	61 Å²	61	63.1 Å²	63.1	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-93	-28.8	-171.5	-70.4	-62.8	-54.6	0	0	114.2	L720 N766 T799 R800	L720-M803 HydrophobicContact CD2-SD 4.31Å; N766-M803 WeakPolarHBondContact OD1-CE 3.45Å; T799-M803 HydrophobicContact CG2-CG 4.29Å; T799-M803 VanDerWaalsContact O-CG 3.26Å; T799-M803 WeakPolarHBondContact O-CG 3.3Å; T799-M803 PolarHBondContact O-N 3.38Å; T799-M803 VanDerWaalsContact O-N 3.14Å; R800-M803 PolarHBondContact O-N 2.85Å
804	D	57	Low	63.4	Low	69 Å²	69	68.7 Å²	68.7	37%	0.369	35%	0.353	S	S	.	.			trans	-97.6	104.8	-175.4	-95.1	-36.7	0	0	0	112.5	R800	R800-D804 PolarHBondContact O-N 2.91Å
805	T	51.4	Low	63.3	Low	126 Å²	126	73.8 Å²	73.8	77%	0.773	38%	0.377	S	S	*	.			trans	-98.9	9.9	168.7	53.6	0	0	0	0	113
806	N	47.7	Very low	63.3	Low	111 Å²	111	73.6 Å²	73.6	59%	0.594	38%	0.376	S	S	*	.	S	Bend	trans	-108.1	151.1	-166.3	-79.4	-16.9	0	0	0	115.1	N808	N806-N808 PolarHBondContact O-N 2.95Å
807	E	49.4	Very low	63.8	Low	196 Å²	196	74.3 Å²	74.3	92%	0.916	38%	0.379	S	S	*	.	S	Bend	trans	-59.4	-3.2	-163.6	-63.2	177.5	152.1	0	0	117.6	N809	E807-N809 PolarHBondContact O-N 3.42Å
808	N	54.3	Low	64.4	Low	141 Å²	141	77.4 Å²	77.4	75%	0.754	40%	0.398	S	S	*	.			trans	-86.6	23.2	173.9	-79.2	-23	0	0	0	113.8	N806 H810	N806-N808 PolarHBondContact O-N 2.95Å; N808-H810 VanDerWaalsContact C-N 3.3Å; N808-H810 PolarHBondContact O-N 3.04Å; N808-H810 VanDerWaalsContact O-N 3.13Å
809	N	58.7	Low	64.8	Low	49 Å²	49	77.9 Å²	77.9	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-55.6	-32.6	-169.6	-101.2	-20.4	0	0	0	115.3	E807 I813	E807-N809 PolarHBondContact O-N 3.42Å; N809-I813 HydrophobicContact CB-CD1 3.9Å; N809-I813 WeakPolarHBondContact O-CB 3.05Å; N809-I813 VanDerWaalsContact O-CD1 3.31Å; N809-I813 WeakPolarHBondContact O-CD1 3.26Å; N809-I813 WeakPolarHBondContact O-CG1 3.47Å; N809-I813 PolarHBondContact O-N 2.63Å
810	H	65	Low	65.6	Low	130 Å²	130	77.3 Å²	77.3	60%	0.602	40%	0.398	S	S	*	.	H	α-helix	trans	-70.4	-51.3	-169.5	-97	-69.8	0	0	0	114.7	N808 F812 I813 Q814 V850	N808-H810 VanDerWaalsContact C-N 3.3Å; N808-H810 PolarHBondContact O-N 3.04Å; N808-H810 VanDerWaalsContact O-N 3.13Å; H810-F812 VanDerWaalsContact C-N 3.32Å; H810-I813 PolarHBondContact O-N 3.48Å; H810-Q814 WeakPolarHBondContact O-CB 3.2Å; H810-Q814 PolarHBondContact O-N 3.02Å; H810-V850 WeakPolarHBondContact CE1-CG1 3.23Å; H810-V850 WeakPolarHBondContact ND1-CG1 3.46Å
811	S	67.9	Low	66.6	Low	81 Å²	81	78.2 Å²	78.2	57%	0.566	41%	0.408	S	S	*	.	H	α-helix	trans	-67.7	-38.2	-179.2	58.9	0	0	0	0	111.2	Q814 M815	S811-Q814 PolarHBondContact O-N 2.93Å; S811-M815 PolarHBondContact O-N 3.05Å; S811-M815 VanDerWaalsContact O-N 3.1Å
812	F	65.6	Low	67.4	Low	36 Å²	36	81 Å²	81	16%	0.158	42%	0.418	C	S	.	.	H	α-helix	trans	-61.3	-50.5	175.7	176.4	-99	0	0	0	111.7	R800 H810 Q814 M815 H816	R800-F812 HydrophobicContact CB-CE1 4.19Å; R800-F812 HydrophobicContact CB-CE2 4.12Å; R800-F812 HydrophobicContact CB-CZ 3.36Å; R800-F812 HydrophobicContact CG-CE2 4.4Å; R800-F812 HydrophobicContact CG-CZ 4.09Å; H810-F812 VanDerWaalsContact C-N 3.32Å; F812-Q814 VanDerWaalsContact C-N 3.31Å; F812-Q814 PolarHBondContact O-N 2.84Å; F812-M815 PolarHBondContact O-N 3.3Å; F812-H816 WeakPolarHBondContact O-CB 3.23Å; F812-H816 PolarHBondContact O-N 2.68Å
813	I	68.2	Low	68.3	Low	7 Å²	7	76.8 Å²	76.8	4%	0.036	40%	0.396	C	S	.	.	H	α-helix	trans	-70.3	-29.8	-179.3	-64.3	165.2	0	0	0	111.2	N809 H810 H816 M817 A846 S849 V850	N809-I813 HydrophobicContact CB-CD1 3.9Å; N809-I813 WeakPolarHBondContact O-CB 3.05Å; N809-I813 VanDerWaalsContact O-CD1 3.31Å; N809-I813 WeakPolarHBondContact O-CD1 3.26Å; N809-I813 WeakPolarHBondContact O-CG1 3.47Å; N809-I813 PolarHBondContact O-N 2.63Å; H810-I813 PolarHBondContact O-N 3.48Å; I813-H816 PolarHBondContact O-N 3.26Å; I813-M817 HydrophobicContact CG2-CG 4.03Å; I813-M817 WeakPolarHBondContact O-CB 3.44Å; I813-M817 WeakPolarHBondContact O-CG 3.37Å; I813-M817 PolarHBondContact O-N 3.13Å; I813-A846 HydrophobicContact CG2-CB 4.25Å; I813-S849 WeakPolarHBondContact CD1-OG 3.46Å; I813-V850 HydrophobicContact CB-CG2 3.77Å; I813-V850 HydrophobicContact CD1-CG2 3.27Å; I813-V850 HydrophobicContact CG1-CG2 4.06Å; I813-V850 HydrophobicContact CG2-CG2 3.43Å; I813-V850 VanDerWaalsContact CG2-CG2 3.43Å
814	Q	72.4	Confident	69.5	Low	141 Å²	141	75.1 Å²	75.1	66%	0.659	39%	0.388	S	S	*	.	H	α-helix	trans	-64.8	-43.3	173.1	-172	175.7	-0.8	0	0	112.4	H810 S811 F812 T818	H810-Q814 WeakPolarHBondContact O-CB 3.2Å; H810-Q814 PolarHBondContact O-N 3.02Å; S811-Q814 PolarHBondContact O-N 2.93Å; F812-Q814 VanDerWaalsContact C-N 3.31Å; F812-Q814 PolarHBondContact O-N 2.84Å; Q814-T818 PolarHBondContact O-N 3.2Å; Q814-T818 VanDerWaalsContact O-N 3.11Å; Q814-T818 PolarHBondContact O-OG1 3.15Å
815	M	72.7	Confident	70.8	Confident	120 Å²	120	75 Å²	75	59%	0.591	39%	0.387	S	S	*	.	H	α-helix	trans	-62.9	-44.5	172.4	-72.6	-159.6	-56.1	0	0	111.4	S811 F812 M817 T818 E819	S811-M815 PolarHBondContact O-N 3.05Å; S811-M815 VanDerWaalsContact O-N 3.1Å; F812-M815 PolarHBondContact O-N 3.3Å; M815-M817 PolarHBondContact O-N 3.45Å; M815-T818 WeakPolarHBondContact O-CB 3.49Å; M815-T818 PolarHBondContact O-N 3.5Å; M815-T818 VanDerWaalsContact O-N 3.15Å; M815-E819 PolarHBondContact O-N 2.75Å
816	H	73.2	Confident	72.3	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.028	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-45.8	178.1	173	82.3	0	0	0	112.8	S797 L801 F812 I813 T818 E819 L820	S797-H816 VanDerWaalsContact C-CE1 3.47Å; S797-H816 VanDerWaalsContact CA-CE1 3.44Å; S797-H816 WeakPolarHBondContact CA-CE1 3.39Å; S797-H816 WeakPolarHBondContact CA-ND1 3.33Å; S797-H816 WeakPolarHBondContact CB-CE1 3.36Å; S797-H816 WeakPolarHBondContact CB-ND1 3.29Å; S797-H816 PolarHBondContact O-CE1 3.38Å; S797-H816 PolarHBondContact OG-ND1 2.75Å; L801-H816 VanDerWaalsContact CD1-CE1 3.41Å; L801-H816 WeakPolarHBondContact CD1-CE1 3.48Å; L801-H816 WeakPolarHBondContact CD1-NE2 3.4Å; F812-H816 WeakPolarHBondContact O-CB 3.23Å; F812-H816 PolarHBondContact O-N 2.68Å; I813-H816 PolarHBondContact O-N 3.26Å; H816-T818 VanDerWaalsContact C-N 3.26Å; H816-T818 PolarHBondContact O-N 2.83Å; H816-E819 PolarHBondContact O-N 3.25Å; H816-L820 WeakPolarHBondContact NE2-CD1 3.29Å; H816-L820 PolarHBondContact O-N 2.97Å
817	M	77.4	Confident	73.9	Confident	36 Å²	36	64.2 Å²	64.2	18%	0.177	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-35	175.6	-73.8	-67.8	-74.8	0	0	111.8	I813 M815 L821 M843 A846 L847	I813-M817 HydrophobicContact CG2-CG 4.03Å; I813-M817 WeakPolarHBondContact O-CB 3.44Å; I813-M817 WeakPolarHBondContact O-CG 3.37Å; I813-M817 PolarHBondContact O-N 3.13Å; M815-M817 PolarHBondContact O-N 3.45Å; M817-L821 VanDerWaalsContact O-CB 3.24Å; M817-L821 WeakPolarHBondContact O-CB 3.31Å; M817-L821 PolarHBondContact O-N 3.42Å; M817-M843 HydrophobicContact CE-CB 4.36Å; M817-M843 HydrophobicContact CE-CE 3.68Å; M817-M843 HydrophobicContact SD-CB 4.27Å; M817-M843 HydrophobicContact SD-CE 4.42Å; M817-M843 HydrophobicContact SD-CG 4.26Å; M817-A846 HydrophobicContact SD-CB 4.01Å; M817-L847 HydrophobicContact CE-CD1 3.8Å; M817-L847 HydrophobicContact CE-CD2 3.7Å; M817-L847 HydrophobicContact CE-CG 3.6Å; M817-L847 HydrophobicContact SD-CG 4.27Å
818	T	81.2	Confident	75.5	Confident	68 Å²	68	63.1 Å²	63.1	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-65.8	-43.8	175.6	-55.3	0	0	0	0	111.4	Q814 M815 H816 L821 K822	Q814-T818 PolarHBondContact O-N 3.2Å; Q814-T818 VanDerWaalsContact O-N 3.11Å; Q814-T818 PolarHBondContact O-OG1 3.15Å; M815-T818 WeakPolarHBondContact O-CB 3.49Å; M815-T818 PolarHBondContact O-N 3.5Å; M815-T818 VanDerWaalsContact O-N 3.15Å; H816-T818 VanDerWaalsContact C-N 3.26Å; H816-T818 PolarHBondContact O-N 2.83Å; T818-L821 PolarHBondContact O-N 3.18Å; T818-K822 WeakPolarHBondContact O-CG 3.41Å; T818-K822 PolarHBondContact O-N 2.72Å; T818-K822 VanDerWaalsContact O-N 3.08Å
819	E	77.9	Confident	76.8	Confident	49 Å²	49	63.6 Å²	63.6	23%	0.229	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-41.9	176.8	-67.4	-57.1	125.2	0	0	112.3	Q793 M815 H816 L821 K822 A823	Q793-E819 PolarHBondContact NE2-OE2 3.46Å; M815-E819 PolarHBondContact O-N 2.75Å; H816-E819 PolarHBondContact O-N 3.25Å; E819-L821 VanDerWaalsContact C-N 3.3Å; E819-L821 PolarHBondContact O-N 3.33Å; E819-K822 WeakPolarHBondContact O-CB 3.34Å; E819-K822 PolarHBondContact O-N 2.79Å; E819-K822 IonicContact OE1-NZ 2.66Å; E819-K822 PolarHBondContact OE1-NZ 3.06Å; E819-A823 PolarHBondContact O-N 3.48Å
820	L	82.5	Confident	77.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-36.9	173.4	-74.6	-174.4	0	0	0	112.1	V794 H816 A823 L824 I839 L842 M843	V794-L820 HydrophobicContact CG2-CD2 4.43Å; H816-L820 WeakPolarHBondContact NE2-CD1 3.29Å; H816-L820 PolarHBondContact O-N 2.97Å; L820-A823 PolarHBondContact O-N 2.81Å; L820-L824 VanDerWaalsContact O-CB 3.3Å; L820-L824 WeakPolarHBondContact O-CB 3.33Å; L820-L824 PolarHBondContact O-N 3.07Å; L820-I839 HydrophobicContact CB-CG2 4.35Å; L820-I839 HydrophobicContact CD2-CG2 4.38Å; L820-L842 HydrophobicContact CD1-CB 4.05Å; L820-L842 HydrophobicContact CD2-CD1 4.38Å; L820-M843 HydrophobicContact CB-CG 3.96Å; L820-M843 HydrophobicContact CB-SD 4.48Å; L820-M843 HydrophobicContact CD1-CG 3.75Å
821	L	84.9	Confident	78.3	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-38.7	176.3	-173.7	65.8	0	0	0	111.8	M817 T818 E819 L824 N825	M817-L821 VanDerWaalsContact O-CB 3.24Å; M817-L821 WeakPolarHBondContact O-CB 3.31Å; M817-L821 PolarHBondContact O-N 3.42Å; T818-L821 PolarHBondContact O-N 3.18Å; E819-L821 VanDerWaalsContact C-N 3.3Å; E819-L821 PolarHBondContact O-N 3.33Å; L821-L824 HydrophobicContact CD1-CD2 4.33Å; L821-L824 PolarHBondContact O-N 2.94Å; L821-N825 WeakPolarHBondContact O-CB 3.49Å; L821-N825 PolarHBondContact O-N 2.87Å; L821-N825 PolarHBondContact O-ND2 3.09Å
822	K	83.6	Confident	78.7	Confident	103 Å²	103	54.8 Å²	54.8	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-46.9	172.1	-69.1	171.7	-174.5	168.6	0	110.9	F790 T818 E819 N825 Y826	F790-K822 HydrophobicContact CE1-CB 3.99Å; T818-K822 WeakPolarHBondContact O-CG 3.41Å; T818-K822 PolarHBondContact O-N 2.72Å; T818-K822 VanDerWaalsContact O-N 3.08Å; E819-K822 WeakPolarHBondContact O-CB 3.34Å; E819-K822 PolarHBondContact O-N 2.79Å; E819-K822 IonicContact OE1-NZ 2.66Å; E819-K822 PolarHBondContact OE1-NZ 3.06Å; K822-N825 PolarHBondContact O-N 3.35Å; K822-Y826 PolarHBondContact O-N 3.3Å
823	A	83.1	Confident	79.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176.3	0	0	0	0	0	112	F790 V794 E819 L820 N825 Y826 Y827 I839	F790-A823 HydrophobicContact CD1-CB 3.82Å; V794-A823 HydrophobicContact CG2-CB 3.77Å; E819-A823 PolarHBondContact O-N 3.48Å; L820-A823 PolarHBondContact O-N 2.81Å; A823-N825 PolarHBondContact O-N 2.87Å; A823-Y826 PolarHBondContact O-N 3.49Å; A823-Y827 HydrophobicContact CB-CD2 4.41Å; A823-Y827 HydrophobicContact CB-CE2 4.33Å; A823-Y827 WeakPolarHBondContact O-CD2 3.26Å; A823-Y827 PolarHBondContact O-N 3.32Å; A823-I839 HydrophobicContact CB-CD1 4Å
824	L	85.4	Confident	79.8	Confident	26 Å²	26	57.5 Å²	57.5	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-47.7	177.2	-176	70.3	0	0	0	111.3	L820 L821 Y826 Y827 R828 V836 I839 L840 M843	L820-L824 VanDerWaalsContact O-CB 3.3Å; L820-L824 WeakPolarHBondContact O-CB 3.33Å; L820-L824 PolarHBondContact O-N 3.07Å; L821-L824 HydrophobicContact CD1-CD2 4.33Å; L821-L824 PolarHBondContact O-N 2.94Å; L824-Y826 VanDerWaalsContact C-N 3.31Å; L824-Y826 PolarHBondContact O-N 3.15Å; L824-Y827 PolarHBondContact O-N 3.02Å; L824-R828 VanDerWaalsContact O-CB 3.27Å; L824-R828 WeakPolarHBondContact O-CB 3.12Å; L824-R828 PolarHBondContact O-N 3.34Å; L824-V836 HydrophobicContact CD1-CG1 4.04Å; L824-I839 HydrophobicContact CB-CG2 3.95Å; L824-I839 HydrophobicContact CD1-CB 4.21Å; L824-I839 HydrophobicContact CD1-CG2 4Å; L824-L840 HydrophobicContact CD1-CD2 4.27Å; L824-L840 HydrophobicContact CD1-CG 4.21Å; L824-L840 HydrophobicContact CD2-CD2 4.25Å; L824-M843 HydrophobicContact CD2-SD 4.03Å
825	N	84.5	Confident	80.2	Confident	65 Å²	65	51.8 Å²	51.8	35%	0.348	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-39.9	178.5	-76.5	-34.1	0	0	0	111.8	L821 K822 A823 Q829	L821-N825 WeakPolarHBondContact O-CB 3.49Å; L821-N825 PolarHBondContact O-N 2.87Å; L821-N825 PolarHBondContact O-ND2 3.09Å; K822-N825 PolarHBondContact O-N 3.35Å; A823-N825 PolarHBondContact O-N 2.87Å; N825-Q829 WeakPolarHBondContact O-CG 3.2Å; N825-Q829 PolarHBondContact O-N 2.83Å
826	Y	82.5	Confident	80.8	Confident	8 Å²	8	46.6 Å²	46.6	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-51	176.6	178.7	-101.9	0	0	0	112.4	S516 Q786 L787 F790 K822 A823 L824 R828 Q829 L830	S516-Y826 PolarHBondContact O-OH 3.16Å; Q786-Y826 HydrophobicContact CB-CE2 3.88Å; L787-Y826 WeakPolarHBondContact CA-OH 3.43Å; L787-Y826 HydrophobicContact CB-CE1 4.46Å; L787-Y826 HydrophobicContact CD1-CE1 4.16Å; L787-Y826 PolarHBondContact N-OH 2.9Å; L787-Y826 VanDerWaalsContact N-OH 3.14Å; F790-Y826 HydrophobicContact CB-CD1 3.92Å; F790-Y826 HydrophobicContact CB-CE1 4.27Å; F790-Y826 AromaticContact CD2-CD1 3.13Å; F790-Y826 HydrophobicContact CD2-CD1 3.13Å; F790-Y826 AromaticContact CD2-CD2 3.62Å; F790-Y826 HydrophobicContact CD2-CD2 3.62Å; F790-Y826 AromaticContact CD2-CE1 3.47Å; F790-Y826 HydrophobicContact CD2-CE1 3.47Å; F790-Y826 VanDerWaalsContact CD2-CE1 3.47Å; F790-Y826 AromaticContact CD2-CE2 3.94Å; F790-Y826 HydrophobicContact CD2-CE2 3.94Å; F790-Y826 AromaticContact CD2-CG 3.19Å; F790-Y826 HydrophobicContact CD2-CG 3.19Å; F790-Y826 AromaticContact CD2-CZ 3.87Å; F790-Y826 AromaticContact CE2-CD1 3.75Å; F790-Y826 HydrophobicContact CE2-CD1 3.75Å; F790-Y826 AromaticContact CE2-CD2 3.32Å; F790-Y826 HydrophobicContact CE2-CD2 3.32Å; F790-Y826 HydrophobicContact CE2-CE1 4.21Å; F790-Y826 AromaticContact CE2-CE2 3.86Å; F790-Y826 HydrophobicContact CE2-CE2 3.86Å; F790-Y826 AromaticContact CE2-CG 3.24Å; F790-Y826 HydrophobicContact CE2-CG 3.24Å; F790-Y826 AromaticContact CG-CD1 3.67Å; F790-Y826 HydrophobicContact CG-CD1 3.67Å; F790-Y826 HydrophobicContact CG-CE1 4.22Å; F790-Y826 AromaticContact CG-CG 3.95Å; F790-Y826 HydrophobicContact CG-CG 3.95Å; F790-Y826 HydrophobicContact CZ-CD2 4.25Å; F790-Y826 HydrophobicContact CZ-CG 4.03Å; K822-Y826 PolarHBondContact O-N 3.3Å; A823-Y826 PolarHBondContact O-N 3.49Å; L824-Y826 VanDerWaalsContact C-N 3.31Å; L824-Y826 PolarHBondContact O-N 3.15Å; Y826-R828 PolarHBondContact O-N 3.5Å; Y826-Q829 WeakPolarHBondContact O-CB 3.12Å; Y826-Q829 PolarHBondContact O-N 3.38Å; Y826-L830 HydrophobicContact CD1-CD1 3.81Å; Y826-L830 HydrophobicContact CD1-CG 4.37Å; Y826-L830 HydrophobicContact CE1-CD1 3.2Å; Y826-L830 HydrophobicContact CE1-CG 4.01Å; Y826-L830 HydrophobicContact CE2-CD1 4.47Å; Y826-L830 PolarHBondContact O-N 3Å
827	Y	82.9	Confident	81.3	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-28	178.2	-72.4	-64	0	0	0	113	L787 F790 R791 V794 A823 L824 L830 D831 D832 R835 I839	L787-Y827 HydrophobicContact CD1-CE1 3.77Å; F790-Y827 HydrophobicContact CB-CE2 4.04Å; R791-Y827 WeakPolarHBondContact CA-OH 3.35Å; R791-Y827 VanDerWaalsContact CG-OH 3.32Å; R791-Y827 WeakPolarHBondContact CG-OH 3.4Å; R791-Y827 PolarHBondContact N-OH 3.34Å; V794-Y827 HydrophobicContact CG2-CE2 4.24Å; A823-Y827 HydrophobicContact CB-CD2 4.41Å; A823-Y827 HydrophobicContact CB-CE2 4.33Å; A823-Y827 WeakPolarHBondContact O-CD2 3.26Å; A823-Y827 PolarHBondContact O-N 3.32Å; L824-Y827 PolarHBondContact O-N 3.02Å; Y827-L830 HydrophobicContact CD1-CD1 4.14Å; Y827-L830 HydrophobicContact CE1-CD1 4.47Å; Y827-L830 PolarHBondContact O-N 3.49Å; Y827-D831 PolarHBondContact O-N 3.32Å; Y827-D831 VanDerWaalsContact O-N 3.16Å; Y827-D832 HydrophobicContact CD1-CB 3.98Å; Y827-D832 PolarHBondContact O-N 3.41Å; Y827-R835 HydrophobicContact CD1-CB 4.01Å; Y827-R835 HydrophobicContact CD2-CB 4.32Å; Y827-R835 HydrophobicContact CE1-CB 4.33Å; Y827-R835 HydrophobicContact CE1-CG 4.49Å; Y827-R835 VanDerWaalsContact CE1-NH1 3.33Å; Y827-R835 HydrophobicContact CG-CB 4Å; Y827-R835 PolarHBondContact OH-NH1 3.06Å; Y827-I839 HydrophobicContact CD2-CD1 3.29Å; Y827-I839 HydrophobicContact CE2-CD1 3.73Å; Y827-I839 HydrophobicContact CG-CD1 4.31Å
828	R	82.3	Confident	81.5	Confident	173 Å²	173	46.3 Å²	46.3	65%	0.653	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-39.7	170.3	-168.3	-177.2	76	176	3.2	112	L824 Y826 L830 D831 V836	L824-R828 VanDerWaalsContact O-CB 3.27Å; L824-R828 WeakPolarHBondContact O-CB 3.12Å; L824-R828 PolarHBondContact O-N 3.34Å; Y826-R828 PolarHBondContact O-N 3.5Å; R828-L830 VanDerWaalsContact C-N 3.31Å; R828-D831 PolarHBondContact O-N 3.1Å; R828-V836 HydrophobicContact CB-CG2 4.5Å
829	Q	80.9	Confident	81.7	Confident	151 Å²	151	43.2 Å²	43.2	71%	0.706	20%	0.199	S	C	*	.	H	α-helix	trans	-65.8	-35.1	174.1	-73.3	172.3	-6.9	0	0	111.9	N825 Y826 D831	N825-Q829 WeakPolarHBondContact O-CG 3.2Å; N825-Q829 PolarHBondContact O-N 2.83Å; Y826-Q829 WeakPolarHBondContact O-CB 3.12Å; Y826-Q829 PolarHBondContact O-N 3.38Å; Q829-D831 VanDerWaalsContact C-N 3.3Å; Q829-D831 PolarHBondContact O-N 3.03Å
830	L	76.5	Confident	82.1	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.7	177	-71.3	-175.7	0	0	0	115.2	I520 L787 Y826 Y827 R828 D832	I520-L830 HydrophobicContact CD1-CD2 4.5Å; L787-L830 HydrophobicContact CD1-CD1 3.82Å; Y826-L830 HydrophobicContact CD1-CD1 3.81Å; Y826-L830 HydrophobicContact CD1-CG 4.37Å; Y826-L830 HydrophobicContact CE1-CD1 3.2Å; Y826-L830 HydrophobicContact CE1-CG 4.01Å; Y826-L830 HydrophobicContact CE2-CD1 4.47Å; Y826-L830 PolarHBondContact O-N 3Å; Y827-L830 HydrophobicContact CD1-CD1 4.14Å; Y827-L830 HydrophobicContact CE1-CD1 4.47Å; Y827-L830 PolarHBondContact O-N 3.49Å; R828-L830 VanDerWaalsContact C-N 3.31Å; L830-D832 VanDerWaalsContact C-N 3.28Å; L830-D832 PolarHBondContact O-N 2.92Å
831	D	78.2	Confident	82.2	Confident	66 Å²	66	43.1 Å²	43.1	35%	0.353	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	34.3	-167.9	-163.2	35.8	0	0	0	114.2	Y827 R828 Q829 R833	Y827-D831 PolarHBondContact O-N 3.32Å; Y827-D831 VanDerWaalsContact O-N 3.16Å; R828-D831 PolarHBondContact O-N 3.1Å; Q829-D831 VanDerWaalsContact C-N 3.3Å; Q829-D831 PolarHBondContact O-N 3.03Å; D831-R833 PolarHBondContact O-N 3.14Å; D831-R833 IonicContact OD1-CZ 2.87Å; D831-R833 IonicContact OD1-NE 3.63Å; D831-R833 PolarHBondContact OD1-NE 3.1Å; D831-R833 IonicContact OD1-NH2 2.8Å; D831-R833 PolarHBondContact OD1-NH2 2.63Å; D831-R833 IonicContact OD2-CZ 3.74Å; D831-R833 IonicContact OD2-NE 2.85Å; D831-R833 PolarHBondContact OD2-NE 3.36Å; D831-R833 VanDerWaalsContact OD2-NE 3.15Å; D831-R833 IonicContact OD2-NH2 3.9Å; D831-R833 PolarHBondContact OD2-NH2 2.77Å
832	D	77.7	Confident	82	Confident	5 Å²	5	40 Å²	40	3%	0.027	19%	0.185	C	C	.	.			trans	-85.9	87.9	173.3	-168.1	-32.9	0	0	0	110.8	Y827 L830 K834 R835 V836	Y827-D832 HydrophobicContact CD1-CB 3.98Å; Y827-D832 PolarHBondContact O-N 3.41Å; L830-D832 VanDerWaalsContact C-N 3.28Å; L830-D832 PolarHBondContact O-N 2.92Å; D832-K834 PolarHBondContact O-N 3.25Å; D832-K834 PolarHBondContact OD1-N 3.04Å; D832-R835 HydrophobicContact CB-CB 4.37Å; D832-R835 PolarHBondContact O-N 2.99Å; D832-R835 WeakPolarHBondContact OD1-CG 3.34Å; D832-R835 PolarHBondContact OD1-N 3.16Å; D832-R835 WeakPolarHBondContact OD2-CD 3.41Å; D832-R835 IonicContact OD2-NE 2.71Å; D832-R835 PolarHBondContact OD2-NE 3.26Å; D832-V836 VanDerWaalsContact O-CG2 3.29Å; D832-V836 WeakPolarHBondContact O-CG2 3.22Å; D832-V836 PolarHBondContact O-N 3.24Å
833	R	78.9	Confident	82	Confident	28 Å²	28	35.9 Å²	35.9	11%	0.106	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-40	-172.2	-62.2	134.6	-176.4	-86.6	-6.8	113.4	S558 Y560 D831 R835 V836 L837 F870 F872	S558-R833 VanDerWaalsContact O-CD 3.25Å; S558-R833 WeakPolarHBondContact O-CD 3.4Å; Y560-R833 PolarHBondContact OH-NH1 2.93Å; D831-R833 PolarHBondContact O-N 3.14Å; D831-R833 IonicContact OD1-CZ 2.87Å; D831-R833 IonicContact OD1-NE 3.63Å; D831-R833 PolarHBondContact OD1-NE 3.1Å; D831-R833 IonicContact OD1-NH2 2.8Å; D831-R833 PolarHBondContact OD1-NH2 2.63Å; D831-R833 IonicContact OD2-CZ 3.74Å; D831-R833 IonicContact OD2-NE 2.85Å; D831-R833 PolarHBondContact OD2-NE 3.36Å; D831-R833 VanDerWaalsContact OD2-NE 3.15Å; D831-R833 IonicContact OD2-NH2 3.9Å; D831-R833 PolarHBondContact OD2-NH2 2.77Å; R833-R835 VanDerWaalsContact C-N 3.33Å; R833-R835 PolarHBondContact O-N 2.88Å; R833-V836 PolarHBondContact O-N 3.02Å; R833-L837 WeakPolarHBondContact O-CG 3.46Å; R833-L837 PolarHBondContact O-N 3.02Å; R833-L837 VanDerWaalsContact O-N 3.09Å; R833-F870 HydrophobicContact CB-CD1 4.27Å; R833-F870 HydrophobicContact CB-CD2 3.69Å; R833-F870 HydrophobicContact CB-CE1 4.35Å; R833-F870 HydrophobicContact CB-CE2 3.78Å; R833-F870 HydrophobicContact CB-CG 3.94Å; R833-F870 HydrophobicContact CB-CZ 4.1Å; R833-F870 HydrophobicContact CG-CD1 3.81Å; R833-F870 HydrophobicContact CG-CD2 4.12Å; R833-F870 HydrophobicContact CG-CE1 3.72Å; R833-F870 HydrophobicContact CG-CE2 4.03Å; R833-F870 HydrophobicContact CG-CG 4.01Å; R833-F870 HydrophobicContact CG-CZ 3.82Å; R833-F872 HydrophobicContact CB-CE2 4.26Å
834	K	78.4	Confident	82.1	Confident	73 Å²	73	36.9 Å²	36.9	32%	0.317	18%	0.175	S	C	.	.	H	α-helix	trans	-61.6	-46.3	-179.5	-177.4	-170.5	170	-158.9	0	109.4	D832 L837 D838 D883	D832-K834 PolarHBondContact O-N 3.25Å; D832-K834 PolarHBondContact OD1-N 3.04Å; K834-L837 WeakPolarHBondContact O-CB 3.33Å; K834-L837 PolarHBondContact O-N 3.31Å; K834-D838 PolarHBondContact O-N 3.46Å; K834-D883 IonicContact NZ-OD1 3.21Å; K834-D883 IonicContact NZ-OD2 3.15Å; K834-D883 PolarHBondContact NZ-OD2 2.97Å
835	R	79.6	Confident	81.8	Confident	20 Å²	20	38.1 Å²	38.1	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-73.3	-34.1	-178	-66.4	-175.1	-179.2	-162.1	-10.2	113.5	R791 Y827 D832 R833 L837 D838 I839	R791-R835 VanDerWaalsContact CZ-CZ 3.47Å; R791-R835 VanDerWaalsContact CZ-NH1 3.27Å; R791-R835 VanDerWaalsContact NE-CZ 3.35Å; R791-R835 VanDerWaalsContact NE-NH2 3.16Å; R791-R835 VanDerWaalsContact NH2-NH1 3.18Å; Y827-R835 HydrophobicContact CD1-CB 4.01Å; Y827-R835 HydrophobicContact CD2-CB 4.32Å; Y827-R835 HydrophobicContact CE1-CB 4.33Å; Y827-R835 HydrophobicContact CE1-CG 4.49Å; Y827-R835 VanDerWaalsContact CE1-NH1 3.33Å; Y827-R835 HydrophobicContact CG-CB 4Å; Y827-R835 PolarHBondContact OH-NH1 3.06Å; D832-R835 HydrophobicContact CB-CB 4.37Å; D832-R835 PolarHBondContact O-N 2.99Å; D832-R835 WeakPolarHBondContact OD1-CG 3.34Å; D832-R835 PolarHBondContact OD1-N 3.16Å; D832-R835 WeakPolarHBondContact OD2-CD 3.41Å; D832-R835 IonicContact OD2-NE 2.71Å; D832-R835 PolarHBondContact OD2-NE 3.26Å; R833-R835 VanDerWaalsContact C-N 3.33Å; R833-R835 PolarHBondContact O-N 2.88Å; R835-L837 VanDerWaalsContact C-N 3.28Å; R835-L837 PolarHBondContact O-N 3.22Å; R835-D838 PolarHBondContact O-N 3.11Å; R835-I839 WeakPolarHBondContact O-CB 3.1Å; R835-I839 VanDerWaalsContact O-CG1 3.28Å; R835-I839 WeakPolarHBondContact O-CG1 3.27Å; R835-I839 PolarHBondContact O-N 3.06Å
836	V	84.6	Confident	81.5	Confident	12 Å²	12	35 Å²	35	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-46.8	169.9	167.6	0	0	0	0	110.1	L824 R828 D832 R833 I839 L840 L866	L824-V836 HydrophobicContact CD1-CG1 4.04Å; R828-V836 HydrophobicContact CB-CG2 4.5Å; D832-V836 VanDerWaalsContact O-CG2 3.29Å; D832-V836 WeakPolarHBondContact O-CG2 3.22Å; D832-V836 PolarHBondContact O-N 3.24Å; R833-V836 PolarHBondContact O-N 3.02Å; V836-I839 PolarHBondContact O-N 2.62Å; V836-L840 HydrophobicContact CG1-CD1 4.24Å; V836-L840 VanDerWaalsContact O-CG 3.28Å; V836-L840 WeakPolarHBondContact O-CG 3.24Å; V836-L840 PolarHBondContact O-N 3.22Å; V836-L840 VanDerWaalsContact O-N 3.08Å; V836-L866 HydrophobicContact CG1-CD1 4.17Å
837	L	84.6	Confident	81.4	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-45.7	176	-68.3	179.9	0	0	0	112.2	R833 K834 R835 I839 L840 V841 F863 L866 R867 F870 F872	R833-L837 WeakPolarHBondContact O-CG 3.46Å; R833-L837 PolarHBondContact O-N 3.02Å; R833-L837 VanDerWaalsContact O-N 3.09Å; K834-L837 WeakPolarHBondContact O-CB 3.33Å; K834-L837 PolarHBondContact O-N 3.31Å; R835-L837 VanDerWaalsContact C-N 3.28Å; R835-L837 PolarHBondContact O-N 3.22Å; L837-I839 VanDerWaalsContact C-N 3.32Å; L837-I839 PolarHBondContact O-N 2.82Å; L837-L840 PolarHBondContact O-N 3.11Å; L837-V841 WeakPolarHBondContact O-CG2 3.46Å; L837-V841 PolarHBondContact O-N 2.9Å; L837-V841 VanDerWaalsContact O-N 3.08Å; L837-F863 HydrophobicContact CB-CD2 4.31Å; L837-F863 HydrophobicContact CB-CE2 4.02Å; L837-F863 HydrophobicContact CD2-CD2 3.78Å; L837-F863 HydrophobicContact CD2-CE2 4Å; L837-F863 HydrophobicContact CG-CE2 4.46Å; L837-L866 HydrophobicContact CD2-CB 3.96Å; L837-R867 HydrophobicContact CD1-CB 4.47Å; L837-R867 HydrophobicContact CD2-CB 4.28Å; L837-F870 HydrophobicContact CD1-CD2 4.05Å; L837-F870 HydrophobicContact CD2-CD2 4.22Å; L837-F870 HydrophobicContact CD2-CE2 4.32Å; L837-F870 HydrophobicContact CG-CD2 4.04Å; L837-F870 HydrophobicContact CG-CE2 4.25Å; L837-F872 HydrophobicContact CD1-CD2 3.45Å; L837-F872 VanDerWaalsContact CD1-CD2 3.45Å; L837-F872 HydrophobicContact CD1-CE2 3.7Å; L837-F872 HydrophobicContact CD1-CG 4.35Å
838	D	81.3	Confident	81.5	Confident	30 Å²	30	38.8 Å²	38.8	16%	0.16	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-41	178.7	-74.7	-11.7	0	0	0	112.4	R798 K834 R835 V841 L842	R798-D838 IonicContact NH2-OD2 3.89Å; K834-D838 PolarHBondContact O-N 3.46Å; R835-D838 PolarHBondContact O-N 3.11Å; D838-V841 PolarHBondContact O-N 3.34Å; D838-L842 WeakPolarHBondContact O-CG 2.79Å; D838-L842 PolarHBondContact O-N 3.32Å
839	I	84.8	Confident	81.1	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-39.8	178.3	-68.6	166.8	0	0	0	111	V794 L820 A823 L824 Y827 R835 V836 L837 V841 L842 M843	V794-I839 HydrophobicContact CG2-CD1 3.96Å; V794-I839 HydrophobicContact CG2-CG1 4.07Å; L820-I839 HydrophobicContact CB-CG2 4.35Å; L820-I839 HydrophobicContact CD2-CG2 4.38Å; A823-I839 HydrophobicContact CB-CD1 4Å; L824-I839 HydrophobicContact CB-CG2 3.95Å; L824-I839 HydrophobicContact CD1-CB 4.21Å; L824-I839 HydrophobicContact CD1-CG2 4Å; Y827-I839 HydrophobicContact CD2-CD1 3.29Å; Y827-I839 HydrophobicContact CE2-CD1 3.73Å; Y827-I839 HydrophobicContact CG-CD1 4.31Å; R835-I839 WeakPolarHBondContact O-CB 3.1Å; R835-I839 VanDerWaalsContact O-CG1 3.28Å; R835-I839 WeakPolarHBondContact O-CG1 3.27Å; R835-I839 PolarHBondContact O-N 3.06Å; V836-I839 PolarHBondContact O-N 2.62Å; L837-I839 VanDerWaalsContact C-N 3.32Å; L837-I839 PolarHBondContact O-N 2.82Å; I839-V841 PolarHBondContact O-N 3.09Å; I839-L842 PolarHBondContact O-N 3.31Å; I839-L842 VanDerWaalsContact O-N 3.16Å; I839-M843 HydrophobicContact CG2-CG 4.19Å; I839-M843 HydrophobicContact CG2-SD 4.05Å; I839-M843 VanDerWaalsContact O-CG 3.31Å; I839-M843 WeakPolarHBondContact O-CG 3.37Å; I839-M843 PolarHBondContact O-N 3.49Å
840	L	86.3	Confident	80.9	Confident	11 Å²	11	27 Å²	27	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-37.7	174.5	-70.2	169.6	0	0	0	111.5	L824 V836 L837 M843 A844 V859 F863 L866	L824-L840 HydrophobicContact CD1-CD2 4.27Å; L824-L840 HydrophobicContact CD1-CG 4.21Å; L824-L840 HydrophobicContact CD2-CD2 4.25Å; V836-L840 HydrophobicContact CG1-CD1 4.24Å; V836-L840 VanDerWaalsContact O-CG 3.28Å; V836-L840 WeakPolarHBondContact O-CG 3.24Å; V836-L840 PolarHBondContact O-N 3.22Å; V836-L840 VanDerWaalsContact O-N 3.08Å; L837-L840 PolarHBondContact O-N 3.11Å; L840-M843 PolarHBondContact O-N 2.95Å; L840-A844 WeakPolarHBondContact O-CB 3.38Å; L840-A844 PolarHBondContact O-N 2.92Å; L840-V859 HydrophobicContact CB-CG1 4.19Å; L840-V859 HydrophobicContact CD2-CG1 3.97Å; L840-V859 WeakPolarHBondContact O-CG1 3.44Å; L840-F863 HydrophobicContact CB-CB 4.39Å; L840-F863 HydrophobicContact CB-CD2 4.43Å; L840-F863 HydrophobicContact CD1-CB 4.46Å; L840-L866 HydrophobicContact CD1-CD1 3.66Å
841	V	84.9	Confident	81.1	Confident	36 Å²	36	31.8 Å²	31.8	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-41.2	175.3	-179.8	0	0	0	0	111.7	L837 D838 I839 A844 A845 F863 Y880	L837-V841 WeakPolarHBondContact O-CG2 3.46Å; L837-V841 PolarHBondContact O-N 2.9Å; L837-V841 VanDerWaalsContact O-N 3.08Å; D838-V841 PolarHBondContact O-N 3.34Å; I839-V841 PolarHBondContact O-N 3.09Å; V841-A844 PolarHBondContact O-N 3.37Å; V841-A845 WeakPolarHBondContact O-CB 3.49Å; V841-A845 PolarHBondContact O-N 2.92Å; V841-F863 HydrophobicContact CG2-CD2 3.78Å; V841-F863 HydrophobicContact CG2-CE2 3.5Å; V841-F863 VanDerWaalsContact CG2-CE2 3.5Å; V841-F863 HydrophobicContact CG2-CZ 4.16Å; V841-Y880 HydrophobicContact CG1-CE1 4.21Å; V841-Y880 WeakPolarHBondContact CG1-OH 3.42Å
842	L	81.7	Confident	81.3	Confident	19 Å²	19	31.7 Å²	31.7	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-43	174.2	-66.3	170.9	0	0	0	112.3	V794 R798 L820 D838 I839 A844 A845 A846	V794-L842 HydrophobicContact CG1-CD1 3.72Å; R798-L842 HydrophobicContact CG-CD1 3.77Å; R798-L842 HydrophobicContact CG-CD2 3.52Å; R798-L842 HydrophobicContact CG-CG 4.29Å; L820-L842 HydrophobicContact CD1-CB 4.05Å; L820-L842 HydrophobicContact CD2-CD1 4.38Å; D838-L842 WeakPolarHBondContact O-CG 2.79Å; D838-L842 PolarHBondContact O-N 3.32Å; I839-L842 PolarHBondContact O-N 3.31Å; I839-L842 VanDerWaalsContact O-N 3.16Å; L842-A844 VanDerWaalsContact C-N 3.32Å; L842-A844 PolarHBondContact O-N 3.33Å; L842-A845 PolarHBondContact O-N 3.34Å; L842-A846 WeakPolarHBondContact O-CB 3.44Å; L842-A846 PolarHBondContact O-N 2.93Å
843	M	84	Confident	81.6	Confident	15 Å²	15	36.8 Å²	36.8	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.7	-70.4	179.8	75.4	0	0	111.3	M817 L820 L824 I839 L840 A846 L847 V859	M817-M843 HydrophobicContact CE-CB 4.36Å; M817-M843 HydrophobicContact CE-CE 3.68Å; M817-M843 HydrophobicContact SD-CB 4.27Å; M817-M843 HydrophobicContact SD-CE 4.42Å; M817-M843 HydrophobicContact SD-CG 4.26Å; L820-M843 HydrophobicContact CB-CG 3.96Å; L820-M843 HydrophobicContact CB-SD 4.48Å; L820-M843 HydrophobicContact CD1-CG 3.75Å; L824-M843 HydrophobicContact CD2-SD 4.03Å; I839-M843 HydrophobicContact CG2-CG 4.19Å; I839-M843 HydrophobicContact CG2-SD 4.05Å; I839-M843 VanDerWaalsContact O-CG 3.31Å; I839-M843 WeakPolarHBondContact O-CG 3.37Å; I839-M843 PolarHBondContact O-N 3.49Å; L840-M843 PolarHBondContact O-N 2.95Å; M843-A846 PolarHBondContact O-N 2.79Å; M843-L847 WeakPolarHBondContact O-CB 3.27Å; M843-L847 VanDerWaalsContact O-CG 3.24Å; M843-L847 WeakPolarHBondContact O-CG 3.05Å; M843-L847 PolarHBondContact O-N 2.71Å; M843-V859 HydrophobicContact CB-CG1 4.2Å
844	A	83.7	Confident	82	Confident	21 Å²	21	40.4 Å²	40.4	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-40.9	175.6	0	0	0	0	0	111.9	L840 V841 L842 N848 R856 V859	L840-A844 WeakPolarHBondContact O-CB 3.38Å; L840-A844 PolarHBondContact O-N 2.92Å; V841-A844 PolarHBondContact O-N 3.37Å; L842-A844 VanDerWaalsContact C-N 3.32Å; L842-A844 PolarHBondContact O-N 3.33Å; A844-N848 WeakPolarHBondContact O-CB 3.3Å; A844-N848 PolarHBondContact O-N 3.24Å; A844-R856 HydrophobicContact CB-CG 4.37Å; A844-V859 HydrophobicContact CB-CG1 4.1Å
845	A	79.7	Confident	82.3	Confident	53 Å²	53	41.7 Å²	41.7	44%	0.438	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-44.8	175.5	0	0	0	0	0	111.9	V841 L842 N848 S849	V841-A845 WeakPolarHBondContact O-CB 3.49Å; V841-A845 PolarHBondContact O-N 2.92Å; L842-A845 PolarHBondContact O-N 3.34Å; A845-N848 WeakPolarHBondContact O-CB 3.28Å; A845-N848 PolarHBondContact O-N 3.29Å; A845-S849 PolarHBondContact O-N 3.01Å
846	A	77.6	Confident	82.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-49	175.3	0	0	0	0	0	111.5	L801 I813 M817 L842 M843 N848 S849 V850	L801-A846 HydrophobicContact CD2-CB 3.93Å; I813-A846 HydrophobicContact CG2-CB 4.25Å; M817-A846 HydrophobicContact SD-CB 4.01Å; L842-A846 WeakPolarHBondContact O-CB 3.44Å; L842-A846 PolarHBondContact O-N 2.93Å; M843-A846 PolarHBondContact O-N 2.79Å; A846-N848 PolarHBondContact O-N 2.84Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 VanDerWaalsContact O-N 3.09Å; A846-S849 PolarHBondContact O-OG 3.38Å; A846-V850 WeakPolarHBondContact O-CG2 3.5Å; A846-V850 PolarHBondContact O-N 3.43Å
847	L	81.7	Confident	82.8	Confident	12 Å²	12	47 Å²	47	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-32.8	176.8	-72.2	168.2	0	0	0	112.7	M817 M843 V850 N851 E852 K855 R856 V859	M817-L847 HydrophobicContact CE-CD1 3.8Å; M817-L847 HydrophobicContact CE-CD2 3.7Å; M817-L847 HydrophobicContact CE-CG 3.6Å; M817-L847 HydrophobicContact SD-CG 4.27Å; M843-L847 WeakPolarHBondContact O-CB 3.27Å; M843-L847 VanDerWaalsContact O-CG 3.24Å; M843-L847 WeakPolarHBondContact O-CG 3.05Å; M843-L847 PolarHBondContact O-N 2.71Å; L847-V850 PolarHBondContact O-N 2.98Å; L847-N851 PolarHBondContact O-N 2.91Å; L847-E852 HydrophobicContact CD2-CB 3.89Å; L847-E852 PolarHBondContact O-N 3.24Å; L847-K855 HydrophobicContact CD1-CB 3.88Å; L847-K855 HydrophobicContact CD2-CB 3.94Å; L847-K855 HydrophobicContact CD2-CD 4.2Å; L847-R856 HydrophobicContact CB-CB 3.86Å; L847-R856 HydrophobicContact CB-CG 4.49Å; L847-V859 HydrophobicContact CD1-CG2 3.78Å
848	N	83.1	Confident	83	Confident	78 Å²	78	52.3 Å²	52.3	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-38.4	174.7	-163.3	69.9	0	0	0	111.8	A844 A845 A846 V850 N851 R856	A844-N848 WeakPolarHBondContact O-CB 3.3Å; A844-N848 PolarHBondContact O-N 3.24Å; A845-N848 WeakPolarHBondContact O-CB 3.28Å; A845-N848 PolarHBondContact O-N 3.29Å; A846-N848 PolarHBondContact O-N 2.84Å; N848-V850 PolarHBondContact O-N 2.93Å; N848-N851 PolarHBondContact O-N 3.3Å; N848-R856 PolarHBondContact OD1-NH2 3.23Å
849	S	75	Confident	83.3	Confident	55 Å²	55	51.8 Å²	51.8	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-22.4	175.2	68.9	0	0	0	0	114	I813 A845 A846	I813-S849 WeakPolarHBondContact CD1-OG 3.46Å; A845-S849 PolarHBondContact O-N 3.01Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 VanDerWaalsContact O-N 3.09Å; A846-S849 PolarHBondContact O-OG 3.38Å
850	V	77.5	Confident	83.4	Confident	21 Å²	21	53.6 Å²	53.6	13%	0.127	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.4	177.9	-170.2	0	0	0	0	112.7	H810 I813 A846 L847 N848 E852	H810-V850 WeakPolarHBondContact CE1-CG1 3.23Å; H810-V850 WeakPolarHBondContact ND1-CG1 3.46Å; I813-V850 HydrophobicContact CB-CG2 3.77Å; I813-V850 HydrophobicContact CD1-CG2 3.27Å; I813-V850 HydrophobicContact CG1-CG2 4.06Å; I813-V850 HydrophobicContact CG2-CG2 3.43Å; I813-V850 VanDerWaalsContact CG2-CG2 3.43Å; A846-V850 WeakPolarHBondContact O-CG2 3.5Å; A846-V850 PolarHBondContact O-N 3.43Å; L847-V850 PolarHBondContact O-N 2.98Å; N848-V850 PolarHBondContact O-N 2.93Å; V850-E852 HydrophobicContact CB-CG 4.25Å; V850-E852 HydrophobicContact CG1-CG 3.88Å; V850-E852 PolarHBondContact O-N 3.49Å
851	N	79.6	Confident	83.4	Confident	105 Å²	105	59.9 Å²	59.9	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	24.3	-172.2	-60.5	-55.8	0	0	0	114.1	L847 N848 Y853	L847-N851 PolarHBondContact O-N 2.91Å; N848-N851 PolarHBondContact O-N 3.3Å; N851-Y853 VanDerWaalsContact C-N 3.28Å; N851-Y853 HydrophobicContact CB-CE2 3.82Å; N851-Y853 WeakPolarHBondContact O-CD2 3.29Å; N851-Y853 WeakPolarHBondContact O-CE2 3.4Å; N851-Y853 PolarHBondContact O-N 3.22Å; N851-Y853 PolarHBondContact OD1-OH 3.21Å
852	E	82.3	Confident	83.5	Confident	64 Å²	64	60.7 Å²	60.7	30%	0.299	32%	0.321	S	S	.	.			trans	-87.6	64.4	179	-82.2	-87.8	-143.2	0	0	110.8	L847 V850 V854 K855 R856	L847-E852 HydrophobicContact CD2-CB 3.89Å; L847-E852 PolarHBondContact O-N 3.24Å; V850-E852 HydrophobicContact CB-CG 4.25Å; V850-E852 HydrophobicContact CG1-CG 3.88Å; V850-E852 PolarHBondContact O-N 3.49Å; E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 3.35Å; E852-K855 PolarHBondContact O-N 2.97Å; E852-K855 IonicContact OE1-NZ 3.78Å; E852-K855 PolarHBondContact OE1-NZ 2.69Å; E852-K855 IonicContact OE2-NZ 3.85Å; E852-R856 WeakPolarHBondContact O-CB 3.21Å; E852-R856 PolarHBondContact O-N 2.91Å
853	Y	85.3	Confident	83.8	Confident	111 Å²	111	61.3 Å²	61.3	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-33.1	-169.7	-60.5	-64.5	0	0	0	114.3	N851 R856 N857	N851-Y853 VanDerWaalsContact C-N 3.28Å; N851-Y853 HydrophobicContact CB-CE2 3.82Å; N851-Y853 WeakPolarHBondContact O-CD2 3.29Å; N851-Y853 WeakPolarHBondContact O-CE2 3.4Å; N851-Y853 PolarHBondContact O-N 3.22Å; N851-Y853 PolarHBondContact OD1-OH 3.21Å; Y853-R856 PolarHBondContact O-N 3.31Å; Y853-N857 WeakPolarHBondContact O-CB 3.43Å; Y853-N857 PolarHBondContact O-N 2.89Å; Y853-N857 PolarHBondContact O-ND2 2.95Å
854	V	87	Confident	83.8	Confident	104 Å²	104	65.7 Å²	65.7	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-63.8	-54.6	179.9	-179.9	0	0	0	0	110.1	E852 R856 N857 E858	E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 3.35Å; V854-R856 VanDerWaalsContact C-N 3.33Å; V854-R856 PolarHBondContact O-N 2.92Å; V854-N857 PolarHBondContact O-N 3.33Å; V854-E858 PolarHBondContact O-N 3.48Å
855	K	84.9	Confident	83.9	Confident	100 Å²	100	70.1 Å²	70.1	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-39.4	177.5	-65.3	171.3	-174.1	155.5	0	111.5	L847 E852 N857 E858 V859	L847-K855 HydrophobicContact CD1-CB 3.88Å; L847-K855 HydrophobicContact CD2-CB 3.94Å; L847-K855 HydrophobicContact CD2-CD 4.2Å; E852-K855 PolarHBondContact O-N 2.97Å; E852-K855 IonicContact OE1-NZ 3.78Å; E852-K855 PolarHBondContact OE1-NZ 2.69Å; E852-K855 IonicContact OE2-NZ 3.85Å; K855-N857 VanDerWaalsContact C-N 3.31Å; K855-N857 PolarHBondContact O-N 3.48Å; K855-E858 WeakPolarHBondContact O-CB 3.39Å; K855-E858 PolarHBondContact O-N 3.12Å; K855-V859 WeakPolarHBondContact O-CG2 3.49Å; K855-V859 PolarHBondContact O-N 3.09Å
856	R	86.6	Confident	84.1	Confident	72 Å²	72	70 Å²	70	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-42.8	176.3	-179.4	-97	-77.3	177.7	-12.4	111.6	A844 L847 N848 E852 Y853 V854 E858 V859 S860	A844-R856 HydrophobicContact CB-CG 4.37Å; L847-R856 HydrophobicContact CB-CB 3.86Å; L847-R856 HydrophobicContact CB-CG 4.49Å; N848-R856 PolarHBondContact OD1-NH2 3.23Å; E852-R856 WeakPolarHBondContact O-CB 3.21Å; E852-R856 PolarHBondContact O-N 2.91Å; Y853-R856 PolarHBondContact O-N 3.31Å; V854-R856 VanDerWaalsContact C-N 3.33Å; V854-R856 PolarHBondContact O-N 2.92Å; R856-E858 VanDerWaalsContact C-N 3.33Å; R856-V859 PolarHBondContact O-N 3.24Å; R856-S860 WeakPolarHBondContact O-CB 3.38Å; R856-S860 PolarHBondContact O-N 3.21Å
857	N	88	Confident	84.3	Confident	72 Å²	72	73.7 Å²	73.7	39%	0.385	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-33.9	178.3	-72.9	-21	0	0	0	112.3	Y853 V854 K855 K861	Y853-N857 WeakPolarHBondContact O-CB 3.43Å; Y853-N857 PolarHBondContact O-N 2.89Å; Y853-N857 PolarHBondContact O-ND2 2.95Å; V854-N857 PolarHBondContact O-N 3.33Å; K855-N857 VanDerWaalsContact C-N 3.31Å; K855-N857 PolarHBondContact O-N 3.48Å; N857-K861 VanDerWaalsContact O-CG 3.27Å; N857-K861 WeakPolarHBondContact O-CG 3.42Å; N857-K861 PolarHBondContact O-N 3.47Å
858	E	88.5	Confident	84.3	Confident	117 Å²	117	81 Å²	81	55%	0.547	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-49.4	172.5	-68.1	178.6	168.7	0	0	111.8	V854 K855 R856 S860 K861 S862	V854-E858 PolarHBondContact O-N 3.48Å; K855-E858 WeakPolarHBondContact O-CB 3.39Å; K855-E858 PolarHBondContact O-N 3.12Å; R856-E858 VanDerWaalsContact C-N 3.33Å; E858-S860 VanDerWaalsContact C-N 3.28Å; E858-S860 PolarHBondContact O-N 3.44Å; E858-K861 WeakPolarHBondContact O-CB 3.5Å; E858-K861 PolarHBondContact O-N 3.16Å; E858-K861 VanDerWaalsContact O-N 3.13Å; E858-S862 PolarHBondContact O-N 2.87Å; E858-S862 PolarHBondContact O-OG 3.36Å
859	V	87.2	Confident	84.1	Confident	20 Å²	20	83.7 Å²	83.7	12%	0.121	41%	0.412	C	S	.	.	H	α-helix	trans	-58.8	-41.8	175.8	174.6	0	0	0	0	111	L840 M843 A844 L847 K855 R856 S862 F863	L840-V859 HydrophobicContact CB-CG1 4.19Å; L840-V859 HydrophobicContact CD2-CG1 3.97Å; L840-V859 WeakPolarHBondContact O-CG1 3.44Å; M843-V859 HydrophobicContact CB-CG1 4.2Å; A844-V859 HydrophobicContact CB-CG1 4.1Å; L847-V859 HydrophobicContact CD1-CG2 3.78Å; K855-V859 WeakPolarHBondContact O-CG2 3.49Å; K855-V859 PolarHBondContact O-N 3.09Å; R856-V859 PolarHBondContact O-N 3.24Å; V859-S862 WeakPolarHBondContact O-CB 3.33Å; V859-S862 PolarHBondContact O-N 3.49Å; V859-F863 PolarHBondContact O-N 2.73Å
860	S	85.8	Confident	84.2	Confident	40 Å²	40	82.4 Å²	82.4	28%	0.28	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176.3	-167.9	0	0	0	0	112.3	R856 E858 F863 H864	R856-S860 WeakPolarHBondContact O-CB 3.38Å; R856-S860 PolarHBondContact O-N 3.21Å; E858-S860 VanDerWaalsContact C-N 3.28Å; E858-S860 PolarHBondContact O-N 3.44Å; S860-F863 WeakPolarHBondContact O-CB 3.48Å; S860-F863 PolarHBondContact O-N 2.97Å; S860-H864 PolarHBondContact O-CD2 3.48Å; S860-H864 PolarHBondContact O-N 3.03Å
861	K	88.4	Confident	83.8	Confident	142 Å²	142	83.6 Å²	83.6	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-61.4	-46.3	173.5	-75.7	171.5	-176.8	-179.9	0	110.8	N857 E858 F863 H864 I865	N857-K861 VanDerWaalsContact O-CG 3.27Å; N857-K861 WeakPolarHBondContact O-CG 3.42Å; N857-K861 PolarHBondContact O-N 3.47Å; E858-K861 WeakPolarHBondContact O-CB 3.5Å; E858-K861 PolarHBondContact O-N 3.16Å; E858-K861 VanDerWaalsContact O-N 3.13Å; K861-F863 VanDerWaalsContact C-N 3.32Å; K861-F863 PolarHBondContact O-N 3.5Å; K861-H864 PolarHBondContact O-N 2.98Å; K861-I865 VanDerWaalsContact O-CG1 3.32Å; K861-I865 WeakPolarHBondContact O-CG1 3.34Å; K861-I865 PolarHBondContact O-N 3.4Å
862	S	86.8	Confident	83.1	Confident	54 Å²	54	82.3 Å²	82.3	38%	0.378	41%	0.405	S	S	.	.	H	α-helix	trans	-59	-41.8	175.7	-60.2	0	0	0	0	112.2	E858 V859 I865 L866	E858-S862 PolarHBondContact O-N 2.87Å; E858-S862 PolarHBondContact O-OG 3.36Å; V859-S862 WeakPolarHBondContact O-CB 3.33Å; V859-S862 PolarHBondContact O-N 3.49Å; S862-I865 PolarHBondContact O-N 3.35Å; S862-L866 WeakPolarHBondContact O-CB 3.44Å; S862-L866 VanDerWaalsContact O-CG 3.31Å; S862-L866 WeakPolarHBondContact O-CG 3.42Å; S862-L866 PolarHBondContact O-N 3.08Å
863	F	87.1	Confident	81.8	Confident	32 Å²	32	88.7 Å²	88.7	14%	0.14	43%	0.432	C	S	.	.	H	α-helix	trans	-58.9	-47.3	174.9	172.6	-92.8	0	0	0	112	L837 L840 V841 V859 S860 K861 L866 R867	L837-F863 HydrophobicContact CB-CD2 4.31Å; L837-F863 HydrophobicContact CB-CE2 4.02Å; L837-F863 HydrophobicContact CD2-CD2 3.78Å; L837-F863 HydrophobicContact CD2-CE2 4Å; L837-F863 HydrophobicContact CG-CE2 4.46Å; L840-F863 HydrophobicContact CB-CB 4.39Å; L840-F863 HydrophobicContact CB-CD2 4.43Å; L840-F863 HydrophobicContact CD1-CB 4.46Å; V841-F863 HydrophobicContact CG2-CD2 3.78Å; V841-F863 HydrophobicContact CG2-CE2 3.5Å; V841-F863 VanDerWaalsContact CG2-CE2 3.5Å; V841-F863 HydrophobicContact CG2-CZ 4.16Å; V859-F863 PolarHBondContact O-N 2.73Å; S860-F863 WeakPolarHBondContact O-CB 3.48Å; S860-F863 PolarHBondContact O-N 2.97Å; K861-F863 VanDerWaalsContact C-N 3.32Å; K861-F863 PolarHBondContact O-N 3.5Å; F863-L866 PolarHBondContact O-N 3.34Å; F863-R867 WeakPolarHBondContact O-CB 3.45Å; F863-R867 PolarHBondContact O-N 2.92Å
864	H	84.2	Confident	79.9	Confident	107 Å²	107	88.1 Å²	88.1	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-44.9	179.5	-74	-64.9	0	0	0	112.6	S860 K861 R867 E868	S860-H864 PolarHBondContact O-CD2 3.48Å; S860-H864 PolarHBondContact O-N 3.03Å; K861-H864 PolarHBondContact O-N 2.98Å; H864-R867 PolarHBondContact O-N 3.39Å; H864-E868 PolarHBondContact O-N 3.29Å
865	I	85.7	Confident	77.6	Confident	114 Å²	114	87.3 Å²	87.3	59%	0.585	44%	0.436	S	S	*	.	H	α-helix	trans	-59.8	-48.8	177.4	-66.7	165.3	0	0	0	110.6	K861 S862 E868 H869	K861-I865 VanDerWaalsContact O-CG1 3.32Å; K861-I865 WeakPolarHBondContact O-CG1 3.34Å; K861-I865 PolarHBondContact O-N 3.4Å; S862-I865 PolarHBondContact O-N 3.35Å; I865-E868 PolarHBondContact O-N 3.47Å; I865-H869 WeakPolarHBondContact O-CB 3.11Å; I865-H869 PolarHBondContact O-N 3.5Å
866	L	84.2	Confident	75.2	Confident	51 Å²	51	85.7 Å²	85.7	27%	0.267	44%	0.436	S	S	.	.	H	α-helix	trans	-69.4	-38.3	-178.7	-71.5	172.6	0	0	0	112.1	V836 L837 L840 S862 F863 E868 H869 F870	V836-L866 HydrophobicContact CG1-CD1 4.17Å; L837-L866 HydrophobicContact CD2-CB 3.96Å; L840-L866 HydrophobicContact CD1-CD1 3.66Å; S862-L866 WeakPolarHBondContact O-CB 3.44Å; S862-L866 VanDerWaalsContact O-CG 3.31Å; S862-L866 WeakPolarHBondContact O-CG 3.42Å; S862-L866 PolarHBondContact O-N 3.08Å; F863-L866 PolarHBondContact O-N 3.34Å; L866-E868 VanDerWaalsContact C-N 3.31Å; L866-E868 PolarHBondContact O-N 2.86Å; L866-H869 PolarHBondContact O-N 2.91Å; L866-F870 HydrophobicContact CB-CD2 4.23Å; L866-F870 HydrophobicContact CB-CE2 3.83Å; L866-F870 HydrophobicContact CB-CZ 4.25Å; L866-F870 HydrophobicContact CD2-CE1 4.34Å; L866-F870 HydrophobicContact CD2-CE2 4.28Å; L866-F870 HydrophobicContact CD2-CZ 3.83Å; L866-F870 HydrophobicContact CG-CE2 4.49Å; L866-F870 VanDerWaalsContact O-CB 3.3Å; L866-F870 WeakPolarHBondContact O-CB 3.44Å; L866-F870 WeakPolarHBondContact O-CD2 3.49Å; L866-F870 WeakPolarHBondContact O-CG 3.5Å; L866-F870 PolarHBondContact O-N 3.22Å
867	R	81.5	Confident	72.5	Confident	76 Å²	76	87.4 Å²	87.4	29%	0.287	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-42	176.8	-179.2	-177.7	169.9	-172.8	-4.1	111.7	L837 F863 H864 G871 F872	L837-R867 HydrophobicContact CD1-CB 4.47Å; L837-R867 HydrophobicContact CD2-CB 4.28Å; F863-R867 WeakPolarHBondContact O-CB 3.45Å; F863-R867 PolarHBondContact O-N 2.92Å; H864-R867 PolarHBondContact O-N 3.39Å; R867-G871 PolarHBondContact O-N 2.65Å; R867-F872 HydrophobicContact CG-CB 4.12Å; R867-F872 PolarHBondContact NE-O 3.27Å; R867-F872 PolarHBondContact O-N 2.9Å
868	E	80.9	Confident	69.8	Low	167 Å²	167	90.5 Å²	90.5	78%	0.78	48%	0.475	S	S	*	.	H	α-helix	trans	-65.9	-48	174.9	-173.2	176.5	-175.6	0	0	110.9	H864 I865 L866 F870 G871	H864-E868 PolarHBondContact O-N 3.29Å; I865-E868 PolarHBondContact O-N 3.47Å; L866-E868 VanDerWaalsContact C-N 3.31Å; L866-E868 PolarHBondContact O-N 2.86Å; E868-F870 VanDerWaalsContact C-N 3.28Å; E868-F870 PolarHBondContact O-N 3.26Å; E868-G871 PolarHBondContact O-N 3.49Å
869	H	79.8	Confident	67.1	Low	133 Å²	133	91.9 Å²	91.9	62%	0.616	48%	0.476	S	S	*	.	H	α-helix	trans	-59.5	-36.8	178.4	-172.5	67.8	0	0	0	113.2	I865 L866 G871	I865-H869 WeakPolarHBondContact O-CB 3.11Å; I865-H869 PolarHBondContact O-N 3.5Å; L866-H869 PolarHBondContact O-N 2.91Å; H869-G871 VanDerWaalsContact C-N 3.32Å
870	F	76.9	Confident	64.5	Low	28 Å²	28	97.3 Å²	97.3	12%	0.123	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.7	178.5	-59.8	-26.6	0	0	0	113.7	R833 L837 L866 E868 F872	R833-F870 HydrophobicContact CB-CD1 4.27Å; R833-F870 HydrophobicContact CB-CD2 3.69Å; R833-F870 HydrophobicContact CB-CE1 4.35Å; R833-F870 HydrophobicContact CB-CE2 3.78Å; R833-F870 HydrophobicContact CB-CG 3.94Å; R833-F870 HydrophobicContact CB-CZ 4.1Å; R833-F870 HydrophobicContact CG-CD1 3.81Å; R833-F870 HydrophobicContact CG-CD2 4.12Å; R833-F870 HydrophobicContact CG-CE1 3.72Å; R833-F870 HydrophobicContact CG-CE2 4.03Å; R833-F870 HydrophobicContact CG-CG 4.01Å; R833-F870 HydrophobicContact CG-CZ 3.82Å; L837-F870 HydrophobicContact CD1-CD2 4.05Å; L837-F870 HydrophobicContact CD2-CD2 4.22Å; L837-F870 HydrophobicContact CD2-CE2 4.32Å; L837-F870 HydrophobicContact CG-CD2 4.04Å; L837-F870 HydrophobicContact CG-CE2 4.25Å; L866-F870 HydrophobicContact CB-CD2 4.23Å; L866-F870 HydrophobicContact CB-CE2 3.83Å; L866-F870 HydrophobicContact CB-CZ 4.25Å; L866-F870 HydrophobicContact CD2-CE1 4.34Å; L866-F870 HydrophobicContact CD2-CE2 4.28Å; L866-F870 HydrophobicContact CD2-CZ 3.83Å; L866-F870 HydrophobicContact CG-CE2 4.49Å; L866-F870 VanDerWaalsContact O-CB 3.3Å; L866-F870 WeakPolarHBondContact O-CB 3.44Å; L866-F870 WeakPolarHBondContact O-CD2 3.49Å; L866-F870 WeakPolarHBondContact O-CG 3.5Å; L866-F870 PolarHBondContact O-N 3.22Å; E868-F870 VanDerWaalsContact C-N 3.28Å; E868-F870 PolarHBondContact O-N 3.26Å; F870-F872 HydrophobicContact CB-CD2 3.56Å; F870-F872 HydrophobicContact CB-CE2 3.63Å; F870-F872 HydrophobicContact CD2-CD2 4.47Å; F870-F872 HydrophobicContact CD2-CE2 4.22Å; F870-F872 HydrophobicContact CG-CE2 4.34Å; F870-F872 PolarHBondContact O-N 3.08Å
871	G	68.6	Low	62.1	Low	47 Å²	47	96.5 Å²	96.5	49%	0.485	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	17.6	175.3	0	0	0	0	0	115.7	R867 E868 H869 K873	R867-G871 PolarHBondContact O-N 2.65Å; E868-G871 PolarHBondContact O-N 3.49Å; H869-G871 VanDerWaalsContact C-N 3.32Å; G871-K873 PolarHBondContact O-N 3.48Å
872	F	66.3	Low	59.5	Low	77 Å²	77	91.1 Å²	91.1	34%	0.338	47%	0.467	S	S	.	.			trans	-74.9	83.7	177.8	-70.4	-71.7	0	0	0	111.5	R833 L837 R867 F870 S874	R833-F872 HydrophobicContact CB-CE2 4.26Å; L837-F872 HydrophobicContact CD1-CD2 3.45Å; L837-F872 VanDerWaalsContact CD1-CD2 3.45Å; L837-F872 HydrophobicContact CD1-CE2 3.7Å; L837-F872 HydrophobicContact CD1-CG 4.35Å; R867-F872 HydrophobicContact CG-CB 4.12Å; R867-F872 PolarHBondContact NE-O 3.27Å; R867-F872 PolarHBondContact O-N 2.9Å; F870-F872 HydrophobicContact CB-CD2 3.56Å; F870-F872 HydrophobicContact CB-CE2 3.63Å; F870-F872 HydrophobicContact CD2-CD2 4.47Å; F870-F872 HydrophobicContact CD2-CE2 4.22Å; F870-F872 HydrophobicContact CG-CE2 4.34Å; F870-F872 PolarHBondContact O-N 3.08Å; F872-S874 PolarHBondContact O-N 3.05Å
873	K	53.6	Low	57.4	Low	198 Å²	198	90 Å²	90	86%	0.861	46%	0.457	S	S	*	.			trans	-75.5	-15.7	-174.5	-72.9	-177.1	178.1	179.3	0	115.4	G871	G871-K873 PolarHBondContact O-N 3.48Å
874	S	45.2	Very low	55.3	Low	100 Å²	100	88.5 Å²	88.5	70%	0.699	45%	0.451	S	S	*	.			trans	-155	115.7	171.5	51.7	0	0	0	0	109.7	F872	F872-S874 PolarHBondContact O-N 3.05Å
875	L	39.9	Very low	53	Low	87 Å²	87	85.1 Å²	85.1	46%	0.455	44%	0.436	S	S	.	.			trans	-76.3	136.4	157	-110.2	90.1	0	0	0	106	S877	L875-S877 PolarHBondContact O-N 2.98Å
876	P	34.9	Very low	51.3	Low	66 Å²	66	83.7 Å²	83.7	43%	0.429	43%	0.429	S	S	.	.			trans	-58	113.8	155.4	8.7	-0.8	0	0	0	106.5	N878 R879	P876-N878 PolarHBondContact O-N 3.15Å; P876-R879 HydrophobicContact CB-CB 4.42Å; P876-R879 HydrophobicContact CB-CG 4.19Å; P876-R879 HydrophobicContact CG-CB 4.26Å; P876-R879 HydrophobicContact CG-CG 4.29Å; P876-R879 PolarHBondContact O-N 3.12Å
877	S	29.4	Very low	49.6	Very low	108 Å²	108	85.4 Å²	85.4	76%	0.755	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	128.5	168.1	41.8	0	0	0	0	109	L875 R879	L875-S877 PolarHBondContact O-N 2.98Å; S877-R879 PolarHBondContact O-N 2.87Å
878	N	30.3	Very low	47.8	Very low	136 Å²	136	85.9 Å²	85.9	73%	0.727	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	13	177.6	-63.4	-15.6	0	0	0	119.6	P876 Y880	P876-N878 PolarHBondContact O-N 3.15Å; N878-Y880 PolarHBondContact O-N 3.37Å
879	R	32.9	Very low	45.9	Very low	146 Å²	146	81.2 Å²	81.2	55%	0.551	43%	0.426	S	S	*	.			trans	-88.5	70.4	166.9	-77.5	-165.8	-172.1	164.5	-0.7	112.1	P876 S877 V881	P876-R879 HydrophobicContact CB-CB 4.42Å; P876-R879 HydrophobicContact CB-CG 4.19Å; P876-R879 HydrophobicContact CG-CB 4.26Å; P876-R879 HydrophobicContact CG-CG 4.29Å; P876-R879 PolarHBondContact O-N 3.12Å; S877-R879 PolarHBondContact O-N 2.87Å; R879-V881 VanDerWaalsContact C-N 3.27Å; R879-V881 HydrophobicContact CB-CG2 4.23Å; R879-V881 PolarHBondContact O-N 3.21Å; R879-V881 VanDerWaalsContact O-N 3.15Å
880	Y	31.1	Very low	43.8	Very low	135 Å²	135	77.9 Å²	77.9	53%	0.529	41%	0.414	S	S	.	.			trans	-78.4	86.9	155.4	-74	-79.9	0	0	0	107.6	V841 N878	V841-Y880 HydrophobicContact CG1-CE1 4.21Å; V841-Y880 WeakPolarHBondContact CG1-OH 3.42Å; N878-Y880 PolarHBondContact O-N 3.37Å
881	V	36.7	Very low	41.6	Very low	22 Å²	22	81.3 Å²	81.3	13%	0.133	43%	0.433	C	S	.	.			trans	-74.4	128.9	173.1	-174.6	0	0	0	0	107.9	T681 R879 D883	T681-V881 HydrophobicContact CG2-CB 4.33Å; T681-V881 HydrophobicContact CG2-CG1 3.81Å; T681-V881 HydrophobicContact CG2-CG2 3.54Å; T681-V881 WeakPolarHBondContact OG1-CG1 3.37Å; R879-V881 VanDerWaalsContact C-N 3.27Å; R879-V881 HydrophobicContact CB-CG2 4.23Å; R879-V881 PolarHBondContact O-N 3.21Å; R879-V881 VanDerWaalsContact O-N 3.15Å; V881-D883 WeakPolarHBondContact CG1-OD1 3.13Å; V881-D883 PolarHBondContact O-N 3.21Å
882	V	33.6	Very low	39.6	Very low	30 Å²	30	83.7 Å²	83.7	18%	0.182	43%	0.43	C	S	.	.			trans	-78.8	78.7	175.2	-174.9	0	0	0	0	107	A717 F795 I884	A717-V882 HydrophobicContact CB-CG1 3.66Å; F795-V882 HydrophobicContact CD2-CG1 3.94Å; F795-V882 HydrophobicContact CE2-CG1 3.95Å; V882-I884 HydrophobicContact CB-CG1 4.45Å; V882-I884 HydrophobicContact CG1-CD1 3.72Å; V882-I884 HydrophobicContact CG1-CG1 3.29Å; V882-I884 PolarHBondContact O-N 2.94Å
883	D	42.7	Very low	37.6	Very low	30 Å²	30	84.2 Å²	84.2	16%	0.16	44%	0.437	C	S	.	.			trans	-71.8	82	170.6	-67.4	8.2	0	0	0	107.5	E677 K834 V881	E677-D883 VanDerWaalsContact OE1-CA 3.3Å; E677-D883 WeakPolarHBondContact OE1-CA 3.42Å; K834-D883 IonicContact NZ-OD1 3.21Å; K834-D883 IonicContact NZ-OD2 3.15Å; K834-D883 PolarHBondContact NZ-OD2 2.97Å; V881-D883 WeakPolarHBondContact CG1-OD1 3.13Å; V881-D883 PolarHBondContact O-N 3.21Å
884	I	42.5	Very low	36.2	Very low	1 Å²	1	74.8 Å²	74.8	1%	0.005	40%	0.401	C	S	.	.			trans	-77.2	-34.7	176.5	-54.6	179.1	0	0	0	110.6	L713 L714 A717 R791 F795 V882	L713-I884 HydrophobicContact CB-CG2 4.15Å; L713-I884 HydrophobicContact CD1-CG2 4.39Å; L714-I884 HydrophobicContact CD2-CB 4.21Å; L714-I884 HydrophobicContact CD2-CD1 3.69Å; L714-I884 HydrophobicContact CD2-CG1 4.29Å; L714-I884 HydrophobicContact CG-CD1 4.23Å; A717-I884 HydrophobicContact CB-CD1 3.23Å; A717-I884 HydrophobicContact CB-CG1 4.28Å; R791-I884 WeakPolarHBondContact CB-O 3.28Å; F795-I884 HydrophobicContact CD2-CD1 4.18Å; F795-I884 HydrophobicContact CD2-CG1 4.04Å; F795-I884 HydrophobicContact CE2-CD1 4.01Å; F795-I884 HydrophobicContact CE2-CG1 4.34Å; F795-I884 HydrophobicContact CG-CG1 4.47Å; F795-I884 HydrophobicContact CZ-CD1 4.32Å; V882-I884 HydrophobicContact CB-CG1 4.45Å; V882-I884 HydrophobicContact CG1-CD1 3.72Å; V882-I884 HydrophobicContact CG1-CG1 3.29Å; V882-I884 PolarHBondContact O-N 2.94Å
885	L	35.7	Very low	35.4	Very low	36 Å²	36	72.5 Å²	72.5	19%	0.188	37%	0.374	C	S	.	.			trans	-108.9	0	-166.4	-70	175.3	0	0	0	114.3	L673 M710 L714 R791	L673-L885 HydrophobicContact CB-CD1 3.68Å; L673-L885 HydrophobicContact CD1-CD1 3.99Å; L673-L885 HydrophobicContact CD2-CD1 3.67Å; L673-L885 HydrophobicContact CG-CD1 3.94Å; M710-L885 HydrophobicContact CB-CD2 3.97Å; M710-L885 HydrophobicContact CE-CD2 3.91Å; M710-L885 HydrophobicContact CG-CD2 3.65Å; M710-L885 HydrophobicContact SD-CD2 3.64Å; L714-L885 HydrophobicContact CD1-CD1 3.59Å; L714-L885 HydrophobicContact CD2-CD1 4.28Å; L714-L885 HydrophobicContact CG-CD1 4.11Å; R791-L885 PolarHBondContact NH1-O 2.92Å; R791-L885 PolarHBondContact NH1-OXT 3.3Å

Retrieved 885 of 885 residues in 1417.6 ms (Link to these results)

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