A0A077ZCR3_TRITR Loading...

Pkinase and Rhodanese and RabGAP-TBC domain conta ining protein

AlphaFold DB , UniProt , Accession A0A077ZCR3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 891 aa.

						>A0A077ZCR3_TRITR|A0A077ZCR3
MHSEVLESKSEQLSRSFGAMRLLLDGHFGVSTLVSRLELATTEYGPNGLPLTPLSINIIGRFPTLKALSSPYLCAYLDIHRGKYERIFVISEHYSKTFYSLLEENIDARLDRFNRVAFSILCGLDYLHTRGIYHTFLAGETVLLSDDVSSARLLAYSFKIVQINPEHYWQLPISEFCVTPPVLLICRAVISNLKKASIHTHLPNVCLGNSETIKIRIVLLDGPWKGRTFGKKVTYSYRSLCLEMANCYRNDYYSAPEFYVNDYGKQCVGPKVDIWSLGILLLELLLVRSFDFTELSSRLVELWLGVIQREPVLLSVLSWLRKEQRLSQEVPSLNIPPWPSEFRMLISKCLQLKPSQSLVIGDLHLLGGLKNHRRVANLNIYSLSMKNLTEVLLLQSLPRLDRSVQSLPLLVKEKDVSYQVKRTALFRRLLAAYPYTREKLISEAVFDIPPIYRGLVWAAILDIPYNITDIYSVVDKATEAATDRQIEVDIPRCHQYDELLSSPTAHQKFKRIIKAWTAFHPEYVYWQGLDSLCAPFLYLHFNNECLAFGCLTAFINSFLKSFFLKDNSAVMRAEATELLLLYTEYLAVFENALAFYDCQLYNHFCKINFHPEVLQVLHHFFSHTVQSISAVRNTVVFDNVCPVCGSYLATLHIVDVMPLYKLFHVWDLLLVSGNCFPICIGVAILSQMRRLLLQSGFNECILLFSDIPEVNLENCLKEAVSAYRVIPKSLMYNRPLSAVLSNSASWIDDYVLKVGGELGMQMEQISKDEDRENGLFPEICADELIYYLDRPDANSGAFLLIDVRSEEEYARKTFPQSRNVPYTIVFKEGECVRFPPLLEELLSHDYRMIVVIGSSRDCRARKTYRVAAFQRYAVERIHAYKDGTKCQAALV
					

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(Predicted Aligned Error values between residue pairs)

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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	28	Very low	34.5	Very low	192 Å²	192	115.9 Å²	115.9	95%	0.946	60%	0.602	S	S	*	*				0	-63.3	0	-73.2	-162.4	174.4	0	0	113.3	S3 V5	M1-S3 PolarHBondContact O-N 3.05Å; M1-V5 WeakPolarHBondContact O-CG2 3.21Å
2	H	32.2	Very low	34.8	Very low	173 Å²	173	118.4 Å²	118.4	80%	0.801	61%	0.609	S	S	*	*	H	α-helix	trans	-68.9	-27.2	-180	-86.2	-64.1	0	0	0	115.3
3	S	29.9	Very low	34.9	Very low	78 Å²	78	117 Å²	117	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-78.3	-39.8	178.2	78.4	0	0	0	0	113.5	M1 V5 L6 E7	M1-S3 PolarHBondContact O-N 3.05Å; S3-V5 VanDerWaalsContact C-N 3.28Å; S3-V5 PolarHBondContact O-N 3.44Å; S3-L6 WeakPolarHBondContact O-CB 3.34Å; S3-L6 PolarHBondContact O-N 3.34Å; S3-E7 PolarHBondContact O-N 2.87Å
4	E	30.5	Very low	34.9	Very low	127 Å²	127	114 Å²	114	59%	0.593	60%	0.596	S	S	*	*	H	α-helix	trans	-62.7	-33.3	177	-72.2	168.8	139.3	0	0	112.7	L6 S8	E4-L6 VanDerWaalsContact C-N 3.33Å; E4-S8 WeakPolarHBondContact O-CB 3.14Å; E4-S8 PolarHBondContact O-N 3.32Å; E4-S8 PolarHBondContact O-OG 3.1Å
5	V	33.2	Very low	35	Very low	81 Å²	81	119.9 Å²	119.9	49%	0.491	61%	0.608	S	S	.	*	H	α-helix	trans	-70.2	-32	174.7	177.5	0	0	0	0	111.4	M1 S3 S8 K9	M1-V5 WeakPolarHBondContact O-CG2 3.21Å; S3-V5 VanDerWaalsContact C-N 3.28Å; S3-V5 PolarHBondContact O-N 3.44Å; V5-S8 PolarHBondContact O-OG 2.87Å; V5-K9 WeakPolarHBondContact O-CB 3.48Å; V5-K9 WeakPolarHBondContact O-CG 3.36Å; V5-K9 PolarHBondContact O-N 3.36Å
6	L	36.1	Very low	35.3	Very low	126 Å²	126	117.4 Å²	117.4	66%	0.66	61%	0.605	S	S	*	*	H	α-helix	trans	-74.9	-41.9	175.1	-76.3	165.9	0	0	0	111.5	S3 E4 S10	S3-L6 WeakPolarHBondContact O-CB 3.34Å; S3-L6 PolarHBondContact O-N 3.34Å; E4-L6 VanDerWaalsContact C-N 3.33Å; L6-S10 WeakPolarHBondContact O-CB 3.37Å; L6-S10 PolarHBondContact O-N 3.09Å
7	E	37.1	Very low	35.4	Very low	124 Å²	124	116.2 Å²	116.2	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-65	-49.1	178	-80.4	179	166.1	0	0	112	S3 K9 S10 E11	S3-E7 PolarHBondContact O-N 2.87Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 3.45Å; E7-S10 WeakPolarHBondContact O-CA 3.47Å; E7-S10 WeakPolarHBondContact O-CB 3.36Å; E7-S10 PolarHBondContact O-N 2.83Å; E7-S10 PolarHBondContact O-OG 3.19Å; E7-E11 PolarHBondContact O-N 2.65Å
8	S	35.4	Very low	35.1	Very low	61 Å²	61	113.8 Å²	113.8	43%	0.427	60%	0.603	S	S	.	*	H	α-helix	trans	-62.1	-37.8	178.2	59.1	0	0	0	0	112.6	E4 V5 Q12	E4-S8 WeakPolarHBondContact O-CB 3.14Å; E4-S8 PolarHBondContact O-N 3.32Å; E4-S8 PolarHBondContact O-OG 3.1Å; V5-S8 PolarHBondContact O-OG 2.87Å; S8-Q12 PolarHBondContact O-N 2.62Å
9	K	40.7	Very low	34.9	Very low	131 Å²	131	112.5 Å²	112.5	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-66.1	-39.3	171.1	-84.4	-175.5	172.7	-177.6	0	112	V5 E7 Q12 L13	V5-K9 WeakPolarHBondContact O-CB 3.48Å; V5-K9 WeakPolarHBondContact O-CG 3.36Å; V5-K9 PolarHBondContact O-N 3.36Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 3.45Å; K9-Q12 PolarHBondContact O-N 2.9Å; K9-L13 WeakPolarHBondContact O-CB 2.9Å; K9-L13 WeakPolarHBondContact O-CD1 3.32Å; K9-L13 WeakPolarHBondContact O-CG 3.2Å; K9-L13 PolarHBondContact O-N 2.95Å
10	S	37	Very low	34.6	Very low	68 Å²	68	113 Å²	113	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-38.7	177.7	86.1	0	0	0	0	112.2	L6 E7 L13 S14	L6-S10 WeakPolarHBondContact O-CB 3.37Å; L6-S10 PolarHBondContact O-N 3.09Å; E7-S10 WeakPolarHBondContact O-CA 3.47Å; E7-S10 WeakPolarHBondContact O-CB 3.36Å; E7-S10 PolarHBondContact O-N 2.83Å; E7-S10 PolarHBondContact O-OG 3.19Å; S10-L13 PolarHBondContact O-N 3.06Å; S10-S14 WeakPolarHBondContact O-CB 3.39Å; S10-S14 PolarHBondContact O-N 2.84Å; S10-S14 PolarHBondContact O-OG 3.19Å
11	E	39.1	Very low	34.6	Very low	114 Å²	114	115.8 Å²	115.8	53%	0.533	61%	0.611	S	S	.	*	H	α-helix	trans	-70.5	-39.8	175.5	-89.2	-163.5	139.2	0	0	112.5	E7 L13 S14 R15	E7-E11 PolarHBondContact O-N 2.65Å; E11-L13 VanDerWaalsContact C-N 3.34Å; E11-S14 WeakPolarHBondContact CA-OG 3.42Å; E11-S14 PolarHBondContact O-N 3.4Å; E11-S14 PolarHBondContact O-OG 2.86Å; E11-R15 WeakPolarHBondContact O-CG 3.45Å; E11-R15 PolarHBondContact O-N 3.23Å
12	Q	38.3	Very low	35.4	Very low	146 Å²	146	112.1 Å²	112.1	68%	0.682	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-43.6	173.3	-101.7	-175	-22.4	0	0	111.3	S8 K9 R15 S16	S8-Q12 PolarHBondContact O-N 2.62Å; K9-Q12 PolarHBondContact O-N 2.9Å; Q12-R15 PolarHBondContact O-N 2.79Å; Q12-S16 PolarHBondContact O-N 2.91Å; Q12-S16 VanDerWaalsContact O-N 3.12Å; Q12-S16 PolarHBondContact O-OG 2.99Å
13	L	36.5	Very low	36.3	Very low	100 Å²	100	105.6 Å²	105.6	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-43.2	175.3	-73	164.6	0	0	0	110.8	K9 S10 E11 R15 S16 F17	K9-L13 WeakPolarHBondContact O-CB 2.9Å; K9-L13 WeakPolarHBondContact O-CD1 3.32Å; K9-L13 WeakPolarHBondContact O-CG 3.2Å; K9-L13 PolarHBondContact O-N 2.95Å; S10-L13 PolarHBondContact O-N 3.06Å; E11-L13 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 3.12Å; L13-S16 PolarHBondContact O-N 3.06Å; L13-S16 PolarHBondContact O-OG 3Å; L13-S16 VanDerWaalsContact O-OG 3.11Å; L13-F17 HydrophobicContact CB-CD2 4.42Å; L13-F17 HydrophobicContact CD2-CD2 4.24Å; L13-F17 HydrophobicContact CD2-CE2 3.71Å; L13-F17 WeakPolarHBondContact O-CB 3.47Å; L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 PolarHBondContact O-N 2.94Å
14	S	34.8	Very low	37.9	Very low	75 Å²	75	108.6 Å²	108.6	52%	0.524	58%	0.575	S	S	.	*	H	α-helix	trans	-67	-33.7	-179.9	74.2	0	0	0	0	113.4	S10 E11 F17	S10-S14 WeakPolarHBondContact O-CB 3.39Å; S10-S14 PolarHBondContact O-N 2.84Å; S10-S14 PolarHBondContact O-OG 3.19Å; E11-S14 WeakPolarHBondContact CA-OG 3.42Å; E11-S14 PolarHBondContact O-N 3.4Å; E11-S14 PolarHBondContact O-OG 2.86Å; S14-F17 CarbonylContact O-C 3.45Å; S14-F17 VanDerWaalsContact O-O 3.1Å
15	R	36.5	Very low	39.6	Very low	202 Å²	202	104 Å²	104	76%	0.762	56%	0.555	S	S	*	*	H	α-helix	trans	-74.4	-35.8	176.4	-73.3	-176.4	-174.5	176.2	6.6	113.4	E11 Q12 L13	E11-R15 WeakPolarHBondContact O-CG 3.45Å; E11-R15 PolarHBondContact O-N 3.23Å; Q12-R15 PolarHBondContact O-N 2.79Å; L13-R15 PolarHBondContact O-N 3.12Å
16	S	39.2	Very low	41.1	Very low	81 Å²	81	100.8 Å²	100.8	57%	0.566	54%	0.538	S	S	*	.	H	α-helix	trans	-75.8	-30.1	176.4	57.1	0	0	0	0	112.7	Q12 L13	Q12-S16 PolarHBondContact O-N 2.91Å; Q12-S16 VanDerWaalsContact O-N 3.12Å; Q12-S16 PolarHBondContact O-OG 2.99Å; L13-S16 PolarHBondContact O-N 3.06Å; L13-S16 PolarHBondContact O-OG 3Å; L13-S16 VanDerWaalsContact O-OG 3.11Å
17	F	37.4	Very low	43	Very low	96 Å²	96	99.5 Å²	99.5	42%	0.421	53%	0.529	S	S	.	.	S	Bend	trans	-102.4	85.2	178.5	-64.8	-64.5	0	0	0	109.9	L13 S14 A19 S417	L13-F17 HydrophobicContact CB-CD2 4.42Å; L13-F17 HydrophobicContact CD2-CD2 4.24Å; L13-F17 HydrophobicContact CD2-CE2 3.71Å; L13-F17 WeakPolarHBondContact O-CB 3.47Å; L13-F17 WeakPolarHBondContact O-CD2 3.34Å; L13-F17 PolarHBondContact O-N 2.94Å; S14-F17 CarbonylContact O-C 3.45Å; S14-F17 VanDerWaalsContact O-O 3.1Å; F17-A19 PolarHBondContact O-N 3Å; F17-S417 WeakPolarHBondContact CE1-OG 3.22Å; F17-S417 WeakPolarHBondContact CZ-OG 3.14Å
18	G	29.6	Very low	44.8	Very low	73 Å²	73	100.2 Å²	100.2	75%	0.753	53%	0.53	S	S	*	.			trans	-44.1	99.5	170.3	0	0	0	0	0	111.5	M20	G18-M20 VanDerWaalsContact C-N 3.28Å; G18-M20 PolarHBondContact O-N 3.44Å
19	A	30.8	Very low	46.7	Very low	89 Å²	89	97.7 Å²	97.7	74%	0.736	51%	0.513	S	S	*	.	S	Bend	trans	33.1	38.7	169.2	0	0	0	0	0	118.6	F17 R21	F17-A19 PolarHBondContact O-N 3Å; A19-R21 PolarHBondContact O-N 3.28Å
20	M	29.5	Very low	48.3	Very low	123 Å²	123	95.8 Å²	95.8	61%	0.606	51%	0.512	S	S	*	.			trans	-82.6	66.4	166.1	-156	179.1	-73.4	0	0	108.9	G18 L22 V420	G18-M20 VanDerWaalsContact C-N 3.28Å; G18-M20 PolarHBondContact O-N 3.44Å; M20-L22 PolarHBondContact O-N 2.81Å; M20-V420 HydrophobicContact SD-CG1 3.34Å; M20-V420 WeakPolarHBondContact SD-CG1 2.87Å
21	R	34	Very low	50.1	Low	171 Å²	171	94.1 Å²	94.1	65%	0.645	50%	0.501	S	S	*	.			trans	-69.9	97.8	177.2	-66.7	-168.4	-179.1	-176	-4.3	108.5	A19 L23 L24	A19-R21 PolarHBondContact O-N 3.28Å; R21-L23 PolarHBondContact O-N 2.63Å; R21-L24 VanDerWaalsContact CB-O 3.29Å; R21-L24 WeakPolarHBondContact CB-O 3.35Å; R21-L24 WeakPolarHBondContact CD-O 3.21Å; R21-L24 PolarHBondContact NH1-O 2.88Å; R21-L24 PolarHBondContact O-N 3.46Å
22	L	44.8	Very low	51.5	Low	116 Å²	116	92.1 Å²	92.1	61%	0.607	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.8	178.3	-83.3	161.1	0	0	0	113.5	M20 V420	M20-L22 PolarHBondContact O-N 2.81Å; L22-V420 HydrophobicContact CD1-CG2 3.85Å; L22-V420 HydrophobicContact CD2-CG1 4.34Å; L22-V420 HydrophobicContact CD2-CG2 4.02Å; L22-V420 HydrophobicContact CG-CG2 4.32Å
23	L	52.3	Low	52.9	Low	36 Å²	36	86.4 Å²	86.4	19%	0.188	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	15.4	-179.6	-67	171.8	0	0	0	113.5	R21 D25 G26 F28 E92	R21-L23 PolarHBondContact O-N 2.63Å; L23-D25 PolarHBondContact O-N 2.84Å; L23-G26 WeakPolarHBondContact CB-O 3.44Å; L23-G26 PolarHBondContact O-N 3.39Å; L23-F28 HydrophobicContact CD1-CD1 4.31Å; L23-F28 HydrophobicContact CD1-CE1 4.19Å; L23-F28 HydrophobicContact CD1-CE2 4.43Å; L23-F28 HydrophobicContact CD1-CG 4.49Å; L23-F28 HydrophobicContact CD1-CZ 4.25Å; L23-E92 HydrophobicContact CD2-CG 4.49Å
24	L	62.1	Low	53.8	Low	141 Å²	141	85.1 Å²	85.1	74%	0.738	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-91.3	-172	-63.5	167.6	0	0	0	112.5	R21	R21-L24 VanDerWaalsContact CB-O 3.29Å; R21-L24 WeakPolarHBondContact CB-O 3.35Å; R21-L24 WeakPolarHBondContact CD-O 3.21Å; R21-L24 PolarHBondContact NH1-O 2.88Å; R21-L24 PolarHBondContact O-N 3.46Å
25	D	66.4	Low	54.8	Low	30 Å²	30	82.2 Å²	82.2	16%	0.16	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.9	177.4	59.4	-29.2	0	0	0	113.3	L23 S145 D146	L23-D25 PolarHBondContact O-N 2.84Å; D25-S145 WeakPolarHBondContact OD2-CB 3.32Å; D25-D146 HydrophobicContact CB-CB 4.02Å; D25-D146 PolarHBondContact OD2-N 3.2Å
26	G	66	Low	55.3	Low	14 Å²	14	79.9 Å²	79.9	14%	0.144	44%	0.437	C	S	.	.			trans	-75.2	152.7	178.1	0	0	0	0	0	114.6	L23	L23-G26 WeakPolarHBondContact CB-O 3.44Å; L23-G26 PolarHBondContact O-N 3.39Å
27	H	76	Confident	55.7	Low	99 Å²	99	80.1 Å²	80.1	46%	0.458	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	169.4	171.3	-58.5	-73.1	0	0	0	110.7	H93	H27-H93 WeakPolarHBondContact CA-O 3.27Å; H27-H93 PolarHBondContact N-O 3.38Å; H27-H93 PolarHBondContact O-N 2.79Å
28	F	75.1	Confident	55.9	Low	139 Å²	139	85 Å²	85	61%	0.61	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.6	167.9	-67	-78.1	0	0	0	110	L23 L77 I90	L23-F28 HydrophobicContact CD1-CD1 4.31Å; L23-F28 HydrophobicContact CD1-CE1 4.19Å; L23-F28 HydrophobicContact CD1-CE2 4.43Å; L23-F28 HydrophobicContact CD1-CG 4.49Å; L23-F28 HydrophobicContact CD1-CZ 4.25Å; F28-L77 HydrophobicContact CD1-CD1 3.53Å; F28-L77 HydrophobicContact CE1-CD1 3.59Å; F28-I90 HydrophobicContact CD1-CG2 4.21Å
29	G	74.7	Confident	56.7	Low	7 Å²	7	86.2 Å²	86.2	7%	0.072	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.3	168.9	0	0	0	0	0	110.8	I90 S91	G29-I90 WeakPolarHBondContact O-CA 3.35Å; G29-S91 PolarHBondContact N-O 2.98Å; G29-S91 PolarHBondContact O-N 3.24Å; G29-S91 PolarHBondContact O-OG 3.33Å
30	V	74.7	Confident	57.3	Low	91 Å²	91	86.3 Å²	86.3	55%	0.552	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.6	175.4	-176.4	0	0	0	0	109	F88 V89 I90	V30-F88 HydrophobicContact CG1-CB 4.33Å; V30-F88 HydrophobicContact CG1-CD1 4.27Å; V30-V89 WeakPolarHBondContact CA-O 3.39Å; V30-I90 HydrophobicContact CG2-CG1 4.37Å
31	S	74	Confident	58.1	Low	34 Å²	34	82.4 Å²	82.4	24%	0.238	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	174.4	-65.7	0	0	0	0	109.5	F88 V89	S31-F88 WeakPolarHBondContact O-CA 3.49Å; S31-V89 PolarHBondContact N-O 3.16Å; S31-V89 PolarHBondContact O-N 3.09Å
32	T	69	Low	58.5	Low	72 Å²	72	80.2 Å²	80.2	44%	0.442	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.3	177.4	-56.8	0	0	0	0	109.9	V34 R86 I87 F88	T32-V34 HydrophobicContact CG2-CG2 4.28Å; T32-R86 HydrophobicContact CG2-CG 3.53Å; T32-I87 CarbonylContact C-O 3.49Å; T32-I87 WeakPolarHBondContact CA-O 3.49Å; T32-F88 HydrophobicContact CG2-CD1 4.19Å; T32-F88 HydrophobicContact CG2-CE1 3.97Å; T32-F88 WeakPolarHBondContact OG1-CD1 3.41Å
33	L	66.7	Low	58.8	Low	26 Å²	26	80.4 Å²	80.4	14%	0.136	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.4	175	-55.7	172.5	0	0	0	108.2	R86 I87 V89 F158 I173 F176	L33-R86 CarbonylContact O-C 3.34Å; L33-R86 WeakPolarHBondContact O-CA 3.4Å; L33-I87 HydrophobicContact CB-CB 4.32Å; L33-I87 PolarHBondContact N-O 2.76Å; L33-I87 PolarHBondContact O-N 2.97Å; L33-V89 HydrophobicContact CD1-CG2 3.88Å; L33-F158 HydrophobicContact CD2-CD2 3.92Å; L33-F158 HydrophobicContact CD2-CE2 4.13Å; L33-F158 HydrophobicContact CD2-CG 4.49Å; L33-I173 HydrophobicContact CD1-CG2 3.91Å; L33-F176 HydrophobicContact CB-CE1 3.88Å; L33-F176 HydrophobicContact CB-CZ 4.2Å
34	V	57.3	Low	58.8	Low	73 Å²	73	86.7 Å²	86.7	44%	0.442	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.2	172.3	-177.3	0	0	0	0	111.1	T32 R36 R86 F176	T32-V34 HydrophobicContact CG2-CG2 4.28Å; V34-R36 PolarHBondContact O-N 3.17Å; V34-R86 HydrophobicContact CG2-CB 4.33Å; V34-R86 HydrophobicContact CG2-CG 3.98Å; V34-F176 WeakPolarHBondContact O-CD1 3.38Å; V34-F176 WeakPolarHBondContact O-CE1 3.29Å
35	S	54.8	Low	58.5	Low	14 Å²	14	80.8 Å²	80.8	10%	0.098	43%	0.428	C	S	.	.			trans	-56	133.4	-178.3	175.5	0	0	0	0	110.1	L37 F176	S35-L37 PolarHBondContact O-N 2.86Å; S35-L37 PolarHBondContact OG-N 2.76Å; S35-L37 VanDerWaalsContact OG-N 3.12Å; S35-L37 PolarHBondContact OG-O 2.66Å; S35-F176 VanDerWaalsContact CA-CZ 3.44Å; S35-F176 VanDerWaalsContact N-CZ 3.31Å
36	R	47.4	Very low	57.7	Low	152 Å²	152	85.9 Å²	85.9	57%	0.574	46%	0.463	S	S	*	.	S	Bend	trans	-70.1	-24.6	172.5	-170.8	174.4	-175.3	170.2	1.8	111.9	V34 E38 C177 T179	V34-R36 PolarHBondContact O-N 3.17Å; R36-E38 PolarHBondContact O-N 2.76Å; R36-C177 WeakPolarHBondContact CD-O 2.85Å; R36-C177 PolarHBondContact NH1-O 2.9Å; R36-T179 PolarHBondContact NH1-OG1 3.48Å
37	L	46.9	Very low	57	Low	86 Å²	86	91.6 Å²	91.6	45%	0.45	49%	0.49	S	S	.	.			trans	-87.4	103.6	175.8	-67.6	162.9	0	0	0	107.6	S35 L39	S35-L37 PolarHBondContact O-N 2.86Å; S35-L37 PolarHBondContact OG-N 2.76Å; S35-L37 VanDerWaalsContact OG-N 3.12Å; S35-L37 PolarHBondContact OG-O 2.66Å; L37-L39 HydrophobicContact CB-CB 4.38Å; L37-L39 HydrophobicContact CB-CD1 4.09Å; L37-L39 HydrophobicContact CB-CG 4.17Å; L37-L39 HydrophobicContact CD1-CD1 4.3Å; L37-L39 HydrophobicContact CD2-CD1 3.88Å; L37-L39 HydrophobicContact CD2-CG 4.37Å; L37-L39 HydrophobicContact CG-CD1 4.31Å; L37-L39 PolarHBondContact O-N 3.18Å
38	E	42.5	Very low	56	Low	199 Å²	199	89.3 Å²	89.3	93%	0.93	49%	0.493	S	S	*	.			trans	-68.4	33.7	161.7	-86.1	-171.7	163.6	0	0	111.5	R36 A40	R36-E38 PolarHBondContact O-N 2.76Å; E38-A40 PolarHBondContact O-N 3.4Å
39	L	45.9	Very low	55	Low	99 Å²	99	86.3 Å²	86.3	52%	0.518	48%	0.483	S	S	.	.			trans	-76.2	79.4	173.4	-70.2	169.3	0	0	0	107.2	L37 T41	L37-L39 HydrophobicContact CB-CB 4.38Å; L37-L39 HydrophobicContact CB-CD1 4.09Å; L37-L39 HydrophobicContact CB-CG 4.17Å; L37-L39 HydrophobicContact CD1-CD1 4.3Å; L37-L39 HydrophobicContact CD2-CD1 3.88Å; L37-L39 HydrophobicContact CD2-CG 4.37Å; L37-L39 HydrophobicContact CG-CD1 4.31Å; L37-L39 PolarHBondContact O-N 3.18Å; L39-T41 HydrophobicContact CB-CG2 3.83Å; L39-T41 PolarHBondContact O-N 3.02Å
40	A	43.4	Very low	54.3	Low	90 Å²	90	90 Å²	90	74%	0.744	51%	0.506	S	S	*	.			trans	-58	84.6	141.6	0	0	0	0	0	105.2	E38 T42	E38-A40 PolarHBondContact O-N 3.4Å; A40-T42 VanDerWaalsContact C-N 3.31Å; A40-T42 PolarHBondContact O-N 3.13Å
41	T	47.1	Very low	53.9	Low	41 Å²	41	89 Å²	89	25%	0.252	50%	0.497	S	S	.	.			trans	-64.3	99.4	179	46.9	0	0	0	0	106.5	L39 E43 L51	L39-T41 HydrophobicContact CB-CG2 3.83Å; L39-T41 PolarHBondContact O-N 3.02Å; T41-E43 PolarHBondContact O-N 2.68Å; T41-L51 HydrophobicContact CG2-CB 4.34Å; T41-L51 HydrophobicContact CG2-CD1 3.89Å
42	T	42.5	Very low	53.8	Low	126 Å²	126	89.9 Å²	89.9	77%	0.773	50%	0.501	S	S	*	.			trans	-70.1	7.7	158	51.5	0	0	0	0	111.2	A40	A40-T42 VanDerWaalsContact C-N 3.31Å; A40-T42 PolarHBondContact O-N 3.13Å
43	E	49.8	Very low	54.1	Low	120 Å²	120	88.6 Å²	88.6	56%	0.561	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-87.1	134.3	179.9	-65.6	-179.3	177.1	0	0	110.2	T41 L51	T41-E43 PolarHBondContact O-N 2.68Å; E43-L51 HydrophobicContact CB-CD1 3.66Å; E43-L51 HydrophobicContact CB-CG 4.32Å; E43-L51 WeakPolarHBondContact O-CG 3.15Å; E43-L51 PolarHBondContact O-N 3.07Å; E43-L51 VanDerWaalsContact O-N 3.08Å
44	Y	52	Low	54.3	Low	167 Å²	167	88.2 Å²	88.2	66%	0.655	49%	0.492	S	S	*	.	B	Isolated β-bridge	trans	-97.4	138	174.4	-62.2	-92.9	0	0	0	108.2	G48 L49	Y44-G48 VanDerWaalsContact CD1-O 3.31Å; Y44-G48 WeakPolarHBondContact CD1-O 3.32Å; Y44-L49 CarbonylContact C-O 3.29Å; Y44-L49 WeakPolarHBondContact CA-O 3.23Å
45	G	56.3	Low	55.2	Low	18 Å²	18	84.8 Å²	84.8	19%	0.186	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-62.7	170.9	168.2	0	0	0	0	0	111.5	N47 G48 L49	G45-N47 PolarHBondContact O-N 3.18Å; G45-G48 PolarHBondContact O-N 2.95Å; G45-L49 PolarHBondContact N-O 3.1Å
46	P	50.2	Low	56.5	Low	137 Å²	137	84.5 Å²	84.5	89%	0.89	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.9	179.7	22.2	-32.2	0	0	0	113.6	G48	P46-G48 VanDerWaalsContact C-N 3.33Å
47	N	51	Low	58	Low	134 Å²	134	78.5 Å²	78.5	72%	0.717	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	4.2	-179.7	-54.3	3.4	0	0	0	113	G45 L49	G45-N47 PolarHBondContact O-N 3.18Å; N47-L49 PolarHBondContact O-N 2.83Å
48	G	54.8	Low	59.4	Low	50 Å²	50	74.6 Å²	74.6	52%	0.515	43%	0.427	S	S	.	.	S	Bend	trans	75.4	4.4	-177.2	0	0	0	0	0	114.9	Y44 G45 P46	Y44-G48 VanDerWaalsContact CD1-O 3.31Å; Y44-G48 WeakPolarHBondContact CD1-O 3.32Å; G45-G48 PolarHBondContact O-N 2.95Å; P46-G48 VanDerWaalsContact C-N 3.33Å
49	L	54.7	Low	61.4	Low	77 Å²	77	65.7 Å²	65.7	40%	0.403	39%	0.386	S	S	.	.	S	Bend	trans	-87.2	144.4	172.6	-66.3	172.1	0	0	0	110.1	Y44 G45 N47 P491	Y44-L49 CarbonylContact C-O 3.29Å; Y44-L49 WeakPolarHBondContact CA-O 3.23Å; G45-L49 PolarHBondContact N-O 3.1Å; N47-L49 PolarHBondContact O-N 2.83Å; L49-P491 HydrophobicContact CD1-CB 3.79Å; L49-P491 HydrophobicContact CD1-CG 4.34Å
50	P	59.5	Low	63.3	Low	85 Å²	85	61 Å²	61	55%	0.552	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-56.7	143.6	173.1	24.2	-32.3	0	0	0	110.2	T52	P50-T52 PolarHBondContact O-N 3.48Å
51	L	65.5	Low	65.1	Low	68 Å²	68	59.8 Å²	59.8	36%	0.356	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-57	133.1	174.8	-71.9	175.1	0	0	0	110.2	T41 E43 P53	T41-L51 HydrophobicContact CG2-CB 4.34Å; T41-L51 HydrophobicContact CG2-CD1 3.89Å; E43-L51 HydrophobicContact CB-CD1 3.66Å; E43-L51 HydrophobicContact CB-CG 4.32Å; E43-L51 WeakPolarHBondContact O-CG 3.15Å; E43-L51 PolarHBondContact O-N 3.07Å; E43-L51 VanDerWaalsContact O-N 3.08Å; L51-P53 WeakPolarHBondContact O-CD 3.36Å
52	T	72.6	Confident	67	Low	54 Å²	54	58 Å²	58	33%	0.331	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.5	122.8	179.2	-51.9	0	0	0	0	109.6	P50 I56 N57 P503	P50-T52 PolarHBondContact O-N 3.48Å; T52-I56 HydrophobicContact CG2-CB 3.78Å; T52-I56 HydrophobicContact CG2-CG2 3.54Å; T52-N57 WeakPolarHBondContact CG2-OD1 3.33Å; T52-P503 HydrophobicContact CG2-CG 4.31Å
53	P	74.5	Confident	69.2	Low	44 Å²	44	52.9 Å²	52.9	29%	0.286	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-58.6	146.5	-178.8	-22.3	31.1	0	0	0	111.9	L51 S55 I56 N57 E85	L51-P53 WeakPolarHBondContact O-CD 3.36Å; P53-S55 PolarHBondContact O-N 3.35Å; P53-I56 HydrophobicContact CB-CG1 4.17Å; P53-I56 HydrophobicContact CG-CG1 4.17Å; P53-I56 WeakPolarHBondContact O-CB 3.35Å; P53-I56 PolarHBondContact O-N 3.1Å; P53-N57 PolarHBondContact O-N 2.94Å; P53-N57 VanDerWaalsContact O-N 3.17Å; P53-E85 WeakPolarHBondContact CB-OE1 2.89Å; P53-E85 WeakPolarHBondContact CB-OE2 3.3Å
54	L	71.5	Confident	70.9	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-55.9	-39.8	-179.3	173.2	56.1	0	0	0	112.2	I56 N57 I58 E85 E175 F176	L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.48Å; L54-N57 WeakPolarHBondContact O-CB 3.41Å; L54-N57 PolarHBondContact O-N 3.11Å; L54-N57 VanDerWaalsContact O-N 3.17Å; L54-I58 HydrophobicContact CD1-CD1 4.12Å; L54-I58 HydrophobicContact CD1-CG1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.02Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 3.02Å; L54-E85 PolarHBondContact N-OE2 3.16Å; L54-E175 HydrophobicContact CD1-CB 3.49Å; L54-E175 VanDerWaalsContact CD1-CB 3.49Å; L54-E175 VanDerWaalsContact CD1-CD 3.45Å; L54-E175 HydrophobicContact CD1-CG 3.48Å; L54-E175 VanDerWaalsContact CD1-CG 3.48Å; L54-E175 WeakPolarHBondContact CD1-OE2 3.24Å; L54-E175 HydrophobicContact CD2-CB 3.67Å; L54-E175 HydrophobicContact CG-CB 4.21Å; L54-F176 HydrophobicContact CD2-CD2 3.95Å; L54-F176 HydrophobicContact CD2-CE2 3.64Å; L54-F176 HydrophobicContact CG-CE2 4.19Å
55	S	75.6	Confident	72.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-34.9	177.2	54	0	0	0	0	113.5	P53 I58 I59 R81 E85	P53-S55 PolarHBondContact O-N 3.35Å; S55-I58 WeakPolarHBondContact O-CB 3.24Å; S55-I58 PolarHBondContact O-N 2.76Å; S55-I59 WeakPolarHBondContact O-CD1 3.35Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.31Å; S55-I59 PolarHBondContact O-N 3.47Å; S55-R81 WeakPolarHBondContact OG-CD 3.4Å; S55-R81 PolarHBondContact OG-NE 3.43Å; S55-E85 WeakPolarHBondContact CB-OE2 3.27Å; S55-E85 PolarHBondContact N-OE2 2.92Å; S55-E85 PolarHBondContact OG-OE1 3.28Å; S55-E85 PolarHBondContact OG-OE2 3.17Å
56	I	82.7	Confident	73.9	Confident	9 Å²	9	45.5 Å²	45.5	5%	0.046	26%	0.264	C	S	.	.	H	α-helix	trans	-70	-40.3	174.9	-60.2	-60.1	0	0	0	110.7	T52 P53 L54 I58 I59 G60 E498 S502	T52-I56 HydrophobicContact CG2-CB 3.78Å; T52-I56 HydrophobicContact CG2-CG2 3.54Å; P53-I56 HydrophobicContact CB-CG1 4.17Å; P53-I56 HydrophobicContact CG-CG1 4.17Å; P53-I56 WeakPolarHBondContact O-CB 3.35Å; P53-I56 PolarHBondContact O-N 3.1Å; L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.48Å; I56-I58 VanDerWaalsContact C-N 3.25Å; I56-I58 PolarHBondContact O-N 2.8Å; I56-I59 HydrophobicContact CD1-CD1 4.43Å; I56-I59 PolarHBondContact O-N 2.79Å; I56-G60 PolarHBondContact O-N 2.94Å; I56-E498 HydrophobicContact CD1-CB 3.65Å; I56-E498 HydrophobicContact CD1-CG 3.76Å; I56-S502 WeakPolarHBondContact O-CB 3.41Å
57	N	78.7	Confident	75.6	Confident	26 Å²	26	41.8 Å²	41.8	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-39.8	173.4	-67	-22.7	0	0	0	111.8	T52 P53 L54 R61 P503	T52-N57 WeakPolarHBondContact CG2-OD1 3.33Å; P53-N57 PolarHBondContact O-N 2.94Å; P53-N57 VanDerWaalsContact O-N 3.17Å; L54-N57 WeakPolarHBondContact O-CB 3.41Å; L54-N57 PolarHBondContact O-N 3.11Å; L54-N57 VanDerWaalsContact O-N 3.17Å; N57-R61 WeakPolarHBondContact O-CG 3.44Å; N57-R61 PolarHBondContact O-N 2.84Å; N57-P503 WeakPolarHBondContact OD1-CD 3.11Å; N57-P503 WeakPolarHBondContact OD1-CG 3.29Å
58	I	76.5	Confident	77.2	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-46.2	177	-75.8	171.1	0	0	0	111.3	L54 S55 I56 G60 R61 F62 I79 I87 I173 F176	L54-I58 HydrophobicContact CD1-CD1 4.12Å; L54-I58 HydrophobicContact CD1-CG1 4.26Å; L54-I58 HydrophobicContact CG-CD1 4.02Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 3.02Å; S55-I58 WeakPolarHBondContact O-CB 3.24Å; S55-I58 PolarHBondContact O-N 2.76Å; I56-I58 VanDerWaalsContact C-N 3.25Å; I56-I58 PolarHBondContact O-N 2.8Å; I58-G60 VanDerWaalsContact C-N 3.3Å; I58-G60 PolarHBondContact O-N 3.2Å; I58-R61 PolarHBondContact O-N 2.94Å; I58-F62 PolarHBondContact O-N 2.81Å; I58-I79 HydrophobicContact CG2-CD1 3.86Å; I58-I87 HydrophobicContact CB-CD1 3.84Å; I58-I87 HydrophobicContact CD1-CD1 3.68Å; I58-I87 HydrophobicContact CG1-CD1 4.36Å; I58-I87 HydrophobicContact CG2-CD1 3.58Å; I58-I173 HydrophobicContact CB-CG2 4.33Å; I58-I173 HydrophobicContact CD1-CG2 4.35Å; I58-I173 HydrophobicContact CG1-CG2 4.29Å; I58-I173 HydrophobicContact CG2-CB 3.98Å; I58-I173 HydrophobicContact CG2-CG1 4.05Å; I58-I173 HydrophobicContact CG2-CG2 3.21Å; I58-F176 HydrophobicContact CD1-CD2 4.16Å; I58-F176 HydrophobicContact CD1-CE2 3.43Å; I58-F176 VanDerWaalsContact CD1-CE2 3.43Å; I58-F176 HydrophobicContact CD1-CZ 4.25Å
59	I	84.4	Confident	78.6	Confident	13 Å²	13	38.5 Å²	38.5	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-40.9	178.8	-70.9	161.8	0	0	0	110.8	S55 I56 R61 F62 P63 I79 R81 E498 L499	S55-I59 WeakPolarHBondContact O-CD1 3.35Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.31Å; S55-I59 PolarHBondContact O-N 3.47Å; I56-I59 HydrophobicContact CD1-CD1 4.43Å; I56-I59 PolarHBondContact O-N 2.79Å; I59-R61 PolarHBondContact O-N 3.4Å; I59-F62 PolarHBondContact O-N 3.42Å; I59-P63 WeakPolarHBondContact O-CD 3.49Å; I59-I79 HydrophobicContact CG1-CD1 4.18Å; I59-I79 HydrophobicContact CG1-CG1 4.45Å; I59-I79 HydrophobicContact CG1-CG2 4.4Å; I59-R81 HydrophobicContact CD1-CB 3.76Å; I59-R81 HydrophobicContact CD1-CG 4.27Å; I59-E498 HydrophobicContact CD1-CB 4.1Å; I59-E498 HydrophobicContact CG2-CB 4.26Å; I59-L499 HydrophobicContact CG2-CB 4.45Å
60	G	85.2	Confident	80.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-24.2	173.7	0	0	0	0	0	115.2	I56 I58 S502 T504 F541	I56-G60 PolarHBondContact O-N 2.94Å; I58-G60 VanDerWaalsContact C-N 3.3Å; I58-G60 PolarHBondContact O-N 3.2Å; G60-S502 VanDerWaalsContact CA-CB 3.44Å; G60-S502 WeakPolarHBondContact CA-OG 3.3Å; G60-T504 WeakPolarHBondContact O-CG2 3.49Å; G60-F541 WeakPolarHBondContact O-CE1 3.45Å; G60-F541 WeakPolarHBondContact O-CZ 3.31Å
61	R	81.7	Confident	81.3	Confident	64 Å²	64	35.5 Å²	35.5	24%	0.242	21%	0.208	C	C	.	.	H	α-helix	trans	-98.5	-24.2	-178.3	-72.1	177.1	-174.1	179.3	4.3	113.2	N57 I58 I59 P63 T64 L171	N57-R61 WeakPolarHBondContact O-CG 3.44Å; N57-R61 PolarHBondContact O-N 2.84Å; I58-R61 PolarHBondContact O-N 2.94Å; I59-R61 PolarHBondContact O-N 3.4Å; R61-P63 VanDerWaalsContact C-CD 3.41Å; R61-T64 PolarHBondContact O-N 3Å; R61-L171 HydrophobicContact CB-CD2 3.99Å; R61-L171 VanDerWaalsContact O-CD2 3.24Å; R61-L171 WeakPolarHBondContact O-CD2 3.49Å
62	F	87.4	Confident	82.5	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-55	-37.9	-178.1	-179	-100.1	0	0	0	114.8	I58 I59 T64 L65 K66 Y76 D78 I79 V89 I173	I58-F62 PolarHBondContact O-N 2.81Å; I59-F62 PolarHBondContact O-N 3.42Å; F62-T64 PolarHBondContact O-N 2.8Å; F62-T64 VanDerWaalsContact O-N 3.1Å; F62-L65 PolarHBondContact O-N 3.46Å; F62-K66 HydrophobicContact CD1-CB 4.26Å; F62-K66 HydrophobicContact CD1-CD 4.47Å; F62-K66 HydrophobicContact CE1-CB 3.94Å; F62-K66 HydrophobicContact CE1-CD 3.87Å; F62-K66 HydrophobicContact CE1-CG 4.35Å; F62-K66 HydrophobicContact CZ-CB 4.39Å; F62-K66 PolarHBondContact O-N 3.34Å; F62-Y76 HydrophobicContact CE2-CD1 4.36Å; F62-Y76 HydrophobicContact CE2-CG 4.1Å; F62-Y76 HydrophobicContact CZ-CG 4.48Å; F62-D78 WeakPolarHBondContact CZ-O 3.47Å; F62-I79 HydrophobicContact CB-CB 4.43Å; F62-I79 HydrophobicContact CB-CD1 3.87Å; F62-I79 HydrophobicContact CB-CG2 3.93Å; F62-I79 HydrophobicContact CD1-CB 3.65Å; F62-I79 HydrophobicContact CD1-CG2 3.25Å; F62-I79 HydrophobicContact CD2-CB 3.82Å; F62-I79 HydrophobicContact CD2-CD1 3.68Å; F62-I79 HydrophobicContact CD2-CG1 4.28Å; F62-I79 HydrophobicContact CD2-CG2 4.18Å; F62-I79 HydrophobicContact CE1-CB 3.68Å; F62-I79 HydrophobicContact CE1-CG2 3.69Å; F62-I79 HydrophobicContact CE2-CB 3.94Å; F62-I79 HydrophobicContact CE2-CD1 4.4Å; F62-I79 HydrophobicContact CG-CB 3.71Å; F62-I79 HydrophobicContact CG-CD1 3.82Å; F62-I79 HydrophobicContact CG-CG1 4.38Å; F62-I79 HydrophobicContact CG-CG2 3.53Å; F62-I79 HydrophobicContact CZ-CB 3.85Å; F62-I79 HydrophobicContact CZ-CG2 4.37Å; F62-V89 HydrophobicContact CE2-CG1 4Å; F62-I173 HydrophobicContact CB-CD1 4.35Å; F62-I173 HydrophobicContact CD2-CD1 3.5Å; F62-I173 HydrophobicContact CE2-CD1 4.29Å; F62-I173 HydrophobicContact CG-CD1 4.4Å
63	P	88.4	Confident	83.3	Confident	17 Å²	17	32.5 Å²	32.5	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-52	-36.4	179	-33.4	38.5	0	0	0	114.1	I59 R61 L65 K66 A67 L499 F541 N542	I59-P63 WeakPolarHBondContact O-CD 3.49Å; R61-P63 VanDerWaalsContact C-CD 3.41Å; P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.15Å; P63-K66 PolarHBondContact O-N 3.3Å; P63-A67 PolarHBondContact O-N 3.2Å; P63-L499 HydrophobicContact CG-CD1 3.84Å; P63-F541 HydrophobicContact CB-CB 4.5Å; P63-F541 HydrophobicContact CB-CD1 3.52Å; P63-F541 HydrophobicContact CB-CE1 4.12Å; P63-F541 HydrophobicContact CB-CG 4.32Å; P63-F541 HydrophobicContact CG-CD1 3.52Å; P63-F541 HydrophobicContact CG-CE1 3.82Å; P63-F541 HydrophobicContact CG-CG 4.16Å; P63-N542 VanDerWaalsContact C-ND2 3.31Å; P63-N542 VanDerWaalsContact CB-OD1 3.25Å; P63-N542 WeakPolarHBondContact CB-OD1 3.46Å; P63-N542 PolarHBondContact O-ND2 2.74Å
64	T	84.8	Confident	83.9	Confident	51 Å²	51	30.4 Å²	30.4	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-67.4	-34.7	178.7	-46.6	0	0	0	0	112.2	R61 F62 A67 L171 N542	R61-T64 PolarHBondContact O-N 3Å; F62-T64 PolarHBondContact O-N 2.8Å; F62-T64 VanDerWaalsContact O-N 3.1Å; T64-A67 PolarHBondContact O-N 2.98Å; T64-L171 HydrophobicContact CG2-CD1 3.36Å; T64-L171 HydrophobicContact CG2-CD2 4.2Å; T64-L171 HydrophobicContact CG2-CG 4.41Å; T64-N542 PolarHBondContact N-OD1 3.15Å
65	L	84.4	Confident	84.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-75.5	-35.6	176.5	-73.8	169.2	0	0	0	112	F62 P63 A67 L68 Y76 I132 Y156 I173	F62-L65 PolarHBondContact O-N 3.46Å; P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 3.15Å; L65-A67 PolarHBondContact O-N 3.34Å; L65-L68 HydrophobicContact CD2-CD1 4.06Å; L65-L68 WeakPolarHBondContact O-CB 3.49Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-Y76 HydrophobicContact CB-CD2 3.81Å; L65-Y76 HydrophobicContact CB-CE2 4.16Å; L65-Y76 HydrophobicContact CD2-CE2 4.49Å; L65-I132 HydrophobicContact CD2-CD1 3.91Å; L65-Y156 HydrophobicContact CD2-CD2 4.1Å; L65-Y156 HydrophobicContact CD2-CE2 3.92Å; L65-I173 HydrophobicContact CB-CD1 4.47Å; L65-I173 HydrophobicContact CD1-CB 4.41Å; L65-I173 HydrophobicContact CD1-CD1 3.15Å; L65-I173 HydrophobicContact CD1-CG1 3.52Å; L65-I173 HydrophobicContact CG-CD1 4.39Å
66	K	87.1	Confident	85.1	Confident	99 Å²	99	31.3 Å²	31.3	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-26.6	171.2	-175.1	170.7	-179.8	159.1	0	112.8	F62 P63 L68 L77 D78	F62-K66 HydrophobicContact CD1-CB 4.26Å; F62-K66 HydrophobicContact CD1-CD 4.47Å; F62-K66 HydrophobicContact CE1-CB 3.94Å; F62-K66 HydrophobicContact CE1-CD 3.87Å; F62-K66 HydrophobicContact CE1-CG 4.35Å; F62-K66 HydrophobicContact CZ-CB 4.39Å; F62-K66 PolarHBondContact O-N 3.34Å; P63-K66 PolarHBondContact O-N 3.3Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.5Å; K66-L77 WeakPolarHBondContact CE-O 3.46Å; K66-L77 PolarHBondContact NZ-O 3.48Å; K66-D78 IonicContact NZ-OD1 2.77Å; K66-D78 PolarHBondContact NZ-OD1 3.33Å
67	A	85.8	Confident	85.1	Confident	60 Å²	60	33.1 Å²	33.1	50%	0.496	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.5	177.3	0	0	0	0	0	114.2	P63 T64 L65	P63-A67 PolarHBondContact O-N 3.2Å; T64-A67 PolarHBondContact O-N 2.98Å; L65-A67 PolarHBondContact O-N 3.34Å
68	L	84.9	Confident	85.4	Confident	15 Å²	15	34.6 Å²	34.6	8%	0.079	20%	0.2	C	C	.	.			trans	-72.4	131.3	178	-59.6	-172.2	0	0	0	110.5	L65 K66 L73 Y126 L127 I132 Y156	L65-L68 HydrophobicContact CD2-CD1 4.06Å; L65-L68 WeakPolarHBondContact O-CB 3.49Å; L65-L68 PolarHBondContact O-N 3.45Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.5Å; L68-L73 HydrophobicContact CD1-CD1 4.49Å; L68-Y126 HydrophobicContact CB-CE1 4.27Å; L68-Y126 HydrophobicContact CD2-CE1 4.18Å; L68-L127 HydrophobicContact CD1-CD2 3.83Å; L68-I132 HydrophobicContact CD1-CD1 3.73Å; L68-I132 HydrophobicContact CD2-CD1 4.39Å; L68-Y156 HydrophobicContact CD1-CD2 4.41Å; L68-Y156 HydrophobicContact CD1-CE2 3.69Å
69	S	84.5	Confident	85.8	Confident	100 Å²	100	35.3 Å²	35.3	70%	0.699	20%	0.204	S	C	*	.			trans	-138.2	110.9	178.8	175	0	0	0	0	109	Y126	S69-Y126 PolarHBondContact N-OH 3.42Å; S69-Y126 PolarHBondContact O-OH 3.49Å
70	S	86.8	Confident	85.9	Confident	18 Å²	18	39.3 Å²	39.3	13%	0.126	22%	0.222	C	C	.	.			trans	-149.8	140.2	179.2	174.3	0	0	0	0	109.4	Y72 L73	S70-Y72 PolarHBondContact O-N 2.99Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; S70-Y72 PolarHBondContact OG-N 3.38Å; S70-L73 PolarHBondContact O-N 3.14Å
71	P	84.7	Confident	85.8	Confident	80 Å²	80	43.3 Å²	43.3	52%	0.519	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.7	175.3	28.6	-35.6	0	0	0	113.6	R152	P71-R152 WeakPolarHBondContact O-CG 3.49Å; P71-R152 PolarHBondContact O-NE 2.83Å; P71-R152 VanDerWaalsContact O-NE 3.11Å
72	Y	89.8	Confident	85.6	Confident	56 Å²	56	41.2 Å²	41.2	22%	0.22	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.5	180	-50.2	-66.4	0	0	0	113.3	S70 F118 C122 R152 L153	S70-Y72 PolarHBondContact O-N 2.99Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; S70-Y72 PolarHBondContact OG-N 3.38Å; Y72-F118 HydrophobicContact CE1-CE1 4.5Å; Y72-C122 HydrophobicContact CD1-CB 4.33Å; Y72-C122 HydrophobicContact CD2-CB 3.38Å; Y72-C122 HydrophobicContact CE1-CB 4.35Å; Y72-C122 HydrophobicContact CE2-CB 3.4Å; Y72-C122 HydrophobicContact CG-CB 3.87Å; Y72-R152 WeakPolarHBondContact O-CA 3.48Å; Y72-L153 PolarHBondContact O-N 3.2Å
73	L	89.5	Confident	85.1	Confident	3 Å²	3	49 Å²	49	2%	0.016	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-122.9	144.7	177.3	-60.5	-178.2	0	0	0	109.4	L68 S70 A75 Y126 L127 L153 Y156	L68-L73 HydrophobicContact CD1-CD1 4.49Å; S70-L73 PolarHBondContact O-N 3.14Å; L73-A75 PolarHBondContact O-N 3.28Å; L73-Y126 HydrophobicContact CD1-CD1 3.63Å; L73-Y126 HydrophobicContact CD1-CE1 3.87Å; L73-L127 HydrophobicContact CD1-CD2 3.78Å; L73-L127 HydrophobicContact CD1-CG 4.24Å; L73-L127 HydrophobicContact CD2-CD1 3.99Å; L73-L127 HydrophobicContact CD2-CD2 4.3Å; L73-L127 HydrophobicContact CD2-CG 4.07Å; L73-L153 HydrophobicContact CD2-CB 3.8Å; L73-L153 HydrophobicContact CD2-CD1 4.1Å; L73-L153 HydrophobicContact CD2-CG 4.16Å; L73-Y156 HydrophobicContact CB-CE1 4.01Å; L73-Y156 HydrophobicContact CD1-CE1 4.36Å; L73-Y156 HydrophobicContact CD2-CD1 4.21Å; L73-Y156 HydrophobicContact CD2-CE1 4.26Å; L73-Y156 HydrophobicContact CG-CE1 4.44Å
74	C	88.2	Confident	84.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.5	117.2	165	-63.5	0	0	0	0	108.1	Y76 E92 L143 L153 L154 Y156	C74-Y76 PolarHBondContact O-N 3.14Å; C74-E92 HydrophobicContact CB-CB 4.41Å; C74-E92 WeakPolarHBondContact CB-O 3.37Å; C74-L143 VanDerWaalsContact SG-CD1 3.59Å; C74-L153 PolarHBondContact N-O 2.91Å; C74-L154 HydrophobicContact CB-CB 4.31Å; C74-L154 HydrophobicContact CB-CD1 3.87Å; C74-Y156 WeakPolarHBondContact O-CE1 3.25Å; C74-Y156 PolarHBondContact O-OH 2.76Å
75	A	87.7	Confident	83.5	Confident	33 Å²	33	57.6 Å²	57.6	27%	0.273	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-65	133.8	-175.8	0	0	0	0	0	111.7	L73 L77 S91 E92	L73-A75 PolarHBondContact O-N 3.28Å; A75-L77 HydrophobicContact CB-CD2 4.31Å; A75-S91 CarbonylContact O-C 3.53Å; A75-S91 WeakPolarHBondContact O-CA 3.42Å; A75-E92 HydrophobicContact CB-CB 4.48Å; A75-E92 PolarHBondContact N-OE2 2.96Å; A75-E92 PolarHBondContact O-N 2.93Å
76	Y	84.2	Confident	82.9	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.8	165.4	-71.8	-55.4	0	0	0	109.8	F62 L65 C74 V89 A155 Y156 F158	F62-Y76 HydrophobicContact CE2-CD1 4.36Å; F62-Y76 HydrophobicContact CE2-CG 4.1Å; F62-Y76 HydrophobicContact CZ-CG 4.48Å; L65-Y76 HydrophobicContact CB-CD2 3.81Å; L65-Y76 HydrophobicContact CB-CE2 4.16Å; L65-Y76 HydrophobicContact CD2-CE2 4.49Å; C74-Y76 PolarHBondContact O-N 3.14Å; Y76-V89 HydrophobicContact CD1-CG1 3.51Å; Y76-V89 HydrophobicContact CE1-CG1 3.64Å; Y76-A155 WeakPolarHBondContact OH-CA 3.33Å; Y76-Y156 HydrophobicContact CD2-CE1 4.46Å; Y76-Y156 AromaticContact CD2-CE2 3.64Å; Y76-Y156 HydrophobicContact CD2-CE2 3.64Å; Y76-Y156 AromaticContact CD2-CZ 3.57Å; Y76-Y156 WeakPolarHBondContact CD2-OH 3.23Å; Y76-Y156 HydrophobicContact CE2-CD1 4.44Å; Y76-Y156 AromaticContact CE2-CD2 3.68Å; Y76-Y156 HydrophobicContact CE2-CD2 3.68Å; Y76-Y156 HydrophobicContact CE2-CE1 4Å; Y76-Y156 AromaticContact CE2-CE2 3.15Å; Y76-Y156 HydrophobicContact CE2-CE2 3.15Å; Y76-Y156 HydrophobicContact CE2-CG 4.3Å; Y76-Y156 AromaticContact CE2-CZ 3.34Å; Y76-Y156 PolarHBondContact OH-N 3.44Å; Y76-Y156 PolarHBondContact OH-O 3.01Å; Y76-F158 AromaticContact CE1-CE1 3.73Å; Y76-F158 HydrophobicContact CE1-CE1 3.73Å; Y76-F158 AromaticContact CE1-CZ 3.96Å; Y76-F158 HydrophobicContact CE1-CZ 3.96Å; Y76-F158 AromaticContact CZ-CE1 3.6Å; Y76-F158 WeakPolarHBondContact OH-CD1 3.48Å; Y76-F158 WeakPolarHBondContact OH-CE1 3.37Å
77	L	82.8	Confident	82.3	Confident	48 Å²	48	58.4 Å²	58.4	25%	0.251	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-46.3	-172.7	-56.2	177.6	0	0	0	111	F28 K66 A75 I90	F28-L77 HydrophobicContact CD1-CD1 3.53Å; F28-L77 HydrophobicContact CE1-CD1 3.59Å; K66-L77 WeakPolarHBondContact CE-O 3.46Å; K66-L77 PolarHBondContact NZ-O 3.48Å; A75-L77 HydrophobicContact CB-CD2 4.31Å; L77-I90 HydrophobicContact CB-CG2 4.19Å; L77-I90 HydrophobicContact CD1-CG2 4.42Å; L77-I90 PolarHBondContact N-O 3.3Å
78	D	85	Confident	81.9	Confident	56 Å²	56	58.7 Å²	58.7	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	166.2	179.1	-149.7	14.8	0	0	0	113.8	F62 K66 H80 I90	F62-D78 WeakPolarHBondContact CZ-O 3.47Å; K66-D78 IonicContact NZ-OD1 2.77Å; K66-D78 PolarHBondContact NZ-OD1 3.33Å; D78-H80 IonicContact OD2-CE1 3.86Å; D78-H80 PolarHBondContact OD2-CE1 3.39Å; D78-H80 IonicContact OD2-ND1 3.49Å; D78-H80 IonicContact OD2-NE2 2.74Å; D78-I90 HydrophobicContact CB-CB 4.23Å; D78-I90 HydrophobicContact CB-CD1 4.08Å; D78-I90 PolarHBondContact N-O 3.08Å; D78-I90 VanDerWaalsContact N-O 3.15Å; D78-I90 PolarHBondContact O-N 3.5Å
79	I	85	Confident	81.7	Confident	18 Å²	18	58 Å²	58	9%	0.092	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.1	175.3	-167	168.1	0	0	0	110	I58 I59 F62 I87 F88 V89	I58-I79 HydrophobicContact CG2-CD1 3.86Å; I59-I79 HydrophobicContact CG1-CD1 4.18Å; I59-I79 HydrophobicContact CG1-CG1 4.45Å; I59-I79 HydrophobicContact CG1-CG2 4.4Å; F62-I79 HydrophobicContact CB-CB 4.43Å; F62-I79 HydrophobicContact CB-CD1 3.87Å; F62-I79 HydrophobicContact CB-CG2 3.93Å; F62-I79 HydrophobicContact CD1-CB 3.65Å; F62-I79 HydrophobicContact CD1-CG2 3.25Å; F62-I79 HydrophobicContact CD2-CB 3.82Å; F62-I79 HydrophobicContact CD2-CD1 3.68Å; F62-I79 HydrophobicContact CD2-CG1 4.28Å; F62-I79 HydrophobicContact CD2-CG2 4.18Å; F62-I79 HydrophobicContact CE1-CB 3.68Å; F62-I79 HydrophobicContact CE1-CG2 3.69Å; F62-I79 HydrophobicContact CE2-CB 3.94Å; F62-I79 HydrophobicContact CE2-CD1 4.4Å; F62-I79 HydrophobicContact CG-CB 3.71Å; F62-I79 HydrophobicContact CG-CD1 3.82Å; F62-I79 HydrophobicContact CG-CG1 4.38Å; F62-I79 HydrophobicContact CG-CG2 3.53Å; F62-I79 HydrophobicContact CZ-CB 3.85Å; F62-I79 HydrophobicContact CZ-CG2 4.37Å; I79-I87 HydrophobicContact CD1-CG2 3.59Å; I79-I87 HydrophobicContact CG1-CG2 3.52Å; I79-F88 CarbonylContact C-O 3.55Å; I79-F88 WeakPolarHBondContact CA-O 3.35Å; I79-V89 HydrophobicContact CD1-CG2 4.39Å; I79-V89 HydrophobicContact CG1-CG2 4.37Å
80	H	85.2	Confident	81.6	Confident	97 Å²	97	54.9 Å²	54.9	45%	0.449	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.6	177	-72.7	-26.8	0	0	0	111.4	D78 I87 F88	D78-H80 IonicContact OD2-CE1 3.86Å; D78-H80 PolarHBondContact OD2-CE1 3.39Å; D78-H80 IonicContact OD2-ND1 3.49Å; D78-H80 IonicContact OD2-NE2 2.74Å; H80-I87 CarbonylContact O-C 3.45Å; H80-I87 WeakPolarHBondContact O-CA 3.34Å; H80-F88 HydrophobicContact CB-CB 4.41Å; H80-F88 PolarHBondContact N-O 3.42Å; H80-F88 PolarHBondContact O-N 3.3Å
81	R	83.4	Confident	81.4	Confident	84 Å²	84	54.1 Å²	54.1	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.3	169.9	-164	158	165.6	-103	2.8	110.5	S55 I59 E85 E498	S55-R81 WeakPolarHBondContact OG-CD 3.4Å; S55-R81 PolarHBondContact OG-NE 3.43Å; I59-R81 HydrophobicContact CD1-CB 3.76Å; I59-R81 HydrophobicContact CD1-CG 4.27Å; R81-E85 IonicContact CZ-OE1 2.82Å; R81-E85 IonicContact NE-OE1 3.12Å; R81-E85 IonicContact NH2-OE1 3.01Å; R81-E85 PolarHBondContact NH2-OE1 3.14Å; R81-E498 VanDerWaalsContact CB-OE1 3.32Å; R81-E498 WeakPolarHBondContact CB-OE1 3.19Å; R81-E498 WeakPolarHBondContact CB-OE2 3.29Å; R81-E498 VanDerWaalsContact CD-OE1 3.27Å; R81-E498 WeakPolarHBondContact CD-OE1 3.31Å; R81-E498 IonicContact NH1-OE1 3.07Å; R81-E498 PolarHBondContact NH1-OE1 3.34Å
82	G	78.1	Confident	81.3	Confident	20 Å²	20	51.1 Å²	51.1	21%	0.206	23%	0.232	C	C	.	.			trans	-98.2	-176.8	168.7	0	0	0	0	0	112	R86	G82-R86 WeakPolarHBondContact CA-O 3.1Å; G82-R86 PolarHBondContact N-O 2.86Å
83	K	76.5	Confident	81	Confident	168 Å²	168	51.3 Å²	51.3	73%	0.73	24%	0.235	S	C	*	.	S	Bend	trans	-66.5	150.8	171.4	-61	-177.2	179.6	-178.3	0	110.6	R86	K83-R86 VanDerWaalsContact O-CB 3.3Å; K83-R86 WeakPolarHBondContact O-CB 3.45Å; K83-R86 PolarHBondContact O-N 3.22Å
84	Y	70.7	Confident	80.8	Confident	214 Å²	214	51.2 Å²	51.2	84%	0.839	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	49.3	172.6	-44.2	-73.1	0	0	0	114.6	R86	Y84-R86 PolarHBondContact O-N 2.81Å
85	E	69.8	Low	80.5	Confident	35 Å²	35	55 Å²	55	16%	0.164	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	24.2	179.3	-62.6	-62.1	108.6	0	0	114.1	P53 L54 S55 R81	P53-E85 WeakPolarHBondContact CB-OE1 2.89Å; P53-E85 WeakPolarHBondContact CB-OE2 3.3Å; L54-E85 PolarHBondContact N-OE2 3.16Å; S55-E85 WeakPolarHBondContact CB-OE2 3.27Å; S55-E85 PolarHBondContact N-OE2 2.92Å; S55-E85 PolarHBondContact OG-OE1 3.28Å; S55-E85 PolarHBondContact OG-OE2 3.17Å; R81-E85 IonicContact CZ-OE1 2.82Å; R81-E85 IonicContact NE-OE1 3.12Å; R81-E85 IonicContact NH2-OE1 3.01Å; R81-E85 PolarHBondContact NH2-OE1 3.14Å
86	R	70.5	Confident	80.5	Confident	116 Å²	116	57.7 Å²	57.7	44%	0.438	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.1	173	-176.4	174.2	-68.7	-175	0.6	109.2	T32 L33 V34 G82 K83 Y84 F88	T32-R86 HydrophobicContact CG2-CG 3.53Å; L33-R86 CarbonylContact O-C 3.34Å; L33-R86 WeakPolarHBondContact O-CA 3.4Å; V34-R86 HydrophobicContact CG2-CB 4.33Å; V34-R86 HydrophobicContact CG2-CG 3.98Å; G82-R86 WeakPolarHBondContact CA-O 3.1Å; G82-R86 PolarHBondContact N-O 2.86Å; K83-R86 VanDerWaalsContact O-CB 3.3Å; K83-R86 WeakPolarHBondContact O-CB 3.45Å; K83-R86 PolarHBondContact O-N 3.22Å; Y84-R86 PolarHBondContact O-N 2.81Å; R86-F88 VanDerWaalsContact CD-CZ 3.45Å; R86-F88 HydrophobicContact CG-CE1 4.44Å; R86-F88 HydrophobicContact CG-CE2 4.09Å; R86-F88 HydrophobicContact CG-CZ 3.97Å
87	I	75.6	Confident	80.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.6	177.9	-62.5	171.6	0	0	0	108.1	T32 L33 I58 I79 H80 V89	T32-I87 CarbonylContact C-O 3.49Å; T32-I87 WeakPolarHBondContact CA-O 3.49Å; L33-I87 HydrophobicContact CB-CB 4.32Å; L33-I87 PolarHBondContact N-O 2.76Å; L33-I87 PolarHBondContact O-N 2.97Å; I58-I87 HydrophobicContact CB-CD1 3.84Å; I58-I87 HydrophobicContact CD1-CD1 3.68Å; I58-I87 HydrophobicContact CG1-CD1 4.36Å; I58-I87 HydrophobicContact CG2-CD1 3.58Å; I79-I87 HydrophobicContact CD1-CG2 3.59Å; I79-I87 HydrophobicContact CG1-CG2 3.52Å; H80-I87 CarbonylContact O-C 3.45Å; H80-I87 WeakPolarHBondContact O-CA 3.34Å; I87-V89 HydrophobicContact CG2-CG2 4.07Å
88	F	77.8	Confident	81	Confident	66 Å²	66	56.8 Å²	56.8	29%	0.289	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.3	171.7	-57.5	-85.3	0	0	0	108.1	V30 S31 T32 I79 H80 R86	V30-F88 HydrophobicContact CG1-CB 4.33Å; V30-F88 HydrophobicContact CG1-CD1 4.27Å; S31-F88 WeakPolarHBondContact O-CA 3.49Å; T32-F88 HydrophobicContact CG2-CD1 4.19Å; T32-F88 HydrophobicContact CG2-CE1 3.97Å; T32-F88 WeakPolarHBondContact OG1-CD1 3.41Å; I79-F88 CarbonylContact C-O 3.55Å; I79-F88 WeakPolarHBondContact CA-O 3.35Å; H80-F88 HydrophobicContact CB-CB 4.41Å; H80-F88 PolarHBondContact N-O 3.42Å; H80-F88 PolarHBondContact O-N 3.3Å; R86-F88 VanDerWaalsContact CD-CZ 3.45Å; R86-F88 HydrophobicContact CG-CE1 4.44Å; R86-F88 HydrophobicContact CG-CE2 4.09Å; R86-F88 HydrophobicContact CG-CZ 3.97Å
89	V	79.7	Confident	81.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.9	175.2	-178.6	0	0	0	0	107.9	V30 S31 L33 F62 Y76 I79 I87 F158	V30-V89 WeakPolarHBondContact CA-O 3.39Å; S31-V89 PolarHBondContact N-O 3.16Å; S31-V89 PolarHBondContact O-N 3.09Å; L33-V89 HydrophobicContact CD1-CG2 3.88Å; F62-V89 HydrophobicContact CE2-CG1 4Å; Y76-V89 HydrophobicContact CD1-CG1 3.51Å; Y76-V89 HydrophobicContact CE1-CG1 3.64Å; I79-V89 HydrophobicContact CD1-CG2 4.39Å; I79-V89 HydrophobicContact CG1-CG2 4.37Å; I87-V89 HydrophobicContact CG2-CG2 4.07Å; V89-F158 HydrophobicContact CB-CZ 4.08Å; V89-F158 HydrophobicContact CG1-CE1 4.34Å; V89-F158 HydrophobicContact CG1-CZ 3.99Å; V89-F158 HydrophobicContact CG2-CZ 4.21Å
90	I	82.7	Confident	81.1	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.185	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.8	178.3	-57.2	165.5	0	0	0	107.5	F28 G29 V30 L77 D78	F28-I90 HydrophobicContact CD1-CG2 4.21Å; G29-I90 WeakPolarHBondContact O-CA 3.35Å; V30-I90 HydrophobicContact CG2-CG1 4.37Å; L77-I90 HydrophobicContact CB-CG2 4.19Å; L77-I90 HydrophobicContact CD1-CG2 4.42Å; L77-I90 PolarHBondContact N-O 3.3Å; D78-I90 HydrophobicContact CB-CB 4.23Å; D78-I90 HydrophobicContact CB-CD1 4.08Å; D78-I90 PolarHBondContact N-O 3.08Å; D78-I90 VanDerWaalsContact N-O 3.15Å; D78-I90 PolarHBondContact O-N 3.5Å
91	S	82.1	Confident	81.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.1	-174.9	48.9	0	0	0	0	111.1	G29 A75 L154	G29-S91 PolarHBondContact N-O 2.98Å; G29-S91 PolarHBondContact O-N 3.24Å; G29-S91 PolarHBondContact O-OG 3.33Å; A75-S91 CarbonylContact O-C 3.53Å; A75-S91 WeakPolarHBondContact O-CA 3.42Å; S91-L154 WeakPolarHBondContact OG-CD1 3.38Å
92	E	83.6	Confident	81.2	Confident	17 Å²	17	49.5 Å²	49.5	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	141.7	160	-176.7	-178.1	-147.7	0	0	109.5	L23 C74 A75 Y94 R152	L23-E92 HydrophobicContact CD2-CG 4.49Å; C74-E92 HydrophobicContact CB-CB 4.41Å; C74-E92 WeakPolarHBondContact CB-O 3.37Å; A75-E92 HydrophobicContact CB-CB 4.48Å; A75-E92 PolarHBondContact N-OE2 2.96Å; A75-E92 PolarHBondContact O-N 2.93Å; E92-Y94 HydrophobicContact CG-CE2 3.86Å; E92-Y94 PolarHBondContact OE1-OH 3.44Å; E92-R152 IonicContact OE1-CZ 2.99Å; E92-R152 IonicContact OE1-NH1 3.22Å; E92-R152 PolarHBondContact OE1-NH1 3.4Å; E92-R152 IonicContact OE2-NH1 2.68Å; E92-R152 PolarHBondContact OE2-NH1 3.13Å
93	H	83.7	Confident	81.5	Confident	60 Å²	60	56.9 Å²	56.9	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.4	-176.9	-170.8	-87.8	0	0	0	111	H27 L143	H27-H93 WeakPolarHBondContact CA-O 3.27Å; H27-H93 PolarHBondContact N-O 3.38Å; H27-H93 PolarHBondContact O-N 2.79Å; H93-L143 HydrophobicContact CB-CD1 4.42Å
94	Y	84.3	Confident	81.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	24%	0.239	C	C	.	.			trans	-128	149.1	176.4	-63.7	-93.3	0	0	0	110.3	E92 K96 L143 L144 R152	E92-Y94 HydrophobicContact CG-CE2 3.86Å; E92-Y94 PolarHBondContact OE1-OH 3.44Å; Y94-K96 VanDerWaalsContact C-N 3.3Å; Y94-K96 PolarHBondContact O-N 2.9Å; Y94-L143 HydrophobicContact CD2-CB 4.15Å; Y94-L143 HydrophobicContact CD2-CD1 4.28Å; Y94-L144 WeakPolarHBondContact CB-O 3.47Å; Y94-R152 PolarHBondContact OH-NH1 3.19Å; Y94-R152 PolarHBondContact OH-NH2 3.23Å
95	S	82.1	Confident	82.4	Confident	79 Å²	79	46.1 Å²	46.1	55%	0.552	23%	0.225	S	C	*	.	S	Bend	trans	-66.7	-33	-176.5	56.5	0	0	0	0	112.6
96	K	88.2	Confident	82.9	Confident	89 Å²	89	46.6 Å²	46.6	39%	0.387	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.2	179.4	-67.8	-178.4	-175.9	175.2	0	111	Y94 L144	Y94-K96 VanDerWaalsContact C-N 3.3Å; Y94-K96 PolarHBondContact O-N 2.9Å; K96-L144 HydrophobicContact CB-CB 4.06Å; K96-L144 HydrophobicContact CB-CD1 4.49Å; K96-L144 PolarHBondContact O-N 2.79Å
97	T	88.8	Confident	83.4	Confident	35 Å²	35	46.2 Å²	46.2	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	173.2	168.4	67.1	0	0	0	0	109.8	Y99 S100 V142 L143 L144	T97-Y99 PolarHBondContact O-N 3.05Å; T97-Y99 VanDerWaalsContact O-N 3.1Å; T97-Y99 PolarHBondContact OG1-N 3.16Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.1Å; T97-S100 PolarHBondContact O-OG 2.98Å; T97-V142 CarbonylContact C-O 3.59Å; T97-V142 WeakPolarHBondContact CA-O 3.03Å; T97-L143 HydrophobicContact CG2-CD2 3.82Å; T97-L144 VanDerWaalsContact O-CD1 3.32Å; T97-L144 WeakPolarHBondContact O-CD1 3.29Å
98	F	88.7	Confident	83.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.4	172.3	177.6	-88	0	0	0	113.2	S100 L101 L102 V116 G139 V142 L280 L284	F98-S100 PolarHBondContact O-N 3.23Å; F98-L101 HydrophobicContact CD2-CD1 4.19Å; F98-L101 VanDerWaalsContact O-CB 3.27Å; F98-L101 WeakPolarHBondContact O-CB 3.01Å; F98-L101 PolarHBondContact O-N 3.34Å; F98-L102 HydrophobicContact CE1-CD2 4.38Å; F98-V116 HydrophobicContact CD2-CG1 4.21Å; F98-V116 HydrophobicContact CE2-CG1 4.14Å; F98-G139 VanDerWaalsContact CB-O 3.29Å; F98-G139 WeakPolarHBondContact CB-O 3.32Å; F98-G139 PolarHBondContact N-O 3.03Å; F98-V142 HydrophobicContact CB-CB 3.91Å; F98-V142 HydrophobicContact CB-CG1 4.05Å; F98-V142 HydrophobicContact CD2-CG1 4.19Å; F98-V142 PolarHBondContact N-O 3.27Å; F98-L280 HydrophobicContact CD1-CD2 3.82Å; F98-L280 HydrophobicContact CD2-CD2 4.46Å; F98-L280 HydrophobicContact CE1-CB 4.41Å; F98-L280 HydrophobicContact CE1-CD2 3.59Å; F98-L280 HydrophobicContact CE2-CB 4.12Å; F98-L280 HydrophobicContact CE2-CD2 4.25Å; F98-L280 HydrophobicContact CG-CD2 4.24Å; F98-L280 HydrophobicContact CZ-CB 3.79Å; F98-L280 HydrophobicContact CZ-CD2 3.8Å; F98-L280 HydrophobicContact CZ-CG 4.41Å; F98-L280 VanDerWaalsContact CZ-O 3.29Å; F98-L280 WeakPolarHBondContact CZ-O 3.09Å; F98-L284 HydrophobicContact CE1-CG 4.38Å; F98-L284 HydrophobicContact CE2-CD1 3.56Å; F98-L284 HydrophobicContact CE2-CD2 4.22Å; F98-L284 HydrophobicContact CE2-CG 3.7Å; F98-L284 HydrophobicContact CZ-CD1 3.84Å; F98-L284 HydrophobicContact CZ-CD2 4.12Å; F98-L284 HydrophobicContact CZ-CG 3.47Å; F98-L284 VanDerWaalsContact CZ-CG 3.47Å
99	Y	85.8	Confident	84.2	Confident	46 Å²	46	45 Å²	45	18%	0.18	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-28	177.9	-63.6	-51.7	0	0	0	113.6	T97 L101 L102 E140 Y253	T97-Y99 PolarHBondContact O-N 3.05Å; T97-Y99 VanDerWaalsContact O-N 3.1Å; T97-Y99 PolarHBondContact OG1-N 3.16Å; Y99-L101 PolarHBondContact O-N 3.07Å; Y99-L102 HydrophobicContact CD1-CD1 3.89Å; Y99-L102 WeakPolarHBondContact O-CB 3.33Å; Y99-L102 PolarHBondContact O-N 2.95Å; Y99-E140 HydrophobicContact CE2-CB 4.01Å; Y99-E140 VanDerWaalsContact CE2-N 3.29Å; Y99-Y253 WeakPolarHBondContact CE1-OH 3.49Å; Y99-Y253 PolarHBondContact OH-OH 3.42Å; Y99-Y253 VanDerWaalsContact OH-OH 3.13Å
100	S	86.5	Confident	84.4	Confident	25 Å²	25	47 Å²	47	18%	0.175	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-24.3	174.3	67.6	0	0	0	0	112.9	T97 F98 L102 E103 L144	T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.1Å; T97-S100 PolarHBondContact O-OG 2.98Å; F98-S100 PolarHBondContact O-N 3.23Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 2.92Å; S100-E103 PolarHBondContact O-N 3.5Å; S100-L144 WeakPolarHBondContact OG-CD1 3.12Å
101	L	86.2	Confident	84.5	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-29.8	173.3	-58.7	176	0	0	0	111.7	F98 Y99 E103 E104 R109 R112 V116 L144 L284	F98-L101 HydrophobicContact CD2-CD1 4.19Å; F98-L101 VanDerWaalsContact O-CB 3.27Å; F98-L101 WeakPolarHBondContact O-CB 3.01Å; F98-L101 PolarHBondContact O-N 3.34Å; Y99-L101 PolarHBondContact O-N 3.07Å; L101-E103 PolarHBondContact O-N 2.94Å; L101-E104 WeakPolarHBondContact O-CB 2.97Å; L101-E104 PolarHBondContact O-N 3.14Å; L101-E104 VanDerWaalsContact O-N 3.11Å; L101-R109 WeakPolarHBondContact O-CD 3.33Å; L101-R109 WeakPolarHBondContact O-CG 3.22Å; L101-R112 VanDerWaalsContact CD2-CD 3.48Å; L101-V116 HydrophobicContact CD1-CG1 4.48Å; L101-V116 HydrophobicContact CD1-CG2 3.78Å; L101-L144 HydrophobicContact CD1-CD1 3.97Å; L101-L144 HydrophobicContact CD1-CD2 4.33Å; L101-L144 HydrophobicContact CD2-CD1 3.67Å; L101-L144 HydrophobicContact CG-CD1 3.58Å; L101-L284 HydrophobicContact CB-CD2 3.73Å; L101-L284 HydrophobicContact CD1-CD2 3.9Å; L101-L284 HydrophobicContact CG-CD2 4.47Å
102	L	83.3	Confident	84.7	Confident	29 Å²	29	53.4 Å²	53.4	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-72.8	-15.7	-179.2	-53.6	-176.9	0	0	0	112.5	F98 Y99 S100 E104 E283 L284	F98-L102 HydrophobicContact CE1-CD2 4.38Å; Y99-L102 HydrophobicContact CD1-CD1 3.89Å; Y99-L102 WeakPolarHBondContact O-CB 3.33Å; Y99-L102 PolarHBondContact O-N 2.95Å; S100-L102 VanDerWaalsContact C-N 3.28Å; S100-L102 PolarHBondContact O-N 2.92Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E283 HydrophobicContact CD1-CG 3.87Å; L102-E283 HydrophobicContact CD2-CG 4.11Å; L102-L284 HydrophobicContact CD2-CD2 4.28Å
103	E	84.2	Confident	84.9	Confident	174 Å²	174	52.6 Å²	52.6	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.3	172	-58.5	176.2	179.9	0	0	111.9	S100 L101	S100-E103 PolarHBondContact O-N 3.5Å; L101-E103 PolarHBondContact O-N 2.94Å
104	E	84.2	Confident	84.9	Confident	54 Å²	54	52.4 Å²	52.4	25%	0.252	27%	0.274	S	S	.	.	S	Bend	trans	-76.8	154.8	176.6	-57.5	-174.8	162.4	0	0	111.5	L101 L102 A108 R109 R112	L101-E104 WeakPolarHBondContact O-CB 2.97Å; L101-E104 PolarHBondContact O-N 3.14Å; L101-E104 VanDerWaalsContact O-N 3.11Å; L102-E104 VanDerWaalsContact C-N 3.33Å; E104-A108 HydrophobicContact CB-CB 4.08Å; E104-R109 HydrophobicContact CB-CG 4.22Å; E104-R109 PolarHBondContact O-NE 3.48Å; E104-R112 IonicContact OE1-CZ 3.2Å; E104-R112 IonicContact OE1-NE 3.15Å; E104-R112 PolarHBondContact OE1-NE 3.28Å; E104-R112 VanDerWaalsContact OE1-NE 3.15Å; E104-R112 IonicContact OE1-NH2 3.4Å; E104-R112 PolarHBondContact OE1-NH2 3.09Å; E104-R112 WeakPolarHBondContact OE2-CD 3.44Å; E104-R112 IonicContact OE2-CZ 2.9Å; E104-R112 IonicContact OE2-NE 2.83Å; E104-R112 PolarHBondContact OE2-NE 2.75Å; E104-R112 IonicContact OE2-NH2 2.74Å
105	N	82.4	Confident	84.9	Confident	102 Å²	102	58.9 Å²	58.9	55%	0.545	30%	0.298	S	S	.	.			trans	-63.7	163.1	174	69.2	22.4	0	0	0	111.4	D107 A108 R109	N105-D107 VanDerWaalsContact C-N 3.3Å; N105-D107 PolarHBondContact O-N 2.85Å; N105-A108 PolarHBondContact O-N 3.05Å; N105-A108 WeakPolarHBondContact OD1-CB 2.84Å; N105-A108 PolarHBondContact OD1-N 2.85Å; N105-R109 WeakPolarHBondContact O-CG 3.19Å; N105-R109 PolarHBondContact O-N 3.26Å; N105-R109 VanDerWaalsContact O-N 3.15Å
106	I	80.5	Confident	85.2	Confident	46 Å²	46	55.6 Å²	55.6	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-36.6	-174.6	-169.4	61.7	0	0	0	112.6	R109 L110	I106-R109 PolarHBondContact O-N 3.4Å; I106-L110 HydrophobicContact CG1-CD1 4.24Å; I106-L110 HydrophobicContact CG1-CG 4.43Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.42Å; I106-L110 PolarHBondContact O-N 3.18Å
107	D	81.6	Confident	85.2	Confident	108 Å²	108	51.3 Å²	51.3	58%	0.578	26%	0.256	S	S	*	.	H	α-helix	trans	-64.2	-45.1	180	-60.2	-42.9	0	0	0	111.7	N105 R109 L110 D111	N105-D107 VanDerWaalsContact C-N 3.3Å; N105-D107 PolarHBondContact O-N 2.85Å; D107-R109 VanDerWaalsContact C-N 3.32Å; D107-R109 PolarHBondContact O-N 2.71Å; D107-L110 WeakPolarHBondContact O-CB 3.48Å; D107-L110 PolarHBondContact O-N 3.31Å; D107-D111 PolarHBondContact O-N 3.28Å
108	A	84.8	Confident	85.1	Confident	31 Å²	31	51.7 Å²	51.7	26%	0.256	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-38.9	175.5	0	0	0	0	0	112	E104 N105 D111 R112	E104-A108 HydrophobicContact CB-CB 4.08Å; N105-A108 PolarHBondContact O-N 3.05Å; N105-A108 WeakPolarHBondContact OD1-CB 2.84Å; N105-A108 PolarHBondContact OD1-N 2.85Å; A108-D111 PolarHBondContact O-N 2.92Å; A108-R112 WeakPolarHBondContact O-CG 3.46Å; A108-R112 PolarHBondContact O-N 3.26Å; A108-R112 VanDerWaalsContact O-N 3.11Å
109	R	85.5	Confident	85.1	Confident	9 Å²	9	51.9 Å²	51.9	3%	0.034	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-41.3	175	-71.2	-174.6	-77.7	167.3	-14.7	112.3	L101 E104 N105 I106 D107 D111 R112 F113 L284 L286	L101-R109 WeakPolarHBondContact O-CD 3.33Å; L101-R109 WeakPolarHBondContact O-CG 3.22Å; E104-R109 HydrophobicContact CB-CG 4.22Å; E104-R109 PolarHBondContact O-NE 3.48Å; N105-R109 WeakPolarHBondContact O-CG 3.19Å; N105-R109 PolarHBondContact O-N 3.26Å; N105-R109 VanDerWaalsContact O-N 3.15Å; I106-R109 PolarHBondContact O-N 3.4Å; D107-R109 VanDerWaalsContact C-N 3.32Å; D107-R109 PolarHBondContact O-N 2.71Å; R109-D111 VanDerWaalsContact C-N 3.35Å; R109-R112 PolarHBondContact O-N 3.25Å; R109-F113 PolarHBondContact O-N 2.9Å; R109-L284 WeakPolarHBondContact CD-O 3.42Å; R109-L284 HydrophobicContact CG-CD2 4.41Å; R109-L284 PolarHBondContact NH1-O 2.89Å; R109-L284 VanDerWaalsContact NH1-O 3.08Å; R109-L286 PolarHBondContact NH1-O 3.44Å
110	L	83.3	Confident	85.4	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-42.1	175.3	-71.7	169.4	0	0	0	111.5	I106 D107 R112 F113 L285 F342	I106-L110 HydrophobicContact CG1-CD1 4.24Å; I106-L110 HydrophobicContact CG1-CG 4.43Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.42Å; I106-L110 PolarHBondContact O-N 3.18Å; D107-L110 WeakPolarHBondContact O-CB 3.48Å; D107-L110 PolarHBondContact O-N 3.31Å; L110-R112 VanDerWaalsContact C-N 3.25Å; L110-R112 PolarHBondContact O-N 2.5Å; L110-F113 WeakPolarHBondContact O-CB 3.13Å; L110-F113 PolarHBondContact O-N 3.43Å; L110-L285 HydrophobicContact CD2-CD2 3.4Å; L110-L285 VanDerWaalsContact CD2-CD2 3.4Å; L110-L285 HydrophobicContact CG-CD2 4.45Å; L110-F342 HydrophobicContact CD2-CD2 4.07Å; L110-F342 HydrophobicContact CD2-CE2 3.78Å
111	D	84.1	Confident	85.5	Confident	118 Å²	118	49 Å²	49	63%	0.631	24%	0.241	S	C	*	.	H	α-helix	trans	-65.1	-27.5	176.8	-79.6	-10.7	0	0	0	113.4	D107 A108 R109	D107-D111 PolarHBondContact O-N 3.28Å; A108-D111 PolarHBondContact O-N 2.92Å; R109-D111 VanDerWaalsContact C-N 3.35Å
112	R	86	Confident	85.6	Confident	55 Å²	55	50 Å²	50	21%	0.208	25%	0.249	C	C	.	.	H	α-helix	trans	-90.1	-22.9	177.2	-70.2	-174.6	-168.9	-73.3	5.8	113.8	L101 E104 A108 R109 L110 N114 R115 V116 V148	L101-R112 VanDerWaalsContact CD2-CD 3.48Å; E104-R112 IonicContact OE1-CZ 3.2Å; E104-R112 IonicContact OE1-NE 3.15Å; E104-R112 PolarHBondContact OE1-NE 3.28Å; E104-R112 VanDerWaalsContact OE1-NE 3.15Å; E104-R112 IonicContact OE1-NH2 3.4Å; E104-R112 PolarHBondContact OE1-NH2 3.09Å; E104-R112 WeakPolarHBondContact OE2-CD 3.44Å; E104-R112 IonicContact OE2-CZ 2.9Å; E104-R112 IonicContact OE2-NE 2.83Å; E104-R112 PolarHBondContact OE2-NE 2.75Å; E104-R112 IonicContact OE2-NH2 2.74Å; A108-R112 WeakPolarHBondContact O-CG 3.46Å; A108-R112 PolarHBondContact O-N 3.26Å; A108-R112 VanDerWaalsContact O-N 3.11Å; R109-R112 PolarHBondContact O-N 3.25Å; L110-R112 VanDerWaalsContact C-N 3.25Å; L110-R112 PolarHBondContact O-N 2.5Å; R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; R112-R115 PolarHBondContact O-N 3.05Å; R112-V116 HydrophobicContact CB-CG2 4.31Å; R112-V116 PolarHBondContact O-N 3.03Å; R112-V148 VanDerWaalsContact NH1-CB 3.3Å; R112-V148 PolarHBondContact NH1-O 2.75Å; R112-V148 VanDerWaalsContact NH1-O 3.13Å
113	F	87.7	Confident	85.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-46.7	-53.1	-172.1	-177.3	-90	0	0	0	112.8	R109 L110 R115 V116 A117 L281 L284 L285 F342 L345 I346	R109-F113 PolarHBondContact O-N 2.9Å; L110-F113 WeakPolarHBondContact O-CB 3.13Å; L110-F113 PolarHBondContact O-N 3.43Å; F113-R115 VanDerWaalsContact C-N 3.32Å; F113-R115 PolarHBondContact O-N 2.73Å; F113-V116 PolarHBondContact O-N 2.7Å; F113-A117 VanDerWaalsContact O-CB 3.23Å; F113-A117 WeakPolarHBondContact O-CB 3.17Å; F113-A117 PolarHBondContact O-N 3.47Å; F113-L281 HydrophobicContact CD2-CD2 4.35Å; F113-L281 HydrophobicContact CE2-CB 3.71Å; F113-L281 HydrophobicContact CE2-CD2 3.81Å; F113-L281 HydrophobicContact CE2-CG 4.19Å; F113-L281 HydrophobicContact CZ-CB 3.93Å; F113-L281 HydrophobicContact CZ-CD1 4.04Å; F113-L281 HydrophobicContact CZ-CD2 4.07Å; F113-L281 HydrophobicContact CZ-CG 4.22Å; F113-L284 HydrophobicContact CD2-CB 4.38Å; F113-L284 HydrophobicContact CD2-CD1 4.37Å; F113-L285 HydrophobicContact CD2-CD1 3.84Å; F113-L285 HydrophobicContact CD2-CD2 3.68Å; F113-L285 HydrophobicContact CD2-CG 3.82Å; F113-L285 HydrophobicContact CE2-CD1 3.41Å; F113-L285 VanDerWaalsContact CE2-CD1 3.41Å; F113-L285 HydrophobicContact CE2-CD2 4.13Å; F113-L285 HydrophobicContact CE2-CG 3.78Å; F113-L285 HydrophobicContact CG-CD2 4.32Å; F113-L285 HydrophobicContact CZ-CD1 3.96Å; F113-F342 HydrophobicContact CB-CD2 4.22Å; F113-F342 HydrophobicContact CB-CE2 3.71Å; F113-F342 HydrophobicContact CB-CZ 3.97Å; F113-F342 HydrophobicContact CD1-CB 4.19Å; F113-F342 AromaticContact CD1-CD1 3.44Å; F113-F342 HydrophobicContact CD1-CD1 3.44Å; F113-F342 VanDerWaalsContact CD1-CD1 3.44Å; F113-F342 AromaticContact CD1-CD2 3.59Å; F113-F342 HydrophobicContact CD1-CD2 3.59Å; F113-F342 AromaticContact CD1-CE1 3.61Å; F113-F342 HydrophobicContact CD1-CE1 3.61Å; F113-F342 AromaticContact CD1-CE2 3.72Å; F113-F342 HydrophobicContact CD1-CE2 3.72Å; F113-F342 AromaticContact CD1-CG 3.46Å; F113-F342 HydrophobicContact CD1-CG 3.46Å; F113-F342 VanDerWaalsContact CD1-CG 3.46Å; F113-F342 AromaticContact CD1-CZ 3.74Å; F113-F342 HydrophobicContact CD1-CZ 3.74Å; F113-F342 HydrophobicContact CD2-CD2 4.27Å; F113-F342 HydrophobicContact CE1-CB 3.68Å; F113-F342 AromaticContact CE1-CD1 3.55Å; F113-F342 HydrophobicContact CE1-CD1 3.55Å; F113-F342 AromaticContact CE1-CD2 3.98Å; F113-F342 HydrophobicContact CE1-CD2 3.98Å; F113-F342 HydrophobicContact CE1-CE1 4.19Å; F113-F342 AromaticContact CE1-CG 3.45Å; F113-F342 HydrophobicContact CE1-CG 3.45Å; F113-F342 VanDerWaalsContact CE1-CG 3.45Å; F113-F342 HydrophobicContact CG-CD1 4.4Å; F113-F342 AromaticContact CG-CD2 3.75Å; F113-F342 HydrophobicContact CG-CD2 3.75Å; F113-F342 HydrophobicContact CG-CE1 4.43Å; F113-F342 AromaticContact CG-CE2 3.75Å; F113-F342 HydrophobicContact CG-CE2 3.75Å; F113-F342 HydrophobicContact CG-CG 4.1Å; F113-F342 HydrophobicContact CG-CZ 4.11Å; F113-F342 HydrophobicContact CZ-CB 3.89Å; F113-F342 HydrophobicContact CZ-CD2 4.46Å; F113-F342 HydrophobicContact CZ-CG 4.08Å; F113-L345 HydrophobicContact CE1-CD2 4Å; F113-L345 HydrophobicContact CZ-CD2 4.29Å; F113-I346 HydrophobicContact CE2-CD1 4.32Å; F113-I346 HydrophobicContact CZ-CD1 4.21Å; F113-I346 HydrophobicContact CZ-CG1 4.33Å
114	N	84.8	Confident	86.2	Confident	56 Å²	56	40.4 Å²	40.4	30%	0.299	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-40.4	-179	-74.8	-31.5	0	0	0	112.8	R112 F118 F342	R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; N114-F118 WeakPolarHBondContact O-CB 3.33Å; N114-F118 PolarHBondContact O-N 3.27Å; N114-F342 WeakPolarHBondContact OD1-CE1 3.4Å
115	R	84.1	Confident	86.2	Confident	138 Å²	138	40.3 Å²	40.3	52%	0.521	20%	0.204	S	C	.	.	H	α-helix	trans	-71.7	-42.5	-177.6	-68.7	-176.7	-109.8	-161.1	-3.2	111.8	R112 F113 S119	R112-R115 PolarHBondContact O-N 3.05Å; F113-R115 VanDerWaalsContact C-N 3.32Å; F113-R115 PolarHBondContact O-N 2.73Å; R115-S119 WeakPolarHBondContact O-CB 3.3Å; R115-S119 PolarHBondContact O-N 3.16Å; R115-S119 PolarHBondContact O-OG 3.04Å
116	V	88.8	Confident	86.3	Confident	9 Å²	9	37.6 Å²	37.6	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-48.5	177.2	178.6	0	0	0	0	110.3	F98 L101 R112 F113 F118 S119 I120 A151 L284	F98-V116 HydrophobicContact CD2-CG1 4.21Å; F98-V116 HydrophobicContact CE2-CG1 4.14Å; L101-V116 HydrophobicContact CD1-CG1 4.48Å; L101-V116 HydrophobicContact CD1-CG2 3.78Å; R112-V116 HydrophobicContact CB-CG2 4.31Å; R112-V116 PolarHBondContact O-N 3.03Å; F113-V116 PolarHBondContact O-N 2.7Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 2.8Å; V116-S119 PolarHBondContact O-N 3.43Å; V116-I120 HydrophobicContact CG1-CD1 3.74Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.29Å; V116-I120 PolarHBondContact O-N 3.01Å; V116-A151 HydrophobicContact CG1-CB 4.34Å; V116-L284 HydrophobicContact CB-CD1 4.42Å; V116-L284 HydrophobicContact CG1-CD1 4.21Å
117	A	88.2	Confident	86.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.9	0	0	0	0	0	111.8	F113 L121 L281 L345	F113-A117 VanDerWaalsContact O-CB 3.23Å; F113-A117 WeakPolarHBondContact O-CB 3.17Å; F113-A117 PolarHBondContact O-N 3.47Å; A117-L121 WeakPolarHBondContact O-CB 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.31Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.86Å; A117-L281 HydrophobicContact CB-CD1 3.96Å; A117-L281 HydrophobicContact CB-CD2 3.72Å; A117-L345 HydrophobicContact CB-CD2 3.93Å
118	F	86.8	Confident	86.5	Confident	42 Å²	42	31.8 Å²	31.8	18%	0.184	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-50.7	176.6	179.7	-90.1	0	0	0	111.8	Y72 N114 V116 I120 L121 C122 L363 L369	Y72-F118 HydrophobicContact CE1-CE1 4.5Å; N114-F118 WeakPolarHBondContact O-CB 3.33Å; N114-F118 PolarHBondContact O-N 3.27Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 2.8Å; F118-I120 PolarHBondContact O-N 3.1Å; F118-L121 PolarHBondContact O-N 3.3Å; F118-C122 WeakPolarHBondContact O-CB 3.48Å; F118-C122 PolarHBondContact O-N 3.23Å; F118-C122 PolarHBondContact O-SG 2.89Å; F118-C122 VanDerWaalsContact O-SG 3.35Å; F118-L363 HydrophobicContact CB-CD2 4.28Å; F118-L363 HydrophobicContact CD2-CD2 3.56Å; F118-L363 HydrophobicContact CE2-CD2 4.31Å; F118-L363 HydrophobicContact CG-CD2 4.33Å; F118-L369 HydrophobicContact CE2-CD2 3.68Å; F118-L369 HydrophobicContact CE2-CG 4.08Å; F118-L369 HydrophobicContact CZ-CD2 4.11Å
119	S	89.3	Confident	86.3	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-46.9	-177.7	-57.2	0	0	0	0	112.1	R115 V116 C122 G123 A151	R115-S119 WeakPolarHBondContact O-CB 3.3Å; R115-S119 PolarHBondContact O-N 3.16Å; R115-S119 PolarHBondContact O-OG 3.04Å; V116-S119 PolarHBondContact O-N 3.43Å; S119-C122 PolarHBondContact O-N 3.31Å; S119-G123 PolarHBondContact O-N 3.5Å; S119-A151 WeakPolarHBondContact CB-O 3.32Å; S119-A151 PolarHBondContact OG-N 2.76Å
120	I	91.5	Very high	86	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-44.9	178.8	-62.3	168.3	0	0	0	110.4	V116 F118 C122 G123 L124 L137 V142 A151 L153 L277	V116-I120 HydrophobicContact CG1-CD1 3.74Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CG1 3.29Å; V116-I120 PolarHBondContact O-N 3.01Å; F118-I120 PolarHBondContact O-N 3.1Å; I120-C122 PolarHBondContact O-N 3.3Å; I120-G123 PolarHBondContact O-N 2.95Å; I120-L124 HydrophobicContact CG2-CD1 4.02Å; I120-L124 HydrophobicContact CG2-CG 4.2Å; I120-L124 WeakPolarHBondContact O-CG 3.24Å; I120-L124 PolarHBondContact O-N 3.39Å; I120-L137 HydrophobicContact CG2-CD1 4.44Å; I120-L137 HydrophobicContact CG2-CD2 4.11Å; I120-V142 HydrophobicContact CD1-CG1 3.95Å; I120-V142 HydrophobicContact CD1-CG2 4.22Å; I120-V142 HydrophobicContact CG1-CG1 4.14Å; I120-A151 HydrophobicContact CG1-CB 4.08Å; I120-L153 HydrophobicContact CB-CD2 4.38Å; I120-L153 HydrophobicContact CG1-CD2 4.14Å; I120-L153 HydrophobicContact CG2-CD2 4.02Å; I120-L277 HydrophobicContact CB-CD1 4Å; I120-L277 HydrophobicContact CD1-CD1 3.99Å; I120-L277 HydrophobicContact CG2-CD1 3.7Å
121	L	89.3	Confident	85.6	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-43.2	177.8	-78.6	167.8	0	0	0	112.2	A117 F118 G123 L124 D125 I274 L277 L345 L363	A117-L121 WeakPolarHBondContact O-CB 3.46Å; A117-L121 VanDerWaalsContact O-CG 3.31Å; A117-L121 WeakPolarHBondContact O-CG 3.4Å; A117-L121 PolarHBondContact O-N 2.86Å; F118-L121 PolarHBondContact O-N 3.3Å; L121-G123 VanDerWaalsContact C-N 3.33Å; L121-G123 PolarHBondContact O-N 3.34Å; L121-L124 PolarHBondContact O-N 2.77Å; L121-D125 WeakPolarHBondContact O-CB 3.36Å; L121-D125 PolarHBondContact O-N 3.36Å; L121-I274 HydrophobicContact CD2-CD1 4.09Å; L121-L277 HydrophobicContact CD1-CD2 4.35Å; L121-L277 HydrophobicContact CD2-CD2 3.36Å; L121-L277 HydrophobicContact CG-CD2 3.59Å; L121-L345 HydrophobicContact CD1-CD1 4.4Å; L121-L363 HydrophobicContact CB-CD1 4.35Å; L121-L363 HydrophobicContact CD1-CD1 4.38Å; L121-L363 HydrophobicContact CD1-CD2 3.89Å; L121-L363 HydrophobicContact CD1-CG 4.23Å
122	C	88.1	Confident	85.3	Confident	24 Å²	24	33 Å²	33	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-37.9	175.3	-70.6	0	0	0	0	112.4	Y72 F118 S119 I120 Y126	Y72-C122 HydrophobicContact CD1-CB 4.33Å; Y72-C122 HydrophobicContact CD2-CB 3.38Å; Y72-C122 HydrophobicContact CE1-CB 4.35Å; Y72-C122 HydrophobicContact CE2-CB 3.4Å; Y72-C122 HydrophobicContact CG-CB 3.87Å; F118-C122 WeakPolarHBondContact O-CB 3.48Å; F118-C122 PolarHBondContact O-N 3.23Å; F118-C122 PolarHBondContact O-SG 2.89Å; F118-C122 VanDerWaalsContact O-SG 3.35Å; S119-C122 PolarHBondContact O-N 3.31Å; I120-C122 PolarHBondContact O-N 3.3Å; C122-Y126 WeakPolarHBondContact O-CB 3.33Å; C122-Y126 PolarHBondContact O-N 3.5Å; C122-Y126 VanDerWaalsContact O-N 3.08Å
123	G	89.6	Confident	84.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-46.3	173.3	0	0	0	0	0	112.6	S119 I120 L121 Y126 L127	S119-G123 PolarHBondContact O-N 3.5Å; I120-G123 PolarHBondContact O-N 2.95Å; L121-G123 VanDerWaalsContact C-N 3.33Å; L121-G123 PolarHBondContact O-N 3.34Å; G123-Y126 PolarHBondContact O-N 3.01Å; G123-L127 WeakPolarHBondContact O-CG 3.24Å; G123-L127 PolarHBondContact O-N 3.4Å
124	L	88.8	Confident	84.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-45.8	178.1	-70	179.4	0	0	0	112.2	I120 L121 Y126 L127 H128 H134 L137 L153 D273 I274	I120-L124 HydrophobicContact CG2-CD1 4.02Å; I120-L124 HydrophobicContact CG2-CG 4.2Å; I120-L124 WeakPolarHBondContact O-CG 3.24Å; I120-L124 PolarHBondContact O-N 3.39Å; L121-L124 PolarHBondContact O-N 2.77Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.46Å; L124-L127 PolarHBondContact O-N 3.11Å; L124-L127 VanDerWaalsContact O-N 3.12Å; L124-H128 WeakPolarHBondContact O-CB 3.45Å; L124-H128 PolarHBondContact O-CD2 2.86Å; L124-H128 VanDerWaalsContact O-CD2 3.29Å; L124-H128 PolarHBondContact O-N 3.03Å; L124-H134 HydrophobicContact CD2-CB 3.93Å; L124-L137 HydrophobicContact CD1-CD2 4.07Å; L124-L137 HydrophobicContact CD2-CD2 4.47Å; L124-L153 HydrophobicContact CD2-CD1 3.86Å; L124-L153 HydrophobicContact CG-CD1 4.05Å; L124-D273 HydrophobicContact CD1-CB 3.97Å; L124-D273 HydrophobicContact CD2-CB 3.73Å; L124-D273 HydrophobicContact CG-CB 4.45Å; L124-I274 HydrophobicContact CD1-CD1 4.34Å
125	D	85.3	Confident	83.9	Confident	53 Å²	53	31 Å²	31	28%	0.283	15%	0.146	S	C	.	.	H	α-helix	trans	-59.8	-42.4	176.9	-179.9	76.6	0	0	0	111.7	L121 L127 H128 T129 I360	L121-D125 WeakPolarHBondContact O-CB 3.36Å; L121-D125 PolarHBondContact O-N 3.36Å; D125-L127 VanDerWaalsContact C-N 3.27Å; D125-L127 PolarHBondContact O-N 2.9Å; D125-H128 PolarHBondContact O-N 3.13Å; D125-T129 WeakPolarHBondContact O-CB 3.4Å; D125-T129 VanDerWaalsContact O-CG2 3.26Å; D125-T129 WeakPolarHBondContact O-CG2 3.43Å; D125-T129 PolarHBondContact O-N 3.32Å; D125-T129 PolarHBondContact O-OG1 3.05Å; D125-I360 HydrophobicContact CB-CD1 4.03Å; D125-I360 WeakPolarHBondContact OD1-CD1 3.47Å; D125-I360 WeakPolarHBondContact OD2-CD1 3.29Å
126	Y	84.5	Confident	83.4	Confident	45 Å²	45	26.8 Å²	26.8	18%	0.176	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-38.8	175.6	-178.1	-83.9	0	0	0	112.6	L68 S69 L73 C122 G123 L124 T129 R130	L68-Y126 HydrophobicContact CB-CE1 4.27Å; L68-Y126 HydrophobicContact CD2-CE1 4.18Å; S69-Y126 PolarHBondContact N-OH 3.42Å; S69-Y126 PolarHBondContact O-OH 3.49Å; L73-Y126 HydrophobicContact CD1-CD1 3.63Å; L73-Y126 HydrophobicContact CD1-CE1 3.87Å; C122-Y126 WeakPolarHBondContact O-CB 3.33Å; C122-Y126 PolarHBondContact O-N 3.5Å; C122-Y126 VanDerWaalsContact O-N 3.08Å; G123-Y126 PolarHBondContact O-N 3.01Å; L124-Y126 VanDerWaalsContact C-N 3.31Å; L124-Y126 PolarHBondContact O-N 3.46Å; Y126-T129 PolarHBondContact O-OG1 2.8Å; Y126-R130 VanDerWaalsContact CE2-CZ 3.41Å; Y126-R130 WeakPolarHBondContact O-CD 3.46Å; Y126-R130 PolarHBondContact O-NH1 3.03Å
127	L	83.6	Confident	83.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-72.3	-48.1	175.6	-67.4	173.2	0	0	0	111.4	L68 L73 G123 L124 D125 T129 R130 G131 I132 H134 L153 Y156	L68-L127 HydrophobicContact CD1-CD2 3.83Å; L73-L127 HydrophobicContact CD1-CD2 3.78Å; L73-L127 HydrophobicContact CD1-CG 4.24Å; L73-L127 HydrophobicContact CD2-CD1 3.99Å; L73-L127 HydrophobicContact CD2-CD2 4.3Å; L73-L127 HydrophobicContact CD2-CG 4.07Å; G123-L127 WeakPolarHBondContact O-CG 3.24Å; G123-L127 PolarHBondContact O-N 3.4Å; L124-L127 PolarHBondContact O-N 3.11Å; L124-L127 VanDerWaalsContact O-N 3.12Å; D125-L127 VanDerWaalsContact C-N 3.27Å; D125-L127 PolarHBondContact O-N 2.9Å; L127-T129 PolarHBondContact O-N 3.02Å; L127-R130 CarbonylContact O-C 3.58Å; L127-R130 WeakPolarHBondContact O-CA 3.44Å; L127-R130 WeakPolarHBondContact O-CB 3.17Å; L127-R130 PolarHBondContact O-N 2.73Å; L127-G131 PolarHBondContact O-N 2.97Å; L127-I132 CarbonylContact C-O 3.41Å; L127-I132 HydrophobicContact CB-CB 4.22Å; L127-I132 HydrophobicContact CB-CG2 4.41Å; L127-I132 WeakPolarHBondContact CB-O 3.21Å; L127-I132 HydrophobicContact CD2-CB 4.25Å; L127-I132 HydrophobicContact CD2-CG2 3.95Å; L127-I132 PolarHBondContact O-N 2.74Å; L127-I132 VanDerWaalsContact O-O 3.13Å; L127-H134 HydrophobicContact CD1-CB 4.49Å; L127-L153 HydrophobicContact CD1-CD1 4.45Å; L127-Y156 HydrophobicContact CD1-CG 4.14Å; L127-Y156 HydrophobicContact CD2-CD2 3.83Å; L127-Y156 HydrophobicContact CD2-CE2 4.23Å; L127-Y156 HydrophobicContact CD2-CG 4.17Å
128	H	82.6	Confident	83	Confident	32 Å²	32	26.5 Å²	26.5	15%	0.148	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-175.6	-67	177	0	0	0	112.1	L124 D125 R130 G131 I132 Y133 P270 D273	L124-H128 WeakPolarHBondContact O-CB 3.45Å; L124-H128 PolarHBondContact O-CD2 2.86Å; L124-H128 VanDerWaalsContact O-CD2 3.29Å; L124-H128 PolarHBondContact O-N 3.03Å; D125-H128 PolarHBondContact O-N 3.13Å; H128-R130 PolarHBondContact O-N 2.99Å; H128-R130 VanDerWaalsContact O-N 3.15Å; H128-G131 PolarHBondContact O-N 3.34Å; H128-I132 PolarHBondContact CD2-O 3.41Å; H128-I132 PolarHBondContact N-O 3.38Å; H128-Y133 AromaticContact CD2-CD1 3.68Å; H128-P270 WeakPolarHBondContact CE1-CB 3.18Å; H128-P270 WeakPolarHBondContact ND1-CB 3.38Å; H128-D273 IonicContact CD2-OD2 3.74Å; H128-D273 IonicContact CE1-OD2 3.74Å; H128-D273 IonicContact NE2-OD2 2.78Å; H128-D273 PolarHBondContact NE2-OD2 2.77Å
129	T	79.9	Confident	82.8	Confident	92 Å²	92	24.5 Å²	24.5	56%	0.564	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.9	174.1	51.5	0	0	0	0	113.4	D125 Y126 L127	D125-T129 WeakPolarHBondContact O-CB 3.4Å; D125-T129 VanDerWaalsContact O-CG2 3.26Å; D125-T129 WeakPolarHBondContact O-CG2 3.43Å; D125-T129 PolarHBondContact O-N 3.32Å; D125-T129 PolarHBondContact O-OG1 3.05Å; Y126-T129 PolarHBondContact O-OG1 2.8Å; L127-T129 PolarHBondContact O-N 3.02Å
130	R	80.7	Confident	82.5	Confident	116 Å²	116	28 Å²	28	44%	0.438	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8.1	175.1	-69.4	167.7	175.8	65.6	7	113.1	Y126 L127 H128 I132	Y126-R130 VanDerWaalsContact CE2-CZ 3.41Å; Y126-R130 WeakPolarHBondContact O-CD 3.46Å; Y126-R130 PolarHBondContact O-NH1 3.03Å; L127-R130 CarbonylContact O-C 3.58Å; L127-R130 WeakPolarHBondContact O-CA 3.44Å; L127-R130 WeakPolarHBondContact O-CB 3.17Å; L127-R130 PolarHBondContact O-N 2.73Å; H128-R130 PolarHBondContact O-N 2.99Å; H128-R130 VanDerWaalsContact O-N 3.15Å; R130-I132 VanDerWaalsContact C-N 3.27Å; R130-I132 HydrophobicContact CB-CD1 4.39Å; R130-I132 PolarHBondContact O-N 3.24Å
131	G	73.7	Confident	82.3	Confident	12 Å²	12	28.2 Å²	28.2	12%	0.124	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	20.2	-177.9	0	0	0	0	0	113.9	L127 H128	L127-G131 PolarHBondContact O-N 2.97Å; H128-G131 PolarHBondContact O-N 3.34Å
132	I	77.3	Confident	82.4	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.026	14%	0.136	C	C	.	.			trans	-105.1	131.7	177.7	-59.8	169.7	0	0	0	108.3	L65 L68 L127 H128 R130	L65-I132 HydrophobicContact CD2-CD1 3.91Å; L68-I132 HydrophobicContact CD1-CD1 3.73Å; L68-I132 HydrophobicContact CD2-CD1 4.39Å; L127-I132 CarbonylContact C-O 3.41Å; L127-I132 HydrophobicContact CB-CB 4.22Å; L127-I132 HydrophobicContact CB-CG2 4.41Å; L127-I132 WeakPolarHBondContact CB-O 3.21Å; L127-I132 HydrophobicContact CD2-CB 4.25Å; L127-I132 HydrophobicContact CD2-CG2 3.95Å; L127-I132 PolarHBondContact O-N 2.74Å; L127-I132 VanDerWaalsContact O-O 3.13Å; H128-I132 PolarHBondContact CD2-O 3.41Å; H128-I132 PolarHBondContact N-O 3.38Å; R130-I132 VanDerWaalsContact C-N 3.27Å; R130-I132 HydrophobicContact CB-CD1 4.39Å; R130-I132 PolarHBondContact O-N 3.24Å
133	Y	77.2	Confident	82.5	Confident	56 Å²	56	26.6 Å²	26.6	22%	0.22	13%	0.128	C	C	.	.			trans	-109.9	144.2	173.3	-49	-46.4	0	0	0	109.4	H128 I163 V268 P270	H128-Y133 AromaticContact CD2-CD1 3.68Å; Y133-I163 HydrophobicContact CE2-CD1 4.46Å; Y133-V268 VanDerWaalsContact CD2-O 3.27Å; Y133-V268 WeakPolarHBondContact CD2-O 3.47Å; Y133-V268 VanDerWaalsContact CE2-O 3.27Å; Y133-V268 WeakPolarHBondContact CE2-O 3.47Å; Y133-P270 HydrophobicContact CE1-CB 4.4Å
134	H	80.4	Confident	82.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.			trans	-70.7	-42.3	-178.5	-170.1	-52.4	0	0	0	111.3	L124 L127 F136 L137 T141 L154 D273	L124-H134 HydrophobicContact CD2-CB 3.93Å; L127-H134 HydrophobicContact CD1-CB 4.49Å; H134-F136 VanDerWaalsContact CE1-C 3.42Å; H134-F136 PolarHBondContact CE1-O 2.97Å; H134-F136 VanDerWaalsContact CE1-O 3.22Å; H134-F136 VanDerWaalsContact ND1-C 3.26Å; H134-F136 PolarHBondContact ND1-N 2.94Å; H134-F136 PolarHBondContact O-N 2.69Å; H134-L137 HydrophobicContact CB-CB 4.49Å; H134-L137 PolarHBondContact ND1-N 3.44Å; H134-T141 PolarHBondContact CE1-OG1 3.37Å; H134-L154 PolarHBondContact CE1-O 3.03Å; H134-L154 VanDerWaalsContact CE1-O 3.27Å; H134-L154 PolarHBondContact NE2-O 2.82Å; H134-L154 VanDerWaalsContact NE2-O 3.08Å; H134-D273 WeakPolarHBondContact CB-OD1 3.28Å; H134-D273 PolarHBondContact N-OD1 3.02Å; H134-D273 PolarHBondContact N-OD2 2.68Å
135	T	72.3	Confident	81.9	Confident	12 Å²	12	26.8 Å²	26.8	7%	0.074	13%	0.129	C	C	.	.	S	Bend	trans	58.1	-8.5	175.9	69	0	0	0	0	117.2	K159 V161 D273	T135-K159 PolarHBondContact OG1-O 3.47Å; T135-V161 HydrophobicContact CG2-CG2 4.09Å; T135-D273 PolarHBondContact N-OD1 3.11Å
136	F	74.7	Confident	81.2	Confident	49 Å²	49	28.1 Å²	28.1	22%	0.215	14%	0.136	C	C	.	.			trans	-139.3	36.5	-177.8	-167.7	-121.8	0	0	0	111.7	H134 A138 T141 A155 K159 N250	H134-F136 VanDerWaalsContact CE1-C 3.42Å; H134-F136 PolarHBondContact CE1-O 2.97Å; H134-F136 VanDerWaalsContact CE1-O 3.22Å; H134-F136 VanDerWaalsContact ND1-C 3.26Å; H134-F136 PolarHBondContact ND1-N 2.94Å; H134-F136 PolarHBondContact O-N 2.69Å; F136-A138 PolarHBondContact O-N 3.4Å; F136-T141 HydrophobicContact CD1-CG2 3.68Å; F136-T141 HydrophobicContact CE1-CG2 3.88Å; F136-T141 WeakPolarHBondContact O-CG2 3.05Å; F136-T141 PolarHBondContact O-OG1 2.87Å; F136-A155 HydrophobicContact CD1-CB 4.5Å; F136-K159 HydrophobicContact CB-CB 4.37Å; F136-K159 HydrophobicContact CD2-CD 4.08Å; F136-N250 HydrophobicContact CD2-CB 4.31Å; F136-N250 HydrophobicContact CE2-CB 3.51Å; F136-N250 WeakPolarHBondContact CE2-ND2 3.09Å; F136-N250 HydrophobicContact CZ-CB 4.04Å; F136-N250 WeakPolarHBondContact CZ-ND2 3.41Å
137	L	84.3	Confident	80.2	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.153	C	C	.	.			trans	-74.6	113.6	-178.2	-175.3	71	0	0	0	109.8	I120 L124 H134 V142 L153 Y253 S276 L277 L280	I120-L137 HydrophobicContact CG2-CD1 4.44Å; I120-L137 HydrophobicContact CG2-CD2 4.11Å; L124-L137 HydrophobicContact CD1-CD2 4.07Å; L124-L137 HydrophobicContact CD2-CD2 4.47Å; H134-L137 HydrophobicContact CB-CB 4.49Å; H134-L137 PolarHBondContact ND1-N 3.44Å; L137-V142 HydrophobicContact CD1-CG2 3.68Å; L137-L153 HydrophobicContact CD1-CD2 3.8Å; L137-Y253 WeakPolarHBondContact O-CB 3.25Å; L137-S276 WeakPolarHBondContact O-CB 3.29Å; L137-L277 HydrophobicContact CD2-CB 4.14Å; L137-L280 HydrophobicContact CD1-CD1 4.46Å; L137-L280 HydrophobicContact CD2-CD1 4.14Å; L137-L280 HydrophobicContact CG-CD1 3.86Å
138	A	82.6	Confident	78.8	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.162	C	C	.	.			trans	-145.4	172.6	-178.6	0	0	0	0	0	110.8	F136 E140 T141 V142 N250 Y253	F136-A138 PolarHBondContact O-N 3.4Å; A138-E140 HydrophobicContact CB-CG 4.24Å; A138-E140 PolarHBondContact O-N 2.96Å; A138-T141 PolarHBondContact N-OG1 3.01Å; A138-T141 PolarHBondContact O-N 3.47Å; A138-T141 PolarHBondContact O-OG1 3.14Å; A138-T141 VanDerWaalsContact O-OG1 3.09Å; A138-V142 WeakPolarHBondContact O-CG2 3.16Å; A138-V142 PolarHBondContact O-N 3.3Å; A138-N250 WeakPolarHBondContact CB-OD1 3.39Å; A138-Y253 HydrophobicContact CB-CD2 3.49Å; A138-Y253 VanDerWaalsContact CB-CD2 3.49Å; A138-Y253 HydrophobicContact CB-CE2 3.73Å; A138-Y253 HydrophobicContact CB-CG 4.28Å
139	G	84	Confident	77.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.9	-31.3	-178.6	0	0	0	0	0	113.1	F98	F98-G139 VanDerWaalsContact CB-O 3.29Å; F98-G139 WeakPolarHBondContact CB-O 3.32Å; F98-G139 PolarHBondContact N-O 3.03Å
140	E	82.7	Confident	77.3	Confident	79 Å²	79	29.7 Å²	29.7	37%	0.369	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-73.9	-23.9	175.4	58.4	-177.6	-141.7	0	0	114	Y99 A138 N250	Y99-E140 HydrophobicContact CE2-CB 4.01Å; Y99-E140 VanDerWaalsContact CE2-N 3.29Å; A138-E140 HydrophobicContact CB-CG 4.24Å; A138-E140 PolarHBondContact O-N 2.96Å; E140-N250 PolarHBondContact OE1-ND2 3.34Å; E140-N250 PolarHBondContact OE1-OD1 3.29Å
141	T	86.5	Confident	77.7	Confident	4 Å²	4	24.2 Å²	24.2	3%	0.025	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-94.2	-2.2	-180	71.8	0	0	0	0	112.9	H134 F136 A138 L154 A155	H134-T141 PolarHBondContact CE1-OG1 3.37Å; F136-T141 HydrophobicContact CD1-CG2 3.68Å; F136-T141 HydrophobicContact CE1-CG2 3.88Å; F136-T141 WeakPolarHBondContact O-CG2 3.05Å; F136-T141 PolarHBondContact O-OG1 2.87Å; A138-T141 PolarHBondContact N-OG1 3.01Å; A138-T141 PolarHBondContact O-N 3.47Å; A138-T141 PolarHBondContact O-OG1 3.14Å; A138-T141 VanDerWaalsContact O-OG1 3.09Å; T141-L154 WeakPolarHBondContact CB-O 2.9Å; T141-L154 PolarHBondContact O-N 3.15Å; T141-A155 HydrophobicContact CG2-CB 4.26Å
142	V	91.2	Very high	78.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104.6	174.3	176.4	0	0	0	0	107.5	T97 F98 I120 L137 A138 A151 L153 L280	T97-V142 CarbonylContact C-O 3.59Å; T97-V142 WeakPolarHBondContact CA-O 3.03Å; F98-V142 HydrophobicContact CB-CB 3.91Å; F98-V142 HydrophobicContact CB-CG1 4.05Å; F98-V142 HydrophobicContact CD2-CG1 4.19Å; F98-V142 PolarHBondContact N-O 3.27Å; I120-V142 HydrophobicContact CD1-CG1 3.95Å; I120-V142 HydrophobicContact CD1-CG2 4.22Å; I120-V142 HydrophobicContact CG1-CG1 4.14Å; L137-V142 HydrophobicContact CD1-CG2 3.68Å; A138-V142 WeakPolarHBondContact O-CG2 3.16Å; A138-V142 PolarHBondContact O-N 3.3Å; V142-A151 HydrophobicContact CG1-CB 3.9Å; V142-L153 HydrophobicContact CG2-CD2 3.99Å; V142-L280 HydrophobicContact CG2-CD1 4.12Å
143	L	90.7	Very high	79.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	155	-178.7	-53.5	-168.4	0	0	0	111.3	C74 H93 Y94 T97 A151 R152 L154	C74-L143 VanDerWaalsContact SG-CD1 3.59Å; H93-L143 HydrophobicContact CB-CD1 4.42Å; Y94-L143 HydrophobicContact CD2-CB 4.15Å; Y94-L143 HydrophobicContact CD2-CD1 4.28Å; T97-L143 HydrophobicContact CG2-CD2 3.82Å; L143-A151 CarbonylContact O-C 3.52Å; L143-A151 WeakPolarHBondContact O-CA 3.36Å; L143-R152 PolarHBondContact N-O 3.13Å; L143-R152 PolarHBondContact O-N 3.01Å; L143-L154 HydrophobicContact CD1-CB 4.2Å; L143-L154 HydrophobicContact CD1-CD2 4.09Å; L143-L154 HydrophobicContact CD2-CD2 4.48Å; L143-L154 HydrophobicContact CG-CB 4.14Å; L143-L154 HydrophobicContact CG-CD2 4.46Å
144	L	88.5	Confident	79.7	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.5	-177.4	-54.7	173	0	0	0	110.1	Y94 K96 T97 S100 L101 A151	Y94-L144 WeakPolarHBondContact CB-O 3.47Å; K96-L144 HydrophobicContact CB-CB 4.06Å; K96-L144 HydrophobicContact CB-CD1 4.49Å; K96-L144 PolarHBondContact O-N 2.79Å; T97-L144 VanDerWaalsContact O-CD1 3.32Å; T97-L144 WeakPolarHBondContact O-CD1 3.29Å; S100-L144 WeakPolarHBondContact OG-CD1 3.12Å; L101-L144 HydrophobicContact CD1-CD1 3.97Å; L101-L144 HydrophobicContact CD1-CD2 4.33Å; L101-L144 HydrophobicContact CD2-CD1 3.67Å; L101-L144 HydrophobicContact CG-CD1 3.58Å; L144-A151 HydrophobicContact CD2-CB 4.07Å
145	S	77.7	Confident	79.6	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	13%	0.127	C	C	.	.			trans	-64.8	159.5	171.5	45.2	0	0	0	0	111.8	D25 D147 V148 S150	D25-S145 WeakPolarHBondContact OD2-CB 3.32Å; S145-D147 WeakPolarHBondContact CB-OD1 3.41Å; S145-D147 PolarHBondContact O-N 3.26Å; S145-D147 PolarHBondContact OG-OD1 2.83Å; S145-V148 WeakPolarHBondContact O-CA 3.21Å; S145-V148 PolarHBondContact O-N 3.26Å; S145-S150 PolarHBondContact N-O 2.66Å; S145-S150 PolarHBondContact OG-O 2.96Å; S145-S150 PolarHBondContact OG-OG 3.34Å
146	D	69.4	Low	80.2	Confident	81 Å²	81	23.2 Å²	23.2	43%	0.433	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.1	179.9	-85.3	-20.9	0	0	0	112.2	D25 V148	D25-D146 HydrophobicContact CB-CB 4.02Å; D25-D146 PolarHBondContact OD2-N 3.2Å; D146-V148 VanDerWaalsContact O-CG2 3.24Å; D146-V148 WeakPolarHBondContact O-CG2 3.42Å; D146-V148 PolarHBondContact O-N 3Å; D146-V148 VanDerWaalsContact O-N 3.12Å
147	D	63.6	Low	79.9	Confident	102 Å²	102	21 Å²	21	55%	0.545	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-5.6	167.2	71.9	19.4	0	0	0	112.9	S145 S149	S145-D147 WeakPolarHBondContact CB-OD1 3.41Å; S145-D147 PolarHBondContact O-N 3.26Å; S145-D147 PolarHBondContact OG-OD1 2.83Å; D147-S149 VanDerWaalsContact CG-OG 3.22Å; D147-S149 WeakPolarHBondContact O-CB 3.34Å; D147-S149 PolarHBondContact O-N 3.29Å; D147-S149 PolarHBondContact OD1-N 2.74Å; D147-S149 PolarHBondContact OD1-OG 2.95Å; D147-S149 PolarHBondContact OD2-OG 3.22Å
148	V	54.7	Low	78.8	Confident	30 Å²	30	22.2 Å²	22.2	18%	0.182	12%	0.12	C	C	.	.	S	Bend	trans	47.7	16.9	-179.8	-148.7	0	0	0	0	113.9	R112 S145 D146	R112-V148 VanDerWaalsContact NH1-CB 3.3Å; R112-V148 PolarHBondContact NH1-O 2.75Å; R112-V148 VanDerWaalsContact NH1-O 3.13Å; S145-V148 WeakPolarHBondContact O-CA 3.21Å; S145-V148 PolarHBondContact O-N 3.26Å; D146-V148 VanDerWaalsContact O-CG2 3.24Å; D146-V148 WeakPolarHBondContact O-CG2 3.42Å; D146-V148 PolarHBondContact O-N 3Å; D146-V148 VanDerWaalsContact O-N 3.12Å
149	S	57.2	Low	77.2	Confident	52 Å²	52	23 Å²	23	36%	0.364	12%	0.123	S	C	.	.	S	Bend	trans	-103.1	-24.1	-168.9	74	0	0	0	0	112.5	D147	D147-S149 VanDerWaalsContact CG-OG 3.22Å; D147-S149 WeakPolarHBondContact O-CB 3.34Å; D147-S149 PolarHBondContact O-N 3.29Å; D147-S149 PolarHBondContact OD1-N 2.74Å; D147-S149 PolarHBondContact OD1-OG 2.95Å; D147-S149 PolarHBondContact OD2-OG 3.22Å
150	S	74.2	Confident	75.4	Confident	19 Å²	19	24.9 Å²	24.9	13%	0.133	13%	0.133	C	C	.	.			trans	-123.9	127.2	-178.1	74.3	0	0	0	0	111.9	S145	S145-S150 PolarHBondContact N-O 2.66Å; S145-S150 PolarHBondContact OG-O 2.96Å; S145-S150 PolarHBondContact OG-OG 3.34Å
151	A	88.6	Confident	73.1	Confident	1 Å²	1	22 Å²	22	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138.6	168.9	0	0	0	0	0	109.6	V116 S119 I120 V142 L143 L144	V116-A151 HydrophobicContact CG1-CB 4.34Å; S119-A151 WeakPolarHBondContact CB-O 3.32Å; S119-A151 PolarHBondContact OG-N 2.76Å; I120-A151 HydrophobicContact CG1-CB 4.08Å; V142-A151 HydrophobicContact CG1-CB 3.9Å; L143-A151 CarbonylContact O-C 3.52Å; L143-A151 WeakPolarHBondContact O-CA 3.36Å; L144-A151 HydrophobicContact CD2-CB 4.07Å
152	R	91.2	Very high	70.3	Confident	43 Å²	43	27.5 Å²	27.5	16%	0.162	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	179.1	-64.5	-169.2	179.9	-170.5	16.1	111.4	P71 Y72 E92 Y94 L143	P71-R152 WeakPolarHBondContact O-CG 3.49Å; P71-R152 PolarHBondContact O-NE 2.83Å; P71-R152 VanDerWaalsContact O-NE 3.11Å; Y72-R152 WeakPolarHBondContact O-CA 3.48Å; E92-R152 IonicContact OE1-CZ 2.99Å; E92-R152 IonicContact OE1-NH1 3.22Å; E92-R152 PolarHBondContact OE1-NH1 3.4Å; E92-R152 IonicContact OE2-NH1 2.68Å; E92-R152 PolarHBondContact OE2-NH1 3.13Å; Y94-R152 PolarHBondContact OH-NH1 3.19Å; Y94-R152 PolarHBondContact OH-NH2 3.23Å; L143-R152 PolarHBondContact N-O 3.13Å; L143-R152 PolarHBondContact O-N 3.01Å
153	L	91.8	Very high	67.3	Low	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.8	-177.6	-47.9	-177.7	0	0	0	110.9	Y72 L73 C74 I120 L124 L127 L137 V142 Y156	Y72-L153 PolarHBondContact O-N 3.2Å; L73-L153 HydrophobicContact CD2-CB 3.8Å; L73-L153 HydrophobicContact CD2-CD1 4.1Å; L73-L153 HydrophobicContact CD2-CG 4.16Å; C74-L153 PolarHBondContact N-O 2.91Å; I120-L153 HydrophobicContact CB-CD2 4.38Å; I120-L153 HydrophobicContact CG1-CD2 4.14Å; I120-L153 HydrophobicContact CG2-CD2 4.02Å; L124-L153 HydrophobicContact CD2-CD1 3.86Å; L124-L153 HydrophobicContact CG-CD1 4.05Å; L127-L153 HydrophobicContact CD1-CD1 4.45Å; L137-L153 HydrophobicContact CD1-CD2 3.8Å; V142-L153 HydrophobicContact CG2-CD2 3.99Å; L153-Y156 WeakPolarHBondContact O-CD1 3.44Å
154	L	87.6	Confident	64.3	Low	14 Å²	14	33.9 Å²	33.9	7%	0.073	18%	0.179	C	C	.	.			trans	-104.6	158.8	174.7	-178.5	69.2	0	0	0	110	C74 S91 H134 T141 L143 Y156	C74-L154 HydrophobicContact CB-CB 4.31Å; C74-L154 HydrophobicContact CB-CD1 3.87Å; S91-L154 WeakPolarHBondContact OG-CD1 3.38Å; H134-L154 PolarHBondContact CE1-O 3.03Å; H134-L154 VanDerWaalsContact CE1-O 3.27Å; H134-L154 PolarHBondContact NE2-O 2.82Å; H134-L154 VanDerWaalsContact NE2-O 3.08Å; T141-L154 WeakPolarHBondContact CB-O 2.9Å; T141-L154 PolarHBondContact O-N 3.15Å; L143-L154 HydrophobicContact CD1-CB 4.2Å; L143-L154 HydrophobicContact CD1-CD2 4.09Å; L143-L154 HydrophobicContact CD2-CD2 4.48Å; L143-L154 HydrophobicContact CG-CB 4.14Å; L143-L154 HydrophobicContact CG-CD2 4.46Å; L154-Y156 PolarHBondContact O-N 3.4Å
155	A	79.2	Confident	61.6	Low	6 Å²	6	38.5 Å²	38.5	5%	0.05	21%	0.21	C	C	.	.	S	Bend	trans	60	22.8	168.8	0	0	0	0	0	114.3	Y76 F136 T141 F158	Y76-A155 WeakPolarHBondContact OH-CA 3.33Å; F136-A155 HydrophobicContact CD1-CB 4.5Å; T141-A155 HydrophobicContact CG2-CB 4.26Å; A155-F158 HydrophobicContact CB-CD2 3.59Å; A155-F158 HydrophobicContact CB-CE2 3.79Å; A155-F158 HydrophobicContact CB-CG 3.98Å; A155-F158 HydrophobicContact CB-CZ 4.36Å; A155-F158 WeakPolarHBondContact O-CB 3.48Å; A155-F158 WeakPolarHBondContact O-CG 3.44Å; A155-F158 PolarHBondContact O-N 3.2Å
156	Y	83.2	Confident	59.4	Low	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	138.8	171.5	53.4	-93.9	0	0	0	109.8	L65 L68 L73 C74 Y76 L127 L153 L154	L65-Y156 HydrophobicContact CD2-CD2 4.1Å; L65-Y156 HydrophobicContact CD2-CE2 3.92Å; L68-Y156 HydrophobicContact CD1-CD2 4.41Å; L68-Y156 HydrophobicContact CD1-CE2 3.69Å; L73-Y156 HydrophobicContact CB-CE1 4.01Å; L73-Y156 HydrophobicContact CD1-CE1 4.36Å; L73-Y156 HydrophobicContact CD2-CD1 4.21Å; L73-Y156 HydrophobicContact CD2-CE1 4.26Å; L73-Y156 HydrophobicContact CG-CE1 4.44Å; C74-Y156 WeakPolarHBondContact O-CE1 3.25Å; C74-Y156 PolarHBondContact O-OH 2.76Å; Y76-Y156 HydrophobicContact CD2-CE1 4.46Å; Y76-Y156 AromaticContact CD2-CE2 3.64Å; Y76-Y156 HydrophobicContact CD2-CE2 3.64Å; Y76-Y156 AromaticContact CD2-CZ 3.57Å; Y76-Y156 WeakPolarHBondContact CD2-OH 3.23Å; Y76-Y156 HydrophobicContact CE2-CD1 4.44Å; Y76-Y156 AromaticContact CE2-CD2 3.68Å; Y76-Y156 HydrophobicContact CE2-CD2 3.68Å; Y76-Y156 HydrophobicContact CE2-CE1 4Å; Y76-Y156 AromaticContact CE2-CE2 3.15Å; Y76-Y156 HydrophobicContact CE2-CE2 3.15Å; Y76-Y156 HydrophobicContact CE2-CG 4.3Å; Y76-Y156 AromaticContact CE2-CZ 3.34Å; Y76-Y156 PolarHBondContact OH-N 3.44Å; Y76-Y156 PolarHBondContact OH-O 3.01Å; L127-Y156 HydrophobicContact CD1-CG 4.14Å; L127-Y156 HydrophobicContact CD2-CD2 3.83Å; L127-Y156 HydrophobicContact CD2-CE2 4.23Å; L127-Y156 HydrophobicContact CD2-CG 4.17Å; L153-Y156 WeakPolarHBondContact O-CD1 3.44Å; L154-Y156 PolarHBondContact O-N 3.4Å
157	S	70.3	Confident	57.5	Low	4 Å²	4	48.7 Å²	48.7	3%	0.028	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	12.5	-177.6	-160.3	0	0	0	0	115.9	L171 P172	S157-L171 PolarHBondContact OG-O 2.85Å; S157-L171 VanDerWaalsContact OG-O 3.09Å; S157-P172 WeakPolarHBondContact OG-CA 3.47Å
158	F	60.4	Low	55.9	Low	26 Å²	26	52 Å²	52	11%	0.114	26%	0.26	C	S	.	.			trans	-81	-15.1	-179.3	-82.5	21.6	0	0	0	115.4	L33 Y76 V89 A155 S174	L33-F158 HydrophobicContact CD2-CD2 3.92Å; L33-F158 HydrophobicContact CD2-CE2 4.13Å; L33-F158 HydrophobicContact CD2-CG 4.49Å; Y76-F158 AromaticContact CE1-CE1 3.73Å; Y76-F158 HydrophobicContact CE1-CE1 3.73Å; Y76-F158 AromaticContact CE1-CZ 3.96Å; Y76-F158 HydrophobicContact CE1-CZ 3.96Å; Y76-F158 AromaticContact CZ-CE1 3.6Å; Y76-F158 WeakPolarHBondContact OH-CD1 3.48Å; Y76-F158 WeakPolarHBondContact OH-CE1 3.37Å; V89-F158 HydrophobicContact CB-CZ 4.08Å; V89-F158 HydrophobicContact CG1-CE1 4.34Å; V89-F158 HydrophobicContact CG1-CZ 3.99Å; V89-F158 HydrophobicContact CG2-CZ 4.21Å; A155-F158 HydrophobicContact CB-CD2 3.59Å; A155-F158 HydrophobicContact CB-CE2 3.79Å; A155-F158 HydrophobicContact CB-CG 3.98Å; A155-F158 HydrophobicContact CB-CZ 4.36Å; A155-F158 WeakPolarHBondContact O-CB 3.48Å; A155-F158 WeakPolarHBondContact O-CG 3.44Å; A155-F158 PolarHBondContact O-N 3.2Å; F158-S174 VanDerWaalsContact C-OG 3.26Å; F158-S174 WeakPolarHBondContact O-CB 3.49Å; F158-S174 PolarHBondContact O-OG 3.36Å
159	K	49	Very low	54.6	Low	19 Å²	19	59 Å²	59	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-122.7	126.7	-174.5	-161.3	175	-176.4	-179	0	111.4	T135 F136 F258	T135-K159 PolarHBondContact OG1-O 3.47Å; F136-K159 HydrophobicContact CB-CB 4.37Å; F136-K159 HydrophobicContact CD2-CD 4.08Å; K159-F258 HydrophobicContact CD-CZ 4.49Å
160	I	46.2	Very low	53.5	Low	38 Å²	38	61.1 Å²	61.1	20%	0.195	29%	0.288	C	S	.	.			trans	-49.6	136.7	177.7	-71.1	177.2	0	0	0	111.9	S174 F176 C177	I160-S174 WeakPolarHBondContact CG1-O 2.99Å; I160-F176 VanDerWaalsContact CD1-C 3.45Å; I160-C177 HydrophobicContact CD1-CB 4.23Å; I160-C177 VanDerWaalsContact CD1-SG 3.57Å
161	V	33.3	Very low	51.7	Low	18 Å²	18	62.2 Å²	62.2	11%	0.109	29%	0.292	C	S	.	.			trans	-127.7	126.6	137.9	174.6	0	0	0	0	107.3	T135 I163 F258 V268	T135-V161 HydrophobicContact CG2-CG2 4.09Å; V161-I163 PolarHBondContact O-N 2.82Å; V161-F258 HydrophobicContact CG2-CE2 4.33Å; V161-V268 HydrophobicContact CB-CB 3.92Å; V161-V268 HydrophobicContact CB-CG2 3.96Å; V161-V268 HydrophobicContact CG1-CB 3.41Å; V161-V268 VanDerWaalsContact CG1-CB 3.41Å; V161-V268 HydrophobicContact CG1-CG2 3.26Å; V161-V268 HydrophobicContact CG2-CB 3.47Å; V161-V268 VanDerWaalsContact CG2-CB 3.47Å; V161-V268 HydrophobicContact CG2-CG1 4.06Å; V161-V268 HydrophobicContact CG2-CG2 3.5Å
162	Q	29.3	Very low	49.5	Very low	121 Å²	121	63.5 Å²	63.5	57%	0.565	30%	0.3	S	S	*	.			trans	-61	107.3	170.2	-109.7	177.9	-31.9	0	0	108.7	Y263 G264	Q162-Y263 PolarHBondContact OE1-O 2.9Å; Q162-G264 WeakPolarHBondContact CB-O 3.39Å
163	I	28.4	Very low	47	Very low	48 Å²	48	61.5 Å²	61.5	25%	0.246	29%	0.293	C	S	.	.			trans	-91	136.4	169.8	-61.3	172.7	0	0	0	107	Y133 V161	Y133-I163 HydrophobicContact CE2-CD1 4.46Å; V161-I163 PolarHBondContact O-N 2.82Å
164	N	26.8	Very low	44.7	Very low	85 Å²	85	61.8 Å²	61.8	46%	0.455	30%	0.295	S	S	.	.			trans	-16	134.9	-178.6	-103.5	-22.4	0	0	0	117.1	E166 H167	N164-E166 PolarHBondContact O-N 3.17Å; N164-H167 CarbonylContact O-C 3.56Å; N164-H167 PolarHBondContact O-N 3.4Å
165	P	32.6	Very low	42	Very low	101 Å²	101	65.6 Å²	65.6	66%	0.656	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.7	176.5	24.4	-32.2	0	0	0	114.3	Y168	P165-Y168 HydrophobicContact CB-CE2 4.23Å; P165-Y168 WeakPolarHBondContact O-CD2 3.37Å; P165-Y168 WeakPolarHBondContact O-CE2 3.42Å
166	E	30.7	Very low	39.7	Very low	170 Å²	170	66.2 Å²	66.2	79%	0.794	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.1	175.1	-63.3	-167.9	172.4	0	0	113.7	N164	N164-E166 PolarHBondContact O-N 3.17Å
167	H	30.2	Very low	37.2	Very low	125 Å²	125	69.2 Å²	69.2	58%	0.579	33%	0.334	S	S	*	.			trans	-131.7	54.3	-176	-74.2	52	0	0	0	110.6	N164 W169	N164-H167 CarbonylContact O-C 3.56Å; N164-H167 PolarHBondContact O-N 3.4Å; H167-W169 PolarHBondContact O-N 2.96Å
168	Y	29.9	Very low	35.4	Very low	172 Å²	172	71.8 Å²	71.8	68%	0.675	35%	0.35	S	S	*	.			trans	-57.3	10	177.7	-100.4	-87.3	0	0	0	116	P165	P165-Y168 HydrophobicContact CB-CE2 4.23Å; P165-Y168 WeakPolarHBondContact O-CD2 3.37Å; P165-Y168 WeakPolarHBondContact O-CE2 3.42Å
169	W	27.2	Very low	33.8	Very low	176 Å²	176	73.2 Å²	73.2	67%	0.667	36%	0.361	S	S	*	.			trans	-115.6	33.8	-159.4	-59.9	112.3	0	0	0	115.6	H167 Q507	H167-W169 PolarHBondContact O-N 2.96Å; W169-Q507 VanDerWaalsContact CH2-CD 3.46Å; W169-Q507 VanDerWaalsContact CH2-NE2 3.34Å
170	Q	32.9	Very low	33.1	Very low	97 Å²	97	72.6 Å²	72.6	45%	0.453	36%	0.359	S	S	.	.	S	Bend	trans	-138.3	86	171.5	-69.6	-173	-21.7	0	0	111.5	P172	Q170-P172 WeakPolarHBondContact O-CD 3.34Å
171	L	38	Very low	32.5	Very low	43 Å²	43	72 Å²	72	23%	0.225	36%	0.357	C	S	.	.			trans	14.6	102	157.9	-68.6	138.5	0	0	0	118.2	R61 T64 S157	R61-L171 HydrophobicContact CB-CD2 3.99Å; R61-L171 VanDerWaalsContact O-CD2 3.24Å; R61-L171 WeakPolarHBondContact O-CD2 3.49Å; T64-L171 HydrophobicContact CG2-CD1 3.36Å; T64-L171 HydrophobicContact CG2-CD2 4.2Å; T64-L171 HydrophobicContact CG2-CG 4.41Å; S157-L171 PolarHBondContact OG-O 2.85Å; S157-L171 VanDerWaalsContact OG-O 3.09Å
172	P	41.8	Very low	32.7	Very low	28 Å²	28	72 Å²	72	18%	0.182	36%	0.357	C	S	.	.			trans	-125.6	129.4	141.7	9.7	12.4	0	0	0	111.7	S157 Q170 S174	S157-P172 WeakPolarHBondContact OG-CA 3.47Å; Q170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-S174 PolarHBondContact O-N 3.45Å
173	I	38.4	Very low	32.9	Very low	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.336	C	S	.	.	S	Bend	trans	-69.9	76.4	156.7	-64.5	164.4	0	0	0	106.2	L33 I58 F62 L65	L33-I173 HydrophobicContact CD1-CG2 3.91Å; I58-I173 HydrophobicContact CB-CG2 4.33Å; I58-I173 HydrophobicContact CD1-CG2 4.35Å; I58-I173 HydrophobicContact CG1-CG2 4.29Å; I58-I173 HydrophobicContact CG2-CB 3.98Å; I58-I173 HydrophobicContact CG2-CG1 4.05Å; I58-I173 HydrophobicContact CG2-CG2 3.21Å; F62-I173 HydrophobicContact CB-CD1 4.35Å; F62-I173 HydrophobicContact CD2-CD1 3.5Å; F62-I173 HydrophobicContact CE2-CD1 4.29Å; F62-I173 HydrophobicContact CG-CD1 4.4Å; L65-I173 HydrophobicContact CB-CD1 4.47Å; L65-I173 HydrophobicContact CD1-CB 4.41Å; L65-I173 HydrophobicContact CD1-CD1 3.15Å; L65-I173 HydrophobicContact CD1-CG1 3.52Å; L65-I173 HydrophobicContact CG-CD1 4.39Å
174	S	43.2	Very low	33.2	Very low	6 Å²	6	71.3 Å²	71.3	4%	0.042	36%	0.357	C	S	.	.			trans	169.4	117.5	159.8	42.9	0	0	0	0	109.8	F158 I160 P172	F158-S174 VanDerWaalsContact C-OG 3.26Å; F158-S174 WeakPolarHBondContact O-CB 3.49Å; F158-S174 PolarHBondContact O-OG 3.36Å; I160-S174 WeakPolarHBondContact CG1-O 2.99Å; P172-S174 PolarHBondContact O-N 3.45Å
175	E	30.8	Very low	33.5	Very low	93 Å²	93	69.2 Å²	69.2	44%	0.435	35%	0.345	S	S	.	.			trans	-88.3	40.8	144	-61.8	174.7	178.7	0	0	109.8	L54 C177	L54-E175 HydrophobicContact CD1-CB 3.49Å; L54-E175 VanDerWaalsContact CD1-CB 3.49Å; L54-E175 VanDerWaalsContact CD1-CD 3.45Å; L54-E175 HydrophobicContact CD1-CG 3.48Å; L54-E175 VanDerWaalsContact CD1-CG 3.48Å; L54-E175 WeakPolarHBondContact CD1-OE2 3.24Å; L54-E175 HydrophobicContact CD2-CB 3.67Å; L54-E175 HydrophobicContact CG-CB 4.21Å; E175-C177 PolarHBondContact O-N 3.31Å
176	F	31.5	Very low	33.4	Very low	19 Å²	19	65.2 Å²	65.2	8%	0.083	32%	0.319	C	S	.	.			trans	-98.9	91.6	-179.9	-65.2	-132.4	0	0	0	109	L33 V34 S35 L54 I58 I160 V178	L33-F176 HydrophobicContact CB-CE1 3.88Å; L33-F176 HydrophobicContact CB-CZ 4.2Å; V34-F176 WeakPolarHBondContact O-CD1 3.38Å; V34-F176 WeakPolarHBondContact O-CE1 3.29Å; S35-F176 VanDerWaalsContact CA-CZ 3.44Å; S35-F176 VanDerWaalsContact N-CZ 3.31Å; L54-F176 HydrophobicContact CD2-CD2 3.95Å; L54-F176 HydrophobicContact CD2-CE2 3.64Å; L54-F176 HydrophobicContact CG-CE2 4.19Å; I58-F176 HydrophobicContact CD1-CD2 4.16Å; I58-F176 HydrophobicContact CD1-CE2 3.43Å; I58-F176 VanDerWaalsContact CD1-CE2 3.43Å; I58-F176 HydrophobicContact CD1-CZ 4.25Å; I160-F176 VanDerWaalsContact CD1-C 3.45Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.35Å
177	C	30.6	Very low	33.5	Very low	64 Å²	64	64.2 Å²	64.2	43%	0.432	31%	0.308	S	S	.	.			trans	-70.6	90.3	167.1	-92.3	0	0	0	0	108.7	R36 I160 E175 T179	R36-C177 WeakPolarHBondContact CD-O 2.85Å; R36-C177 PolarHBondContact NH1-O 2.9Å; I160-C177 HydrophobicContact CD1-CB 4.23Å; I160-C177 VanDerWaalsContact CD1-SG 3.57Å; E175-C177 PolarHBondContact O-N 3.31Å; C177-T179 PolarHBondContact O-N 2.81Å
178	V	31.2	Very low	33.9	Very low	57 Å²	57	60.4 Å²	60.4	35%	0.345	30%	0.298	S	S	.	.			trans	-76.2	76	150.4	-170.3	0	0	0	0	105.7	F176 P180 Y248	F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.35Å; V178-P180 WeakPolarHBondContact O-CD 3.45Å; V178-P180 VanDerWaalsContact O-N 3.13Å; V178-Y248 HydrophobicContact CG1-CE1 3.84Å
179	T	28.6	Very low	34.1	Very low	57 Å²	57	54.3 Å²	54.3	35%	0.35	28%	0.279	S	S	.	.			trans	-59.7	113.6	163	26.7	0	0	0	0	106.1	R36 C177	R36-T179 PolarHBondContact NH1-OG1 3.48Å; C177-T179 PolarHBondContact O-N 2.81Å
180	P	33.2	Very low	34.4	Very low	6 Å²	6	50.3 Å²	50.3	4%	0.039	27%	0.27	C	S	.	.			trans	-55.5	130.9	172.4	-19.8	32.5	0	0	0	106.2	V178 V182 L183 F258 Y259	V178-P180 WeakPolarHBondContact O-CD 3.45Å; V178-P180 VanDerWaalsContact O-N 3.13Å; P180-V182 HydrophobicContact CB-CB 4.27Å; P180-V182 HydrophobicContact CB-CG2 4.37Å; P180-V182 PolarHBondContact O-N 3.49Å; P180-L183 WeakPolarHBondContact O-CB 3.31Å; P180-L183 PolarHBondContact O-N 2.87Å; P180-F258 HydrophobicContact CG-CE1 4.34Å; P180-Y259 HydrophobicContact CB-CE1 4.45Å; P180-Y259 HydrophobicContact CG-CE1 4.32Å
181	P	34.7	Very low	34.6	Very low	25 Å²	25	48.4 Å²	48.4	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-54.5	-19.6	174.4	-24.8	33.1	0	0	0	112.9	L183 L184 I185 M244	P181-L183 PolarHBondContact O-N 3.11Å; P181-L184 WeakPolarHBondContact O-CA 3.41Å; P181-L184 VanDerWaalsContact O-CB 3.24Å; P181-L184 WeakPolarHBondContact O-CB 3.4Å; P181-L184 PolarHBondContact O-N 2.88Å; P181-I185 PolarHBondContact O-N 3.35Å; P181-I185 VanDerWaalsContact O-N 3.08Å; P181-M244 HydrophobicContact CB-CE 3.21Å; P181-M244 HydrophobicContact CB-CG 4.39Å; P181-M244 HydrophobicContact CB-SD 3.43Å; P181-M244 WeakPolarHBondContact CB-SD 3.5Å; P181-M244 HydrophobicContact CG-CE 3.46Å; P181-M244 VanDerWaalsContact CG-CE 3.46Å; P181-M244 HydrophobicContact CG-CG 4.13Å; P181-M244 HydrophobicContact CG-SD 3.82Å
182	V	36	Very low	34.4	Very low	18 Å²	18	51.2 Å²	51.2	11%	0.109	28%	0.283	C	S	.	.	H	α-helix	trans	-53.1	-31.4	168.8	-167	0	0	0	0	112.3	P180 L184 I185 C186 V300	P180-V182 HydrophobicContact CB-CB 4.27Å; P180-V182 HydrophobicContact CB-CG2 4.37Å; P180-V182 PolarHBondContact O-N 3.49Å; V182-L184 PolarHBondContact O-N 2.81Å; V182-I185 CarbonylContact O-C 3.56Å; V182-I185 WeakPolarHBondContact O-CA 3.43Å; V182-I185 WeakPolarHBondContact O-CB 3.49Å; V182-I185 PolarHBondContact O-N 2.66Å; V182-I185 VanDerWaalsContact O-N 3.17Å; V182-C186 PolarHBondContact O-N 3.24Å; V182-C186 PolarHBondContact O-SG 3.29Å; V182-V300 HydrophobicContact CB-CG2 4.33Å; V182-V300 HydrophobicContact CG1-CB 3.51Å; V182-V300 HydrophobicContact CG1-CG1 4.39Å; V182-V300 HydrophobicContact CG1-CG2 3.21Å
183	L	33.2	Very low	33.8	Very low	24 Å²	24	55 Å²	55	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-31.9	174.8	-142.8	112.4	0	0	0	112.9	P180 P181 I185 C186 R187 Y263	P180-L183 WeakPolarHBondContact O-CB 3.31Å; P180-L183 PolarHBondContact O-N 2.87Å; P181-L183 PolarHBondContact O-N 3.11Å; L183-I185 VanDerWaalsContact C-N 3.34Å; L183-C186 PolarHBondContact O-N 2.77Å; L183-R187 PolarHBondContact O-N 2.96Å; L183-Y263 HydrophobicContact CD2-CE1 4.28Å
184	L	34.7	Very low	33.5	Very low	131 Å²	131	62.3 Å²	62.3	69%	0.686	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-39.2	169.9	-101.6	152.4	0	0	0	110.4	P181 V182 R187 A188	P181-L184 WeakPolarHBondContact O-CA 3.41Å; P181-L184 VanDerWaalsContact O-CB 3.24Å; P181-L184 WeakPolarHBondContact O-CB 3.4Å; P181-L184 PolarHBondContact O-N 2.88Å; V182-L184 PolarHBondContact O-N 2.81Å; L184-R187 PolarHBondContact O-N 3.24Å; L184-A188 PolarHBondContact O-N 2.85Å
185	I	33.4	Very low	33.1	Very low	41 Å²	41	69.5 Å²	69.5	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-43.9	173.3	-59.7	173.9	0	0	0	110.2	P181 V182 L183 R187 A188 V189	P181-I185 PolarHBondContact O-N 3.35Å; P181-I185 VanDerWaalsContact O-N 3.08Å; V182-I185 CarbonylContact O-C 3.56Å; V182-I185 WeakPolarHBondContact O-CA 3.43Å; V182-I185 WeakPolarHBondContact O-CB 3.49Å; V182-I185 PolarHBondContact O-N 2.66Å; V182-I185 VanDerWaalsContact O-N 3.17Å; L183-I185 VanDerWaalsContact C-N 3.34Å; I185-R187 VanDerWaalsContact C-N 3.29Å; I185-R187 PolarHBondContact O-N 3.47Å; I185-A188 CarbonylContact O-C 3.03Å; I185-A188 WeakPolarHBondContact O-CA 3.2Å; I185-A188 WeakPolarHBondContact O-CB 3.32Å; I185-A188 PolarHBondContact O-N 3.26Å; I185-V189 HydrophobicContact CG2-CG2 3.91Å; I185-V189 WeakPolarHBondContact O-CB 3.47Å; I185-V189 VanDerWaalsContact O-CG2 3.31Å; I185-V189 WeakPolarHBondContact O-CG2 3.19Å; I185-V189 PolarHBondContact O-N 3.31Å
186	C	31.7	Very low	33.1	Very low	16 Å²	16	68.9 Å²	68.9	11%	0.108	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-38.5	175.8	-67.1	0	0	0	0	111.9	V182 L183 V189 I190 V300	V182-C186 PolarHBondContact O-N 3.24Å; V182-C186 PolarHBondContact O-SG 3.29Å; L183-C186 PolarHBondContact O-N 2.77Å; C186-V189 PolarHBondContact O-N 3.02Å; C186-I190 HydrophobicContact CB-CD1 4.4Å; C186-I190 WeakPolarHBondContact O-CA 3.45Å; C186-I190 WeakPolarHBondContact O-CB 3.24Å; C186-I190 WeakPolarHBondContact O-CD1 3.11Å; C186-I190 WeakPolarHBondContact O-CG1 3.46Å; C186-I190 PolarHBondContact O-N 3.32Å; C186-V300 WeakPolarHBondContact SG-CG1 3.45Å
187	R	33	Very low	33	Very low	149 Å²	149	72.3 Å²	72.3	56%	0.562	40%	0.4	S	S	*	.	H	α-helix	trans	-64.7	-42	171.7	-104.1	-163.3	176.8	153.6	5.1	112.3	L183 L184 I185 S191 Y263	L183-R187 PolarHBondContact O-N 2.96Å; L184-R187 PolarHBondContact O-N 3.24Å; I185-R187 VanDerWaalsContact C-N 3.29Å; I185-R187 PolarHBondContact O-N 3.47Å; R187-S191 WeakPolarHBondContact O-CA 3.4Å; R187-S191 WeakPolarHBondContact O-CB 3.47Å; R187-S191 PolarHBondContact O-N 3.14Å; R187-Y263 WeakPolarHBondContact CD-OH 3.35Å; R187-Y263 WeakPolarHBondContact CG-OH 3.35Å; R187-Y263 VanDerWaalsContact NE-CZ 3.33Å; R187-Y263 PolarHBondContact NE-OH 3.44Å; R187-Y263 PolarHBondContact NH1-OH 3.18Å; R187-Y263 VanDerWaalsContact NH1-OH 3.09Å; R187-Y263 PolarHBondContact NH2-OH 3.1Å
188	A	37	Very low	32.8	Very low	45 Å²	45	75.4 Å²	75.4	37%	0.372	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-43.9	176.5	0	0	0	0	0	111.4	L184 I185 N192	L184-A188 PolarHBondContact O-N 2.85Å; I185-A188 CarbonylContact O-C 3.03Å; I185-A188 WeakPolarHBondContact O-CA 3.2Å; I185-A188 WeakPolarHBondContact O-CB 3.32Å; I185-A188 PolarHBondContact O-N 3.26Å; A188-N192 WeakPolarHBondContact O-CB 3.34Å; A188-N192 PolarHBondContact O-N 2.75Å; A188-N192 PolarHBondContact O-ND2 2.72Å; A188-N192 VanDerWaalsContact O-ND2 3.14Å
189	V	34.8	Very low	32.5	Very low	44 Å²	44	81.9 Å²	81.9	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-46.8	179.4	174.4	0	0	0	0	111.1	I185 C186 N192 L193	I185-V189 HydrophobicContact CG2-CG2 3.91Å; I185-V189 WeakPolarHBondContact O-CB 3.47Å; I185-V189 VanDerWaalsContact O-CG2 3.31Å; I185-V189 WeakPolarHBondContact O-CG2 3.19Å; I185-V189 PolarHBondContact O-N 3.31Å; C186-V189 PolarHBondContact O-N 3.02Å; V189-N192 CarbonylContact O-C 3.37Å; V189-N192 PolarHBondContact O-N 2.94Å; V189-L193 HydrophobicContact CG1-CD1 3.73Å; V189-L193 HydrophobicContact CG1-CG 4.28Å; V189-L193 WeakPolarHBondContact O-CB 3.21Å; V189-L193 VanDerWaalsContact O-CG 3.25Å; V189-L193 WeakPolarHBondContact O-CG 3.45Å; V189-L193 PolarHBondContact O-N 3.26Å
190	I	32.9	Very low	32.3	Very low	92 Å²	92	84.6 Å²	84.6	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-67.9	-36.9	176.9	-65.8	167.5	0	0	0	111	C186 N192 L193 K194	C186-I190 HydrophobicContact CB-CD1 4.4Å; C186-I190 WeakPolarHBondContact O-CA 3.45Å; C186-I190 WeakPolarHBondContact O-CB 3.24Å; C186-I190 WeakPolarHBondContact O-CD1 3.11Å; C186-I190 WeakPolarHBondContact O-CG1 3.46Å; C186-I190 PolarHBondContact O-N 3.32Å; I190-N192 VanDerWaalsContact C-N 3.34Å; I190-L193 PolarHBondContact O-N 3.27Å; I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 WeakPolarHBondContact O-CG 3.45Å; I190-K194 PolarHBondContact O-N 3.48Å
191	S	37.4	Very low	31.9	Very low	58 Å²	58	93.5 Å²	93.5	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-39.8	172.7	-175.2	0	0	0	0	111.2	R187 K195	R187-S191 WeakPolarHBondContact O-CA 3.4Å; R187-S191 WeakPolarHBondContact O-CB 3.47Å; R187-S191 PolarHBondContact O-N 3.14Å; S191-K195 WeakPolarHBondContact O-CG 3.43Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.11Å
192	N	34.3	Very low	31.4	Very low	102 Å²	102	100.2 Å²	100.2	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-70.2	-36.4	174.8	-74.4	-23.6	0	0	0	112.3	A188 V189 I190 K195 A196	A188-N192 WeakPolarHBondContact O-CB 3.34Å; A188-N192 PolarHBondContact O-N 2.75Å; A188-N192 PolarHBondContact O-ND2 2.72Å; A188-N192 VanDerWaalsContact O-ND2 3.14Å; V189-N192 CarbonylContact O-C 3.37Å; V189-N192 PolarHBondContact O-N 2.94Å; I190-N192 VanDerWaalsContact C-N 3.34Å; N192-K195 CarbonylContact O-C 3.58Å; N192-K195 WeakPolarHBondContact O-CB 3.3Å; N192-K195 PolarHBondContact O-N 3.37Å; N192-A196 WeakPolarHBondContact O-CB 3.37Å; N192-A196 PolarHBondContact O-N 3.17Å
193	L	29.5	Very low	31.1	Very low	108 Å²	108	104.5 Å²	104.5	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-71	-39.5	176.5	-75.1	169.4	0	0	0	111.8	V189 I190 K195 A196	V189-L193 HydrophobicContact CG1-CD1 3.73Å; V189-L193 HydrophobicContact CG1-CG 4.28Å; V189-L193 WeakPolarHBondContact O-CB 3.21Å; V189-L193 VanDerWaalsContact O-CG 3.25Å; V189-L193 WeakPolarHBondContact O-CG 3.45Å; V189-L193 PolarHBondContact O-N 3.26Å; I190-L193 PolarHBondContact O-N 3.27Å; L193-K195 PolarHBondContact O-N 2.86Å; L193-A196 WeakPolarHBondContact O-CB 3.12Å; L193-A196 PolarHBondContact O-N 2.84Å
194	K	31.9	Very low	30.7	Very low	154 Å²	154	110.6 Å²	110.6	67%	0.67	59%	0.589	S	S	*	*	H	α-helix	trans	-63.9	-29.4	171	-79.7	-172.5	177.3	-177.3	0	112.2	I190 A196	I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 WeakPolarHBondContact O-CG 3.45Å; I190-K194 PolarHBondContact O-N 3.48Å; K194-A196 VanDerWaalsContact C-N 3.35Å
195	K	34.6	Very low	30.1	Very low	157 Å²	157	110.9 Å²	110.9	68%	0.683	60%	0.596	S	S	*	*	H	α-helix	trans	-76.1	-22.3	170.9	-74.4	176.9	-177.8	179.1	0	113.1	S191 N192 L193	S191-K195 WeakPolarHBondContact O-CG 3.43Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.11Å; N192-K195 CarbonylContact O-C 3.58Å; N192-K195 WeakPolarHBondContact O-CB 3.3Å; N192-K195 PolarHBondContact O-N 3.37Å; L193-K195 PolarHBondContact O-N 2.86Å
196	A	31.4	Very low	29.6	Very low	80 Å²	80	115 Å²	115	66%	0.661	63%	0.627	S	S	*	*	H	α-helix	trans	-82.8	-9.2	-176.4	0	0	0	0	0	114.3	N192 L193 K194	N192-A196 WeakPolarHBondContact O-CB 3.37Å; N192-A196 PolarHBondContact O-N 3.17Å; L193-A196 WeakPolarHBondContact O-CB 3.12Å; L193-A196 PolarHBondContact O-N 2.84Å; K194-A196 VanDerWaalsContact C-N 3.35Å
197	S	28.1	Very low	29.3	Very low	90 Å²	90	122.1 Å²	122.1	63%	0.629	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	37	-173.7	66.9	0	0	0	0	114.9
198	I	27.1	Very low	29	Very low	129 Å²	129	118.2 Å²	118.2	66%	0.662	67%	0.669	S	S	*	*			trans	-117.7	89.2	165.1	-56.5	178.6	0	0	0	107.7	T200	I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 3.43Å
199	H	25.1	Very low	28.7	Very low	193 Å²	193	124 Å²	124	89%	0.894	69%	0.694	S	S	*	*			trans	-63.3	87.5	165.5	-81.9	-70	0	0	0	109.6
200	T	25.5	Very low	28.5	Very low	114 Å²	114	126.3 Å²	126.3	70%	0.699	71%	0.712	S	S	*	*			trans	-144.2	123.1	155.5	41.8	0	0	0	0	109.9	I198 L202	I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 3.43Å; T200-L202 PolarHBondContact O-N 3.3Å
201	H	23.9	Very low	28.5	Very low	194 Å²	194	130.2 Å²	130.2	90%	0.898	73%	0.728	S	S	*	*			trans	-35.6	115.7	179.4	-69.1	-89.7	0	0	0	114.9
202	L	23.3	Very low	28.1	Very low	165 Å²	165	131.5 Å²	131.5	86%	0.864	73%	0.733	S	S	*	*			trans	-152.4	115.3	151	-100.9	138.2	0	0	0	108.9	T200	T200-L202 PolarHBondContact O-N 3.3Å
203	P	29.8	Very low	27.8	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	74%	0.743	S	S	*	*			trans	-77.3	151.8	-178.6	31.5	-31.4	0	0	0	111.2
204	N	25.2	Very low	27.7	Very low	153 Å²	153	137.1 Å²	137.1	82%	0.818	75%	0.754	S	S	*	*			trans	92.8	61.1	170.5	-53.1	-26.4	0	0	0	118.5
205	V	22.4	Very low	27.5	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	76%	0.757	S	S	*	*			trans	-124.1	95.6	151	-175.8	0	0	0	0	109.4
206	C	23.7	Very low	27.1	Very low	128 Å²	128	139.3 Å²	139.3	87%	0.865	76%	0.763	S	S	*	*			trans	-71.8	123.2	164.4	-72.2	0	0	0	0	109	G208	C206-G208 PolarHBondContact O-N 3.04Å; C206-G208 VanDerWaalsContact O-N 3.15Å
207	L	24.7	Very low	26.8	Very low	165 Å²	165	141.4 Å²	141.4	86%	0.864	76%	0.762	S	S	*	*			trans	-64	106.7	174.4	-72.3	158.3	0	0	0	109.8	N209	L207-N209 PolarHBondContact O-N 3.07Å
208	G	26	Very low	26.8	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	76%	0.757	S	S	*	*			trans	-80.3	111.8	166.6	0	0	0	0	0	110.1	C206 S210	C206-G208 PolarHBondContact O-N 3.04Å; C206-G208 VanDerWaalsContact O-N 3.15Å; G208-S210 PolarHBondContact O-N 2.76Å
209	N	31.7	Very low	26.8	Very low	167 Å²	167	139.5 Å²	139.5	89%	0.893	75%	0.748	S	S	*	*			trans	-59.4	95.2	170	-73.5	-16.4	0	0	0	110.4	L207	L207-N209 PolarHBondContact O-N 3.07Å
210	S	30.5	Very low	27	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	74%	0.74	S	S	*	*			trans	-154	105.5	161.9	57	0	0	0	0	111.5	G208 T212	G208-S210 PolarHBondContact O-N 2.76Å; S210-T212 PolarHBondContact O-N 3.13Å
211	E	32.2	Very low	27.1	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	74%	0.739	S	S	*	*			trans	-68.8	61.2	178.2	-61.8	179.7	155.6	0	0	112.8
212	T	28.1	Very low	27.7	Very low	85 Å²	85	130.3 Å²	130.3	52%	0.521	72%	0.718	S	S	.	*			trans	-130.9	108.8	177.5	46.7	0	0	0	0	112.3	S210 T234	S210-T212 PolarHBondContact O-N 3.13Å; T212-T234 HydrophobicContact CG2-CG2 4.19Å
213	I	29.3	Very low	28.5	Very low	146 Å²	146	128.7 Å²	128.7	75%	0.749	72%	0.717	S	S	*	*			trans	-85.6	113.7	170.3	-60.1	176.3	0	0	0	108.1	I215	I213-I215 HydrophobicContact CG2-CG1 4.24Å; I213-I215 PolarHBondContact O-N 3.44Å
214	K	27.4	Very low	28.8	Very low	182 Å²	182	130.5 Å²	130.5	79%	0.791	71%	0.71	S	S	*	*			trans	-83.9	107.4	172.7	-81.1	177.7	178.1	169.9	0	109.7
215	I	27.5	Very low	29.1	Very low	143 Å²	143	129.8 Å²	129.8	73%	0.733	70%	0.699	S	S	*	*			trans	-87.5	118.2	171	-59.1	173.8	0	0	0	108.4	I213 I217	I213-I215 HydrophobicContact CG2-CG1 4.24Å; I213-I215 PolarHBondContact O-N 3.44Å; I215-I217 HydrophobicContact CG2-CG1 4.21Å
216	R	25.2	Very low	29.7	Very low	215 Å²	215	126.3 Å²	126.3	81%	0.811	69%	0.692	S	S	*	*			trans	-95	112.6	170.1	-95.3	-176	178.2	180	-0.2	108.5
217	I	26.7	Very low	29.9	Very low	123 Å²	123	128.4 Å²	128.4	63%	0.631	68%	0.681	S	S	*	*			trans	-89.6	117.6	170	-56.7	176.7	0	0	0	107.3	I215 L219	I215-I217 HydrophobicContact CG2-CG1 4.21Å; I217-L219 HydrophobicContact CG2-CD2 4.24Å
218	V	27.2	Very low	30.2	Very low	88 Å²	88	124.7 Å²	124.7	53%	0.533	67%	0.666	S	S	.	*			trans	-106	112.3	171.6	-179.4	0	0	0	0	106.1	L220	V218-L220 PolarHBondContact O-N 3.37Å
219	L	26.3	Very low	30.4	Very low	91 Å²	91	128 Å²	128	48%	0.476	66%	0.661	S	S	.	*			trans	-75.8	121.3	177.8	-66.7	169.4	0	0	0	108.8	I217	I217-L219 HydrophobicContact CG2-CD2 4.24Å
220	L	30.5	Very low	30.3	Very low	137 Å²	137	123.8 Å²	123.8	72%	0.717	66%	0.657	S	S	*	*			trans	-84.1	-18	-171.4	-72	170.2	0	0	0	113.6	V218 K225	V218-L220 PolarHBondContact O-N 3.37Å; L220-K225 WeakPolarHBondContact O-CE 3.5Å; L220-K225 PolarHBondContact O-NZ 3.06Å
221	D	27.9	Very low	30	Very low	129 Å²	129	128.6 Å²	128.6	69%	0.69	67%	0.667	S	S	*	*	S	Bend	trans	-149.6	160.3	176	-86.8	-38.1	0	0	0	114.4	K225	D221-K225 IonicContact OD1-NZ 2.8Å; D221-K225 PolarHBondContact OD1-NZ 2.93Å
222	G	36.6	Very low	29.8	Very low	43 Å²	43	129 Å²	129	44%	0.443	67%	0.665	S	S	.	*	S	Bend	trans	100.8	168.8	-172.8	0	0	0	0	0	113.6	W224 K225	G222-W224 PolarHBondContact O-N 3.12Å; G222-K225 WeakPolarHBondContact O-CB 3.18Å; G222-K225 PolarHBondContact O-N 3.04Å
223	P	39.8	Very low	29.9	Very low	130 Å²	130	129.6 Å²	129.6	84%	0.844	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-0.8	-170.5	23.1	-32.3	0	0	0	115.3
224	W	36	Very low	29.9	Very low	146 Å²	146	127.1 Å²	127.1	55%	0.553	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	13.1	177.5	-52.2	96.4	0	0	0	113.3	G222 G226 R227 F229	G222-W224 PolarHBondContact O-N 3.12Å; W224-G226 PolarHBondContact O-N 3.21Å; W224-R227 PolarHBondContact O-N 3.05Å; W224-R227 VanDerWaalsContact O-N 3.12Å; W224-F229 HydrophobicContact CB-CE2 4.26Å; W224-F229 HydrophobicContact CD2-CZ 4.49Å; W224-F229 HydrophobicContact CE3-CZ 4.05Å
225	K	31.1	Very low	29.9	Very low	138 Å²	138	125 Å²	125	60%	0.6	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	122.1	176.7	-163.4	167.8	-171.1	151.3	0	110.8	L220 D221 G222	L220-K225 WeakPolarHBondContact O-CE 3.5Å; L220-K225 PolarHBondContact O-NZ 3.06Å; D221-K225 IonicContact OD1-NZ 2.8Å; D221-K225 PolarHBondContact OD1-NZ 2.93Å; G222-K225 WeakPolarHBondContact O-CB 3.18Å; G222-K225 PolarHBondContact O-N 3.04Å
226	G	34.3	Very low	30.2	Very low	65 Å²	65	121 Å²	121	67%	0.67	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	90	-6	177.7	0	0	0	0	0	116.9	W224	W224-G226 PolarHBondContact O-N 3.21Å
227	R	28.9	Very low	30.6	Very low	171 Å²	171	116.5 Å²	116.5	65%	0.645	62%	0.618	S	S	*	*			trans	-90.4	114.3	172.9	-72.1	-164.7	-176.4	-170.1	3.2	111.7	W224 F229	W224-R227 PolarHBondContact O-N 3.05Å; W224-R227 VanDerWaalsContact O-N 3.12Å; R227-F229 HydrophobicContact CB-CE2 4.15Å; R227-F229 WeakPolarHBondContact O-CD2 3.15Å; R227-F229 PolarHBondContact O-N 3.35Å
228	T	30.6	Very low	31	Very low	87 Å²	87	119.9 Å²	119.9	53%	0.534	62%	0.622	S	S	.	*			trans	-70.4	104.9	168.7	25.9	0	0	0	0	110.9	G230	T228-G230 PolarHBondContact O-N 3.16Å; T228-G230 VanDerWaalsContact O-N 3.14Å
229	F	31.3	Very low	31.4	Very low	137 Å²	137	118.4 Å²	118.4	60%	0.601	62%	0.616	S	S	*	*			trans	-80.9	88	168.1	-73	-84.8	0	0	0	109.9	W224 R227 K231	W224-F229 HydrophobicContact CB-CE2 4.26Å; W224-F229 HydrophobicContact CD2-CZ 4.49Å; W224-F229 HydrophobicContact CE3-CZ 4.05Å; R227-F229 HydrophobicContact CB-CE2 4.15Å; R227-F229 WeakPolarHBondContact O-CD2 3.15Å; R227-F229 PolarHBondContact O-N 3.35Å; F229-K231 PolarHBondContact O-N 3.11Å
230	G	27.8	Very low	31.8	Very low	78 Å²	78	117.4 Å²	117.4	80%	0.804	61%	0.611	S	S	*	*			trans	-77.6	66.1	172.5	0	0	0	0	0	112.1	T228 K232	T228-G230 PolarHBondContact O-N 3.16Å; T228-G230 VanDerWaalsContact O-N 3.14Å; G230-K232 PolarHBondContact O-N 3.29Å
231	K	25.2	Very low	32	Very low	193 Å²	193	111.8 Å²	111.8	84%	0.839	58%	0.583	S	S	*	*			trans	-81.2	109.8	160	-128.5	-178.1	-175.4	-179	0	107.1	F229 V233	F229-K231 PolarHBondContact O-N 3.11Å; K231-V233 PolarHBondContact O-N 3.35Å
232	K	28.3	Very low	32.2	Very low	181 Å²	181	110 Å²	110	79%	0.787	57%	0.573	S	S	*	*			trans	-68.7	75.2	-178	-139.5	-173.6	-172.3	-174.8	0	109.3	G230 T234	G230-K232 PolarHBondContact O-N 3.29Å; K232-T234 VanDerWaalsContact C-N 3.34Å; K232-T234 PolarHBondContact O-N 3.37Å; K232-T234 VanDerWaalsContact O-N 3.17Å; K232-T234 PolarHBondContact O-OG1 3.43Å
233	V	29.7	Very low	32.1	Very low	98 Å²	98	113.7 Å²	113.7	59%	0.594	58%	0.578	S	S	*	*			trans	-83.2	92.1	168.2	-171	0	0	0	0	106.3	K231 Y235	K231-V233 PolarHBondContact O-N 3.35Å; V233-Y235 HydrophobicContact CB-CE2 4.33Å; V233-Y235 HydrophobicContact CG1-CD2 3.97Å; V233-Y235 HydrophobicContact CG1-CE2 3.4Å; V233-Y235 VanDerWaalsContact CG1-CE2 3.4Å; V233-Y235 PolarHBondContact O-N 2.95Å
234	T	28.8	Very low	31.7	Very low	95 Å²	95	110.2 Å²	110.2	58%	0.583	55%	0.552	S	S	*	*			trans	-84.3	93.2	-177.4	-28.1	0	0	0	0	107.4	T212 K232	T212-T234 HydrophobicContact CG2-CG2 4.19Å; K232-T234 VanDerWaalsContact C-N 3.34Å; K232-T234 PolarHBondContact O-N 3.37Å; K232-T234 VanDerWaalsContact O-N 3.17Å; K232-T234 PolarHBondContact O-OG1 3.43Å
235	Y	29.1	Very low	31.5	Very low	137 Å²	137	103.7 Å²	103.7	54%	0.537	53%	0.529	S	S	.	.			trans	-75.2	123.9	164.4	-69.2	-82	0	0	0	107.6	V233 L240	V233-Y235 HydrophobicContact CB-CE2 4.33Å; V233-Y235 HydrophobicContact CG1-CD2 3.97Å; V233-Y235 HydrophobicContact CG1-CE2 3.4Å; V233-Y235 VanDerWaalsContact CG1-CE2 3.4Å; V233-Y235 PolarHBondContact O-N 2.95Å; Y235-L240 HydrophobicContact CG-CD1 4.4Å
236	S	32.6	Very low	31.6	Very low	60 Å²	60	102.9 Å²	102.9	42%	0.42	53%	0.531	S	S	.	.			trans	-63.6	141.1	164.4	72.7	0	0	0	0	107.7	R238 S239 L240	S236-R238 PolarHBondContact O-N 3.37Å; S236-S239 PolarHBondContact O-N 3.1Å; S236-S239 PolarHBondContact OG-N 2.87Å; S236-S239 PolarHBondContact OG-OG 3.36Å; S236-L240 PolarHBondContact O-N 3.43Å; S236-L240 VanDerWaalsContact O-N 3.13Å
237	Y	34.1	Very low	31.7	Very low	120 Å²	120	103.7 Å²	103.7	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-46.5	-39.7	175.1	-178.7	-103	0	0	0	111.2	L240 C241	Y237-L240 PolarHBondContact O-N 3.37Å; Y237-C241 WeakPolarHBondContact O-CB 3.3Å; Y237-C241 PolarHBondContact O-N 2.72Å; Y237-C241 PolarHBondContact O-SG 3.45Å
238	R	34.6	Very low	32.5	Very low	193 Å²	193	99.8 Å²	99.8	73%	0.728	51%	0.512	S	S	*	.	H	α-helix	trans	-61.1	-43.5	175.9	-165.7	171.8	-174.8	165.2	2.2	114	S236 L242	S236-R238 PolarHBondContact O-N 3.37Å; R238-L242 HydrophobicContact CG-CD1 4.13Å; R238-L242 WeakPolarHBondContact O-CB 3.46Å; R238-L242 PolarHBondContact O-N 2.91Å
239	S	36.2	Very low	33.1	Very low	58 Å²	58	103.1 Å²	103.1	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-70.8	-40.7	-179.7	-55.7	0	0	0	0	111.7	S236 L242 E243	S236-S239 PolarHBondContact O-N 3.1Å; S236-S239 PolarHBondContact OG-N 2.87Å; S236-S239 PolarHBondContact OG-OG 3.36Å; S239-L242 PolarHBondContact O-N 2.85Å; S239-E243 PolarHBondContact O-N 2.91Å
240	L	35.4	Very low	34	Very low	70 Å²	70	97.3 Å²	97.3	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-43.3	175.4	-163.1	80	0	0	0	110.8	Y235 S236 Y237 L242 M244	Y235-L240 HydrophobicContact CG-CD1 4.4Å; S236-L240 PolarHBondContact O-N 3.43Å; S236-L240 VanDerWaalsContact O-N 3.13Å; Y237-L240 PolarHBondContact O-N 3.37Å; L240-L242 PolarHBondContact O-N 3.36Å; L240-M244 HydrophobicContact CD1-CE 4.39Å; L240-M244 HydrophobicContact CD2-CE 3.99Å; L240-M244 HydrophobicContact CD2-SD 4.4Å; L240-M244 HydrophobicContact CG-CE 3.91Å; L240-M244 HydrophobicContact CG-SD 4.17Å; L240-M244 VanDerWaalsContact O-CB 3.3Å; L240-M244 WeakPolarHBondContact O-CB 3.09Å; L240-M244 WeakPolarHBondContact O-CG 3.45Å; L240-M244 PolarHBondContact O-N 3.39Å
241	C	32.9	Very low	35.3	Very low	19 Å²	19	94.3 Å²	94.3	13%	0.128	46%	0.455	C	S	.	.	H	α-helix	trans	-64	-36.6	174.9	-72	0	0	0	0	112.9	Y237 M244 A245	Y237-C241 WeakPolarHBondContact O-CB 3.3Å; Y237-C241 PolarHBondContact O-N 2.72Å; Y237-C241 PolarHBondContact O-SG 3.45Å; C241-M244 PolarHBondContact O-N 3.44Å; C241-A245 WeakPolarHBondContact O-CB 3.07Å; C241-A245 PolarHBondContact O-N 3.07Å
242	L	33.7	Very low	37.2	Very low	92 Å²	92	85.5 Å²	85.5	48%	0.482	42%	0.417	S	S	.	.	H	α-helix	trans	-69	-44.7	177.2	-98.2	149	0	0	0	112.4	R238 S239 L240 M244 A245 N246	R238-L242 HydrophobicContact CG-CD1 4.13Å; R238-L242 WeakPolarHBondContact O-CB 3.46Å; R238-L242 PolarHBondContact O-N 2.91Å; S239-L242 PolarHBondContact O-N 2.85Å; L240-L242 PolarHBondContact O-N 3.36Å; L242-M244 VanDerWaalsContact C-N 3.28Å; L242-M244 PolarHBondContact O-N 2.97Å; L242-A245 PolarHBondContact O-N 3.21Å; L242-N246 PolarHBondContact O-N 3.1Å
243	E	34.1	Very low	39.4	Very low	119 Å²	119	77.1 Å²	77.1	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-39.1	172.5	-104	177.1	161.2	0	0	111.1	S239 C247	S239-E243 PolarHBondContact O-N 2.91Å; E243-C247 PolarHBondContact O-N 3.29Å; E243-C247 PolarHBondContact O-SG 3.23Å
244	M	31.2	Very low	41.2	Very low	57 Å²	57	73 Å²	73	28%	0.281	36%	0.356	S	S	.	.	H	α-helix	trans	-71	-38.2	177	-72.9	176.8	169.9	0	0	113.5	P181 L240 C241 L242 C247	P181-M244 HydrophobicContact CB-CE 3.21Å; P181-M244 HydrophobicContact CB-CG 4.39Å; P181-M244 HydrophobicContact CB-SD 3.43Å; P181-M244 WeakPolarHBondContact CB-SD 3.5Å; P181-M244 HydrophobicContact CG-CE 3.46Å; P181-M244 VanDerWaalsContact CG-CE 3.46Å; P181-M244 HydrophobicContact CG-CG 4.13Å; P181-M244 HydrophobicContact CG-SD 3.82Å; L240-M244 HydrophobicContact CD1-CE 4.39Å; L240-M244 HydrophobicContact CD2-CE 3.99Å; L240-M244 HydrophobicContact CD2-SD 4.4Å; L240-M244 HydrophobicContact CG-CE 3.91Å; L240-M244 HydrophobicContact CG-SD 4.17Å; L240-M244 VanDerWaalsContact O-CB 3.3Å; L240-M244 WeakPolarHBondContact O-CB 3.09Å; L240-M244 WeakPolarHBondContact O-CG 3.45Å; L240-M244 PolarHBondContact O-N 3.39Å; C241-M244 PolarHBondContact O-N 3.44Å; L242-M244 VanDerWaalsContact C-N 3.28Å; L242-M244 PolarHBondContact O-N 2.97Å; M244-C247 PolarHBondContact O-N 2.9Å
245	A	32.5	Very low	43.1	Very low	10 Å²	10	68.5 Å²	68.5	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-39.9	177.7	0	0	0	0	0	111.9	C241 L242 C247 S296	C241-A245 WeakPolarHBondContact O-CB 3.07Å; C241-A245 PolarHBondContact O-N 3.07Å; L242-A245 PolarHBondContact O-N 3.21Å; A245-C247 VanDerWaalsContact C-N 3.28Å; A245-C247 PolarHBondContact O-N 3.05Å; A245-S296 WeakPolarHBondContact CA-OG 3.45Å; A245-S296 WeakPolarHBondContact CB-OG 3.44Å
246	N	33	Very low	44.8	Very low	121 Å²	121	62.6 Å²	62.6	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-71.8	-21.5	177.9	-75.5	-19.2	0	0	0	113	L242	L242-N246 PolarHBondContact O-N 3.1Å
247	C	36.1	Very low	46.1	Very low	81 Å²	81	62.9 Å²	62.9	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-86.6	-19.2	-174.6	-72	0	0	0	0	115.5	E243 M244 A245	E243-C247 PolarHBondContact O-N 3.29Å; E243-C247 PolarHBondContact O-SG 3.23Å; M244-C247 PolarHBondContact O-N 2.9Å; A245-C247 VanDerWaalsContact C-N 3.28Å; A245-C247 PolarHBondContact O-N 3.05Å
248	Y	44.4	Very low	47.2	Very low	90 Å²	90	58.5 Å²	58.5	35%	0.353	29%	0.285	S	S	.	.			trans	-143.2	81.3	-170.5	-58	-78.3	0	0	0	113.6	V178 N250	V178-Y248 HydrophobicContact CG1-CE1 3.84Å; Y248-N250 PolarHBondContact O-N 3.45Å; Y248-N250 VanDerWaalsContact O-N 3.1Å
249	R	44.4	Very low	48.2	Very low	157 Å²	157	50 Å²	50	59%	0.592	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-59.5	-12.1	164	-82.9	-171.5	-178.3	-158.4	1	113.5	Y252	R249-Y252 HydrophobicContact CB-CE2 4.37Å; R249-Y252 WeakPolarHBondContact O-CD2 3.39Å; R249-Y252 WeakPolarHBondContact O-CE2 3.46Å
250	N	51	Low	48.9	Very low	15 Å²	15	52.2 Å²	52.2	8%	0.08	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-88.1	-14.8	-170.8	-66.2	-44.5	0	0	0	115.6	F136 A138 E140 Y248 Y252 Y253	F136-N250 HydrophobicContact CD2-CB 4.31Å; F136-N250 HydrophobicContact CE2-CB 3.51Å; F136-N250 WeakPolarHBondContact CE2-ND2 3.09Å; F136-N250 HydrophobicContact CZ-CB 4.04Å; F136-N250 WeakPolarHBondContact CZ-ND2 3.41Å; A138-N250 WeakPolarHBondContact CB-OD1 3.39Å; E140-N250 PolarHBondContact OE1-ND2 3.34Å; E140-N250 PolarHBondContact OE1-OD1 3.29Å; Y248-N250 PolarHBondContact O-N 3.45Å; Y248-N250 VanDerWaalsContact O-N 3.1Å; N250-Y252 PolarHBondContact O-N 3.42Å; N250-Y253 PolarHBondContact O-N 3.14Å
251	D	54.3	Low	49.4	Very low	15 Å²	15	49.8 Å²	49.8	8%	0.08	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.1	-16.6	-175.8	-75.2	-9.4	0	0	0	112.6	Y253 S254 Y259	D251-Y253 PolarHBondContact O-N 3.25Å; D251-S254 WeakPolarHBondContact O-CB 3.42Å; D251-S254 PolarHBondContact O-N 2.91Å; D251-Y259 PolarHBondContact O-OH 3.22Å
252	Y	65.2	Low	49.8	Very low	8 Å²	8	54.4 Å²	54.4	3%	0.031	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69.8	-29.6	-179.3	-46.1	-53.4	0	0	0	114.2	R249 N250 S254 F292 L295 L299	R249-Y252 HydrophobicContact CB-CE2 4.37Å; R249-Y252 WeakPolarHBondContact O-CD2 3.39Å; R249-Y252 WeakPolarHBondContact O-CE2 3.46Å; N250-Y252 PolarHBondContact O-N 3.42Å; Y252-S254 VanDerWaalsContact C-N 3.33Å; Y252-F292 HydrophobicContact CD1-CB 4.04Å; Y252-F292 AromaticContact CD1-CD1 3.66Å; Y252-F292 HydrophobicContact CD1-CD1 3.66Å; Y252-F292 HydrophobicContact CD1-CD2 4.12Å; Y252-F292 HydrophobicContact CD1-CE1 4.01Å; Y252-F292 HydrophobicContact CD1-CE2 4.4Å; Y252-F292 AromaticContact CD1-CG 3.75Å; Y252-F292 HydrophobicContact CD1-CG 3.75Å; Y252-F292 HydrophobicContact CD1-CZ 4.36Å; Y252-F292 HydrophobicContact CD2-CB 3.79Å; Y252-F292 HydrophobicContact CD2-CD1 4.3Å; Y252-F292 AromaticContact CD2-CD2 3.27Å; Y252-F292 HydrophobicContact CD2-CD2 3.27Å; Y252-F292 AromaticContact CD2-CE2 3.76Å; Y252-F292 HydrophobicContact CD2-CE2 3.76Å; Y252-F292 AromaticContact CD2-CG 3.59Å; Y252-F292 HydrophobicContact CD2-CG 3.59Å; Y252-F292 HydrophobicContact CD2-CZ 4.48Å; Y252-F292 HydrophobicContact CE1-CB 3.52Å; Y252-F292 AromaticContact CE1-CD1 3.85Å; Y252-F292 HydrophobicContact CE1-CD1 3.85Å; Y252-F292 HydrophobicContact CE1-CD2 4.44Å; Y252-F292 AromaticContact CE1-CG 3.77Å; Y252-F292 HydrophobicContact CE1-CG 3.77Å; Y252-F292 HydrophobicContact CE2-CB 3.23Å; Y252-F292 HydrophobicContact CE2-CD1 4.48Å; Y252-F292 AromaticContact CE2-CD2 3.66Å; Y252-F292 HydrophobicContact CE2-CD2 3.66Å; Y252-F292 AromaticContact CE2-CG 3.62Å; Y252-F292 HydrophobicContact CE2-CG 3.62Å; Y252-F292 HydrophobicContact CG-CB 4.19Å; Y252-F292 AromaticContact CG-CD1 3.93Å; Y252-F292 HydrophobicContact CG-CD1 3.93Å; Y252-F292 AromaticContact CG-CD2 3.57Å; Y252-F292 HydrophobicContact CG-CD2 3.57Å; Y252-F292 HydrophobicContact CG-CE1 4.09Å; Y252-F292 AromaticContact CG-CE2 3.7Å; Y252-F292 HydrophobicContact CG-CE2 3.7Å; Y252-F292 AromaticContact CG-CG 3.7Å; Y252-F292 HydrophobicContact CG-CG 3.7Å; Y252-F292 AromaticContact CG-CZ 3.98Å; Y252-F292 HydrophobicContact CG-CZ 3.98Å; Y252-F292 AromaticContact CZ-CG 3.74Å; Y252-F292 VanDerWaalsContact OH-CB 3.31Å; Y252-F292 WeakPolarHBondContact OH-CB 3.11Å; Y252-F292 PolarHBondContact OH-O 3Å; Y252-L295 HydrophobicContact CE1-CB 4.47Å; Y252-L299 HydrophobicContact CD1-CD1 3.46Å; Y252-L299 VanDerWaalsContact CD1-CD1 3.46Å; Y252-L299 HydrophobicContact CD1-CD2 3.83Å; Y252-L299 HydrophobicContact CD1-CG 4.25Å; Y252-L299 HydrophobicContact CE1-CD1 3.86Å
253	Y	73.9	Confident	50.1	Low	5 Å²	5	54.5 Å²	54.5	2%	0.02	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-84.5	-12	178.8	-55	-76.7	0	0	0	112	Y99 L137 A138 N250 D251 W275 S276 I279 L280 E283	Y99-Y253 WeakPolarHBondContact CE1-OH 3.49Å; Y99-Y253 PolarHBondContact OH-OH 3.42Å; Y99-Y253 VanDerWaalsContact OH-OH 3.13Å; L137-Y253 WeakPolarHBondContact O-CB 3.25Å; A138-Y253 HydrophobicContact CB-CD2 3.49Å; A138-Y253 VanDerWaalsContact CB-CD2 3.49Å; A138-Y253 HydrophobicContact CB-CE2 3.73Å; A138-Y253 HydrophobicContact CB-CG 4.28Å; N250-Y253 PolarHBondContact O-N 3.14Å; D251-Y253 PolarHBondContact O-N 3.25Å; Y253-W275 VanDerWaalsContact O-CD1 3.29Å; Y253-S276 VanDerWaalsContact O-CA 3.29Å; Y253-S276 WeakPolarHBondContact O-CA 2.99Å; Y253-S276 WeakPolarHBondContact O-CB 3.06Å; Y253-S276 PolarHBondContact O-OG 2.75Å; Y253-I279 HydrophobicContact CD1-CB 3.97Å; Y253-I279 HydrophobicContact CD1-CG2 3.6Å; Y253-I279 HydrophobicContact CE1-CG2 3.95Å; Y253-L280 HydrophobicContact CD1-CD2 3.9Å; Y253-L280 HydrophobicContact CD1-CG 3.83Å; Y253-L280 HydrophobicContact CE1-CD2 3.36Å; Y253-L280 HydrophobicContact CE1-CG 3.78Å; Y253-E283 PolarHBondContact OH-OE2 2.82Å
254	S	67.2	Low	50.4	Low	11 Å²	11	49.7 Å²	49.7	8%	0.077	25%	0.252	C	S	.	.	S	Bend	trans	-71.3	136.3	-174.8	-62.2	0	0	0	0	111.9	D251 Y252 Y259	D251-S254 WeakPolarHBondContact O-CB 3.42Å; D251-S254 PolarHBondContact O-N 2.91Å; Y252-S254 VanDerWaalsContact C-N 3.33Å; S254-Y259 WeakPolarHBondContact CB-OH 3.42Å
255	A	69.4	Low	50.7	Low	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.			trans	-68.8	149.6	179.3	0	0	0	0	0	112.5	E257 F258 Y259 V272 W275	A255-E257 VanDerWaalsContact C-N 3.29Å; A255-E257 HydrophobicContact CB-CG 4.16Å; A255-E257 WeakPolarHBondContact CB-OE1 3.42Å; A255-E257 VanDerWaalsContact CB-OE2 3.31Å; A255-E257 WeakPolarHBondContact CB-OE2 3.31Å; A255-E257 PolarHBondContact O-N 3.41Å; A255-F258 WeakPolarHBondContact O-CB 3.25Å; A255-F258 PolarHBondContact O-N 2.77Å; A255-Y259 WeakPolarHBondContact O-CD2 3.27Å; A255-V272 HydrophobicContact CB-CB 4.28Å; A255-V272 HydrophobicContact CB-CG1 4.24Å; A255-V272 HydrophobicContact CB-CG2 3.82Å; A255-W275 HydrophobicContact CB-CB 3.62Å; A255-W275 HydrophobicContact CB-CD2 4.08Å; A255-W275 HydrophobicContact CB-CG 3.52Å
256	P	63.9	Low	50.9	Low	14 Å²	14	61.4 Å²	61.4	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-40.9	178.5	-23.8	31.4	0	0	0	113.3	F258 Y259 V260 W275 I307	P256-F258 PolarHBondContact O-N 3.41Å; P256-Y259 PolarHBondContact O-N 3.16Å; P256-V260 PolarHBondContact O-N 3.48Å; P256-W275 VanDerWaalsContact CD-CE2 3.46Å; P256-W275 VanDerWaalsContact CD-CZ2 3.48Å; P256-W275 HydrophobicContact CG-CH2 3.66Å; P256-W275 HydrophobicContact CG-CZ2 3.74Å; P256-W275 HydrophobicContact CG-CZ3 4.1Å; P256-I307 HydrophobicContact CB-CD1 4.17Å; P256-I307 HydrophobicContact CG-CD1 3.29Å
257	E	61.1	Low	51.5	Low	65 Å²	65	58.9 Å²	58.9	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-24.5	178.5	62.6	-90.5	-149.3	0	0	112.9	A255 Y259 V260 N261 K271 V272	A255-E257 VanDerWaalsContact C-N 3.29Å; A255-E257 HydrophobicContact CB-CG 4.16Å; A255-E257 WeakPolarHBondContact CB-OE1 3.42Å; A255-E257 VanDerWaalsContact CB-OE2 3.31Å; A255-E257 WeakPolarHBondContact CB-OE2 3.31Å; A255-E257 PolarHBondContact O-N 3.41Å; E257-Y259 PolarHBondContact O-N 2.93Å; E257-V260 PolarHBondContact O-N 3.45Å; E257-N261 PolarHBondContact O-N 3.45Å; E257-K271 VanDerWaalsContact OE1-CG 3.27Å; E257-K271 WeakPolarHBondContact OE1-CG 3.14Å; E257-V272 HydrophobicContact CG-CG2 4.07Å
258	F	57.4	Low	52.5	Low	28 Å²	28	55.6 Å²	55.6	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-33.5	173	-169.8	-97.8	0	0	0	111.5	K159 V161 P180 A255 P256 V268 V272	K159-F258 HydrophobicContact CD-CZ 4.49Å; V161-F258 HydrophobicContact CG2-CE2 4.33Å; P180-F258 HydrophobicContact CG-CE1 4.34Å; A255-F258 WeakPolarHBondContact O-CB 3.25Å; A255-F258 PolarHBondContact O-N 2.77Å; P256-F258 PolarHBondContact O-N 3.41Å; F258-V268 HydrophobicContact CD2-CG2 4.41Å; F258-V272 HydrophobicContact CD2-CG1 4.44Å
259	Y	55.2	Low	53.4	Low	15 Å²	15	52.4 Å²	52.4	6%	0.059	26%	0.264	C	S	.	.	H	α-helix	trans	-88.3	-27.1	-178.6	-59.8	-77	0	0	0	114	P180 D251 S254 A255 P256 E257 N261 V300	P180-Y259 HydrophobicContact CB-CE1 4.45Å; P180-Y259 HydrophobicContact CG-CE1 4.32Å; D251-Y259 PolarHBondContact O-OH 3.22Å; S254-Y259 WeakPolarHBondContact CB-OH 3.42Å; A255-Y259 WeakPolarHBondContact O-CD2 3.27Å; P256-Y259 PolarHBondContact O-N 3.16Å; E257-Y259 PolarHBondContact O-N 2.93Å; Y259-N261 VanDerWaalsContact C-N 3.33Å; Y259-V300 HydrophobicContact CD1-CG2 3.67Å; Y259-V300 HydrophobicContact CD2-CG2 3.98Å; Y259-V300 HydrophobicContact CE1-CG2 3.86Å; Y259-V300 HydrophobicContact CE2-CG2 4.16Å; Y259-V300 HydrophobicContact CG-CG2 3.73Å
260	V	49.9	Very low	54.7	Low	105 Å²	105	47 Å²	47	64%	0.636	25%	0.25	S	C	*	.	H	α-helix	trans	-81.9	-17.4	-178.7	-177.4	0	0	0	0	111.7	P256 E257 D262 L304	P256-V260 PolarHBondContact O-N 3.48Å; E257-V260 PolarHBondContact O-N 3.45Å; V260-D262 PolarHBondContact O-N 2.97Å; V260-L304 HydrophobicContact CG2-CD2 4.5Å
261	N	46	Very low	55.8	Low	18 Å²	18	47.7 Å²	47.7	10%	0.096	25%	0.252	C	S	.	.	S	Bend	trans	-63.5	108.9	179.5	-167	0.1	0	0	0	111.4	E257 Y259 Y263 K265 Q266	E257-N261 PolarHBondContact O-N 3.45Å; Y259-N261 VanDerWaalsContact C-N 3.33Å; N261-Y263 VanDerWaalsContact C-N 3.31Å; N261-Y263 PolarHBondContact O-N 3.19Å; N261-K265 PolarHBondContact OD1-N 2.88Å; N261-Q266 PolarHBondContact ND2-O 2.75Å; N261-Q266 WeakPolarHBondContact OD1-CB 3.47Å; N261-Q266 PolarHBondContact OD1-N 3.45Å
262	D	42.3	Very low	56.8	Low	117 Å²	117	47.1 Å²	47.1	63%	0.626	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.4	82.1	-172.1	-153.1	14.8	0	0	0	111	V260	V260-D262 PolarHBondContact O-N 2.97Å
263	Y	40.2	Very low	57.6	Low	93 Å²	93	46.8 Å²	46.8	37%	0.365	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	65.8	31.8	-177.3	-66	-93.6	0	0	0	114.6	Q162 L183 R187 N261 K265	Q162-Y263 PolarHBondContact OE1-O 2.9Å; L183-Y263 HydrophobicContact CD2-CE1 4.28Å; R187-Y263 WeakPolarHBondContact CD-OH 3.35Å; R187-Y263 WeakPolarHBondContact CG-OH 3.35Å; R187-Y263 VanDerWaalsContact NE-CZ 3.33Å; R187-Y263 PolarHBondContact NE-OH 3.44Å; R187-Y263 PolarHBondContact NH1-OH 3.18Å; R187-Y263 VanDerWaalsContact NH1-OH 3.09Å; R187-Y263 PolarHBondContact NH2-OH 3.1Å; N261-Y263 VanDerWaalsContact C-N 3.31Å; N261-Y263 PolarHBondContact O-N 3.19Å; Y263-K265 VanDerWaalsContact C-N 3.34Å; Y263-K265 PolarHBondContact O-N 3.02Å
264	G	40.3	Very low	58.1	Low	19 Å²	19	47.1 Å²	47.1	20%	0.196	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	78.5	14.7	174.7	0	0	0	0	0	114.7	Q162 Q266	Q162-G264 WeakPolarHBondContact CB-O 3.39Å; G264-Q266 VanDerWaalsContact C-N 3.31Å; G264-Q266 PolarHBondContact O-N 3.28Å
265	K	36.2	Very low	58.9	Low	167 Å²	167	46.7 Å²	46.7	73%	0.726	25%	0.246	S	C	*	.			trans	-68.4	-24.9	178.3	-76.7	-173.9	177.5	-178	0	114.3	N261 Y263	N261-K265 PolarHBondContact OD1-N 2.88Å; Y263-K265 VanDerWaalsContact C-N 3.34Å; Y263-K265 PolarHBondContact O-N 3.02Å
266	Q	38.7	Very low	59.7	Low	146 Å²	146	46.9 Å²	46.9	68%	0.682	25%	0.248	S	C	*	.	S	Bend	trans	-99.4	134.5	178.2	-69.9	-175.2	-14	0	0	111.2	N261 G264 V268	N261-Q266 PolarHBondContact ND2-O 2.75Å; N261-Q266 WeakPolarHBondContact OD1-CB 3.47Å; N261-Q266 PolarHBondContact OD1-N 3.45Å; G264-Q266 VanDerWaalsContact C-N 3.31Å; G264-Q266 PolarHBondContact O-N 3.28Å; Q266-V268 PolarHBondContact O-N 3.11Å
267	C	45.4	Very low	60.9	Low	67 Å²	67	46.2 Å²	46.2	45%	0.453	24%	0.243	S	C	.	.			trans	-58.8	120.7	175.5	-63.8	0	0	0	0	110.1	G269	C267-G269 PolarHBondContact O-N 3.08Å
268	V	55.9	Low	62.2	Low	12 Å²	12	43.1 Å²	43.1	7%	0.073	23%	0.229	C	C	.	.			trans	-81	114.4	168.4	-175.2	0	0	0	0	106.6	Y133 V161 F258 Q266 V272	Y133-V268 VanDerWaalsContact CD2-O 3.27Å; Y133-V268 WeakPolarHBondContact CD2-O 3.47Å; Y133-V268 VanDerWaalsContact CE2-O 3.27Å; Y133-V268 WeakPolarHBondContact CE2-O 3.47Å; V161-V268 HydrophobicContact CB-CB 3.92Å; V161-V268 HydrophobicContact CB-CG2 3.96Å; V161-V268 HydrophobicContact CG1-CB 3.41Å; V161-V268 VanDerWaalsContact CG1-CB 3.41Å; V161-V268 HydrophobicContact CG1-CG2 3.26Å; V161-V268 HydrophobicContact CG2-CB 3.47Å; V161-V268 VanDerWaalsContact CG2-CB 3.47Å; V161-V268 HydrophobicContact CG2-CG1 4.06Å; V161-V268 HydrophobicContact CG2-CG2 3.5Å; F258-V268 HydrophobicContact CD2-CG2 4.41Å; Q266-V268 PolarHBondContact O-N 3.11Å; V268-V272 HydrophobicContact CG1-CB 3.63Å; V268-V272 HydrophobicContact CG1-CG1 4.26Å; V268-V272 HydrophobicContact CG1-CG2 3.11Å
269	G	62.9	Low	63.5	Low	23 Å²	23	42 Å²	42	24%	0.237	22%	0.224	C	C	.	.			trans	-93.4	-168.5	-178.1	0	0	0	0	0	113	C267 K271 V272	C267-G269 PolarHBondContact O-N 3.08Å; G269-K271 PolarHBondContact O-N 3.37Å; G269-V272 PolarHBondContact O-N 3.2Å
270	P	72.4	Confident	65.1	Low	44 Å²	44	41.3 Å²	41.3	29%	0.286	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.2	179.4	24.9	-36.3	0	0	0	113.9	H128 Y133 V272 D273 I274	H128-P270 WeakPolarHBondContact CE1-CB 3.18Å; H128-P270 WeakPolarHBondContact ND1-CB 3.38Å; Y133-P270 HydrophobicContact CE1-CB 4.4Å; P270-V272 VanDerWaalsContact C-N 3.29Å; P270-V272 PolarHBondContact O-N 2.97Å; P270-D273 PolarHBondContact O-N 3.46Å; P270-I274 WeakPolarHBondContact O-CG1 3.22Å; P270-I274 PolarHBondContact O-N 3.25Å
271	K	73.6	Confident	66.9	Low	29 Å²	29	36.3 Å²	36.3	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-34.2	-177.9	-172.6	62.9	-177.6	164.4	0	113.6	E257 G269 I274 W275 C349 Q351	E257-K271 VanDerWaalsContact OE1-CG 3.27Å; E257-K271 WeakPolarHBondContact OE1-CG 3.14Å; G269-K271 PolarHBondContact O-N 3.37Å; K271-I274 PolarHBondContact O-N 3.23Å; K271-W275 PolarHBondContact O-N 2.88Å; K271-C349 PolarHBondContact NZ-O 3.17Å; K271-Q351 WeakPolarHBondContact CE-O 3.25Å
272	V	75.5	Confident	68.8	Low	4 Å²	4	35.5 Å²	35.5	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-37	-179.3	171.6	0	0	0	0	112.1	A255 E257 F258 V268 G269 P270 W275 S276	A255-V272 HydrophobicContact CB-CB 4.28Å; A255-V272 HydrophobicContact CB-CG1 4.24Å; A255-V272 HydrophobicContact CB-CG2 3.82Å; E257-V272 HydrophobicContact CG-CG2 4.07Å; F258-V272 HydrophobicContact CD2-CG1 4.44Å; V268-V272 HydrophobicContact CG1-CB 3.63Å; V268-V272 HydrophobicContact CG1-CG1 4.26Å; V268-V272 HydrophobicContact CG1-CG2 3.11Å; G269-V272 PolarHBondContact O-N 3.2Å; P270-V272 VanDerWaalsContact C-N 3.29Å; P270-V272 PolarHBondContact O-N 2.97Å; V272-W275 PolarHBondContact O-N 3.18Å; V272-S276 WeakPolarHBondContact O-CB 3.28Å; V272-S276 PolarHBondContact O-N 2.77Å; V272-S276 PolarHBondContact O-OG 2.89Å
273	D	82.4	Confident	70.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-40.9	174.4	-62.1	-21.8	0	0	0	110.8	L124 H128 H134 T135 P270 W275 S276 L277	L124-D273 HydrophobicContact CD1-CB 3.97Å; L124-D273 HydrophobicContact CD2-CB 3.73Å; L124-D273 HydrophobicContact CG-CB 4.45Å; H128-D273 IonicContact CD2-OD2 3.74Å; H128-D273 IonicContact CE1-OD2 3.74Å; H128-D273 IonicContact NE2-OD2 2.78Å; H128-D273 PolarHBondContact NE2-OD2 2.77Å; H134-D273 WeakPolarHBondContact CB-OD1 3.28Å; H134-D273 PolarHBondContact N-OD1 3.02Å; H134-D273 PolarHBondContact N-OD2 2.68Å; T135-D273 PolarHBondContact N-OD1 3.11Å; P270-D273 PolarHBondContact O-N 3.46Å; D273-W275 PolarHBondContact O-N 3.18Å; D273-S276 WeakPolarHBondContact O-CB 3.46Å; D273-S276 PolarHBondContact O-N 3.46Å; D273-L277 PolarHBondContact O-N 3.11Å
274	I	85.2	Confident	72.9	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.062	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-38.1	177.3	-63.5	-60.2	0	0	0	111.7	L121 L124 P270 K271 G278 C349 L358	L121-I274 HydrophobicContact CD2-CD1 4.09Å; L124-I274 HydrophobicContact CD1-CD1 4.34Å; P270-I274 WeakPolarHBondContact O-CG1 3.22Å; P270-I274 PolarHBondContact O-N 3.25Å; K271-I274 PolarHBondContact O-N 3.23Å; I274-G278 PolarHBondContact O-N 3.12Å; I274-C349 HydrophobicContact CG2-CB 4.17Å; I274-C349 WeakPolarHBondContact O-CB 3.25Å; I274-L358 HydrophobicContact CD1-CB 4.43Å; I274-L358 HydrophobicContact CG2-CD1 3.86Å
275	W	83.9	Confident	74.9	Confident	1 Å²	1	25.6 Å²	25.6	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-49.2	172.5	177.8	-79.6	0	0	0	111.2	Y253 A255 P256 K271 V272 D273 L277 G278 I279 W303 I307 V312 L350	Y253-W275 VanDerWaalsContact O-CD1 3.29Å; A255-W275 HydrophobicContact CB-CB 3.62Å; A255-W275 HydrophobicContact CB-CD2 4.08Å; A255-W275 HydrophobicContact CB-CG 3.52Å; P256-W275 VanDerWaalsContact CD-CE2 3.46Å; P256-W275 VanDerWaalsContact CD-CZ2 3.48Å; P256-W275 HydrophobicContact CG-CH2 3.66Å; P256-W275 HydrophobicContact CG-CZ2 3.74Å; P256-W275 HydrophobicContact CG-CZ3 4.1Å; K271-W275 PolarHBondContact O-N 2.88Å; V272-W275 PolarHBondContact O-N 3.18Å; D273-W275 PolarHBondContact O-N 3.18Å; W275-L277 VanDerWaalsContact C-N 3.26Å; W275-L277 PolarHBondContact O-N 3.1Å; W275-G278 WeakPolarHBondContact O-CA 3.34Å; W275-G278 PolarHBondContact O-N 3.04Å; W275-I279 HydrophobicContact CZ2-CD1 4.48Å; W275-I279 PolarHBondContact O-N 3.3Å; W275-I279 VanDerWaalsContact O-N 3.07Å; W275-W303 HydrophobicContact CH2-CZ3 4.31Å; W275-W303 HydrophobicContact CZ2-CD2 4.47Å; W275-W303 AromaticContact CZ2-CE3 4Å; W275-W303 HydrophobicContact CZ2-CE3 4Å; W275-W303 AromaticContact CZ2-CH2 3.87Å; W275-W303 HydrophobicContact CZ2-CH2 3.87Å; W275-W303 HydrophobicContact CZ2-CZ2 4.35Å; W275-W303 AromaticContact CZ2-CZ3 3.66Å; W275-W303 HydrophobicContact CZ2-CZ3 3.66Å; W275-I307 HydrophobicContact CH2-CD1 3.62Å; W275-I307 HydrophobicContact CZ2-CD1 4.16Å; W275-V312 HydrophobicContact CH2-CG1 3.83Å; W275-V312 HydrophobicContact CZ3-CG1 4.14Å; W275-L350 HydrophobicContact CD2-CD2 3.85Å; W275-L350 HydrophobicContact CE3-CD2 4.02Å; W275-L350 HydrophobicContact CG-CD2 4.34Å; W275-L350 HydrophobicContact CH2-CD2 4.37Å; W275-L350 HydrophobicContact CZ2-CD2 4.22Å; W275-L350 HydrophobicContact CZ3-CB 4.47Å; W275-L350 HydrophobicContact CZ3-CD2 4.28Å
276	S	85	Confident	76.8	Confident	4 Å²	4	18.5 Å²	18.5	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-42.2	179.5	-54.9	0	0	0	0	111.2	L137 Y253 V272 D273 G278 I279 L280	L137-S276 WeakPolarHBondContact O-CB 3.29Å; Y253-S276 VanDerWaalsContact O-CA 3.29Å; Y253-S276 WeakPolarHBondContact O-CA 2.99Å; Y253-S276 WeakPolarHBondContact O-CB 3.06Å; Y253-S276 PolarHBondContact O-OG 2.75Å; V272-S276 WeakPolarHBondContact O-CB 3.28Å; V272-S276 PolarHBondContact O-N 2.77Å; V272-S276 PolarHBondContact O-OG 2.89Å; D273-S276 WeakPolarHBondContact O-CB 3.46Å; D273-S276 PolarHBondContact O-N 3.46Å; S276-G278 PolarHBondContact O-N 3.04Å; S276-I279 PolarHBondContact O-N 3.45Å; S276-L280 WeakPolarHBondContact O-CG 2.88Å; S276-L280 PolarHBondContact O-N 2.91Å
277	L	89.3	Confident	77.7	Confident	0 Å²	0	14 Å²	14	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.8	-45	171.4	171.8	64.5	0	0	0	111.9	I120 L121 L137 D273 W275 I279 L280 L281	I120-L277 HydrophobicContact CB-CD1 4Å; I120-L277 HydrophobicContact CD1-CD1 3.99Å; I120-L277 HydrophobicContact CG2-CD1 3.7Å; L121-L277 HydrophobicContact CD1-CD2 4.35Å; L121-L277 HydrophobicContact CD2-CD2 3.36Å; L121-L277 HydrophobicContact CG-CD2 3.59Å; L137-L277 HydrophobicContact CD2-CB 4.14Å; D273-L277 PolarHBondContact O-N 3.11Å; W275-L277 VanDerWaalsContact C-N 3.26Å; W275-L277 PolarHBondContact O-N 3.1Å; L277-I279 VanDerWaalsContact C-N 3.27Å; L277-I279 PolarHBondContact O-N 2.87Å; L277-L280 PolarHBondContact O-N 3.23Å; L277-L281 HydrophobicContact CD1-CD1 3.8Å; L277-L281 HydrophobicContact CD1-CD2 4.1Å; L277-L281 HydrophobicContact CD1-CG 3.67Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.31Å
278	G	88.1	Confident	78.3	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-39.3	177.5	0	0	0	0	0	113.2	I274 W275 S276 L282	I274-G278 PolarHBondContact O-N 3.12Å; W275-G278 WeakPolarHBondContact O-CA 3.34Å; W275-G278 PolarHBondContact O-N 3.04Å; S276-G278 PolarHBondContact O-N 3.04Å; G278-L282 VanDerWaalsContact O-CB 3.29Å; G278-L282 WeakPolarHBondContact O-CB 3.48Å; G278-L282 PolarHBondContact O-N 2.96Å
279	I	85.6	Confident	78.2	Confident	6 Å²	6	23 Å²	23	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-43.1	176.3	-58.9	-57.1	0	0	0	111.4	Y253 W275 S276 L277 L282 E283 W303 L350	Y253-I279 HydrophobicContact CD1-CB 3.97Å; Y253-I279 HydrophobicContact CD1-CG2 3.6Å; Y253-I279 HydrophobicContact CE1-CG2 3.95Å; W275-I279 HydrophobicContact CZ2-CD1 4.48Å; W275-I279 PolarHBondContact O-N 3.3Å; W275-I279 VanDerWaalsContact O-N 3.07Å; S276-I279 PolarHBondContact O-N 3.45Å; L277-I279 VanDerWaalsContact C-N 3.27Å; L277-I279 PolarHBondContact O-N 2.87Å; I279-L282 PolarHBondContact O-N 3.16Å; I279-E283 WeakPolarHBondContact O-CB 3.24Å; I279-E283 PolarHBondContact O-N 2.89Å; I279-W303 HydrophobicContact CD1-CH2 3.64Å; I279-W303 HydrophobicContact CD1-CZ2 4.21Å; I279-L350 HydrophobicContact CD1-CD1 4.2Å; I279-L350 HydrophobicContact CD1-CD2 3.68Å; I279-L350 HydrophobicContact CG1-CD2 4.11Å
280	L	87.6	Confident	77.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-52.1	173.4	-74	167.8	0	0	0	111	F98 L137 V142 Y253 S276 L277 L282 E283 L284	F98-L280 HydrophobicContact CD1-CD2 3.82Å; F98-L280 HydrophobicContact CD2-CD2 4.46Å; F98-L280 HydrophobicContact CE1-CB 4.41Å; F98-L280 HydrophobicContact CE1-CD2 3.59Å; F98-L280 HydrophobicContact CE2-CB 4.12Å; F98-L280 HydrophobicContact CE2-CD2 4.25Å; F98-L280 HydrophobicContact CG-CD2 4.24Å; F98-L280 HydrophobicContact CZ-CB 3.79Å; F98-L280 HydrophobicContact CZ-CD2 3.8Å; F98-L280 HydrophobicContact CZ-CG 4.41Å; F98-L280 VanDerWaalsContact CZ-O 3.29Å; F98-L280 WeakPolarHBondContact CZ-O 3.09Å; L137-L280 HydrophobicContact CD1-CD1 4.46Å; L137-L280 HydrophobicContact CD2-CD1 4.14Å; L137-L280 HydrophobicContact CG-CD1 3.86Å; V142-L280 HydrophobicContact CG2-CD1 4.12Å; Y253-L280 HydrophobicContact CD1-CD2 3.9Å; Y253-L280 HydrophobicContact CD1-CG 3.83Å; Y253-L280 HydrophobicContact CE1-CD2 3.36Å; Y253-L280 HydrophobicContact CE1-CG 3.78Å; S276-L280 WeakPolarHBondContact O-CG 2.88Å; S276-L280 PolarHBondContact O-N 2.91Å; L277-L280 PolarHBondContact O-N 3.23Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.36Å; L280-E283 WeakPolarHBondContact O-CA 3.22Å; L280-E283 WeakPolarHBondContact O-CB 3.39Å; L280-E283 PolarHBondContact O-N 3.13Å; L280-L284 PolarHBondContact O-N 3.27Å
281	L	88.7	Confident	76.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-36.2	179.8	-67.5	-175.7	0	0	0	112.5	F113 A117 L277 L284 L345 I346	F113-L281 HydrophobicContact CD2-CD2 4.35Å; F113-L281 HydrophobicContact CE2-CB 3.71Å; F113-L281 HydrophobicContact CE2-CD2 3.81Å; F113-L281 HydrophobicContact CE2-CG 4.19Å; F113-L281 HydrophobicContact CZ-CB 3.93Å; F113-L281 HydrophobicContact CZ-CD1 4.04Å; F113-L281 HydrophobicContact CZ-CD2 4.07Å; F113-L281 HydrophobicContact CZ-CG 4.22Å; A117-L281 HydrophobicContact CB-CD1 3.96Å; A117-L281 HydrophobicContact CB-CD2 3.72Å; L277-L281 HydrophobicContact CD1-CD1 3.8Å; L277-L281 HydrophobicContact CD1-CD2 4.1Å; L277-L281 HydrophobicContact CD1-CG 3.67Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 VanDerWaalsContact O-CG 3.31Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.31Å; L281-L284 HydrophobicContact CD2-CD1 4.25Å; L281-L284 PolarHBondContact O-N 3.09Å; L281-L345 HydrophobicContact CD1-CD2 3.66Å; L281-L345 HydrophobicContact CD1-CG 4.09Å; L281-I346 HydrophobicContact CB-CD1 4.16Å; L281-I346 HydrophobicContact CB-CG1 3.81Å
282	L	86.1	Confident	75.7	Confident	1 Å²	1	26 Å²	26	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-44.6	171.8	178.5	60.6	0	0	0	111.2	G278 I279 L280 L284 L285 L286 L313 V316 L317 W338 I346	G278-L282 VanDerWaalsContact O-CB 3.29Å; G278-L282 WeakPolarHBondContact O-CB 3.48Å; G278-L282 PolarHBondContact O-N 2.96Å; I279-L282 PolarHBondContact O-N 3.16Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.36Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.48Å; L282-L285 PolarHBondContact O-N 3.22Å; L282-L285 VanDerWaalsContact O-N 3.13Å; L282-L286 HydrophobicContact CD1-CD1 4.22Å; L282-L286 HydrophobicContact CD1-CG 4.3Å; L282-L286 HydrophobicContact CG-CD1 4.01Å; L282-L286 HydrophobicContact CG-CG 4.49Å; L282-L286 WeakPolarHBondContact O-CG 3.19Å; L282-L286 PolarHBondContact O-N 2.93Å; L282-L313 HydrophobicContact CD1-CD1 4.08Å; L282-L313 HydrophobicContact CD2-CD1 4.36Å; L282-V316 HydrophobicContact CD2-CG1 3.84Å; L282-L317 HydrophobicContact CD1-CD2 4Å; L282-W338 HydrophobicContact CD1-CH2 3.73Å; L282-W338 HydrophobicContact CD1-CZ3 3.85Å; L282-I346 HydrophobicContact CB-CD1 4.49Å; L282-I346 HydrophobicContact CB-CG2 4.3Å
283	E	83.9	Confident	74.5	Confident	7 Å²	7	29 Å²	29	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-37.6	178.9	-172.6	169.1	-149.3	0	0	112.7	L102 Y253 I279 L280 L285 L286 F290	L102-E283 HydrophobicContact CD1-CG 3.87Å; L102-E283 HydrophobicContact CD2-CG 4.11Å; Y253-E283 PolarHBondContact OH-OE2 2.82Å; I279-E283 WeakPolarHBondContact O-CB 3.24Å; I279-E283 PolarHBondContact O-N 2.89Å; L280-E283 WeakPolarHBondContact O-CA 3.22Å; L280-E283 WeakPolarHBondContact O-CB 3.39Å; L280-E283 PolarHBondContact O-N 3.13Å; E283-L285 PolarHBondContact O-N 3.01Å; E283-L286 PolarHBondContact O-N 3.08Å; E283-F290 HydrophobicContact CB-CD2 4.49Å; E283-F290 HydrophobicContact CB-CE2 4.26Å; E283-F290 HydrophobicContact CG-CD2 4.06Å; E283-F290 HydrophobicContact CG-CE2 4.32Å
284	L	84.7	Confident	72.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-33	174.7	-87.7	169.7	0	0	0	113.3	F98 L101 L102 R109 F113 V116 L280 L281 L282	F98-L284 HydrophobicContact CE1-CG 4.38Å; F98-L284 HydrophobicContact CE2-CD1 3.56Å; F98-L284 HydrophobicContact CE2-CD2 4.22Å; F98-L284 HydrophobicContact CE2-CG 3.7Å; F98-L284 HydrophobicContact CZ-CD1 3.84Å; F98-L284 HydrophobicContact CZ-CD2 4.12Å; F98-L284 HydrophobicContact CZ-CG 3.47Å; F98-L284 VanDerWaalsContact CZ-CG 3.47Å; L101-L284 HydrophobicContact CB-CD2 3.73Å; L101-L284 HydrophobicContact CD1-CD2 3.9Å; L101-L284 HydrophobicContact CG-CD2 4.47Å; L102-L284 HydrophobicContact CD2-CD2 4.28Å; R109-L284 WeakPolarHBondContact CD-O 3.42Å; R109-L284 HydrophobicContact CG-CD2 4.41Å; R109-L284 PolarHBondContact NH1-O 2.89Å; R109-L284 VanDerWaalsContact NH1-O 3.08Å; F113-L284 HydrophobicContact CD2-CB 4.38Å; F113-L284 HydrophobicContact CD2-CD1 4.37Å; V116-L284 HydrophobicContact CB-CD1 4.42Å; V116-L284 HydrophobicContact CG1-CD1 4.21Å; L280-L284 PolarHBondContact O-N 3.27Å; L281-L284 HydrophobicContact CD2-CD1 4.25Å; L281-L284 PolarHBondContact O-N 3.09Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.48Å
285	L	81.7	Confident	71.1	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-96.2	-5.8	-172.7	-57.3	174.6	0	0	0	113.6	L110 F113 L282 E283 W338 F342 I346	L110-L285 HydrophobicContact CD2-CD2 3.4Å; L110-L285 VanDerWaalsContact CD2-CD2 3.4Å; L110-L285 HydrophobicContact CG-CD2 4.45Å; F113-L285 HydrophobicContact CD2-CD1 3.84Å; F113-L285 HydrophobicContact CD2-CD2 3.68Å; F113-L285 HydrophobicContact CD2-CG 3.82Å; F113-L285 HydrophobicContact CE2-CD1 3.41Å; F113-L285 VanDerWaalsContact CE2-CD1 3.41Å; F113-L285 HydrophobicContact CE2-CD2 4.13Å; F113-L285 HydrophobicContact CE2-CG 3.78Å; F113-L285 HydrophobicContact CG-CD2 4.32Å; F113-L285 HydrophobicContact CZ-CD1 3.96Å; L282-L285 PolarHBondContact O-N 3.22Å; L282-L285 VanDerWaalsContact O-N 3.13Å; E283-L285 PolarHBondContact O-N 3.01Å; L285-W338 HydrophobicContact CB-CE3 3.35Å; L285-W338 HydrophobicContact CB-CZ3 3.64Å; L285-W338 HydrophobicContact CD1-CD2 3.96Å; L285-W338 HydrophobicContact CD1-CE3 3Å; L285-W338 HydrophobicContact CD1-CH2 4.5Å; L285-W338 HydrophobicContact CD1-CZ3 3.32Å; L285-W338 HydrophobicContact CG-CE3 3.7Å; L285-W338 HydrophobicContact CG-CZ3 4.04Å; L285-F342 HydrophobicContact CD1-CB 3.93Å; L285-F342 HydrophobicContact CD1-CD2 4.1Å; L285-F342 HydrophobicContact CD1-CG 4.49Å; L285-F342 HydrophobicContact CD2-CD2 3.97Å; L285-F342 HydrophobicContact CD2-CE2 4.47Å; L285-I346 HydrophobicContact CD1-CD1 3.6Å
286	L	75.5	Confident	69.5	Low	18 Å²	18	37.1 Å²	37.1	9%	0.094	19%	0.188	C	C	.	.	S	Bend	trans	-92.3	133.4	175.9	-65.8	176.4	0	0	0	110.1	R109 L282 E283 R288 F290 L320 L326	R109-L286 PolarHBondContact NH1-O 3.44Å; L282-L286 HydrophobicContact CD1-CD1 4.22Å; L282-L286 HydrophobicContact CD1-CG 4.3Å; L282-L286 HydrophobicContact CG-CD1 4.01Å; L282-L286 HydrophobicContact CG-CG 4.49Å; L282-L286 WeakPolarHBondContact O-CG 3.19Å; L282-L286 PolarHBondContact O-N 2.93Å; E283-L286 PolarHBondContact O-N 3.08Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.32Å; L286-F290 HydrophobicContact CD1-CE2 3.87Å; L286-F290 HydrophobicContact CD1-CZ 3.84Å; L286-L320 HydrophobicContact CD1-CD1 3.8Å; L286-L326 HydrophobicContact CD2-CD1 3.54Å
287	V	59.4	Low	67.9	Low	53 Å²	53	38.9 Å²	38.9	32%	0.321	20%	0.201	S	C	.	.	S	Bend	trans	-65.9	-31.1	-171.1	-179.7	0	0	0	0	112.5	E329	V287-E329 VanDerWaalsContact CG2-OE2 3.26Å; V287-E329 WeakPolarHBondContact CG2-OE2 3.49Å
288	R	57.9	Low	66.1	Low	192 Å²	192	47 Å²	47	73%	0.725	23%	0.231	S	C	*	.	S	Bend	trans	-107.7	131.7	174.3	-80.6	-175.9	167.4	179.1	-4.6	110.4	L286	L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.32Å
289	S	54.1	Low	64.3	Low	74 Å²	74	47.1 Å²	47.1	52%	0.517	23%	0.232	S	C	.	.			trans	-56.7	141.7	162.4	60.3	0	0	0	0	109.1	D291	S289-D291 PolarHBondContact O-N 3.27Å; S289-D291 VanDerWaalsContact O-N 3.1Å
290	F	54.2	Low	62.6	Low	33 Å²	33	47.4 Å²	47.4	15%	0.145	23%	0.234	C	C	.	.			trans	-65	113	173.8	-69.6	-97.9	0	0	0	110.1	E283 L286 F292 L320	E283-F290 HydrophobicContact CB-CD2 4.49Å; E283-F290 HydrophobicContact CB-CE2 4.26Å; E283-F290 HydrophobicContact CG-CD2 4.06Å; E283-F290 HydrophobicContact CG-CE2 4.32Å; L286-F290 HydrophobicContact CD1-CE2 3.87Å; L286-F290 HydrophobicContact CD1-CZ 3.84Å; F290-F292 VanDerWaalsContact C-N 3.28Å; F290-F292 HydrophobicContact CB-CD1 4.06Å; F290-F292 HydrophobicContact CB-CD2 3.13Å; F290-F292 HydrophobicContact CB-CE1 3.94Å; F290-F292 HydrophobicContact CB-CE2 3Å; F290-F292 HydrophobicContact CB-CG 3.67Å; F290-F292 HydrophobicContact CB-CZ 3.43Å; F290-F292 VanDerWaalsContact CB-CZ 3.43Å; F290-F292 HydrophobicContact CD1-CD1 4.14Å; F290-F292 HydrophobicContact CD1-CD2 4.39Å; F290-F292 AromaticContact CD1-CE1 3.36Å; F290-F292 HydrophobicContact CD1-CE1 3.36Å; F290-F292 AromaticContact CD1-CE2 3.69Å; F290-F292 HydrophobicContact CD1-CE2 3.69Å; F290-F292 AromaticContact CD1-CZ 3.09Å; F290-F292 HydrophobicContact CD1-CZ 3.09Å; F290-F292 AromaticContact CD2-CE2 3.64Å; F290-F292 HydrophobicContact CD2-CE2 3.64Å; F290-F292 AromaticContact CD2-CZ 3.7Å; F290-F292 HydrophobicContact CD2-CZ 3.7Å; F290-F292 AromaticContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE2 4.41Å; F290-F292 AromaticContact CE1-CZ 3.53Å; F290-F292 HydrophobicContact CE1-CZ 3.53Å; F290-F292 HydrophobicContact CE2-CE2 4.44Å; F290-F292 HydrophobicContact CE2-CZ 4.14Å; F290-F292 HydrophobicContact CG-CD1 4.44Å; F290-F292 AromaticContact CG-CD2 3.9Å; F290-F292 HydrophobicContact CG-CD2 3.9Å; F290-F292 AromaticContact CG-CE1 3.84Å; F290-F292 HydrophobicContact CG-CE1 3.84Å; F290-F292 AromaticContact CG-CE2 3.22Å; F290-F292 HydrophobicContact CG-CE2 3.22Å; F290-F292 HydrophobicContact CG-CG 4.46Å; F290-F292 AromaticContact CG-CZ 3.17Å; F290-F292 HydrophobicContact CG-CZ 3.17Å; F290-F292 HydrophobicContact CZ-CZ 4.07Å; F290-F292 PolarHBondContact O-N 3.02Å; F290-L320 HydrophobicContact CD1-CD2 4.23Å; F290-L320 HydrophobicContact CE1-CD1 4.24Å; F290-L320 HydrophobicContact CE1-CD2 3.32Å; F290-L320 HydrophobicContact CE1-CG 4.42Å; F290-L320 HydrophobicContact CZ-CD1 4.03Å; F290-L320 HydrophobicContact CZ-CD2 3.98Å
291	D	51.7	Low	60.8	Low	104 Å²	104	53 Å²	53	56%	0.556	26%	0.261	S	S	*	.			trans	-76.8	90	160.2	-161.8	-12.7	0	0	0	107.8	S289 T293 R325	S289-D291 PolarHBondContact O-N 3.27Å; S289-D291 VanDerWaalsContact O-N 3.1Å; D291-T293 VanDerWaalsContact C-N 3.33Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.38Å; D291-T293 PolarHBondContact OD1-OG1 3.34Å; D291-R325 PolarHBondContact O-NH1 2.9Å
292	F	49.9	Very low	59.2	Low	22 Å²	22	54 Å²	54	10%	0.096	27%	0.266	C	S	.	.			trans	-88.1	3.1	-175.8	-75.6	-70	0	0	0	113.9	Y252 F290 E294 L295	Y252-F292 HydrophobicContact CD1-CB 4.04Å; Y252-F292 AromaticContact CD1-CD1 3.66Å; Y252-F292 HydrophobicContact CD1-CD1 3.66Å; Y252-F292 HydrophobicContact CD1-CD2 4.12Å; Y252-F292 HydrophobicContact CD1-CE1 4.01Å; Y252-F292 HydrophobicContact CD1-CE2 4.4Å; Y252-F292 AromaticContact CD1-CG 3.75Å; Y252-F292 HydrophobicContact CD1-CG 3.75Å; Y252-F292 HydrophobicContact CD1-CZ 4.36Å; Y252-F292 HydrophobicContact CD2-CB 3.79Å; Y252-F292 HydrophobicContact CD2-CD1 4.3Å; Y252-F292 AromaticContact CD2-CD2 3.27Å; Y252-F292 HydrophobicContact CD2-CD2 3.27Å; Y252-F292 AromaticContact CD2-CE2 3.76Å; Y252-F292 HydrophobicContact CD2-CE2 3.76Å; Y252-F292 AromaticContact CD2-CG 3.59Å; Y252-F292 HydrophobicContact CD2-CG 3.59Å; Y252-F292 HydrophobicContact CD2-CZ 4.48Å; Y252-F292 HydrophobicContact CE1-CB 3.52Å; Y252-F292 AromaticContact CE1-CD1 3.85Å; Y252-F292 HydrophobicContact CE1-CD1 3.85Å; Y252-F292 HydrophobicContact CE1-CD2 4.44Å; Y252-F292 AromaticContact CE1-CG 3.77Å; Y252-F292 HydrophobicContact CE1-CG 3.77Å; Y252-F292 HydrophobicContact CE2-CB 3.23Å; Y252-F292 HydrophobicContact CE2-CD1 4.48Å; Y252-F292 AromaticContact CE2-CD2 3.66Å; Y252-F292 HydrophobicContact CE2-CD2 3.66Å; Y252-F292 AromaticContact CE2-CG 3.62Å; Y252-F292 HydrophobicContact CE2-CG 3.62Å; Y252-F292 HydrophobicContact CG-CB 4.19Å; Y252-F292 AromaticContact CG-CD1 3.93Å; Y252-F292 HydrophobicContact CG-CD1 3.93Å; Y252-F292 AromaticContact CG-CD2 3.57Å; Y252-F292 HydrophobicContact CG-CD2 3.57Å; Y252-F292 HydrophobicContact CG-CE1 4.09Å; Y252-F292 AromaticContact CG-CE2 3.7Å; Y252-F292 HydrophobicContact CG-CE2 3.7Å; Y252-F292 AromaticContact CG-CG 3.7Å; Y252-F292 HydrophobicContact CG-CG 3.7Å; Y252-F292 AromaticContact CG-CZ 3.98Å; Y252-F292 HydrophobicContact CG-CZ 3.98Å; Y252-F292 AromaticContact CZ-CG 3.74Å; Y252-F292 VanDerWaalsContact OH-CB 3.31Å; Y252-F292 WeakPolarHBondContact OH-CB 3.11Å; Y252-F292 PolarHBondContact OH-O 3Å; F290-F292 VanDerWaalsContact C-N 3.28Å; F290-F292 HydrophobicContact CB-CD1 4.06Å; F290-F292 HydrophobicContact CB-CD2 3.13Å; F290-F292 HydrophobicContact CB-CE1 3.94Å; F290-F292 HydrophobicContact CB-CE2 3Å; F290-F292 HydrophobicContact CB-CG 3.67Å; F290-F292 HydrophobicContact CB-CZ 3.43Å; F290-F292 VanDerWaalsContact CB-CZ 3.43Å; F290-F292 HydrophobicContact CD1-CD1 4.14Å; F290-F292 HydrophobicContact CD1-CD2 4.39Å; F290-F292 AromaticContact CD1-CE1 3.36Å; F290-F292 HydrophobicContact CD1-CE1 3.36Å; F290-F292 AromaticContact CD1-CE2 3.69Å; F290-F292 HydrophobicContact CD1-CE2 3.69Å; F290-F292 AromaticContact CD1-CZ 3.09Å; F290-F292 HydrophobicContact CD1-CZ 3.09Å; F290-F292 AromaticContact CD2-CE2 3.64Å; F290-F292 HydrophobicContact CD2-CE2 3.64Å; F290-F292 AromaticContact CD2-CZ 3.7Å; F290-F292 HydrophobicContact CD2-CZ 3.7Å; F290-F292 AromaticContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE1 3.87Å; F290-F292 HydrophobicContact CE1-CE2 4.41Å; F290-F292 AromaticContact CE1-CZ 3.53Å; F290-F292 HydrophobicContact CE1-CZ 3.53Å; F290-F292 HydrophobicContact CE2-CE2 4.44Å; F290-F292 HydrophobicContact CE2-CZ 4.14Å; F290-F292 HydrophobicContact CG-CD1 4.44Å; F290-F292 AromaticContact CG-CD2 3.9Å; F290-F292 HydrophobicContact CG-CD2 3.9Å; F290-F292 AromaticContact CG-CE1 3.84Å; F290-F292 HydrophobicContact CG-CE1 3.84Å; F290-F292 AromaticContact CG-CE2 3.22Å; F290-F292 HydrophobicContact CG-CE2 3.22Å; F290-F292 HydrophobicContact CG-CG 4.46Å; F290-F292 AromaticContact CG-CZ 3.17Å; F290-F292 HydrophobicContact CG-CZ 3.17Å; F290-F292 HydrophobicContact CZ-CZ 4.07Å; F290-F292 PolarHBondContact O-N 3.02Å; F292-E294 PolarHBondContact O-N 2.61Å; F292-L295 HydrophobicContact CD1-CB 4.1Å; F292-L295 HydrophobicContact CD1-CD1 3.74Å; F292-L295 HydrophobicContact CD1-CG 4.46Å; F292-L295 HydrophobicContact CE1-CD1 4.3Å; F292-L295 PolarHBondContact O-N 3.18Å
293	T	48.8	Very low	57.8	Low	69 Å²	69	55 Å²	55	42%	0.423	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.7	-179.2	48	0	0	0	0	113	D291	D291-T293 VanDerWaalsContact C-N 3.33Å; D291-T293 WeakPolarHBondContact OD1-CG2 3.38Å; D291-T293 PolarHBondContact OD1-OG1 3.34Å
294	E	47.7	Very low	56.5	Low	152 Å²	152	59.9 Å²	59.9	71%	0.71	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.6	177.3	-68.6	-170.7	147.4	0	0	116.1	F292 R325	F292-E294 PolarHBondContact O-N 2.61Å; E294-R325 IonicContact OE2-NH2 3.92Å
295	L	49.4	Very low	55.4	Low	9 Å²	9	61.6 Å²	61.6	5%	0.047	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-13.4	-162.7	-104.7	138.7	0	0	0	116.3	Y252 F292 S297 R298 L299 L302 W319	Y252-L295 HydrophobicContact CE1-CB 4.47Å; F292-L295 HydrophobicContact CD1-CB 4.1Å; F292-L295 HydrophobicContact CD1-CD1 3.74Å; F292-L295 HydrophobicContact CD1-CG 4.46Å; F292-L295 HydrophobicContact CE1-CD1 4.3Å; F292-L295 PolarHBondContact O-N 3.18Å; L295-S297 VanDerWaalsContact C-N 3.28Å; L295-S297 PolarHBondContact O-N 3.09Å; L295-R298 CarbonylContact O-C 3.43Å; L295-R298 PolarHBondContact O-N 2.73Å; L295-L299 HydrophobicContact CB-CD1 4.01Å; L295-L299 HydrophobicContact CD2-CD1 3.8Å; L295-L299 HydrophobicContact CG-CD1 4.49Å; L295-L299 PolarHBondContact O-N 2.84Å; L295-L302 HydrophobicContact CD2-CD2 3.61Å; L295-W319 HydrophobicContact CD1-CH2 3.93Å; L295-W319 HydrophobicContact CD2-CH2 3.64Å; L295-W319 HydrophobicContact CD2-CZ2 3.95Å; L295-W319 HydrophobicContact CG-CH2 4.42Å
296	S	50.8	Low	54.3	Low	22 Å²	22	62 Å²	62	15%	0.154	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.2	-170.7	67.2	0	0	0	0	113.6	A245 R298	A245-S296 WeakPolarHBondContact CA-OG 3.45Å; A245-S296 WeakPolarHBondContact CB-OG 3.44Å; S296-R298 VanDerWaalsContact C-N 3.33Å; S296-R298 PolarHBondContact O-N 3.15Å
297	S	50	Low	53.7	Low	42 Å²	42	61.9 Å²	61.9	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.3	-179.7	61.4	0	0	0	0	113.7	L295	L295-S297 VanDerWaalsContact C-N 3.28Å; L295-S297 PolarHBondContact O-N 3.09Å
298	R	51.6	Low	53.4	Low	169 Å²	169	66.5 Å²	66.5	64%	0.638	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-10.3	-177.9	-71.4	-177.8	174.4	175.1	-0.4	113.6	L295 S296 V300 E301 L302	L295-R298 CarbonylContact O-C 3.43Å; L295-R298 PolarHBondContact O-N 2.73Å; S296-R298 VanDerWaalsContact C-N 3.33Å; S296-R298 PolarHBondContact O-N 3.15Å; R298-V300 PolarHBondContact O-N 3.32Å; R298-E301 PolarHBondContact O-N 2.74Å; R298-L302 WeakPolarHBondContact O-CA 3.09Å; R298-L302 WeakPolarHBondContact O-CB 3.45Å; R298-L302 PolarHBondContact O-N 3.32Å
299	L	51.6	Low	53.5	Low	4 Å²	4	66.7 Å²	66.7	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-34.3	-167.1	-150.3	92.5	0	0	0	114.7	Y252 L295 L302 W303	Y252-L299 HydrophobicContact CD1-CD1 3.46Å; Y252-L299 VanDerWaalsContact CD1-CD1 3.46Å; Y252-L299 HydrophobicContact CD1-CD2 3.83Å; Y252-L299 HydrophobicContact CD1-CG 4.25Å; Y252-L299 HydrophobicContact CE1-CD1 3.86Å; L295-L299 HydrophobicContact CB-CD1 4.01Å; L295-L299 HydrophobicContact CD2-CD1 3.8Å; L295-L299 HydrophobicContact CG-CD1 4.49Å; L295-L299 PolarHBondContact O-N 2.84Å; L299-L302 HydrophobicContact CD1-CD2 3.99Å; L299-L302 HydrophobicContact CG-CD2 4.3Å; L299-L302 VanDerWaalsContact O-CB 3.29Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; L299-W303 PolarHBondContact O-N 2.84Å
300	V	49.5	Very low	53.9	Low	11 Å²	11	68.2 Å²	68.2	7%	0.067	33%	0.333	C	S	.	.	H	α-helix	trans	-81.5	-37.7	177.9	167.9	0	0	0	0	112.2	V182 C186 Y259 R298 L302 W303 L304	V182-V300 HydrophobicContact CB-CG2 4.33Å; V182-V300 HydrophobicContact CG1-CB 3.51Å; V182-V300 HydrophobicContact CG1-CG1 4.39Å; V182-V300 HydrophobicContact CG1-CG2 3.21Å; C186-V300 WeakPolarHBondContact SG-CG1 3.45Å; Y259-V300 HydrophobicContact CD1-CG2 3.67Å; Y259-V300 HydrophobicContact CD2-CG2 3.98Å; Y259-V300 HydrophobicContact CE1-CG2 3.86Å; Y259-V300 HydrophobicContact CE2-CG2 4.16Å; Y259-V300 HydrophobicContact CG-CG2 3.73Å; R298-V300 PolarHBondContact O-N 3.32Å; V300-L302 PolarHBondContact O-N 3.4Å; V300-W303 PolarHBondContact O-N 2.73Å; V300-L304 HydrophobicContact CG1-CD1 3.71Å; V300-L304 HydrophobicContact CG1-CG 4.19Å; V300-L304 VanDerWaalsContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CB 3.49Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.02Å
301	E	50.4	Low	54.8	Low	119 Å²	119	69.6 Å²	69.6	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-60	-35.4	166.9	-72.6	-174.9	171.6	0	0	111.2	R298 G305	R298-E301 PolarHBondContact O-N 2.74Å; E301-G305 WeakPolarHBondContact O-CA 3.43Å; E301-G305 PolarHBondContact O-N 3.11Å
302	L	54	Low	56	Low	21 Å²	21	64.7 Å²	64.7	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-56	174.4	169.5	74.4	0	0	0	111.2	L295 R298 L299 V300 L304 G305 V306 W319	L295-L302 HydrophobicContact CD2-CD2 3.61Å; R298-L302 WeakPolarHBondContact O-CA 3.09Å; R298-L302 WeakPolarHBondContact O-CB 3.45Å; R298-L302 PolarHBondContact O-N 3.32Å; L299-L302 HydrophobicContact CD1-CD2 3.99Å; L299-L302 HydrophobicContact CG-CD2 4.3Å; L299-L302 VanDerWaalsContact O-CB 3.29Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; V300-L302 PolarHBondContact O-N 3.4Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.27Å; L302-G305 PolarHBondContact O-N 3.37Å; L302-V306 HydrophobicContact CD1-CG2 3.44Å; L302-V306 VanDerWaalsContact CD1-CG2 3.44Å; L302-V306 HydrophobicContact CG-CG2 4.21Å; L302-V306 WeakPolarHBondContact O-CB 3.5Å; L302-V306 VanDerWaalsContact O-CG2 3.24Å; L302-V306 WeakPolarHBondContact O-CG2 3.49Å; L302-V306 PolarHBondContact O-N 3.44Å; L302-W319 HydrophobicContact CD1-CD2 3.4Å; L302-W319 VanDerWaalsContact CD1-CD2 3.4Å; L302-W319 HydrophobicContact CD1-CE3 3.98Å; L302-W319 HydrophobicContact CD1-CG 3.86Å; L302-W319 HydrophobicContact CD1-CH2 3.82Å; L302-W319 HydrophobicContact CD1-CZ2 3.23Å; L302-W319 HydrophobicContact CD1-CZ3 4.15Å; L302-W319 HydrophobicContact CD2-CE3 4.4Å; L302-W319 HydrophobicContact CD2-CH2 3.57Å; L302-W319 HydrophobicContact CD2-CZ2 3.81Å; L302-W319 HydrophobicContact CD2-CZ3 3.88Å; L302-W319 HydrophobicContact CG-CH2 4.35Å; L302-W319 HydrophobicContact CG-CZ2 4.14Å
303	W	58.2	Low	57.5	Low	21 Å²	21	63.7 Å²	63.7	8%	0.08	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-43	-179.3	-73.8	129.1	0	0	0	111.3	W275 I279 L299 V300 G305 I307 V316	W275-W303 HydrophobicContact CH2-CZ3 4.31Å; W275-W303 HydrophobicContact CZ2-CD2 4.47Å; W275-W303 AromaticContact CZ2-CE3 4Å; W275-W303 HydrophobicContact CZ2-CE3 4Å; W275-W303 AromaticContact CZ2-CH2 3.87Å; W275-W303 HydrophobicContact CZ2-CH2 3.87Å; W275-W303 HydrophobicContact CZ2-CZ2 4.35Å; W275-W303 AromaticContact CZ2-CZ3 3.66Å; W275-W303 HydrophobicContact CZ2-CZ3 3.66Å; I279-W303 HydrophobicContact CD1-CH2 3.64Å; I279-W303 HydrophobicContact CD1-CZ2 4.21Å; L299-W303 PolarHBondContact O-N 2.84Å; V300-W303 PolarHBondContact O-N 2.73Å; W303-G305 VanDerWaalsContact C-N 3.32Å; W303-G305 PolarHBondContact O-N 3.24Å; W303-I307 HydrophobicContact CB-CD1 4.17Å; W303-I307 HydrophobicContact CD2-CD1 4.28Å; W303-I307 HydrophobicContact CE3-CD1 3.56Å; W303-I307 HydrophobicContact CE3-CG1 3.95Å; W303-I307 HydrophobicContact CZ3-CD1 4.3Å; W303-I307 WeakPolarHBondContact O-CB 3.31Å; W303-I307 WeakPolarHBondContact O-CD1 3.3Å; W303-I307 WeakPolarHBondContact O-CG1 3.45Å; W303-I307 PolarHBondContact O-N 2.83Å; W303-I307 VanDerWaalsContact O-N 3.1Å; W303-V316 HydrophobicContact CZ3-CG2 3.8Å
304	L	55.9	Low	59	Low	109 Å²	109	62.4 Å²	62.4	57%	0.571	31%	0.305	S	S	*	.	H	α-helix	trans	-65.4	-34.4	176.1	-66.7	172.2	0	0	0	112.4	V260 V300 L302	V260-L304 HydrophobicContact CG2-CD2 4.5Å; V300-L304 HydrophobicContact CG1-CD1 3.71Å; V300-L304 HydrophobicContact CG1-CG 4.19Å; V300-L304 VanDerWaalsContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CB 3.49Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 3.02Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.27Å
305	G	60.6	Low	60.4	Low	37 Å²	37	56.6 Å²	56.6	38%	0.381	28%	0.281	S	S	.	.	H	α-helix	trans	-85.8	-32.1	-177.4	0	0	0	0	0	114.7	E301 L302 W303 Q308	E301-G305 WeakPolarHBondContact O-CA 3.43Å; E301-G305 PolarHBondContact O-N 3.11Å; L302-G305 PolarHBondContact O-N 3.37Å; W303-G305 VanDerWaalsContact C-N 3.32Å; W303-G305 PolarHBondContact O-N 3.24Å; G305-Q308 VanDerWaalsContact O-CG 3.31Å; G305-Q308 WeakPolarHBondContact O-CG 3.5Å; G305-Q308 PolarHBondContact O-NE2 2.73Å; G305-Q308 VanDerWaalsContact O-NE2 3.08Å
306	V	60	Low	61.7	Low	22 Å²	22	56.5 Å²	56.5	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-84.1	-38.1	-179.3	172.2	0	0	0	0	110.6	L302 Q308 S315 V316 W319	L302-V306 HydrophobicContact CD1-CG2 3.44Å; L302-V306 VanDerWaalsContact CD1-CG2 3.44Å; L302-V306 HydrophobicContact CG-CG2 4.21Å; L302-V306 WeakPolarHBondContact O-CB 3.5Å; L302-V306 VanDerWaalsContact O-CG2 3.24Å; L302-V306 WeakPolarHBondContact O-CG2 3.49Å; L302-V306 PolarHBondContact O-N 3.44Å; V306-Q308 PolarHBondContact O-N 3.07Å; V306-S315 VanDerWaalsContact CG1-C 3.49Å; V306-S315 WeakPolarHBondContact CG1-O 3.08Å; V306-S315 VanDerWaalsContact O-CB 3.25Å; V306-S315 WeakPolarHBondContact O-CB 3.08Å; V306-V316 HydrophobicContact CG1-CG2 4.4Å; V306-W319 HydrophobicContact CG1-CB 4.03Å; V306-W319 HydrophobicContact CG2-CB 3.73Å; V306-W319 HydrophobicContact CG2-CD2 4.28Å; V306-W319 HydrophobicContact CG2-CG 3.56Å
307	I	61.4	Low	63	Low	15 Å²	15	55.6 Å²	55.6	8%	0.077	27%	0.274	C	S	.	.			trans	-88.9	58.5	-175.2	-41.5	164.2	0	0	0	110.9	P256 W275 W303 V312 L352	P256-I307 HydrophobicContact CB-CD1 4.17Å; P256-I307 HydrophobicContact CG-CD1 3.29Å; W275-I307 HydrophobicContact CH2-CD1 3.62Å; W275-I307 HydrophobicContact CZ2-CD1 4.16Å; W303-I307 HydrophobicContact CB-CD1 4.17Å; W303-I307 HydrophobicContact CD2-CD1 4.28Å; W303-I307 HydrophobicContact CE3-CD1 3.56Å; W303-I307 HydrophobicContact CE3-CG1 3.95Å; W303-I307 HydrophobicContact CZ3-CD1 4.3Å; W303-I307 WeakPolarHBondContact O-CB 3.31Å; W303-I307 WeakPolarHBondContact O-CD1 3.3Å; W303-I307 WeakPolarHBondContact O-CG1 3.45Å; W303-I307 PolarHBondContact O-N 2.83Å; W303-I307 VanDerWaalsContact O-N 3.1Å; I307-V312 HydrophobicContact CG1-CG1 4.27Å; I307-V312 HydrophobicContact CG2-CB 4.31Å; I307-V312 HydrophobicContact CG2-CG1 3.84Å; I307-V312 HydrophobicContact CG2-CG2 3.76Å; I307-L352 HydrophobicContact CB-CD2 4.19Å; I307-L352 HydrophobicContact CG2-CD1 3.63Å; I307-L352 HydrophobicContact CG2-CD2 3.36Å; I307-L352 HydrophobicContact CG2-CG 3.4Å
308	Q	54.7	Low	64.3	Low	150 Å²	150	56.5 Å²	56.5	70%	0.701	28%	0.281	S	S	*	.	S	Bend	trans	-83.3	-26.5	177.9	-69.6	-178.3	6.6	0	0	113	G305 V306	G305-Q308 VanDerWaalsContact O-CG 3.31Å; G305-Q308 WeakPolarHBondContact O-CG 3.5Å; G305-Q308 PolarHBondContact O-NE2 2.73Å; G305-Q308 VanDerWaalsContact O-NE2 3.08Å; V306-Q308 PolarHBondContact O-N 3.07Å
309	R	59.2	Low	65.4	Low	196 Å²	196	50.4 Å²	50.4	74%	0.74	26%	0.258	S	S	*	.	S	Bend	trans	-151.9	153.9	-174	-62	-173.5	-179.3	178.1	-0.4	112	S315	R309-S315 PolarHBondContact O-OG 3.19Å
310	E	62.1	Low	66.4	Low	105 Å²	105	50.3 Å²	50.3	49%	0.491	26%	0.257	S	S	.	.	S	Bend	trans	-78.7	147.2	166.4	-75.2	-177.3	173.9	0	0	111	V312	E310-V312 HydrophobicContact CG-CG2 4.37Å
311	P	74	Confident	67.6	Low	62 Å²	62	54.2 Å²	54.2	40%	0.403	27%	0.271	S	S	.	.			cis	-82.3	130.3	1.7	31.8	-33.4	0	0	0	112.7	L313 L314 S315	P311-L313 VanDerWaalsContact C-N 3.3Å; P311-L313 PolarHBondContact O-N 2.89Å; P311-L314 HydrophobicContact CG-CB 4.07Å; P311-L314 HydrophobicContact CG-CD1 3.52Å; P311-L314 HydrophobicContact CG-CG 3.74Å; P311-L314 PolarHBondContact O-N 3.32Å; P311-L314 VanDerWaalsContact O-N 3.1Å; P311-S315 PolarHBondContact O-N 3.41Å
312	V	77.2	Confident	68.7	Low	1 Å²	1	56.7 Å²	56.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-42.8	-174.6	177.3	0	0	0	0	112.2	W275 I307 E310 L314 S315 V316 L350 L352	W275-V312 HydrophobicContact CH2-CG1 3.83Å; W275-V312 HydrophobicContact CZ3-CG1 4.14Å; I307-V312 HydrophobicContact CG1-CG1 4.27Å; I307-V312 HydrophobicContact CG2-CB 4.31Å; I307-V312 HydrophobicContact CG2-CG1 3.84Å; I307-V312 HydrophobicContact CG2-CG2 3.76Å; E310-V312 HydrophobicContact CG-CG2 4.37Å; V312-L314 VanDerWaalsContact C-N 3.3Å; V312-L314 PolarHBondContact O-N 2.72Å; V312-S315 WeakPolarHBondContact O-CB 3.45Å; V312-S315 PolarHBondContact O-N 3.27Å; V312-S315 VanDerWaalsContact O-N 3.09Å; V312-V316 HydrophobicContact CG1-CG2 4.25Å; V312-V316 WeakPolarHBondContact O-CG2 3.18Å; V312-V316 PolarHBondContact O-N 2.95Å; V312-L350 HydrophobicContact CB-CB 4.43Å; V312-L350 WeakPolarHBondContact CB-O 3.43Å; V312-L350 HydrophobicContact CG1-CB 4.22Å; V312-L352 HydrophobicContact CG2-CG 3.99Å
313	L	81.1	Confident	69.4	Low	2 Å²	2	59.7 Å²	59.7	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-56.5	-40.4	179.3	174.3	60	0	0	0	112.8	L282 P311 S315 V316 L317 W338 R343 I346 L350	L282-L313 HydrophobicContact CD1-CD1 4.08Å; L282-L313 HydrophobicContact CD2-CD1 4.36Å; P311-L313 VanDerWaalsContact C-N 3.3Å; P311-L313 PolarHBondContact O-N 2.89Å; L313-S315 VanDerWaalsContact C-N 3.34Å; L313-V316 PolarHBondContact O-N 2.87Å; L313-L317 HydrophobicContact CD1-CD1 4.02Å; L313-L317 HydrophobicContact CD1-CG 3.98Å; L313-L317 HydrophobicContact CG-CD1 4.06Å; L313-L317 HydrophobicContact CG-CG 4.44Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.31Å; L313-L317 PolarHBondContact O-N 3.49Å; L313-W338 HydrophobicContact CD1-CH2 4.32Å; L313-W338 HydrophobicContact CD2-CH2 4.33Å; L313-W338 HydrophobicContact CD2-CZ2 4.16Å; L313-R343 HydrophobicContact CD2-CG 3.98Å; L313-I346 HydrophobicContact CD1-CG2 3.79Å; L313-I346 HydrophobicContact CD2-CB 4.31Å; L313-I346 HydrophobicContact CD2-CG2 4.02Å; L313-I346 HydrophobicContact CG-CG2 4.45Å; L313-L350 HydrophobicContact CD1-CD1 4.23Å
314	L	80.2	Confident	69.8	Low	41 Å²	41	66.9 Å²	66.9	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-37.5	178.2	-70.3	-175.5	0	0	0	111.7	P311 V312 L317 S318 L333	P311-L314 HydrophobicContact CG-CB 4.07Å; P311-L314 HydrophobicContact CG-CD1 3.52Å; P311-L314 HydrophobicContact CG-CG 3.74Å; P311-L314 PolarHBondContact O-N 3.32Å; P311-L314 VanDerWaalsContact O-N 3.1Å; V312-L314 VanDerWaalsContact C-N 3.3Å; V312-L314 PolarHBondContact O-N 2.72Å; L314-L317 PolarHBondContact O-N 3.27Å; L314-S318 WeakPolarHBondContact O-CB 3.14Å; L314-S318 PolarHBondContact O-N 2.85Å; L314-L333 WeakPolarHBondContact CD2-O 3.41Å
315	S	76.7	Confident	70.1	Confident	30 Å²	30	64.9 Å²	64.9	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-44	175.4	-54.8	0	0	0	0	111.1	V306 R309 P311 V312 L313 S318 W319	V306-S315 VanDerWaalsContact CG1-C 3.49Å; V306-S315 WeakPolarHBondContact CG1-O 3.08Å; V306-S315 VanDerWaalsContact O-CB 3.25Å; V306-S315 WeakPolarHBondContact O-CB 3.08Å; R309-S315 PolarHBondContact O-OG 3.19Å; P311-S315 PolarHBondContact O-N 3.41Å; V312-S315 WeakPolarHBondContact O-CB 3.45Å; V312-S315 PolarHBondContact O-N 3.27Å; V312-S315 VanDerWaalsContact O-N 3.09Å; L313-S315 VanDerWaalsContact C-N 3.34Å; S315-S318 PolarHBondContact O-N 3.43Å; S315-W319 WeakPolarHBondContact O-CB 3.49Å; S315-W319 PolarHBondContact O-N 3.38Å
316	V	76.7	Confident	70.3	Confident	7 Å²	7	64 Å²	64	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-51.4	175.1	176.2	0	0	0	0	111.1	L282 W303 V306 V312 L313 S318 W319 L320	L282-V316 HydrophobicContact CD2-CG1 3.84Å; W303-V316 HydrophobicContact CZ3-CG2 3.8Å; V306-V316 HydrophobicContact CG1-CG2 4.4Å; V312-V316 HydrophobicContact CG1-CG2 4.25Å; V312-V316 WeakPolarHBondContact O-CG2 3.18Å; V312-V316 PolarHBondContact O-N 2.95Å; L313-V316 PolarHBondContact O-N 2.87Å; V316-S318 VanDerWaalsContact C-N 3.34Å; V316-S318 PolarHBondContact O-N 3.43Å; V316-W319 PolarHBondContact O-N 3.36Å; V316-L320 HydrophobicContact CG1-CD1 4.18Å; V316-L320 WeakPolarHBondContact O-CG 3.24Å; V316-L320 PolarHBondContact O-N 2.93Å
317	L	78.3	Confident	70.3	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-40.8	179.3	-69.9	173.5	0	0	0	112.6	L282 L313 L314 W319 L320 R321 L326 L333 P336 W338	L282-L317 HydrophobicContact CD1-CD2 4Å; L313-L317 HydrophobicContact CD1-CD1 4.02Å; L313-L317 HydrophobicContact CD1-CG 3.98Å; L313-L317 HydrophobicContact CG-CD1 4.06Å; L313-L317 HydrophobicContact CG-CG 4.44Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.31Å; L313-L317 PolarHBondContact O-N 3.49Å; L314-L317 PolarHBondContact O-N 3.27Å; L317-W319 VanDerWaalsContact C-N 3.31Å; L317-W319 PolarHBondContact O-N 3.02Å; L317-L320 HydrophobicContact CD2-CD1 4.5Å; L317-L320 PolarHBondContact O-N 3.3Å; L317-R321 PolarHBondContact O-N 3.03Å; L317-L326 HydrophobicContact CD2-CD1 3.92Å; L317-L333 VanDerWaalsContact C-CD2 3.45Å; L317-L333 HydrophobicContact CB-CD2 3.63Å; L317-L333 WeakPolarHBondContact O-CD2 3.49Å; L317-P336 HydrophobicContact CD1-CG 4.33Å; L317-W338 HydrophobicContact CD1-CZ2 4.38Å
318	S	77.2	Confident	70.2	Confident	61 Å²	61	73 Å²	73	43%	0.427	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.8	-178.2	0	0	0	0	111.3	L314 S315 V316 R321 K322	L314-S318 WeakPolarHBondContact O-CB 3.14Å; L314-S318 PolarHBondContact O-N 2.85Å; S315-S318 PolarHBondContact O-N 3.43Å; V316-S318 VanDerWaalsContact C-N 3.34Å; V316-S318 PolarHBondContact O-N 3.43Å; S318-R321 PolarHBondContact O-N 2.72Å; S318-K322 PolarHBondContact O-N 3.25Å
319	W	74.3	Confident	70.2	Confident	41 Å²	41	71.6 Å²	71.6	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-46.3	175.1	177.3	76.9	0	0	0	112.2	L295 L302 V306 S315 V316 L317 R321 K322 E323	L295-W319 HydrophobicContact CD1-CH2 3.93Å; L295-W319 HydrophobicContact CD2-CH2 3.64Å; L295-W319 HydrophobicContact CD2-CZ2 3.95Å; L295-W319 HydrophobicContact CG-CH2 4.42Å; L302-W319 HydrophobicContact CD1-CD2 3.4Å; L302-W319 VanDerWaalsContact CD1-CD2 3.4Å; L302-W319 HydrophobicContact CD1-CE3 3.98Å; L302-W319 HydrophobicContact CD1-CG 3.86Å; L302-W319 HydrophobicContact CD1-CH2 3.82Å; L302-W319 HydrophobicContact CD1-CZ2 3.23Å; L302-W319 HydrophobicContact CD1-CZ3 4.15Å; L302-W319 HydrophobicContact CD2-CE3 4.4Å; L302-W319 HydrophobicContact CD2-CH2 3.57Å; L302-W319 HydrophobicContact CD2-CZ2 3.81Å; L302-W319 HydrophobicContact CD2-CZ3 3.88Å; L302-W319 HydrophobicContact CG-CH2 4.35Å; L302-W319 HydrophobicContact CG-CZ2 4.14Å; V306-W319 HydrophobicContact CG1-CB 4.03Å; V306-W319 HydrophobicContact CG2-CB 3.73Å; V306-W319 HydrophobicContact CG2-CD2 4.28Å; V306-W319 HydrophobicContact CG2-CG 3.56Å; S315-W319 WeakPolarHBondContact O-CB 3.49Å; S315-W319 PolarHBondContact O-N 3.38Å; V316-W319 PolarHBondContact O-N 3.36Å; L317-W319 VanDerWaalsContact C-N 3.31Å; L317-W319 PolarHBondContact O-N 3.02Å; W319-R321 PolarHBondContact O-N 3.12Å; W319-K322 WeakPolarHBondContact O-CB 3.49Å; W319-K322 PolarHBondContact O-N 3.48Å; W319-E323 HydrophobicContact CD2-CG 4.04Å; W319-E323 HydrophobicContact CH2-CG 4.17Å; W319-E323 HydrophobicContact CZ2-CG 3.43Å; W319-E323 VanDerWaalsContact CZ2-CG 3.43Å; W319-E323 PolarHBondContact NE1-OE1 2.85Å; W319-E323 PolarHBondContact O-N 3.24Å
320	L	73.6	Confident	70.4	Confident	3 Å²	3	63 Å²	63	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-37.1	177.2	-66.5	173.9	0	0	0	112.7	L286 F290 V316 L317 Q324 R325 L326	L286-L320 HydrophobicContact CD1-CD1 3.8Å; F290-L320 HydrophobicContact CD1-CD2 4.23Å; F290-L320 HydrophobicContact CE1-CD1 4.24Å; F290-L320 HydrophobicContact CE1-CD2 3.32Å; F290-L320 HydrophobicContact CE1-CG 4.42Å; F290-L320 HydrophobicContact CZ-CD1 4.03Å; F290-L320 HydrophobicContact CZ-CD2 3.98Å; V316-L320 HydrophobicContact CG1-CD1 4.18Å; V316-L320 WeakPolarHBondContact O-CG 3.24Å; V316-L320 PolarHBondContact O-N 2.93Å; L317-L320 HydrophobicContact CD2-CD1 4.5Å; L317-L320 PolarHBondContact O-N 3.3Å; L320-Q324 PolarHBondContact O-N 3.47Å; L320-R325 HydrophobicContact CD2-CB 4.46Å; L320-R325 PolarHBondContact O-N 3.29Å; L320-L326 HydrophobicContact CB-CB 4.22Å; L320-L326 HydrophobicContact CB-CD1 4.02Å; L320-L326 HydrophobicContact CD1-CD1 4.3Å; L320-L326 PolarHBondContact O-N 2.75Å; L320-L326 VanDerWaalsContact O-N 3.13Å
321	R	73.9	Confident	70.2	Confident	93 Å²	93	62.8 Å²	62.8	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-43.2	174.2	-175.7	179.6	-79.2	-165.7	-12.2	111.6	L317 S318 W319 E323 Q324 L326 V330 P331 L333	L317-R321 PolarHBondContact O-N 3.03Å; S318-R321 PolarHBondContact O-N 2.72Å; W319-R321 PolarHBondContact O-N 3.12Å; R321-E323 VanDerWaalsContact C-N 3.3Å; R321-E323 PolarHBondContact O-N 3.15Å; R321-Q324 PolarHBondContact O-N 2.87Å; R321-L326 HydrophobicContact CB-CB 4.24Å; R321-L326 HydrophobicContact CB-CD2 4.23Å; R321-V330 PolarHBondContact NH2-O 3.04Å; R321-P331 VanDerWaalsContact NH2-C 3.35Å; R321-P331 PolarHBondContact NH2-O 2.87Å; R321-L333 HydrophobicContact CB-CD2 4.34Å
322	K	73.2	Confident	69.7	Low	170 Å²	170	61.9 Å²	61.9	74%	0.739	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-38.5	178.9	-174.1	-179.9	176.1	-175.6	0	112.1	S318 W319 Q324	S318-K322 PolarHBondContact O-N 3.25Å; W319-K322 WeakPolarHBondContact O-CB 3.49Å; W319-K322 PolarHBondContact O-N 3.48Å; K322-Q324 PolarHBondContact O-N 2.83Å
323	E	69.7	Low	69	Low	85 Å²	85	63.3 Å²	63.3	40%	0.397	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	4.9	174.8	-61.8	-61	143.7	0	0	113.5	W319 R321 R325	W319-E323 HydrophobicContact CD2-CG 4.04Å; W319-E323 HydrophobicContact CH2-CG 4.17Å; W319-E323 HydrophobicContact CZ2-CG 3.43Å; W319-E323 VanDerWaalsContact CZ2-CG 3.43Å; W319-E323 PolarHBondContact NE1-OE1 2.85Å; W319-E323 PolarHBondContact O-N 3.24Å; R321-E323 VanDerWaalsContact C-N 3.3Å; R321-E323 PolarHBondContact O-N 3.15Å; E323-R325 HydrophobicContact CB-CG 3.97Å; E323-R325 PolarHBondContact O-N 2.66Å; E323-R325 VanDerWaalsContact O-N 3.15Å
324	Q	66.3	Low	68.1	Low	171 Å²	171	68.5 Å²	68.5	80%	0.799	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.9	-176.8	-54.2	-178.9	-4.1	0	0	113.8	L320 R321 K322	L320-Q324 PolarHBondContact O-N 3.47Å; R321-Q324 PolarHBondContact O-N 2.87Å; K322-Q324 PolarHBondContact O-N 2.83Å
325	R	62.6	Low	67.2	Low	67 Å²	67	72.7 Å²	72.7	25%	0.253	37%	0.365	S	S	.	.			trans	-93.6	-20.6	179.1	-66.6	175	178.6	-116.8	-4.2	112.6	D291 E294 L320 E323	D291-R325 PolarHBondContact O-NH1 2.9Å; E294-R325 IonicContact OE2-NH2 3.92Å; L320-R325 HydrophobicContact CD2-CB 4.46Å; L320-R325 PolarHBondContact O-N 3.29Å; E323-R325 HydrophobicContact CB-CG 3.97Å; E323-R325 PolarHBondContact O-N 2.66Å; E323-R325 VanDerWaalsContact O-N 3.15Å
326	L	63.4	Low	66.6	Low	18 Å²	18	71.7 Å²	71.7	9%	0.094	36%	0.358	C	S	.	.	S	Bend	trans	-80.7	126.2	169.1	-152.3	89.5	0	0	0	109.1	L286 L317 L320 R321 V330 L333	L286-L326 HydrophobicContact CD2-CD1 3.54Å; L317-L326 HydrophobicContact CD2-CD1 3.92Å; L320-L326 HydrophobicContact CB-CB 4.22Å; L320-L326 HydrophobicContact CB-CD1 4.02Å; L320-L326 HydrophobicContact CD1-CD1 4.3Å; L320-L326 PolarHBondContact O-N 2.75Å; L320-L326 VanDerWaalsContact O-N 3.13Å; R321-L326 HydrophobicContact CB-CB 4.24Å; R321-L326 HydrophobicContact CB-CD2 4.23Å; L326-V330 HydrophobicContact CD2-CB 3.61Å; L326-V330 HydrophobicContact CD2-CG1 3.78Å; L326-V330 HydrophobicContact CD2-CG2 4.15Å; L326-V330 HydrophobicContact CG-CB 4.11Å; L326-V330 HydrophobicContact CG-CG2 4.13Å; L326-L333 HydrophobicContact CD2-CD2 4.22Å
327	S	61	Low	66.3	Low	32 Å²	32	76 Å²	76	22%	0.224	39%	0.385	C	S	.	.			trans	-62	153.8	176.5	56.6	0	0	0	0	111.4	E329 V330	S327-E329 PolarHBondContact O-N 3.17Å; S327-E329 VanDerWaalsContact O-N 3.07Å; S327-V330 PolarHBondContact O-N 3.25Å
328	Q	59.3	Low	66.4	Low	196 Å²	196	77.1 Å²	77.1	92%	0.916	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.8	173	-67.6	-176.1	-2.4	0	0	112.4	V330	Q328-V330 PolarHBondContact O-N 3.33Å
329	E	55.2	Low	66.7	Low	119 Å²	119	76.6 Å²	76.6	56%	0.556	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.6	177.3	-62.8	178.9	-166.9	0	0	114.2	V287 S327 P331	V287-E329 VanDerWaalsContact CG2-OE2 3.26Å; V287-E329 WeakPolarHBondContact CG2-OE2 3.49Å; S327-E329 PolarHBondContact O-N 3.17Å; S327-E329 VanDerWaalsContact O-N 3.07Å; E329-P331 WeakPolarHBondContact O-CD 3.06Å
330	V	63	Low	67.1	Low	16 Å²	16	78.7 Å²	78.7	10%	0.097	41%	0.406	C	S	.	.			trans	-93.6	89.7	168.5	-176.7	0	0	0	0	108.1	R321 L326 S327 Q328 S332 P336	R321-V330 PolarHBondContact NH2-O 3.04Å; L326-V330 HydrophobicContact CD2-CB 3.61Å; L326-V330 HydrophobicContact CD2-CG1 3.78Å; L326-V330 HydrophobicContact CD2-CG2 4.15Å; L326-V330 HydrophobicContact CG-CB 4.11Å; L326-V330 HydrophobicContact CG-CG2 4.13Å; S327-V330 PolarHBondContact O-N 3.25Å; Q328-V330 PolarHBondContact O-N 3.33Å; V330-S332 PolarHBondContact O-N 3.14Å; V330-P336 HydrophobicContact CG1-CB 3.84Å
331	P	58	Low	67.5	Low	100 Å²	100	82.5 Å²	82.5	65%	0.649	42%	0.423	S	S	*	.			trans	-72.3	-36.8	-163	-12.2	30.4	0	0	0	110.3	R321 E329	R321-P331 VanDerWaalsContact NH2-C 3.35Å; R321-P331 PolarHBondContact NH2-O 2.87Å; E329-P331 WeakPolarHBondContact O-CD 3.06Å
332	S	62.9	Low	68.2	Low	43 Å²	43	78.6 Å²	78.6	30%	0.301	41%	0.409	S	S	.	.			trans	-125.9	132	178.7	88.1	0	0	0	0	111.7	V330 N334 I335	V330-S332 PolarHBondContact O-N 3.14Å; S332-N334 PolarHBondContact O-N 2.74Å; S332-I335 CarbonylContact O-C 3.55Å; S332-I335 PolarHBondContact O-N 3.1Å; S332-I335 VanDerWaalsContact OG-C 3.31Å; S332-I335 WeakPolarHBondContact OG-CA 3.33Å; S332-I335 WeakPolarHBondContact OG-CB 3.49Å; S332-I335 PolarHBondContact OG-N 2.55Å; S332-I335 PolarHBondContact OG-O 3.31Å
333	L	63	Low	68.6	Low	31 Å²	31	74.1 Å²	74.1	16%	0.162	39%	0.388	C	S	.	.	S	Bend	trans	-63.5	-30	172.9	-72.6	165.8	0	0	0	111.7	L314 L317 R321 L326	L314-L333 WeakPolarHBondContact CD2-O 3.41Å; L317-L333 VanDerWaalsContact C-CD2 3.45Å; L317-L333 HydrophobicContact CB-CD2 3.63Å; L317-L333 WeakPolarHBondContact O-CD2 3.49Å; R321-L333 HydrophobicContact CB-CD2 4.34Å; L326-L333 HydrophobicContact CD2-CD2 4.22Å
334	N	62.8	Low	69.3	Low	111 Å²	111	73.8 Å²	73.8	59%	0.594	39%	0.387	S	S	*	.	S	Bend	trans	-80.7	-24.1	-176.2	-69.3	-17.9	0	0	0	113	S332 R343	S332-N334 PolarHBondContact O-N 2.74Å; N334-R343 PolarHBondContact O-NH1 3.42Å; N334-R343 PolarHBondContact O-NH2 3.45Å
335	I	61.5	Low	70.2	Confident	129 Å²	129	66.1 Å²	66.1	66%	0.662	35%	0.351	S	S	*	.	S	Bend	trans	-141.8	81	179.7	-46.8	170.9	0	0	0	107.3	S332	S332-I335 CarbonylContact O-C 3.55Å; S332-I335 PolarHBondContact O-N 3.1Å; S332-I335 VanDerWaalsContact OG-C 3.31Å; S332-I335 WeakPolarHBondContact OG-CA 3.33Å; S332-I335 WeakPolarHBondContact OG-CB 3.49Å; S332-I335 PolarHBondContact OG-N 2.55Å; S332-I335 PolarHBondContact OG-O 3.31Å
336	P	63.7	Low	71.4	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.058	34%	0.339	C	S	.	.			trans	-70.8	156.6	176.1	-6.8	24.4	0	0	0	109.3	L317 V330 W338	L317-P336 HydrophobicContact CD1-CG 4.33Å; V330-P336 HydrophobicContact CG1-CB 3.84Å; P336-W338 VanDerWaalsContact CB-CD1 3.49Å; P336-W338 HydrophobicContact CB-CD2 4.19Å; P336-W338 HydrophobicContact CB-CG 4.14Å; P336-W338 HydrophobicContact CB-CZ2 4.36Å; P336-W338 HydrophobicContact CG-CZ2 4Å; P336-W338 PolarHBondContact O-N 2.9Å
337	P	69.5	Low	72.4	Confident	97 Å²	97	63.8 Å²	63.8	63%	0.63	35%	0.347	S	S	*	.	S	Bend	trans	-69.7	-4.9	-170	28.7	-36.1	0	0	0	114.8
338	W	80.5	Confident	73.4	Confident	28 Å²	28	64.8 Å²	64.8	11%	0.106	35%	0.347	C	S	.	.	S	Bend	trans	-77	159.4	179.5	55.8	10.4	0	0	0	113.8	L282 L285 L313 L317 P336 R343 I346	L282-W338 HydrophobicContact CD1-CH2 3.73Å; L282-W338 HydrophobicContact CD1-CZ3 3.85Å; L285-W338 HydrophobicContact CB-CE3 3.35Å; L285-W338 HydrophobicContact CB-CZ3 3.64Å; L285-W338 HydrophobicContact CD1-CD2 3.96Å; L285-W338 HydrophobicContact CD1-CE3 3Å; L285-W338 HydrophobicContact CD1-CH2 4.5Å; L285-W338 HydrophobicContact CD1-CZ3 3.32Å; L285-W338 HydrophobicContact CG-CE3 3.7Å; L285-W338 HydrophobicContact CG-CZ3 4.04Å; L313-W338 HydrophobicContact CD1-CH2 4.32Å; L313-W338 HydrophobicContact CD2-CH2 4.33Å; L313-W338 HydrophobicContact CD2-CZ2 4.16Å; L317-W338 HydrophobicContact CD1-CZ2 4.38Å; P336-W338 VanDerWaalsContact CB-CD1 3.49Å; P336-W338 HydrophobicContact CB-CD2 4.19Å; P336-W338 HydrophobicContact CB-CG 4.14Å; P336-W338 HydrophobicContact CB-CZ2 4.36Å; P336-W338 HydrophobicContact CG-CZ2 4Å; P336-W338 PolarHBondContact O-N 2.9Å; W338-R343 HydrophobicContact CZ2-CB 4.11Å; W338-R343 HydrophobicContact CZ2-CG 4.05Å; W338-I346 HydrophobicContact CE3-CD1 4.44Å; W338-I346 HydrophobicContact CH2-CD1 3.76Å; W338-I346 HydrophobicContact CZ3-CD1 3.58Å
339	P	83.1	Confident	74.6	Confident	50 Å²	50	55.5 Å²	55.5	33%	0.325	30%	0.304	S	S	.	.			trans	-54.7	143.9	173	-27.7	35.6	0	0	0	113.8	E341 F342 R343	P339-E341 WeakPolarHBondContact CB-OE2 3.41Å; P339-E341 PolarHBondContact O-N 2.74Å; P339-F342 HydrophobicContact CB-CD1 4.1Å; P339-F342 HydrophobicContact CB-CD2 4.17Å; P339-F342 HydrophobicContact CB-CE1 4.2Å; P339-F342 HydrophobicContact CB-CE2 4.31Å; P339-F342 HydrophobicContact CB-CG 4.06Å; P339-F342 HydrophobicContact CB-CZ 4.32Å; P339-F342 HydrophobicContact CG-CD2 3.89Å; P339-F342 HydrophobicContact CG-CE1 4.31Å; P339-F342 HydrophobicContact CG-CE2 3.7Å; P339-F342 HydrophobicContact CG-CG 4.29Å; P339-F342 HydrophobicContact CG-CZ 3.92Å; P339-F342 PolarHBondContact O-N 3.38Å; P339-F342 VanDerWaalsContact O-N 3.12Å; P339-R343 PolarHBondContact O-N 2.91Å
340	S	82.7	Confident	75.9	Confident	85 Å²	85	49.9 Å²	49.9	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-31.5	-176.2	71.8	0	0	0	0	113	F342 R343 M344	S340-F342 VanDerWaalsContact C-N 3.34Å; S340-R343 PolarHBondContact O-N 3.45Å; S340-M344 WeakPolarHBondContact O-CB 3.32Å; S340-M344 PolarHBondContact O-N 3.11Å
341	E	83.1	Confident	76.4	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-38.7	178.7	-60.8	80.4	179	0	0	110.7	P339 M344 L345 L366	P339-E341 WeakPolarHBondContact CB-OE2 3.41Å; P339-E341 PolarHBondContact O-N 2.74Å; E341-M344 PolarHBondContact O-N 2.9Å; E341-L345 PolarHBondContact O-N 2.78Å; E341-L366 HydrophobicContact CB-CD2 4.29Å
342	F	87	Confident	76.8	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-44.3	-179.4	-62.2	2.8	0	0	0	110	L110 F113 N114 L285 P339 S340 M344 L345 I346	L110-F342 HydrophobicContact CD2-CD2 4.07Å; L110-F342 HydrophobicContact CD2-CE2 3.78Å; F113-F342 HydrophobicContact CB-CD2 4.22Å; F113-F342 HydrophobicContact CB-CE2 3.71Å; F113-F342 HydrophobicContact CB-CZ 3.97Å; F113-F342 HydrophobicContact CD1-CB 4.19Å; F113-F342 AromaticContact CD1-CD1 3.44Å; F113-F342 HydrophobicContact CD1-CD1 3.44Å; F113-F342 VanDerWaalsContact CD1-CD1 3.44Å; F113-F342 AromaticContact CD1-CD2 3.59Å; F113-F342 HydrophobicContact CD1-CD2 3.59Å; F113-F342 AromaticContact CD1-CE1 3.61Å; F113-F342 HydrophobicContact CD1-CE1 3.61Å; F113-F342 AromaticContact CD1-CE2 3.72Å; F113-F342 HydrophobicContact CD1-CE2 3.72Å; F113-F342 AromaticContact CD1-CG 3.46Å; F113-F342 HydrophobicContact CD1-CG 3.46Å; F113-F342 VanDerWaalsContact CD1-CG 3.46Å; F113-F342 AromaticContact CD1-CZ 3.74Å; F113-F342 HydrophobicContact CD1-CZ 3.74Å; F113-F342 HydrophobicContact CD2-CD2 4.27Å; F113-F342 HydrophobicContact CE1-CB 3.68Å; F113-F342 AromaticContact CE1-CD1 3.55Å; F113-F342 HydrophobicContact CE1-CD1 3.55Å; F113-F342 AromaticContact CE1-CD2 3.98Å; F113-F342 HydrophobicContact CE1-CD2 3.98Å; F113-F342 HydrophobicContact CE1-CE1 4.19Å; F113-F342 AromaticContact CE1-CG 3.45Å; F113-F342 HydrophobicContact CE1-CG 3.45Å; F113-F342 VanDerWaalsContact CE1-CG 3.45Å; F113-F342 HydrophobicContact CG-CD1 4.4Å; F113-F342 AromaticContact CG-CD2 3.75Å; F113-F342 HydrophobicContact CG-CD2 3.75Å; F113-F342 HydrophobicContact CG-CE1 4.43Å; F113-F342 AromaticContact CG-CE2 3.75Å; F113-F342 HydrophobicContact CG-CE2 3.75Å; F113-F342 HydrophobicContact CG-CG 4.1Å; F113-F342 HydrophobicContact CG-CZ 4.11Å; F113-F342 HydrophobicContact CZ-CB 3.89Å; F113-F342 HydrophobicContact CZ-CD2 4.46Å; F113-F342 HydrophobicContact CZ-CG 4.08Å; N114-F342 WeakPolarHBondContact OD1-CE1 3.4Å; L285-F342 HydrophobicContact CD1-CB 3.93Å; L285-F342 HydrophobicContact CD1-CD2 4.1Å; L285-F342 HydrophobicContact CD1-CG 4.49Å; L285-F342 HydrophobicContact CD2-CD2 3.97Å; L285-F342 HydrophobicContact CD2-CE2 4.47Å; P339-F342 HydrophobicContact CB-CD1 4.1Å; P339-F342 HydrophobicContact CB-CD2 4.17Å; P339-F342 HydrophobicContact CB-CE1 4.2Å; P339-F342 HydrophobicContact CB-CE2 4.31Å; P339-F342 HydrophobicContact CB-CG 4.06Å; P339-F342 HydrophobicContact CB-CZ 4.32Å; P339-F342 HydrophobicContact CG-CD2 3.89Å; P339-F342 HydrophobicContact CG-CE1 4.31Å; P339-F342 HydrophobicContact CG-CE2 3.7Å; P339-F342 HydrophobicContact CG-CG 4.29Å; P339-F342 HydrophobicContact CG-CZ 3.92Å; P339-F342 PolarHBondContact O-N 3.38Å; P339-F342 VanDerWaalsContact O-N 3.12Å; S340-F342 VanDerWaalsContact C-N 3.34Å; F342-M344 VanDerWaalsContact C-N 3.31Å; F342-M344 PolarHBondContact O-N 3.42Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-I346 WeakPolarHBondContact O-CG1 3.41Å; F342-I346 PolarHBondContact O-N 3.28Å
343	R	83.4	Confident	76.6	Confident	76 Å²	76	55.1 Å²	55.1	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-57.8	-44.9	173	-175.3	-172.4	175.5	175.8	3.5	111.6	L313 N334 W338 P339 S340 I346 S347	L313-R343 HydrophobicContact CD2-CG 3.98Å; N334-R343 PolarHBondContact O-NH1 3.42Å; N334-R343 PolarHBondContact O-NH2 3.45Å; W338-R343 HydrophobicContact CZ2-CB 4.11Å; W338-R343 HydrophobicContact CZ2-CG 4.05Å; P339-R343 PolarHBondContact O-N 2.91Å; S340-R343 PolarHBondContact O-N 3.45Å; R343-I346 PolarHBondContact O-N 2.9Å; R343-S347 WeakPolarHBondContact O-CB 3.37Å; R343-S347 PolarHBondContact O-N 3.22Å
344	M	84.5	Confident	76	Confident	77 Å²	77	59.3 Å²	59.3	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-44.3	179.3	-179.3	176.7	58.6	0	0	111	S340 E341 F342 S347 K348 L365	S340-M344 WeakPolarHBondContact O-CB 3.32Å; S340-M344 PolarHBondContact O-N 3.11Å; E341-M344 PolarHBondContact O-N 2.9Å; F342-M344 VanDerWaalsContact C-N 3.31Å; F342-M344 PolarHBondContact O-N 3.42Å; M344-S347 PolarHBondContact O-N 3.17Å; M344-K348 WeakPolarHBondContact O-CG 3.41Å; M344-K348 PolarHBondContact O-N 2.9Å; M344-L365 HydrophobicContact CE-CB 4.27Å; M344-L365 HydrophobicContact CE-CD1 3.73Å; M344-L365 HydrophobicContact CE-CG 4.43Å
345	L	85	Confident	75.1	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-49.8	177.4	-179.9	63.4	0	0	0	112.1	F113 A117 L121 L281 E341 F342 S347 K348 C349 L358 L366	F113-L345 HydrophobicContact CE1-CD2 4Å; F113-L345 HydrophobicContact CZ-CD2 4.29Å; A117-L345 HydrophobicContact CB-CD2 3.93Å; L121-L345 HydrophobicContact CD1-CD1 4.4Å; L281-L345 HydrophobicContact CD1-CD2 3.66Å; L281-L345 HydrophobicContact CD1-CG 4.09Å; E341-L345 PolarHBondContact O-N 2.78Å; F342-L345 PolarHBondContact O-N 3.46Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.36Å; L345-K348 WeakPolarHBondContact O-CB 3.29Å; L345-K348 PolarHBondContact O-N 3.3Å; L345-K348 VanDerWaalsContact O-N 3.13Å; L345-C349 PolarHBondContact O-N 3.34Å; L345-C349 PolarHBondContact O-SG 3.45Å; L345-L358 HydrophobicContact CD1-CD2 3.8Å; L345-L366 HydrophobicContact CD2-CD1 3.94Å
346	I	86.2	Confident	74.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-40.8	178.6	-65.5	167	0	0	0	110.4	F113 L281 L282 L285 L313 W338 F342 R343 K348 C349 L350	F113-I346 HydrophobicContact CE2-CD1 4.32Å; F113-I346 HydrophobicContact CZ-CD1 4.21Å; F113-I346 HydrophobicContact CZ-CG1 4.33Å; L281-I346 HydrophobicContact CB-CD1 4.16Å; L281-I346 HydrophobicContact CB-CG1 3.81Å; L282-I346 HydrophobicContact CB-CD1 4.49Å; L282-I346 HydrophobicContact CB-CG2 4.3Å; L285-I346 HydrophobicContact CD1-CD1 3.6Å; L313-I346 HydrophobicContact CD1-CG2 3.79Å; L313-I346 HydrophobicContact CD2-CB 4.31Å; L313-I346 HydrophobicContact CD2-CG2 4.02Å; L313-I346 HydrophobicContact CG-CG2 4.45Å; W338-I346 HydrophobicContact CE3-CD1 4.44Å; W338-I346 HydrophobicContact CH2-CD1 3.76Å; W338-I346 HydrophobicContact CZ3-CD1 3.58Å; F342-I346 WeakPolarHBondContact O-CG1 3.41Å; F342-I346 PolarHBondContact O-N 3.28Å; R343-I346 PolarHBondContact O-N 2.9Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 3.35Å; I346-C349 WeakPolarHBondContact O-CB 3.45Å; I346-C349 PolarHBondContact O-N 2.86Å; I346-C349 VanDerWaalsContact O-N 3.14Å; I346-L350 HydrophobicContact CG2-CD1 3.79Å; I346-L350 HydrophobicContact CG2-CG 4.2Å; I346-L350 WeakPolarHBondContact O-CG 3.46Å; I346-L350 PolarHBondContact O-N 3.07Å
347	S	85.3	Confident	73.5	Confident	37 Å²	37	62 Å²	62	26%	0.259	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-26.2	177	-169.2	0	0	0	0	113.3	R343 M344 L345 Q351	R343-S347 WeakPolarHBondContact O-CB 3.37Å; R343-S347 PolarHBondContact O-N 3.22Å; M344-S347 PolarHBondContact O-N 3.17Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 3.36Å; S347-Q351 VanDerWaalsContact O-CG 3.3Å; S347-Q351 WeakPolarHBondContact O-CG 3.38Å
348	K	83	Confident	72.5	Confident	53 Å²	53	58.7 Å²	58.7	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-75.7	-36.3	171.5	-75.5	179.1	174.4	-170.4	0	111.8	M344 L345 I346 L358 D362	M344-K348 WeakPolarHBondContact O-CG 3.41Å; M344-K348 PolarHBondContact O-N 2.9Å; L345-K348 WeakPolarHBondContact O-CB 3.29Å; L345-K348 PolarHBondContact O-N 3.3Å; L345-K348 VanDerWaalsContact O-N 3.13Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 3.35Å; K348-L358 HydrophobicContact CB-CD1 3.9Å; K348-L358 HydrophobicContact CB-CG 4.36Å; K348-D362 WeakPolarHBondContact CD-OD2 3.48Å; K348-D362 IonicContact NZ-OD1 2.74Å; K348-D362 PolarHBondContact NZ-OD1 3.49Å; K348-D362 IonicContact NZ-OD2 2.81Å; K348-D362 PolarHBondContact NZ-OD2 2.88Å
349	C	84.5	Confident	71	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-51.6	175.4	-63.4	0	0	0	0	111.1	K271 I274 L345 I346 Q351	K271-C349 PolarHBondContact NZ-O 3.17Å; I274-C349 HydrophobicContact CG2-CB 4.17Å; I274-C349 WeakPolarHBondContact O-CB 3.25Å; L345-C349 PolarHBondContact O-N 3.34Å; L345-C349 PolarHBondContact O-SG 3.45Å; I346-C349 WeakPolarHBondContact O-CB 3.45Å; I346-C349 PolarHBondContact O-N 2.86Å; I346-C349 VanDerWaalsContact O-N 3.14Å; C349-Q351 PolarHBondContact O-N 2.96Å
350	L	81.8	Confident	69.1	Low	1 Å²	1	62.9 Å²	62.9	1%	0.005	34%	0.336	C	S	.	.	S	Bend	trans	-87.5	85	-176.3	-56.2	-176.9	0	0	0	111.1	W275 I279 V312 L313 I346	W275-L350 HydrophobicContact CD2-CD2 3.85Å; W275-L350 HydrophobicContact CE3-CD2 4.02Å; W275-L350 HydrophobicContact CG-CD2 4.34Å; W275-L350 HydrophobicContact CH2-CD2 4.37Å; W275-L350 HydrophobicContact CZ2-CD2 4.22Å; W275-L350 HydrophobicContact CZ3-CB 4.47Å; W275-L350 HydrophobicContact CZ3-CD2 4.28Å; I279-L350 HydrophobicContact CD1-CD1 4.2Å; I279-L350 HydrophobicContact CD1-CD2 3.68Å; I279-L350 HydrophobicContact CG1-CD2 4.11Å; V312-L350 HydrophobicContact CB-CB 4.43Å; V312-L350 WeakPolarHBondContact CB-O 3.43Å; V312-L350 HydrophobicContact CG1-CB 4.22Å; L313-L350 HydrophobicContact CD1-CD1 4.23Å; I346-L350 HydrophobicContact CG2-CD1 3.79Å; I346-L350 HydrophobicContact CG2-CG 4.2Å; I346-L350 WeakPolarHBondContact O-CG 3.46Å; I346-L350 PolarHBondContact O-N 3.07Å
351	Q	74	Confident	67.4	Low	50 Å²	50	60.8 Å²	60.8	23%	0.234	33%	0.327	C	S	.	.			trans	-134.8	142.1	175.7	-62.4	178.4	-21.7	0	0	109.5	K271 S347 C349 S355	K271-Q351 WeakPolarHBondContact CE-O 3.25Å; S347-Q351 VanDerWaalsContact O-CG 3.3Å; S347-Q351 WeakPolarHBondContact O-CG 3.38Å; C349-Q351 PolarHBondContact O-N 2.96Å; Q351-S355 VanDerWaalsContact OE1-CB 3.28Å; Q351-S355 PolarHBondContact OE1-OG 3.43Å
352	L	66.3	Low	65.8	Low	78 Å²	78	59.2 Å²	59.2	41%	0.408	32%	0.322	S	S	.	.	S	Bend	trans	-73.9	-36.8	176.6	-82.8	178.6	0	0	0	112.5	I307 V312	I307-L352 HydrophobicContact CB-CD2 4.19Å; I307-L352 HydrophobicContact CG2-CD1 3.63Å; I307-L352 HydrophobicContact CG2-CD2 3.36Å; I307-L352 HydrophobicContact CG2-CG 3.4Å; V312-L352 HydrophobicContact CG2-CG 3.99Å
353	K	58.6	Low	63.8	Low	141 Å²	141	59 Å²	59	61%	0.613	32%	0.321	S	S	*	.	S	Bend	trans	-77.2	141.5	-179.3	-68.2	-178.7	-178.6	174.2	0	109.9	S355	K353-S355 PolarHBondContact O-N 3.34Å
354	P	50.5	Low	61.9	Low	119 Å²	119	61.8 Å²	61.8	77%	0.773	34%	0.337	S	S	*	.			trans	-68	86.9	171.3	26.8	-31.2	0	0	0	108.8
355	S	43.9	Very low	60.1	Low	57 Å²	57	62.8 Å²	62.8	40%	0.399	34%	0.343	S	S	.	.			trans	-73.8	131	170.3	-57.9	0	0	0	0	108.1	Q351 K353 S357	Q351-S355 VanDerWaalsContact OE1-CB 3.28Å; Q351-S355 PolarHBondContact OE1-OG 3.43Å; K353-S355 PolarHBondContact O-N 3.34Å; S355-S357 PolarHBondContact O-N 3.42Å
356	Q	41.9	Very low	58.2	Low	189 Å²	189	63.5 Å²	63.5	88%	0.883	35%	0.347	S	S	*	.	S	Bend	trans	-50.9	130.2	168.1	-68.4	178	-13.9	0	0	107.9
357	S	48	Very low	56	Low	59 Å²	59	66.8 Å²	66.8	41%	0.413	38%	0.381	S	S	.	.			trans	1.2	130.7	176	-155.4	0	0	0	0	116.1	S355 V359	S355-S357 PolarHBondContact O-N 3.42Å; S357-V359 VanDerWaalsContact O-CG2 3.29Å; S357-V359 WeakPolarHBondContact O-CG2 3.5Å; S357-V359 PolarHBondContact O-N 3.36Å
358	L	50.3	Low	53.9	Low	28 Å²	28	67.3 Å²	67.3	15%	0.147	39%	0.393	C	S	.	.			trans	-56	93	159.6	-129.3	138.8	0	0	0	106.3	I274 L345 K348 I360 D362	I274-L358 HydrophobicContact CD1-CB 4.43Å; I274-L358 HydrophobicContact CG2-CD1 3.86Å; L345-L358 HydrophobicContact CD1-CD2 3.8Å; K348-L358 HydrophobicContact CB-CD1 3.9Å; K348-L358 HydrophobicContact CB-CG 4.36Å; L358-I360 PolarHBondContact O-N 3.39Å; L358-D362 HydrophobicContact CD2-CB 4.03Å
359	V	47.1	Very low	51.7	Low	96 Å²	96	66.4 Å²	66.4	58%	0.582	39%	0.39	S	S	*	.			trans	-65.9	134.5	-172.6	-175	0	0	0	0	105.1	S357 G361 D362	S357-V359 VanDerWaalsContact O-CG2 3.29Å; S357-V359 WeakPolarHBondContact O-CG2 3.5Å; S357-V359 PolarHBondContact O-N 3.36Å; V359-G361 CarbonylContact O-C 3.51Å; V359-G361 PolarHBondContact O-N 2.98Å; V359-D362 WeakPolarHBondContact O-CB 3.42Å; V359-D362 PolarHBondContact O-N 3.06Å
360	I	44.7	Very low	49.4	Very low	71 Å²	71	75.5 Å²	75.5	36%	0.364	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-47.9	-22.1	174.9	-71.8	163.4	0	0	0	112.6	D125 L358 D362 L363	D125-I360 HydrophobicContact CB-CD1 4.03Å; D125-I360 WeakPolarHBondContact OD1-CD1 3.47Å; D125-I360 WeakPolarHBondContact OD2-CD1 3.29Å; L358-I360 PolarHBondContact O-N 3.39Å; I360-D362 PolarHBondContact O-N 3.19Å; I360-D362 VanDerWaalsContact O-N 3.17Å; I360-L363 HydrophobicContact CB-CD1 4.32Å; I360-L363 HydrophobicContact CG1-CD1 4.21Å; I360-L363 HydrophobicContact CG2-CD1 4.06Å; I360-L363 WeakPolarHBondContact O-CB 3.11Å; I360-L363 PolarHBondContact O-N 2.85Å
361	G	46.1	Very low	47.3	Very low	40 Å²	40	82.6 Å²	82.6	41%	0.412	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-45.6	-38.6	166	0	0	0	0	0	114.2	V359 L363 H364	V359-G361 CarbonylContact O-C 3.51Å; V359-G361 PolarHBondContact O-N 2.98Å; G361-L363 VanDerWaalsContact C-N 3.29Å; G361-L363 PolarHBondContact O-N 2.89Å; G361-H364 VanDerWaalsContact O-CB 3.29Å; G361-H364 WeakPolarHBondContact O-CB 3.37Å; G361-H364 PolarHBondContact O-N 3.49Å; G361-H364 VanDerWaalsContact O-N 3.1Å; G361-H364 PolarHBondContact O-ND1 2.95Å
362	D	48.8	Very low	45.2	Very low	49 Å²	49	86.4 Å²	86.4	26%	0.262	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-67.7	-23.6	178.1	-75.7	-25.7	0	0	0	113.7	K348 L358 V359 I360 H364 L365	K348-D362 WeakPolarHBondContact CD-OD2 3.48Å; K348-D362 IonicContact NZ-OD1 2.74Å; K348-D362 PolarHBondContact NZ-OD1 3.49Å; K348-D362 IonicContact NZ-OD2 2.81Å; K348-D362 PolarHBondContact NZ-OD2 2.88Å; L358-D362 HydrophobicContact CD2-CB 4.03Å; V359-D362 WeakPolarHBondContact O-CB 3.42Å; V359-D362 PolarHBondContact O-N 3.06Å; I360-D362 PolarHBondContact O-N 3.19Å; I360-D362 VanDerWaalsContact O-N 3.17Å; D362-H364 PolarHBondContact O-N 3.08Å; D362-L365 WeakPolarHBondContact O-CB 3.35Å; D362-L365 PolarHBondContact O-N 3.28Å; D362-L365 VanDerWaalsContact O-N 3.16Å
363	L	46.1	Very low	43.3	Very low	7 Å²	7	93.1 Å²	93.1	4%	0.037	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-66.8	-21.2	172.7	-77.1	147.6	0	0	0	112	F118 L121 I360 G361 L365 L366 L369	F118-L363 HydrophobicContact CB-CD2 4.28Å; F118-L363 HydrophobicContact CD2-CD2 3.56Å; F118-L363 HydrophobicContact CE2-CD2 4.31Å; F118-L363 HydrophobicContact CG-CD2 4.33Å; L121-L363 HydrophobicContact CB-CD1 4.35Å; L121-L363 HydrophobicContact CD1-CD1 4.38Å; L121-L363 HydrophobicContact CD1-CD2 3.89Å; L121-L363 HydrophobicContact CD1-CG 4.23Å; I360-L363 HydrophobicContact CB-CD1 4.32Å; I360-L363 HydrophobicContact CG1-CD1 4.21Å; I360-L363 HydrophobicContact CG2-CD1 4.06Å; I360-L363 WeakPolarHBondContact O-CB 3.11Å; I360-L363 PolarHBondContact O-N 2.85Å; G361-L363 VanDerWaalsContact C-N 3.29Å; G361-L363 PolarHBondContact O-N 2.89Å; L363-L365 PolarHBondContact O-N 2.81Å; L363-L366 HydrophobicContact CD2-CD1 4.01Å; L363-L366 PolarHBondContact O-N 2.84Å; L363-L369 HydrophobicContact CB-CD1 3.64Å
364	H	44	Very low	41.7	Very low	136 Å²	136	97 Å²	97	63%	0.63	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.1	174.4	-70.2	74.7	0	0	0	111.8	G361 D362 L366	G361-H364 VanDerWaalsContact O-CB 3.29Å; G361-H364 WeakPolarHBondContact O-CB 3.37Å; G361-H364 PolarHBondContact O-N 3.49Å; G361-H364 VanDerWaalsContact O-N 3.1Å; G361-H364 PolarHBondContact O-ND1 2.95Å; D362-H364 PolarHBondContact O-N 3.08Å; H364-L366 VanDerWaalsContact C-N 3.32Å
365	L	46.5	Very low	40.4	Very low	97 Å²	97	98.6 Å²	98.6	51%	0.508	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-73.9	-20.7	175.8	-67.2	159.1	0	0	0	112.9	M344 D362 L363 G367	M344-L365 HydrophobicContact CE-CB 4.27Å; M344-L365 HydrophobicContact CE-CD1 3.73Å; M344-L365 HydrophobicContact CE-CG 4.43Å; D362-L365 WeakPolarHBondContact O-CB 3.35Å; D362-L365 PolarHBondContact O-N 3.28Å; D362-L365 VanDerWaalsContact O-N 3.16Å; L363-L365 PolarHBondContact O-N 2.81Å; L365-G367 PolarHBondContact O-N 3.23Å
366	L	44.2	Very low	39.6	Very low	25 Å²	25	99.2 Å²	99.2	13%	0.131	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-87.1	17.3	-178.9	-62.4	170.4	0	0	0	113.6	E341 L345 L363 H364 G368	E341-L366 HydrophobicContact CB-CD2 4.29Å; L345-L366 HydrophobicContact CD2-CD1 3.94Å; L363-L366 HydrophobicContact CD2-CD1 4.01Å; L363-L366 PolarHBondContact O-N 2.84Å; H364-L366 VanDerWaalsContact C-N 3.32Å; L366-G368 PolarHBondContact O-N 3.43Å
367	G	41.1	Very low	38.7	Very low	70 Å²	70	96.6 Å²	96.6	72%	0.722	52%	0.524	S	S	*	.	S	Bend	trans	68.4	-15.2	162.9	0	0	0	0	0	117.9	L365	L365-G367 PolarHBondContact O-N 3.23Å
368	G	40.5	Very low	37.6	Very low	48 Å²	48	101.8 Å²	101.8	50%	0.495	55%	0.546	S	S	.	.			trans	-87.8	-11.2	-174	0	0	0	0	0	116.1	L366 K370	L366-G368 PolarHBondContact O-N 3.43Å; G368-K370 PolarHBondContact O-N 3.07Å
369	L	36.9	Very low	36.4	Very low	34 Å²	34	105 Å²	105	18%	0.178	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-83.6	-8.1	-165.8	-89.4	174.7	0	0	0	116.2	F118 L363 N371 H372	F118-L369 HydrophobicContact CE2-CD2 3.68Å; F118-L369 HydrophobicContact CE2-CG 4.08Å; F118-L369 HydrophobicContact CZ-CD2 4.11Å; L363-L369 HydrophobicContact CB-CD1 3.64Å; L369-N371 PolarHBondContact O-N 3.34Å; L369-N371 VanDerWaalsContact O-N 3.17Å; L369-H372 HydrophobicContact CD2-CB 4.28Å; L369-H372 PolarHBondContact O-N 3.31Å
370	K	37.2	Very low	35.4	Very low	191 Å²	191	108 Å²	108	83%	0.83	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-61.6	-24.4	173.9	-77.8	-170.2	179.1	178.4	0	112.2	G368	G368-K370 PolarHBondContact O-N 3.07Å
371	N	36.7	Very low	34.5	Very low	149 Å²	149	112.1 Å²	112.1	80%	0.797	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-100.8	-6.8	-176.9	-67.6	-8.3	0	0	0	115.1	L369	L369-N371 PolarHBondContact O-N 3.34Å; L369-N371 VanDerWaalsContact O-N 3.17Å
372	H	29.7	Very low	33.6	Very low	130 Å²	130	115.4 Å²	115.4	60%	0.602	60%	0.603	S	S	*	*			trans	-116.8	37	-178.6	-72.5	-76.3	0	0	0	113	L369 R374	L369-H372 HydrophobicContact CD2-CB 4.28Å; L369-H372 PolarHBondContact O-N 3.31Å; H372-R374 PolarHBondContact O-N 3.23Å; H372-R374 VanDerWaalsContact O-N 3.12Å
373	R	25.8	Very low	32.5	Very low	220 Å²	220	116.3 Å²	116.3	83%	0.83	61%	0.607	S	S	*	*			trans	-59.2	115.7	171.4	-83.2	-177.3	172	-177.8	-1.7	110.4
374	R	24.8	Very low	32	Very low	221 Å²	221	118.8 Å²	118.8	83%	0.834	63%	0.626	S	S	*	*			trans	57.1	84.7	157.7	-64.3	-177.2	178.6	-178.1	-1.4	115.7	H372 A376	H372-R374 PolarHBondContact O-N 3.23Å; H372-R374 VanDerWaalsContact O-N 3.12Å; R374-A376 PolarHBondContact O-N 3.36Å; R374-A376 VanDerWaalsContact O-N 3.16Å
375	V	24.5	Very low	31.6	Very low	154 Å²	154	119.2 Å²	119.2	93%	0.933	63%	0.63	S	S	*	*			trans	-83.3	60	144.3	-167.4	0	0	0	0	108
376	A	25.8	Very low	31.2	Very low	70 Å²	70	122.9 Å²	122.9	58%	0.579	64%	0.641	S	S	*	*			trans	-116.1	89	159.3	0	0	0	0	0	104.1	R374	R374-A376 PolarHBondContact O-N 3.36Å; R374-A376 VanDerWaalsContact O-N 3.16Å
377	N	24.8	Very low	30.9	Very low	133 Å²	133	124.8 Å²	124.8	71%	0.711	65%	0.652	S	S	*	*			trans	-163.8	106.1	149.6	-96.8	-19.9	0	0	0	106.7	N379	N377-N379 PolarHBondContact O-N 3.18Å
378	L	23.2	Very low	30.6	Very low	169 Å²	169	123.3 Å²	123.3	89%	0.885	63%	0.627	S	S	*	*			trans	-47.3	98.6	144.1	-80.4	141.8	0	0	0	105.6	I380	L378-I380 PolarHBondContact O-N 3.15Å
379	N	26.5	Very low	30.6	Very low	95 Å²	95	124.2 Å²	124.2	51%	0.508	62%	0.623	S	S	.	*			trans	-68.6	81.6	171.4	-77.4	-16	0	0	0	106.7	N377 Y381	N377-N379 PolarHBondContact O-N 3.18Å; N379-Y381 HydrophobicContact CB-CD1 4.33Å; N379-Y381 HydrophobicContact CB-CD2 3.71Å; N379-Y381 HydrophobicContact CB-CE1 4.11Å; N379-Y381 HydrophobicContact CB-CE2 3.46Å; N379-Y381 VanDerWaalsContact CB-CE2 3.46Å; N379-Y381 HydrophobicContact CB-CG 4.15Å; N379-Y381 PolarHBondContact ND2-OH 3.16Å; N379-Y381 WeakPolarHBondContact O-CD2 3.45Å; N379-Y381 PolarHBondContact O-N 3.35Å
380	I	25.6	Very low	30.8	Very low	159 Å²	159	129.8 Å²	129.8	82%	0.815	65%	0.648	S	S	*	*			trans	-63.3	86.6	141.5	-57.3	174.7	0	0	0	103	L378 S382	L378-I380 PolarHBondContact O-N 3.15Å; I380-S382 PolarHBondContact O-N 3.4Å
381	Y	25.6	Very low	31	Very low	158 Å²	158	123.8 Å²	123.8	62%	0.62	63%	0.627	S	S	*	*			trans	-57.1	112.5	172.7	-72	-84.6	0	0	0	106.1	N379 L383	N379-Y381 HydrophobicContact CB-CD1 4.33Å; N379-Y381 HydrophobicContact CB-CD2 3.71Å; N379-Y381 HydrophobicContact CB-CE1 4.11Å; N379-Y381 HydrophobicContact CB-CE2 3.46Å; N379-Y381 VanDerWaalsContact CB-CE2 3.46Å; N379-Y381 HydrophobicContact CB-CG 4.15Å; N379-Y381 PolarHBondContact ND2-OH 3.16Å; N379-Y381 WeakPolarHBondContact O-CD2 3.45Å; N379-Y381 PolarHBondContact O-N 3.35Å; Y381-L383 VanDerWaalsContact C-N 3.31Å; Y381-L383 PolarHBondContact O-N 3.19Å
382	S	26.8	Very low	31.2	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	61%	0.613	S	S	*	*			trans	-63.9	107.6	157.6	70.9	0	0	0	0	105.1	I380 S384	I380-S382 PolarHBondContact O-N 3.4Å; S382-S384 VanDerWaalsContact C-N 3.31Å; S382-S384 PolarHBondContact O-N 2.87Å
383	L	25.9	Very low	31.6	Very low	67 Å²	67	121 Å²	121	35%	0.351	62%	0.616	S	S	.	*			trans	-66.4	94.8	179.1	-82.6	157.5	0	0	0	107.6	Y381 N387 L388	Y381-L383 VanDerWaalsContact C-N 3.31Å; Y381-L383 PolarHBondContact O-N 3.19Å; L383-N387 HydrophobicContact CD2-CB 4.44Å; L383-L388 HydrophobicContact CB-CD1 4.35Å; L383-L388 HydrophobicContact CD1-CD1 4.14Å; L383-L388 HydrophobicContact CD2-CD1 4.14Å; L383-L388 HydrophobicContact CG-CD1 4.45Å
384	S	35.8	Very low	32.4	Very low	60 Å²	60	113.2 Å²	113.2	42%	0.42	59%	0.591	S	S	.	*			trans	-66.2	144	159.6	73.8	0	0	0	0	108.4	S382 K386 N387 L388	S382-S384 VanDerWaalsContact C-N 3.31Å; S382-S384 PolarHBondContact O-N 2.87Å; S384-K386 PolarHBondContact O-N 2.96Å; S384-N387 PolarHBondContact O-N 3.26Å; S384-L388 PolarHBondContact O-N 2.82Å
385	M	35.8	Very low	33.3	Very low	145 Å²	145	112.3 Å²	112.3	71%	0.714	60%	0.596	S	S	*	*	H	α-helix	trans	-47.9	-30.8	179.7	-92.1	-73.4	-76	0	0	113.6	L388 T389	M385-L388 PolarHBondContact O-N 2.72Å; M385-L388 HydrophobicContact SD-CD2 4.43Å; M385-T389 PolarHBondContact O-N 3.26Å; M385-T389 VanDerWaalsContact O-N 3.13Å; M385-T389 PolarHBondContact O-OG1 3.1Å
386	K	37.3	Very low	34.2	Very low	173 Å²	173	110.2 Å²	110.2	75%	0.752	59%	0.588	S	S	*	*	H	α-helix	trans	-65.3	-43	177.4	-136.1	178.7	-177.3	-176.3	0	112.5	S384 T389 E390	S384-K386 PolarHBondContact O-N 2.96Å; K386-T389 PolarHBondContact O-N 3.29Å; K386-E390 PolarHBondContact O-N 3Å
387	N	38.3	Very low	35.3	Very low	65 Å²	65	110.1 Å²	110.1	35%	0.348	58%	0.577	S	S	.	*	H	α-helix	trans	-72.8	-33.4	177.5	-68	-2.9	0	0	0	111.8	L383 S384 T389 E390 V391	L383-N387 HydrophobicContact CD2-CB 4.44Å; S384-N387 PolarHBondContact O-N 3.26Å; N387-T389 PolarHBondContact O-N 2.97Å; N387-E390 PolarHBondContact O-N 3.36Å; N387-V391 WeakPolarHBondContact O-CG2 3.17Å; N387-V391 PolarHBondContact O-N 2.97Å
388	L	35.3	Very low	36.4	Very low	40 Å²	40	107.3 Å²	107.3	21%	0.209	57%	0.566	C	S	.	*	H	α-helix	trans	-59.6	-41	172.9	-156.6	99	0	0	0	110.2	L383 S384 M385 V391 L392	L383-L388 HydrophobicContact CB-CD1 4.35Å; L383-L388 HydrophobicContact CD1-CD1 4.14Å; L383-L388 HydrophobicContact CD2-CD1 4.14Å; L383-L388 HydrophobicContact CG-CD1 4.45Å; S384-L388 PolarHBondContact O-N 2.82Å; M385-L388 PolarHBondContact O-N 2.72Å; M385-L388 HydrophobicContact SD-CD2 4.43Å; L388-V391 PolarHBondContact O-N 3.04Å; L388-L392 HydrophobicContact CD2-CD1 3.51Å; L388-L392 HydrophobicContact CG-CD1 3.71Å; L388-L392 HydrophobicContact CG-CG 4.42Å; L388-L392 WeakPolarHBondContact O-CB 3.25Å; L388-L392 WeakPolarHBondContact O-CD1 3.15Å; L388-L392 WeakPolarHBondContact O-CG 3.3Å; L388-L392 PolarHBondContact O-N 3.06Å
389	T	40.5	Very low	37.8	Very low	66 Å²	66	110.2 Å²	110.2	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-67.4	-41	179.9	-37.3	0	0	0	0	111.8	M385 K386 N387 L392 L393	M385-T389 PolarHBondContact O-N 3.26Å; M385-T389 VanDerWaalsContact O-N 3.13Å; M385-T389 PolarHBondContact O-OG1 3.1Å; K386-T389 PolarHBondContact O-N 3.29Å; N387-T389 PolarHBondContact O-N 2.97Å; T389-L392 CarbonylContact O-C 3.58Å; T389-L392 PolarHBondContact O-N 3.13Å; T389-L393 HydrophobicContact CG2-CD1 3.76Å; T389-L393 HydrophobicContact CG2-CG 4.08Å; T389-L393 WeakPolarHBondContact O-CB 3.34Å; T389-L393 WeakPolarHBondContact O-CD1 3.48Å; T389-L393 WeakPolarHBondContact O-CG 3.44Å; T389-L393 PolarHBondContact O-N 3.12Å
390	E	40	Very low	39.3	Very low	151 Å²	151	107.6 Å²	107.6	71%	0.706	55%	0.551	S	S	*	*	H	α-helix	trans	-68	-35.3	175.5	-79.9	-177.3	169.1	0	0	113.2	K386 N387 L392	K386-E390 PolarHBondContact O-N 3Å; N387-E390 PolarHBondContact O-N 3.36Å; E390-L392 VanDerWaalsContact C-N 3.33Å
391	V	42.8	Very low	40.9	Very low	65 Å²	65	104.3 Å²	104.3	39%	0.394	54%	0.535	S	S	.	.	H	α-helix	trans	-72.1	-28.8	172.9	176	0	0	0	0	111.4	N387 L388 L394	N387-V391 WeakPolarHBondContact O-CG2 3.17Å; N387-V391 PolarHBondContact O-N 2.97Å; L388-V391 PolarHBondContact O-N 3.04Å; V391-L394 WeakPolarHBondContact O-CD1 3.33Å; V391-L394 WeakPolarHBondContact O-CG 3.32Å
392	L	40.1	Very low	42.6	Very low	95 Å²	95	106.7 Å²	106.7	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-92.4	-14.6	179.1	-71.3	171.7	0	0	0	114.7	L388 T389 E390 L394	L388-L392 HydrophobicContact CD2-CD1 3.51Å; L388-L392 HydrophobicContact CG-CD1 3.71Å; L388-L392 HydrophobicContact CG-CG 4.42Å; L388-L392 WeakPolarHBondContact O-CB 3.25Å; L388-L392 WeakPolarHBondContact O-CD1 3.15Å; L388-L392 WeakPolarHBondContact O-CG 3.3Å; L388-L392 PolarHBondContact O-N 3.06Å; T389-L392 CarbonylContact O-C 3.58Å; T389-L392 PolarHBondContact O-N 3.13Å; E390-L392 VanDerWaalsContact C-N 3.33Å; L392-L394 PolarHBondContact O-N 3.44Å
393	L	39.1	Very low	44.4	Very low	125 Å²	125	104.9 Å²	104.9	65%	0.654	53%	0.53	S	S	*	.			trans	-74.1	47.2	176.7	-84.6	162.1	0	0	0	111.8	T389 Q395	T389-L393 HydrophobicContact CG2-CD1 3.76Å; T389-L393 HydrophobicContact CG2-CG 4.08Å; T389-L393 WeakPolarHBondContact O-CB 3.34Å; T389-L393 WeakPolarHBondContact O-CD1 3.48Å; T389-L393 WeakPolarHBondContact O-CG 3.44Å; T389-L393 PolarHBondContact O-N 3.12Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.15Å
394	L	41.8	Very low	46.3	Very low	58 Å²	58	102.6 Å²	102.6	30%	0.304	52%	0.519	S	S	.	.			trans	-84	36.2	-173.8	-78.6	164.1	0	0	0	114.1	V391 L392 S396 L397	V391-L394 WeakPolarHBondContact O-CD1 3.33Å; V391-L394 WeakPolarHBondContact O-CG 3.32Å; L392-L394 PolarHBondContact O-N 3.44Å; L394-S396 PolarHBondContact O-N 3.11Å; L394-L397 HydrophobicContact CB-CD1 4.39Å; L394-L397 HydrophobicContact CD2-CD1 4.14Å; L394-L397 HydrophobicContact CD2-CD2 4.36Å; L394-L397 HydrophobicContact CD2-CG 4.03Å
395	Q	43.3	Very low	47.7	Very low	202 Å²	202	104.1 Å²	104.1	94%	0.944	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.2	174.6	-75.7	-167.3	-9.1	0	0	113.9	L393	L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.15Å
396	S	43.9	Very low	49.4	Very low	109 Å²	109	102 Å²	102	76%	0.762	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	23.2	-177.1	70.7	0	0	0	0	114.8	L394	L394-S396 PolarHBondContact O-N 3.11Å
397	L	49.7	Very low	51.3	Low	68 Å²	68	97.1 Å²	97.1	36%	0.356	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-64.1	130.2	169.9	-81.6	169.2	0	0	0	109.3	L394 R399 L425 R428	L394-L397 HydrophobicContact CB-CD1 4.39Å; L394-L397 HydrophobicContact CD2-CD1 4.14Å; L394-L397 HydrophobicContact CD2-CD2 4.36Å; L394-L397 HydrophobicContact CD2-CG 4.03Å; L397-R399 PolarHBondContact O-N 2.76Å; L397-L425 HydrophobicContact CD1-CD1 4.29Å; L397-R428 VanDerWaalsContact CD2-NH1 3.29Å
398	P	47.3	Very low	53.3	Low	75 Å²	75	97.9 Å²	97.9	49%	0.487	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-56.4	119.1	171.9	-16.4	26.7	0	0	0	107.6	L400	P398-L400 PolarHBondContact O-N 3.39Å
399	R	51.8	Low	55.5	Low	230 Å²	230	98.4 Å²	98.4	87%	0.868	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-49.9	130.6	174.2	-72.6	-176.5	175.7	178.7	-0.9	107.8	L397 D401	L397-R399 PolarHBondContact O-N 2.76Å; R399-D401 PolarHBondContact O-N 3.05Å
400	L	57.9	Low	57.4	Low	40 Å²	40	99.2 Å²	99.2	21%	0.209	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-55.7	136.4	171.2	-102	82.6	0	0	0	107.8	P398 R402 Q405 Y418	P398-L400 PolarHBondContact O-N 3.39Å; L400-R402 PolarHBondContact O-N 3.12Å; L400-R402 VanDerWaalsContact O-N 3.14Å; L400-Q405 HydrophobicContact CB-CG 4.49Å; L400-Q405 HydrophobicContact CD2-CG 4.2Å; L400-Y418 HydrophobicContact CD2-CD2 4.15Å; L400-Y418 HydrophobicContact CD2-CE2 3.42Å; L400-Y418 VanDerWaalsContact CD2-CE2 3.42Å; L400-Y418 HydrophobicContact CG-CE2 4.46Å
401	D	60.8	Low	59.4	Low	90 Å²	90	95.3 Å²	95.3	48%	0.481	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-65.5	117.3	175.5	-168.7	-24.7	0	0	0	107.8	R399 S403 V404	R399-D401 PolarHBondContact O-N 3.05Å; D401-S403 PolarHBondContact O-N 3.22Å; D401-S403 WeakPolarHBondContact OD1-CB 3.34Å; D401-S403 PolarHBondContact OD1-N 3.1Å; D401-S403 PolarHBondContact OD1-OG 3.22Å; D401-S403 PolarHBondContact OD2-OG 3.4Å; D401-V404 HydrophobicContact CB-CG2 4.26Å; D401-V404 PolarHBondContact O-N 2.87Å
402	R	59.7	Low	61.3	Low	207 Å²	207	93 Å²	93	78%	0.781	49%	0.485	S	S	*	.	H	α-helix	trans	-61.7	-26.9	-177.1	-71.6	-175.8	175.9	-174.4	-2.4	111.7	L400 V404 Q405	L400-R402 PolarHBondContact O-N 3.12Å; L400-R402 VanDerWaalsContact O-N 3.14Å; R402-V404 VanDerWaalsContact C-N 3.32Å; R402-V404 PolarHBondContact O-N 3.04Å; R402-Q405 PolarHBondContact O-N 3.12Å
403	S	65.3	Low	63.5	Low	71 Å²	71	90.5 Å²	90.5	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-34.3	179.3	64.9	0	0	0	0	112.9	D401 S406	D401-S403 PolarHBondContact O-N 3.22Å; D401-S403 WeakPolarHBondContact OD1-CB 3.34Å; D401-S403 PolarHBondContact OD1-N 3.1Å; D401-S403 PolarHBondContact OD1-OG 3.22Å; D401-S403 PolarHBondContact OD2-OG 3.4Å; S403-S406 PolarHBondContact O-OG 2.91Å; S403-S406 VanDerWaalsContact O-OG 3.07Å
404	V	65.9	Low	65.6	Low	19 Å²	19	92.9 Å²	92.9	12%	0.115	48%	0.476	C	S	.	.	H	α-helix	trans	-80.5	-28.4	-179	-177.9	0	0	0	0	111.4	D401 R402 S406 L407 K412 Y418	D401-V404 HydrophobicContact CB-CG2 4.26Å; D401-V404 PolarHBondContact O-N 2.87Å; R402-V404 VanDerWaalsContact C-N 3.32Å; R402-V404 PolarHBondContact O-N 3.04Å; V404-S406 PolarHBondContact O-N 2.94Å; V404-L407 HydrophobicContact CB-CD1 4.42Å; V404-L407 HydrophobicContact CG1-CD1 4.13Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 3.22Å; V404-K412 HydrophobicContact CG1-CG 4.37Å; V404-Y418 HydrophobicContact CB-CD2 4.29Å; V404-Y418 HydrophobicContact CG1-CD2 3.57Å; V404-Y418 HydrophobicContact CG1-CE2 4.26Å; V404-Y418 HydrophobicContact CG1-CG 3.99Å
405	Q	65.2	Low	67.5	Low	93 Å²	93	92.6 Å²	92.6	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-62.4	-30.2	-178.4	-72.9	-175.4	-25.1	0	0	113.5	L400 R402 L407	L400-Q405 HydrophobicContact CB-CG 4.49Å; L400-Q405 HydrophobicContact CD2-CG 4.2Å; R402-Q405 PolarHBondContact O-N 3.12Å; Q405-L407 VanDerWaalsContact C-N 3.3Å
406	S	71.9	Confident	69.2	Low	101 Å²	101	87.9 Å²	87.9	71%	0.706	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.9	176.6	50.4	0	0	0	0	114.1	S403 V404	S403-S406 PolarHBondContact O-OG 2.91Å; S403-S406 VanDerWaalsContact O-OG 3.07Å; V404-S406 PolarHBondContact O-N 2.94Å
407	L	77.2	Confident	70.7	Confident	69 Å²	69	84.4 Å²	84.4	36%	0.361	44%	0.435	S	S	.	.	S	Bend	trans	-74.8	152.5	-179.8	-64.2	175.6	0	0	0	111.8	V404 Q405 V411 K412	V404-L407 HydrophobicContact CB-CD1 4.42Å; V404-L407 HydrophobicContact CG1-CD1 4.13Å; V404-L407 WeakPolarHBondContact O-CB 3.42Å; V404-L407 PolarHBondContact O-N 3.22Å; Q405-L407 VanDerWaalsContact C-N 3.3Å; L407-V411 HydrophobicContact CB-CB 4.33Å; L407-V411 HydrophobicContact CB-CG1 4.35Å; L407-V411 HydrophobicContact CD1-CG1 3.95Å; L407-K412 HydrophobicContact CB-CG 4.18Å; L407-K412 WeakPolarHBondContact O-CE 3.38Å
408	P	79.6	Confident	72.2	Confident	82 Å²	82	81.7 Å²	81.7	53%	0.532	42%	0.42	S	S	.	.			trans	-54.6	146.2	173.1	-24.7	33.9	0	0	0	112.4	L410 V411 K412	P408-L410 VanDerWaalsContact C-N 3.3Å; P408-L410 PolarHBondContact O-N 3.38Å; P408-V411 HydrophobicContact CB-CG2 4.28Å; P408-V411 HydrophobicContact CG-CG2 4.42Å; P408-V411 WeakPolarHBondContact O-CA 3.34Å; P408-V411 WeakPolarHBondContact O-CB 3.27Å; P408-V411 PolarHBondContact O-N 2.98Å; P408-K412 PolarHBondContact O-N 3.15Å; P408-K412 VanDerWaalsContact O-N 3.12Å
409	L	81.5	Confident	73.8	Confident	51 Å²	51	79.5 Å²	79.5	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-53.4	-44.1	-175.2	-178.4	59.7	0	0	0	113.2	V411 K412 E413 D447 H664	L409-V411 PolarHBondContact O-N 3.45Å; L409-K412 WeakPolarHBondContact O-CB 3.29Å; L409-K412 PolarHBondContact O-N 3.36Å; L409-K412 VanDerWaalsContact O-N 3.1Å; L409-E413 HydrophobicContact CD1-CG 4.36Å; L409-E413 PolarHBondContact O-N 3.44Å; L409-D447 HydrophobicContact CD1-CB 3.58Å; L409-H664 HydrophobicContact CD2-CB 4.24Å
410	L	80.5	Confident	75	Confident	82 Å²	82	69.9 Å²	69.9	43%	0.429	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-27.8	177.7	-73.1	166.9	0	0	0	113.8	P408 K414 Y660	P408-L410 VanDerWaalsContact C-N 3.3Å; P408-L410 PolarHBondContact O-N 3.38Å; L410-K414 WeakPolarHBondContact O-CG 3.36Å; L410-Y660 HydrophobicContact CD2-CD2 4.42Å
411	V	81.8	Confident	76	Confident	69 Å²	69	71 Å²	71	42%	0.418	37%	0.373	S	S	.	.	H	α-helix	trans	-78.1	-43.5	175.3	-177.9	0	0	0	0	109.4	L407 P408 L409 E413 K414 D415	L407-V411 HydrophobicContact CB-CB 4.33Å; L407-V411 HydrophobicContact CB-CG1 4.35Å; L407-V411 HydrophobicContact CD1-CG1 3.95Å; P408-V411 HydrophobicContact CB-CG2 4.28Å; P408-V411 HydrophobicContact CG-CG2 4.42Å; P408-V411 WeakPolarHBondContact O-CA 3.34Å; P408-V411 WeakPolarHBondContact O-CB 3.27Å; P408-V411 PolarHBondContact O-N 2.98Å; L409-V411 PolarHBondContact O-N 3.45Å; V411-E413 VanDerWaalsContact C-N 3.3Å; V411-E413 PolarHBondContact O-N 3.37Å; V411-K414 PolarHBondContact O-N 3.3Å; V411-K414 VanDerWaalsContact O-N 3.12Å; V411-D415 PolarHBondContact O-N 2.9Å
412	K	83.7	Confident	77.2	Confident	18 Å²	18	67 Å²	67	8%	0.078	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-37.1	175.3	-64	-171.1	-67.1	164.4	0	112.7	V404 L407 P408 L409 K414 D415 Y418 Q419 D447	V404-K412 HydrophobicContact CG1-CG 4.37Å; L407-K412 HydrophobicContact CB-CG 4.18Å; L407-K412 WeakPolarHBondContact O-CE 3.38Å; P408-K412 PolarHBondContact O-N 3.15Å; P408-K412 VanDerWaalsContact O-N 3.12Å; L409-K412 WeakPolarHBondContact O-CB 3.29Å; L409-K412 PolarHBondContact O-N 3.36Å; L409-K412 VanDerWaalsContact O-N 3.1Å; K412-K414 VanDerWaalsContact C-N 3.28Å; K412-K414 PolarHBondContact O-N 2.89Å; K412-D415 PolarHBondContact O-N 2.9Å; K412-Y418 HydrophobicContact CB-CD1 3.87Å; K412-Y418 HydrophobicContact CB-CE1 3.75Å; K412-Y418 HydrophobicContact CD-CE1 4.18Å; K412-Y418 HydrophobicContact CD-CE2 4.32Å; K412-Y418 HydrophobicContact CG-CE1 4.36Å; K412-Y418 WeakPolarHBondContact O-CD1 2.91Å; K412-Q419 PolarHBondContact O-NE2 2.94Å; K412-D447 WeakPolarHBondContact CE-OD2 3.37Å; K412-D447 IonicContact NZ-OD2 3.87Å; K412-D447 PolarHBondContact NZ-OD2 2.94Å
413	E	86.2	Confident	78.3	Confident	42 Å²	42	58.6 Å²	58.6	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-25.9	176.1	-76.6	-174.5	152.4	0	0	113.5	L409 V411 Q419 P450 R453 H664	L409-E413 HydrophobicContact CD1-CG 4.36Å; L409-E413 PolarHBondContact O-N 3.44Å; V411-E413 VanDerWaalsContact C-N 3.3Å; V411-E413 PolarHBondContact O-N 3.37Å; E413-Q419 WeakPolarHBondContact O-CG 3.37Å; E413-P450 HydrophobicContact CB-CG 4.46Å; E413-P450 HydrophobicContact CG-CG 3.93Å; E413-P450 WeakPolarHBondContact OE1-CG 3.35Å; E413-R453 IonicContact OE1-CZ 3.65Å; E413-R453 IonicContact OE1-NH2 2.77Å; E413-R453 PolarHBondContact OE1-NH2 3.36Å; E413-H664 VanDerWaalsContact CD-NE2 3.26Å; E413-H664 IonicContact OE1-CD2 3.4Å; E413-H664 IonicContact OE1-NE2 3.71Å; E413-H664 PolarHBondContact OE1-NE2 3.4Å; E413-H664 IonicContact OE2-CE1 3.86Å; E413-H664 PolarHBondContact OE2-CE1 2.87Å; E413-H664 IonicContact OE2-NE2 3.51Å; E413-H664 PolarHBondContact OE2-NE2 3.49Å
414	K	82.8	Confident	78.8	Confident	175 Å²	175	57 Å²	57	76%	0.761	32%	0.315	S	S	*	.	H	α-helix	trans	-93.6	-15	177.9	-68.4	178.6	-179.6	-178.9	0	113.5	L410 V411 K412 V416	L410-K414 WeakPolarHBondContact O-CG 3.36Å; V411-K414 PolarHBondContact O-N 3.3Å; V411-K414 VanDerWaalsContact O-N 3.12Å; K412-K414 VanDerWaalsContact C-N 3.28Å; K412-K414 PolarHBondContact O-N 2.89Å; K414-V416 PolarHBondContact O-N 3.01Å
415	D	82.1	Confident	79.6	Confident	51 Å²	51	57 Å²	57	27%	0.273	31%	0.314	S	S	.	.			trans	-76.5	109.7	177.7	-173.1	-67.6	0	0	0	110.5	V411 K412 S417 Y418 Q419	V411-D415 PolarHBondContact O-N 2.9Å; K412-D415 PolarHBondContact O-N 2.9Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-S417 PolarHBondContact O-N 3.42Å; D415-S417 WeakPolarHBondContact OD1-CB 3.35Å; D415-S417 PolarHBondContact OD1-N 2.97Å; D415-Y418 PolarHBondContact O-N 3.22Å; D415-Y418 WeakPolarHBondContact OD1-CB 3.4Å; D415-Y418 PolarHBondContact OD1-N 2.82Å; D415-Q419 WeakPolarHBondContact O-CB 3.43Å; D415-Q419 WeakPolarHBondContact O-CG 3.37Å; D415-Q419 PolarHBondContact O-N 2.94Å
416	V	78.3	Confident	80.7	Confident	103 Å²	103	52.6 Å²	52.6	62%	0.624	29%	0.293	S	S	*	.	H	α-helix	trans	-59.4	-45.1	-176.6	179.1	0	0	0	0	111.2	K414 Y418 Q419 V420	K414-V416 PolarHBondContact O-N 3.01Å; V416-Y418 VanDerWaalsContact C-N 3.34Å; V416-Y418 PolarHBondContact O-N 3.13Å; V416-Q419 PolarHBondContact O-N 3.01Å; V416-V420 HydrophobicContact CG1-CG2 4.27Å; V416-V420 WeakPolarHBondContact O-CG2 3.4Å; V416-V420 PolarHBondContact O-N 3.07Å
417	S	75	Confident	81.3	Confident	37 Å²	37	55.9 Å²	55.9	26%	0.259	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-39.2	-176.1	-50.1	0	0	0	0	112	F17 D415 K421	F17-S417 WeakPolarHBondContact CE1-OG 3.22Å; F17-S417 WeakPolarHBondContact CZ-OG 3.14Å; D415-S417 VanDerWaalsContact C-N 3.34Å; D415-S417 PolarHBondContact O-N 3.42Å; D415-S417 WeakPolarHBondContact OD1-CB 3.35Å; D415-S417 PolarHBondContact OD1-N 2.97Å; S417-K421 WeakPolarHBondContact O-CG 3.48Å; S417-K421 PolarHBondContact O-N 2.89Å
418	Y	81.2	Confident	81.4	Confident	11 Å²	11	57.8 Å²	57.8	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-50.8	173.1	-174	-95.9	0	0	0	111	L400 V404 K412 D415 V416 V420 K421 R422 D447	L400-Y418 HydrophobicContact CD2-CD2 4.15Å; L400-Y418 HydrophobicContact CD2-CE2 3.42Å; L400-Y418 VanDerWaalsContact CD2-CE2 3.42Å; L400-Y418 HydrophobicContact CG-CE2 4.46Å; V404-Y418 HydrophobicContact CB-CD2 4.29Å; V404-Y418 HydrophobicContact CG1-CD2 3.57Å; V404-Y418 HydrophobicContact CG1-CE2 4.26Å; V404-Y418 HydrophobicContact CG1-CG 3.99Å; K412-Y418 HydrophobicContact CB-CD1 3.87Å; K412-Y418 HydrophobicContact CB-CE1 3.75Å; K412-Y418 HydrophobicContact CD-CE1 4.18Å; K412-Y418 HydrophobicContact CD-CE2 4.32Å; K412-Y418 HydrophobicContact CG-CE1 4.36Å; K412-Y418 WeakPolarHBondContact O-CD1 2.91Å; D415-Y418 PolarHBondContact O-N 3.22Å; D415-Y418 WeakPolarHBondContact OD1-CB 3.4Å; D415-Y418 PolarHBondContact OD1-N 2.82Å; V416-Y418 VanDerWaalsContact C-N 3.34Å; V416-Y418 PolarHBondContact O-N 3.13Å; Y418-V420 VanDerWaalsContact C-N 3.32Å; Y418-V420 PolarHBondContact O-N 3.35Å; Y418-K421 PolarHBondContact O-N 3.34Å; Y418-K421 VanDerWaalsContact O-N 3.15Å; Y418-R422 HydrophobicContact CD1-CG 3.83Å; Y418-R422 HydrophobicContact CE1-CG 3.42Å; Y418-R422 VanDerWaalsContact CE1-CG 3.42Å; Y418-R422 HydrophobicContact CE2-CG 4.35Å; Y418-R422 HydrophobicContact CG-CG 4.44Å; Y418-R422 WeakPolarHBondContact O-CG 2.76Å; Y418-R422 PolarHBondContact O-N 3.08Å; Y418-D447 WeakPolarHBondContact CE1-OD2 2.91Å; Y418-D447 VanDerWaalsContact OH-CG 3.31Å; Y418-D447 PolarHBondContact OH-OD1 2.79Å; Y418-D447 PolarHBondContact OH-OD2 3.48Å
419	Q	82.4	Confident	81.7	Confident	29 Å²	29	54.5 Å²	54.5	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-38.8	-179.3	-74.3	-53.2	-51.9	0	0	112.4	K412 E413 D415 V416 K421 R422 T423	K412-Q419 PolarHBondContact O-NE2 2.94Å; E413-Q419 WeakPolarHBondContact O-CG 3.37Å; D415-Q419 WeakPolarHBondContact O-CB 3.43Å; D415-Q419 WeakPolarHBondContact O-CG 3.37Å; D415-Q419 PolarHBondContact O-N 2.94Å; V416-Q419 PolarHBondContact O-N 3.01Å; Q419-K421 PolarHBondContact O-N 2.96Å; Q419-R422 PolarHBondContact O-N 2.94Å; Q419-T423 WeakPolarHBondContact O-CB 3.22Å; Q419-T423 PolarHBondContact O-N 3.1Å; Q419-T423 PolarHBondContact O-OG1 3.37Å
420	V	76.6	Confident	81.9	Confident	28 Å²	28	53.6 Å²	53.6	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-44.5	176.1	172.3	0	0	0	0	111.3	M20 L22 V416 Y418 A424	M20-V420 HydrophobicContact SD-CG1 3.34Å; M20-V420 WeakPolarHBondContact SD-CG1 2.87Å; L22-V420 HydrophobicContact CD1-CG2 3.85Å; L22-V420 HydrophobicContact CD2-CG1 4.34Å; L22-V420 HydrophobicContact CD2-CG2 4.02Å; L22-V420 HydrophobicContact CG-CG2 4.32Å; V416-V420 HydrophobicContact CG1-CG2 4.27Å; V416-V420 WeakPolarHBondContact O-CG2 3.4Å; V416-V420 PolarHBondContact O-N 3.07Å; Y418-V420 VanDerWaalsContact C-N 3.32Å; Y418-V420 PolarHBondContact O-N 3.35Å; V420-A424 WeakPolarHBondContact O-CB 3.46Å; V420-A424 PolarHBondContact O-N 3.23Å
421	K	78.1	Confident	81.9	Confident	64 Å²	64	53.5 Å²	53.5	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.4	-69.7	176.8	-175.9	-179.6	0	111.7	S417 Y418 Q419 A424 L425	S417-K421 WeakPolarHBondContact O-CG 3.48Å; S417-K421 PolarHBondContact O-N 2.89Å; Y418-K421 PolarHBondContact O-N 3.34Å; Y418-K421 VanDerWaalsContact O-N 3.15Å; Q419-K421 PolarHBondContact O-N 2.96Å; K421-A424 PolarHBondContact O-N 2.89Å; K421-L425 PolarHBondContact O-N 3.48Å; K421-L425 VanDerWaalsContact O-N 3.11Å
422	R	86.4	Confident	82	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-46.2	178	-64.3	-61.6	-73.9	164.5	-8.6	111.3	Y418 Q419 A424 L425 F426 E443 D447 P449	Y418-R422 HydrophobicContact CD1-CG 3.83Å; Y418-R422 HydrophobicContact CE1-CG 3.42Å; Y418-R422 VanDerWaalsContact CE1-CG 3.42Å; Y418-R422 HydrophobicContact CE2-CG 4.35Å; Y418-R422 HydrophobicContact CG-CG 4.44Å; Y418-R422 WeakPolarHBondContact O-CG 2.76Å; Y418-R422 PolarHBondContact O-N 3.08Å; Q419-R422 PolarHBondContact O-N 2.94Å; R422-A424 PolarHBondContact O-N 2.69Å; R422-L425 WeakPolarHBondContact O-CB 3.33Å; R422-L425 PolarHBondContact O-N 2.78Å; R422-L425 VanDerWaalsContact O-N 3.17Å; R422-F426 WeakPolarHBondContact O-CD2 3.45Å; R422-F426 PolarHBondContact O-N 3.07Å; R422-E443 IonicContact CZ-OE2 2.59Å; R422-E443 IonicContact NH1-OE2 3.81Å; R422-E443 PolarHBondContact NH1-OE2 2.91Å; R422-E443 PolarHBondContact NH2-O 3.44Å; R422-D447 IonicContact CZ-OD1 2.73Å; R422-D447 IonicContact NE-OD1 2.75Å; R422-D447 PolarHBondContact NE-OD1 3.2Å; R422-D447 PolarHBondContact NH2-O 3.06Å; R422-D447 IonicContact NH2-OD1 2.92Å; R422-D447 PolarHBondContact NH2-OD1 2.94Å; R422-P449 HydrophobicContact CB-CB 4.12Å; R422-P449 HydrophobicContact CB-CG 4.3Å
423	T	81.7	Confident	81.9	Confident	32 Å²	32	52.7 Å²	52.7	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-48.2	176.4	-63	0	0	0	0	110.8	Q419 L425 F426 R427 I451 Y452	Q419-T423 WeakPolarHBondContact O-CB 3.22Å; Q419-T423 PolarHBondContact O-N 3.1Å; Q419-T423 PolarHBondContact O-OG1 3.37Å; T423-L425 VanDerWaalsContact C-N 3.31Å; T423-L425 PolarHBondContact O-N 3.01Å; T423-F426 PolarHBondContact O-N 2.62Å; T423-R427 VanDerWaalsContact O-CB 3.29Å; T423-R427 WeakPolarHBondContact O-CB 3.45Å; T423-R427 PolarHBondContact O-N 3.12Å; T423-I451 HydrophobicContact CG2-CG2 3.86Å; T423-Y452 HydrophobicContact CG2-CD2 4.11Å; T423-Y452 HydrophobicContact CG2-CE2 3.37Å; T423-Y452 WeakPolarHBondContact O-CE2 3.34Å
424	A	77.4	Confident	81.8	Confident	38 Å²	38	54.1 Å²	54.1	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-39.5	177.8	0	0	0	0	0	112.9	V420 K421 R422 R428	V420-A424 WeakPolarHBondContact O-CB 3.46Å; V420-A424 PolarHBondContact O-N 3.23Å; K421-A424 PolarHBondContact O-N 2.89Å; R422-A424 PolarHBondContact O-N 2.69Å; A424-R428 WeakPolarHBondContact O-CG 3.49Å; A424-R428 PolarHBondContact O-N 3.2Å
425	L	83	Confident	81.9	Confident	18 Å²	18	54.4 Å²	54.4	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-55	175.8	176.4	63.4	0	0	0	111.6	L397 K421 R422 T423 R427 R428 L429 E443	L397-L425 HydrophobicContact CD1-CD1 4.29Å; K421-L425 PolarHBondContact O-N 3.48Å; K421-L425 VanDerWaalsContact O-N 3.11Å; R422-L425 WeakPolarHBondContact O-CB 3.33Å; R422-L425 PolarHBondContact O-N 2.78Å; R422-L425 VanDerWaalsContact O-N 3.17Å; T423-L425 VanDerWaalsContact C-N 3.31Å; T423-L425 PolarHBondContact O-N 3.01Å; L425-R427 VanDerWaalsContact C-N 3.31Å; L425-R427 PolarHBondContact O-N 3.12Å; L425-R428 WeakPolarHBondContact O-CB 3Å; L425-R428 PolarHBondContact O-N 2.74Å; L425-L429 HydrophobicContact CD1-CD1 4.01Å; L425-L429 HydrophobicContact CD1-CG 4.2Å; L425-L429 HydrophobicContact CG-CD1 3.9Å; L425-L429 HydrophobicContact CG-CG 4.44Å; L425-L429 WeakPolarHBondContact O-CG 3.05Å; L425-L429 PolarHBondContact O-N 3.13Å; L425-E443 HydrophobicContact CD2-CB 4.46Å; L425-E443 HydrophobicContact CD2-CG 3.97Å; L425-E443 WeakPolarHBondContact CD2-OE2 3.43Å
426	F	87.1	Confident	82	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-35.5	-177.3	-86.9	-93.1	0	0	0	112.8	R422 T423 R428 L429 L430 L440 E443 A444 P449 Y452 V456	R422-F426 WeakPolarHBondContact O-CD2 3.45Å; R422-F426 PolarHBondContact O-N 3.07Å; T423-F426 PolarHBondContact O-N 2.62Å; F426-R428 VanDerWaalsContact C-N 3.28Å; F426-R428 PolarHBondContact O-N 3.02Å; F426-L429 PolarHBondContact O-N 3.35Å; F426-L430 VanDerWaalsContact O-CB 3.31Å; F426-L430 WeakPolarHBondContact O-CB 3.04Å; F426-L430 VanDerWaalsContact O-CG 3.29Å; F426-L430 WeakPolarHBondContact O-CG 3.1Å; F426-L430 PolarHBondContact O-N 3.09Å; F426-L440 HydrophobicContact CD1-CD1 3.59Å; F426-L440 HydrophobicContact CE1-CD1 3.77Å; F426-E443 HydrophobicContact CE2-CB 4.36Å; F426-E443 HydrophobicContact CZ-CB 4.15Å; F426-A444 HydrophobicContact CE1-CB 4.37Å; F426-A444 HydrophobicContact CZ-CB 4.37Å; F426-P449 HydrophobicContact CB-CG 3.92Å; F426-P449 HydrophobicContact CD1-CG 4.4Å; F426-P449 HydrophobicContact CD2-CG 3.48Å; F426-P449 VanDerWaalsContact CD2-CG 3.48Å; F426-P449 HydrophobicContact CE2-CG 4.04Å; F426-P449 HydrophobicContact CG-CG 3.66Å; F426-Y452 HydrophobicContact CB-CD2 3.82Å; F426-Y452 HydrophobicContact CB-CG 4.32Å; F426-V456 HydrophobicContact CD1-CG2 3.39Å; F426-V456 HydrophobicContact CE1-CG1 4.11Å; F426-V456 HydrophobicContact CE1-CG2 3.68Å; F426-V456 HydrophobicContact CG-CG2 4.5Å
427	R	84.3	Confident	82.2	Confident	170 Å²	170	48.2 Å²	48.2	64%	0.642	24%	0.242	S	C	*	.	H	α-helix	trans	-55.4	-44.9	171.9	-174.2	178.5	172.3	177.2	-2.2	111.8	T423 L425 A431 Y452	T423-R427 VanDerWaalsContact O-CB 3.29Å; T423-R427 WeakPolarHBondContact O-CB 3.45Å; T423-R427 PolarHBondContact O-N 3.12Å; L425-R427 VanDerWaalsContact C-N 3.31Å; L425-R427 PolarHBondContact O-N 3.12Å; R427-A431 VanDerWaalsContact O-CB 3.27Å; R427-A431 WeakPolarHBondContact O-CB 3.48Å; R427-A431 PolarHBondContact O-N 2.91Å; R427-Y452 HydrophobicContact CB-CE2 3.8Å; R427-Y452 WeakPolarHBondContact CB-OH 3.07Å; R427-Y452 WeakPolarHBondContact CD-OH 3.44Å; R427-Y452 WeakPolarHBondContact CG-OH 3.49Å
428	R	80.6	Confident	82.3	Confident	109 Å²	109	51.4 Å²	51.4	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-70.6	-43.5	-179.6	-68.6	171.7	-173.7	174.3	2.7	111.5	L397 A424 L425 F426 A431 A432	L397-R428 VanDerWaalsContact CD2-NH1 3.29Å; A424-R428 WeakPolarHBondContact O-CG 3.49Å; A424-R428 PolarHBondContact O-N 3.2Å; L425-R428 WeakPolarHBondContact O-CB 3Å; L425-R428 PolarHBondContact O-N 2.74Å; F426-R428 VanDerWaalsContact C-N 3.28Å; F426-R428 PolarHBondContact O-N 3.02Å; R428-A431 PolarHBondContact O-N 3.23Å; R428-A432 PolarHBondContact O-N 2.93Å
429	L	84	Confident	82.4	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-48	177.3	-65	174.3	0	0	0	110.5	L425 F426 A431 A432 Y433 T436 K439 L440 E443	L425-L429 HydrophobicContact CD1-CD1 4.01Å; L425-L429 HydrophobicContact CD1-CG 4.2Å; L425-L429 HydrophobicContact CG-CD1 3.9Å; L425-L429 HydrophobicContact CG-CG 4.44Å; L425-L429 WeakPolarHBondContact O-CG 3.05Å; L425-L429 PolarHBondContact O-N 3.13Å; F426-L429 PolarHBondContact O-N 3.35Å; L429-A431 VanDerWaalsContact C-N 3.35Å; L429-A431 PolarHBondContact O-N 2.87Å; L429-A432 CarbonylContact O-C 3.54Å; L429-A432 PolarHBondContact O-N 3.44Å; L429-Y433 PolarHBondContact O-N 3.19Å; L429-Y433 VanDerWaalsContact O-N 3.07Å; L429-T436 HydrophobicContact CD2-CG2 4.25Å; L429-T436 PolarHBondContact O-OG1 3.12Å; L429-K439 HydrophobicContact CD1-CG 4.49Å; L429-K439 HydrophobicContact CD2-CB 4.02Å; L429-K439 HydrophobicContact CD2-CG 3.66Å; L429-L440 HydrophobicContact CB-CB 4.42Å; L429-L440 HydrophobicContact CB-CD1 3.74Å; L429-L440 HydrophobicContact CD1-CD1 4.24Å; L429-E443 HydrophobicContact CD1-CB 4.16Å; L429-E443 HydrophobicContact CD1-CG 4.01Å
430	L	86	Confident	82.4	Confident	32 Å²	32	54.2 Å²	54.2	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-36.7	177.1	-71	168.6	0	0	0	112.7	F426 A432 Y433 L440 Y452 L455 V456 A459	F426-L430 VanDerWaalsContact O-CB 3.31Å; F426-L430 WeakPolarHBondContact O-CB 3.04Å; F426-L430 VanDerWaalsContact O-CG 3.29Å; F426-L430 WeakPolarHBondContact O-CG 3.1Å; F426-L430 PolarHBondContact O-N 3.09Å; L430-A432 PolarHBondContact O-N 3.15Å; L430-Y433 WeakPolarHBondContact O-CB 3.46Å; L430-Y433 PolarHBondContact O-N 2.94Å; L430-L440 HydrophobicContact CD2-CD1 4.28Å; L430-L440 HydrophobicContact CD2-CD2 4.02Å; L430-L440 HydrophobicContact CG-CD1 4.31Å; L430-Y452 HydrophobicContact CD1-CD1 3.84Å; L430-Y452 HydrophobicContact CD1-CG 4.01Å; L430-L455 HydrophobicContact CD1-CB 3.8Å; L430-L455 HydrophobicContact CD1-CD1 4.34Å; L430-L455 HydrophobicContact CD2-CB 4.24Å; L430-V456 HydrophobicContact CD1-CG2 4.16Å; L430-V456 HydrophobicContact CD2-CG2 4.4Å; L430-A459 HydrophobicContact CD2-CB 4.23Å
431	A	82.3	Confident	82.6	Confident	80 Å²	80	53.5 Å²	53.5	66%	0.661	26%	0.26	S	S	*	.	H	α-helix	trans	-66.2	-22.5	177.7	0	0	0	0	0	113.9	R427 R428 L429	R427-A431 VanDerWaalsContact O-CB 3.27Å; R427-A431 WeakPolarHBondContact O-CB 3.48Å; R427-A431 PolarHBondContact O-N 2.91Å; R428-A431 PolarHBondContact O-N 3.23Å; L429-A431 VanDerWaalsContact C-N 3.35Å; L429-A431 PolarHBondContact O-N 2.87Å
432	A	82.6	Confident	82.6	Confident	8 Å²	8	51.9 Å²	51.9	7%	0.066	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	6.3	177.6	0	0	0	0	0	113.2	R428 L429 L430 Y435 T436	R428-A432 PolarHBondContact O-N 2.93Å; L429-A432 CarbonylContact O-C 3.54Å; L429-A432 PolarHBondContact O-N 3.44Å; L430-A432 PolarHBondContact O-N 3.15Å; A432-Y435 WeakPolarHBondContact O-CB 3.35Å; A432-Y435 PolarHBondContact O-N 3.47Å; A432-Y435 VanDerWaalsContact O-N 3.07Å; A432-T436 HydrophobicContact CB-CG2 3.51Å; A432-T436 PolarHBondContact O-N 3.19Å; A432-T436 PolarHBondContact O-OG1 3.34Å
433	Y	81.8	Confident	82.5	Confident	62 Å²	62	53.1 Å²	53.1	24%	0.243	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	137.3	170.7	-179	-89.4	0	0	0	109.3	L429 L430 T436 R437 L440 A459 D462	L429-Y433 PolarHBondContact O-N 3.19Å; L429-Y433 VanDerWaalsContact O-N 3.07Å; L430-Y433 WeakPolarHBondContact O-CB 3.46Å; L430-Y433 PolarHBondContact O-N 2.94Å; Y433-T436 PolarHBondContact N-OG1 3.44Å; Y433-R437 HydrophobicContact CD2-CB 4.11Å; Y433-R437 HydrophobicContact CD2-CG 4.42Å; Y433-R437 HydrophobicContact CE2-CB 3.86Å; Y433-R437 HydrophobicContact CE2-CG 3.8Å; Y433-L440 HydrophobicContact CD2-CD2 4.28Å; Y433-A459 HydrophobicContact CD2-CB 3.92Å; Y433-A459 HydrophobicContact CE2-CB 3.69Å; Y433-A459 HydrophobicContact CG-CB 4.46Å; Y433-A459 PolarHBondContact OH-O 3.06Å; Y433-D462 PolarHBondContact OH-OD1 3.38Å
434	P	84.9	Confident	82.6	Confident	73 Å²	73	51.9 Å²	51.9	47%	0.474	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.5	-10.1	13.5	33.8	-36	0	0	0	116.1	T436 R437	P434-T436 PolarHBondContact O-N 3.45Å; P434-T436 VanDerWaalsContact O-N 3.11Å; P434-R437 VanDerWaalsContact O-CB 3.31Å; P434-R437 WeakPolarHBondContact O-CB 2.91Å; P434-R437 PolarHBondContact O-N 2.72Å
435	Y	84.3	Confident	82.5	Confident	180 Å²	180	54.4 Å²	54.4	71%	0.706	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.8	-174.1	-54.7	-76.6	0	0	0	114.1	A432	A432-Y435 WeakPolarHBondContact O-CB 3.35Å; A432-Y435 PolarHBondContact O-N 3.47Å; A432-Y435 VanDerWaalsContact O-N 3.07Å
436	T	84.9	Confident	82.3	Confident	16 Å²	16	60 Å²	60	10%	0.098	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.9	178.8	48.4	0	0	0	0	113.7	L429 A432 Y433 P434 E438 K439 L440	L429-T436 HydrophobicContact CD2-CG2 4.25Å; L429-T436 PolarHBondContact O-OG1 3.12Å; A432-T436 HydrophobicContact CB-CG2 3.51Å; A432-T436 PolarHBondContact O-N 3.19Å; A432-T436 PolarHBondContact O-OG1 3.34Å; Y433-T436 PolarHBondContact N-OG1 3.44Å; P434-T436 PolarHBondContact O-N 3.45Å; P434-T436 VanDerWaalsContact O-N 3.11Å; T436-E438 VanDerWaalsContact C-N 3.32Å; T436-E438 PolarHBondContact O-N 2.87Å; T436-K439 CarbonylContact O-C 3.58Å; T436-K439 PolarHBondContact O-N 2.59Å; T436-L440 PolarHBondContact O-N 2.84Å
437	R	81.4	Confident	82.1	Confident	9 Å²	9	60.5 Å²	60.5	3%	0.034	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-45.2	-172.8	-173.2	-171.9	-172.4	-107.5	0.1	112.7	Y433 P434 K439 L440 I441 I460 W746	Y433-R437 HydrophobicContact CD2-CB 4.11Å; Y433-R437 HydrophobicContact CD2-CG 4.42Å; Y433-R437 HydrophobicContact CE2-CB 3.86Å; Y433-R437 HydrophobicContact CE2-CG 3.8Å; P434-R437 VanDerWaalsContact O-CB 3.31Å; P434-R437 WeakPolarHBondContact O-CB 2.91Å; P434-R437 PolarHBondContact O-N 2.72Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 PolarHBondContact O-N 2.97Å; R437-L440 WeakPolarHBondContact O-CB 3.45Å; R437-L440 PolarHBondContact O-N 3.48Å; R437-L440 VanDerWaalsContact O-N 3.13Å; R437-I441 HydrophobicContact CG-CD1 3.9Å; R437-I441 HydrophobicContact CG-CG1 4.34Å; R437-I441 WeakPolarHBondContact O-CG1 3.33Å; R437-I441 PolarHBondContact O-N 3.01Å; R437-I460 PolarHBondContact NH2-O 3.34Å; R437-I460 VanDerWaalsContact NH2-O 3.09Å; R437-W746 HydrophobicContact CB-CH2 4.45Å; R437-W746 HydrophobicContact CG-CH2 4.23Å; R437-W746 VanDerWaalsContact NH1-CH2 3.32Å
438	E	78.5	Confident	82.3	Confident	103 Å²	103	52.5 Å²	52.5	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-54.5	-47.1	176.8	-63.8	-158.9	168.6	0	0	111.7	T436 I441 S442 Y750	T436-E438 VanDerWaalsContact C-N 3.32Å; T436-E438 PolarHBondContact O-N 2.87Å; E438-I441 PolarHBondContact O-N 3.24Å; E438-S442 WeakPolarHBondContact O-CB 3.42Å; E438-S442 PolarHBondContact O-N 2.79Å; E438-Y750 HydrophobicContact CB-CE2 3.62Å; E438-Y750 HydrophobicContact CG-CE2 3.67Å
439	K	82.9	Confident	82.8	Confident	99 Å²	99	47.4 Å²	47.4	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-68.6	-39.1	178.9	-171.9	66.8	-165.7	149	0	111.5	L429 T436 R437 S442 E443	L429-K439 HydrophobicContact CD1-CG 4.49Å; L429-K439 HydrophobicContact CD2-CB 4.02Å; L429-K439 HydrophobicContact CD2-CG 3.66Å; T436-K439 CarbonylContact O-C 3.58Å; T436-K439 PolarHBondContact O-N 2.59Å; R437-K439 VanDerWaalsContact C-N 3.28Å; R437-K439 PolarHBondContact O-N 2.97Å; K439-S442 WeakPolarHBondContact CA-OG 3.35Å; K439-S442 PolarHBondContact O-N 3.01Å; K439-S442 PolarHBondContact O-OG 3.35Å; K439-E443 WeakPolarHBondContact CE-OE1 3.29Å; K439-E443 IonicContact NZ-OE1 2.75Å; K439-E443 PolarHBondContact NZ-OE1 3.43Å; K439-E443 WeakPolarHBondContact O-CB 3.33Å; K439-E443 VanDerWaalsContact O-CG 3.31Å; K439-E443 WeakPolarHBondContact O-CG 3.49Å; K439-E443 PolarHBondContact O-N 3.11Å
440	L	82.7	Confident	83.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-49.3	175.2	-176	72.5	0	0	0	111.3	F426 L429 L430 Y433 T436 R437 E443 A444 V456 A459	F426-L440 HydrophobicContact CD1-CD1 3.59Å; F426-L440 HydrophobicContact CE1-CD1 3.77Å; L429-L440 HydrophobicContact CB-CB 4.42Å; L429-L440 HydrophobicContact CB-CD1 3.74Å; L429-L440 HydrophobicContact CD1-CD1 4.24Å; L430-L440 HydrophobicContact CD2-CD1 4.28Å; L430-L440 HydrophobicContact CD2-CD2 4.02Å; L430-L440 HydrophobicContact CG-CD1 4.31Å; Y433-L440 HydrophobicContact CD2-CD2 4.28Å; T436-L440 PolarHBondContact O-N 2.84Å; R437-L440 WeakPolarHBondContact O-CB 3.45Å; R437-L440 PolarHBondContact O-N 3.48Å; R437-L440 VanDerWaalsContact O-N 3.13Å; L440-E443 PolarHBondContact O-N 2.85Å; L440-A444 VanDerWaalsContact O-CB 3.3Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 3.46Å; L440-V456 HydrophobicContact CD1-CG2 4.34Å; L440-A459 HydrophobicContact CD2-CB 3.65Å
441	I	79.9	Confident	83.1	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-48.5	177.4	-66.1	171.7	0	0	0	109.8	R437 E438 E443 A444 V445 I460 Y750	R437-I441 HydrophobicContact CG-CD1 3.9Å; R437-I441 HydrophobicContact CG-CG1 4.34Å; R437-I441 WeakPolarHBondContact O-CG1 3.33Å; R437-I441 PolarHBondContact O-N 3.01Å; E438-I441 PolarHBondContact O-N 3.24Å; I441-E443 PolarHBondContact O-N 3.46Å; I441-E443 VanDerWaalsContact O-N 3.16Å; I441-A444 WeakPolarHBondContact O-CB 3.22Å; I441-A444 PolarHBondContact O-N 3.31Å; I441-V445 WeakPolarHBondContact O-CG2 3.06Å; I441-V445 PolarHBondContact O-N 2.96Å; I441-I460 HydrophobicContact CG1-CG1 4.35Å; I441-Y750 HydrophobicContact CG2-CG 4.43Å
442	S	77.6	Confident	83.5	Confident	30 Å²	30	51.7 Å²	51.7	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-34.5	178.9	79.8	0	0	0	0	113	E438 K439 F446	E438-S442 WeakPolarHBondContact O-CB 3.42Å; E438-S442 PolarHBondContact O-N 2.79Å; K439-S442 WeakPolarHBondContact CA-OG 3.35Å; K439-S442 PolarHBondContact O-N 3.01Å; K439-S442 PolarHBondContact O-OG 3.35Å; S442-F446 VanDerWaalsContact O-CD2 3.24Å; S442-F446 WeakPolarHBondContact O-CD2 3.43Å; S442-F446 WeakPolarHBondContact O-CE2 3.34Å
443	E	84.3	Confident	84	Confident	30 Å²	30	51.8 Å²	51.8	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-80.5	-34.1	177.5	-70.8	-64.9	155.7	0	0	112.2	R422 L425 F426 L429 K439 L440 I441 V445 F446	R422-E443 IonicContact CZ-OE2 2.59Å; R422-E443 IonicContact NH1-OE2 3.81Å; R422-E443 PolarHBondContact NH1-OE2 2.91Å; R422-E443 PolarHBondContact NH2-O 3.44Å; L425-E443 HydrophobicContact CD2-CB 4.46Å; L425-E443 HydrophobicContact CD2-CG 3.97Å; L425-E443 WeakPolarHBondContact CD2-OE2 3.43Å; F426-E443 HydrophobicContact CE2-CB 4.36Å; F426-E443 HydrophobicContact CZ-CB 4.15Å; L429-E443 HydrophobicContact CD1-CB 4.16Å; L429-E443 HydrophobicContact CD1-CG 4.01Å; K439-E443 WeakPolarHBondContact CE-OE1 3.29Å; K439-E443 IonicContact NZ-OE1 2.75Å; K439-E443 PolarHBondContact NZ-OE1 3.43Å; K439-E443 WeakPolarHBondContact O-CB 3.33Å; K439-E443 VanDerWaalsContact O-CG 3.31Å; K439-E443 WeakPolarHBondContact O-CG 3.49Å; K439-E443 PolarHBondContact O-N 3.11Å; L440-E443 PolarHBondContact O-N 2.85Å; I441-E443 PolarHBondContact O-N 3.46Å; I441-E443 VanDerWaalsContact O-N 3.16Å; E443-V445 VanDerWaalsContact C-N 3.3Å; E443-V445 PolarHBondContact O-N 3.43Å; E443-F446 PolarHBondContact O-N 3.39Å
444	A	84.5	Confident	84.5	Confident	6 Å²	6	49.1 Å²	49.1	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-28.4	176.6	0	0	0	0	0	113	F426 L440 I441 F446 D447 I448 V456 I460 V671	F426-A444 HydrophobicContact CE1-CB 4.37Å; F426-A444 HydrophobicContact CZ-CB 4.37Å; L440-A444 VanDerWaalsContact O-CB 3.3Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 3.46Å; I441-A444 WeakPolarHBondContact O-CB 3.22Å; I441-A444 PolarHBondContact O-N 3.31Å; A444-F446 PolarHBondContact O-N 2.95Å; A444-D447 PolarHBondContact O-N 3.33Å; A444-I448 HydrophobicContact CB-CD1 4.03Å; A444-I448 HydrophobicContact CB-CG1 3.82Å; A444-V456 HydrophobicContact CB-CG1 4.26Å; A444-I460 HydrophobicContact CB-CD1 4.39Å; A444-V671 HydrophobicContact CB-CG2 3.77Å
445	V	75.3	Confident	85	Confident	90 Å²	90	49.6 Å²	49.6	55%	0.545	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.4	172.3	174.3	0	0	0	0	112.2	I441 E443 V671	I441-V445 WeakPolarHBondContact O-CG2 3.06Å; I441-V445 PolarHBondContact O-N 2.96Å; E443-V445 VanDerWaalsContact C-N 3.3Å; E443-V445 PolarHBondContact O-N 3.43Å; V445-V671 HydrophobicContact CB-CG1 4.07Å; V445-V671 HydrophobicContact CG2-CG1 3.29Å
446	F	78.4	Confident	85.3	Confident	135 Å²	135	41 Å²	41	59%	0.592	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-49.3	179.9	-63.7	-81.1	0	0	0	112.4	S442 E443 A444	S442-F446 VanDerWaalsContact O-CD2 3.24Å; S442-F446 WeakPolarHBondContact O-CD2 3.43Å; S442-F446 WeakPolarHBondContact O-CE2 3.34Å; E443-F446 PolarHBondContact O-N 3.39Å; A444-F446 PolarHBondContact O-N 2.95Å
447	D	84.2	Confident	85.6	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.064	20%	0.204	C	C	.	.			trans	-177.9	163.3	169.7	51.4	39.5	0	0	0	110.2	L409 K412 Y418 R422 A444	L409-D447 HydrophobicContact CD1-CB 3.58Å; K412-D447 WeakPolarHBondContact CE-OD2 3.37Å; K412-D447 IonicContact NZ-OD2 3.87Å; K412-D447 PolarHBondContact NZ-OD2 2.94Å; Y418-D447 WeakPolarHBondContact CE1-OD2 2.91Å; Y418-D447 VanDerWaalsContact OH-CG 3.31Å; Y418-D447 PolarHBondContact OH-OD1 2.79Å; Y418-D447 PolarHBondContact OH-OD2 3.48Å; R422-D447 IonicContact CZ-OD1 2.73Å; R422-D447 IonicContact NE-OD1 2.75Å; R422-D447 PolarHBondContact NE-OD1 3.2Å; R422-D447 PolarHBondContact NH2-O 3.06Å; R422-D447 IonicContact NH2-OD1 2.92Å; R422-D447 PolarHBondContact NH2-OD1 2.94Å; A444-D447 PolarHBondContact O-N 3.33Å
448	I	88.5	Confident	86	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.206	C	C	.	.			trans	-114.4	124.2	176.5	-59.2	177.6	0	0	0	108.8	A444 R453 V456 D667 V671	A444-I448 HydrophobicContact CB-CD1 4.03Å; A444-I448 HydrophobicContact CB-CG1 3.82Å; I448-R453 HydrophobicContact CG2-CB 4.05Å; I448-R453 HydrophobicContact CG2-CG 4.28Å; I448-V456 HydrophobicContact CD1-CG1 3.81Å; I448-V456 HydrophobicContact CG1-CG1 4.23Å; I448-V456 HydrophobicContact CG2-CB 3.98Å; I448-V456 HydrophobicContact CG2-CG1 4.11Å; I448-V456 HydrophobicContact CG2-CG2 4.07Å; I448-D667 HydrophobicContact CD1-CB 4.1Å; I448-V671 HydrophobicContact CD1-CG2 4.28Å
449	P	90.9	Very high	86.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.185	C	C	.	.			trans	-66.4	130.4	177.8	25.2	-31.8	0	0	0	110.4	R422 F426 I451 Y452 R453	R422-P449 HydrophobicContact CB-CB 4.12Å; R422-P449 HydrophobicContact CB-CG 4.3Å; F426-P449 HydrophobicContact CB-CG 3.92Å; F426-P449 HydrophobicContact CD1-CG 4.4Å; F426-P449 HydrophobicContact CD2-CG 3.48Å; F426-P449 VanDerWaalsContact CD2-CG 3.48Å; F426-P449 HydrophobicContact CE2-CG 4.04Å; F426-P449 HydrophobicContact CG-CG 3.66Å; P449-I451 VanDerWaalsContact C-N 3.26Å; P449-I451 PolarHBondContact O-N 3.16Å; P449-I451 VanDerWaalsContact O-N 3.07Å; P449-Y452 HydrophobicContact CG-CD2 4.38Å; P449-Y452 PolarHBondContact O-N 3.06Å; P449-R453 PolarHBondContact O-N 2.99Å
450	P	89.7	Confident	86.3	Confident	48 Å²	48	31.2 Å²	31.2	31%	0.312	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-52.2	-38.7	-172.4	-31.6	36.4	0	0	0	114.9	E413 Y452 R453	E413-P450 HydrophobicContact CB-CG 4.46Å; E413-P450 HydrophobicContact CG-CG 3.93Å; E413-P450 WeakPolarHBondContact OE1-CG 3.35Å; P450-Y452 VanDerWaalsContact C-N 3.26Å; P450-Y452 PolarHBondContact O-N 3.02Å; P450-R453 WeakPolarHBondContact O-CB 3.34Å; P450-R453 PolarHBondContact O-N 3.01Å
451	I	85.5	Confident	86.3	Confident	125 Å²	125	31.5 Å²	31.5	64%	0.641	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-64.6	-26.3	-177.9	-165.5	168.6	0	0	0	113.8	T423 P449	T423-I451 HydrophobicContact CG2-CG2 3.86Å; P449-I451 VanDerWaalsContact C-N 3.26Å; P449-I451 PolarHBondContact O-N 3.16Å; P449-I451 VanDerWaalsContact O-N 3.07Å
452	Y	90.6	Very high	86.4	Confident	42 Å²	42	33.3 Å²	33.3	17%	0.165	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-107.4	-0.9	178.5	-70.9	-57.5	0	0	0	113.4	T423 F426 R427 L430 P449 P450 G454 L455 V456	T423-Y452 HydrophobicContact CG2-CD2 4.11Å; T423-Y452 HydrophobicContact CG2-CE2 3.37Å; T423-Y452 WeakPolarHBondContact O-CE2 3.34Å; F426-Y452 HydrophobicContact CB-CD2 3.82Å; F426-Y452 HydrophobicContact CB-CG 4.32Å; R427-Y452 HydrophobicContact CB-CE2 3.8Å; R427-Y452 WeakPolarHBondContact CB-OH 3.07Å; R427-Y452 WeakPolarHBondContact CD-OH 3.44Å; R427-Y452 WeakPolarHBondContact CG-OH 3.49Å; L430-Y452 HydrophobicContact CD1-CD1 3.84Å; L430-Y452 HydrophobicContact CD1-CG 4.01Å; P449-Y452 HydrophobicContact CG-CD2 4.38Å; P449-Y452 PolarHBondContact O-N 3.06Å; P450-Y452 VanDerWaalsContact C-N 3.26Å; P450-Y452 PolarHBondContact O-N 3.02Å; Y452-G454 PolarHBondContact O-N 3.43Å; Y452-L455 HydrophobicContact CD1-CD1 4.27Å; Y452-L455 PolarHBondContact O-N 3.42Å; Y452-V456 WeakPolarHBondContact O-CG2 3.22Å; Y452-V456 PolarHBondContact O-N 2.96Å
453	R	94.3	Very high	86.7	Confident	11 Å²	11	33 Å²	33	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-49.3	-51.6	-173.6	-178.8	176.9	-73.7	124.4	-0.3	113.3	E413 I448 P449 P450 L455 V456 W457 L539 D667	E413-R453 IonicContact OE1-CZ 3.65Å; E413-R453 IonicContact OE1-NH2 2.77Å; E413-R453 PolarHBondContact OE1-NH2 3.36Å; I448-R453 HydrophobicContact CG2-CB 4.05Å; I448-R453 HydrophobicContact CG2-CG 4.28Å; P449-R453 PolarHBondContact O-N 2.99Å; P450-R453 WeakPolarHBondContact O-CB 3.34Å; P450-R453 PolarHBondContact O-N 3.01Å; R453-L455 PolarHBondContact O-N 3.34Å; R453-V456 PolarHBondContact O-N 3.29Å; R453-W457 HydrophobicContact CG-CD2 4.07Å; R453-W457 HydrophobicContact CG-CG 4.34Å; R453-W457 HydrophobicContact CG-CZ2 3.95Å; R453-W457 PolarHBondContact O-N 3.21Å; R453-L539 HydrophobicContact CB-CD2 4.22Å; R453-L539 HydrophobicContact CG-CD1 3.99Å; R453-L539 HydrophobicContact CG-CD2 4.31Å; R453-D667 WeakPolarHBondContact CD-OD1 3.4Å; R453-D667 IonicContact CZ-OD2 3.98Å; R453-D667 IonicContact NE-OD1 3.83Å; R453-D667 PolarHBondContact NE-OD1 2.93Å; R453-D667 VanDerWaalsContact NE-OD1 3.13Å; R453-D667 IonicContact NE-OD2 3.65Å; R453-D667 PolarHBondContact NE-OD2 3.29Å; R453-D667 VanDerWaalsContact NE-OD2 3.12Å; R453-D667 IonicContact NH2-OD2 3.76Å; R453-D667 PolarHBondContact NH2-OD2 2.87Å; R453-D667 VanDerWaalsContact NH2-OD2 3.07Å
454	G	92.5	Very high	86.5	Confident	5 Å²	5	34.3 Å²	34.3	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-56	-48.2	178.2	0	0	0	0	0	112.8	Y452 V456 W457 A458 H540	Y452-G454 PolarHBondContact O-N 3.43Å; G454-V456 VanDerWaalsContact C-N 3.33Å; G454-V456 PolarHBondContact O-N 3.43Å; G454-W457 PolarHBondContact O-N 3.05Å; G454-A458 WeakPolarHBondContact O-CB 3.23Å; G454-A458 PolarHBondContact O-N 3.01Å; G454-H540 VanDerWaalsContact CA-CE1 3.47Å; G454-H540 WeakPolarHBondContact CA-CE1 3.18Å; G454-H540 PolarHBondContact O-CE1 3.48Å; G454-H540 PolarHBondContact O-NE2 2.93Å; G454-H540 VanDerWaalsContact O-NE2 3.09Å
455	L	93.9	Very high	86.5	Confident	84 Å²	84	44.3 Å²	44.3	44%	0.44	22%	0.222	S	C	.	.	H	α-helix	trans	-67.1	-34.8	-179.9	-64.8	-178.8	0	0	0	112.5	L430 Y452 R453 A459 L546	L430-L455 HydrophobicContact CD1-CB 3.8Å; L430-L455 HydrophobicContact CD1-CD1 4.34Å; L430-L455 HydrophobicContact CD2-CB 4.24Å; Y452-L455 HydrophobicContact CD1-CD1 4.27Å; Y452-L455 PolarHBondContact O-N 3.42Å; R453-L455 PolarHBondContact O-N 3.34Å; L455-A459 WeakPolarHBondContact O-CB 3.2Å; L455-A459 PolarHBondContact O-N 2.77Å; L455-L546 HydrophobicContact CD2-CD2 4.12Å
456	V	90.1	Very high	87.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-45	175.2	177.3	0	0	0	0	110.7	F426 L430 L440 A444 I448 Y452 R453 G454 A458 A459 I460	F426-V456 HydrophobicContact CD1-CG2 3.39Å; F426-V456 HydrophobicContact CE1-CG1 4.11Å; F426-V456 HydrophobicContact CE1-CG2 3.68Å; F426-V456 HydrophobicContact CG-CG2 4.5Å; L430-V456 HydrophobicContact CD1-CG2 4.16Å; L430-V456 HydrophobicContact CD2-CG2 4.4Å; L440-V456 HydrophobicContact CD1-CG2 4.34Å; A444-V456 HydrophobicContact CB-CG1 4.26Å; I448-V456 HydrophobicContact CD1-CG1 3.81Å; I448-V456 HydrophobicContact CG1-CG1 4.23Å; I448-V456 HydrophobicContact CG2-CB 3.98Å; I448-V456 HydrophobicContact CG2-CG1 4.11Å; I448-V456 HydrophobicContact CG2-CG2 4.07Å; Y452-V456 WeakPolarHBondContact O-CG2 3.22Å; Y452-V456 PolarHBondContact O-N 2.96Å; R453-V456 PolarHBondContact O-N 3.29Å; G454-V456 VanDerWaalsContact C-N 3.33Å; G454-V456 PolarHBondContact O-N 3.43Å; V456-A458 PolarHBondContact O-N 3.44Å; V456-A459 PolarHBondContact O-N 2.95Å; V456-I460 HydrophobicContact CG1-CD1 3.8Å; V456-I460 HydrophobicContact CG1-CG1 4.38Å; V456-I460 VanDerWaalsContact O-CG1 3.32Å; V456-I460 WeakPolarHBondContact O-CG1 3.05Å; V456-I460 PolarHBondContact O-N 3.3Å
457	W	91.7	Very high	87.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-46.1	175.6	-71.8	8.4	0	0	0	111.7	R453 G454 A459 I460 L461 P535 F536 L539 F663 W666 D667 L670	R453-W457 HydrophobicContact CG-CD2 4.07Å; R453-W457 HydrophobicContact CG-CG 4.34Å; R453-W457 HydrophobicContact CG-CZ2 3.95Å; R453-W457 PolarHBondContact O-N 3.21Å; G454-W457 PolarHBondContact O-N 3.05Å; W457-A459 VanDerWaalsContact C-N 3.27Å; W457-A459 PolarHBondContact O-N 3.27Å; W457-I460 PolarHBondContact O-N 3.43Å; W457-L461 VanDerWaalsContact O-CB 3.31Å; W457-L461 WeakPolarHBondContact O-CB 3.23Å; W457-L461 WeakPolarHBondContact O-CG 3.2Å; W457-L461 PolarHBondContact O-N 2.71Å; W457-P535 HydrophobicContact CH2-CB 4.49Å; W457-P535 HydrophobicContact CZ3-CB 4.02Å; W457-F536 HydrophobicContact CE3-CD1 4.2Å; W457-F536 AromaticContact CE3-CE1 3.89Å; W457-F536 HydrophobicContact CE3-CE1 3.89Å; W457-F536 HydrophobicContact CZ3-CD1 4.49Å; W457-F536 HydrophobicContact CZ3-CE1 4.25Å; W457-L539 HydrophobicContact CD2-CD1 3.98Å; W457-L539 HydrophobicContact CE3-CD1 3.39Å; W457-L539 HydrophobicContact CH2-CD1 3.96Å; W457-L539 HydrophobicContact CZ2-CD1 4.45Å; W457-L539 HydrophobicContact CZ3-CD1 3.37Å; W457-F663 AromaticContact CH2-CD1 3.71Å; W457-F663 HydrophobicContact CH2-CD1 3.71Å; W457-F663 HydrophobicContact CH2-CE1 4.48Å; W457-F663 HydrophobicContact CZ2-CB 4.49Å; W457-F663 HydrophobicContact CZ2-CD1 4.37Å; W457-F663 HydrophobicContact CZ3-CD1 4.39Å; W457-W666 HydrophobicContact CE3-CE3 4.29Å; W457-W666 HydrophobicContact CH2-CB 3.38Å; W457-W666 HydrophobicContact CH2-CD2 4.12Å; W457-W666 AromaticContact CH2-CE3 3.63Å; W457-W666 HydrophobicContact CH2-CE3 3.63Å; W457-W666 HydrophobicContact CH2-CG 4.1Å; W457-W666 HydrophobicContact CZ2-CB 3.45Å; W457-W666 VanDerWaalsContact CZ2-CB 3.45Å; W457-W666 HydrophobicContact CZ3-CB 4.28Å; W457-W666 HydrophobicContact CZ3-CD2 4.36Å; W457-W666 AromaticContact CZ3-CE3 3.43Å; W457-W666 HydrophobicContact CZ3-CE3 3.43Å; W457-W666 VanDerWaalsContact CZ3-CE3 3.43Å; W457-W666 HydrophobicContact CZ3-CZ3 4.13Å; W457-D667 WeakPolarHBondContact CZ2-OD1 3.4Å; W457-D667 PolarHBondContact NE1-OD1 3.29Å; W457-L670 HydrophobicContact CB-CD1 3.79Å; W457-L670 HydrophobicContact CD2-CD1 3.44Å; W457-L670 VanDerWaalsContact CD2-CD1 3.44Å; W457-L670 HydrophobicContact CE3-CD1 4.04Å; W457-L670 HydrophobicContact CG-CD1 3.33Å; W457-L670 HydrophobicContact CZ2-CD1 4.46Å
458	A	89.6	Confident	88	Confident	8 Å²	8	39.7 Å²	39.7	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-36.8	175.7	0	0	0	0	0	112.7	G454 V456 D462 I463 L546	G454-A458 WeakPolarHBondContact O-CB 3.23Å; G454-A458 PolarHBondContact O-N 3.01Å; V456-A458 PolarHBondContact O-N 3.44Å; A458-D462 PolarHBondContact O-N 3.18Å; A458-D462 VanDerWaalsContact O-N 3.16Å; A458-I463 HydrophobicContact CB-CG1 4.1Å; A458-I463 WeakPolarHBondContact O-CG1 3.29Å; A458-I463 PolarHBondContact O-N 3.14Å; A458-I463 VanDerWaalsContact O-N 3.11Å; A458-L546 HydrophobicContact CB-CD1 3.85Å; A458-L546 HydrophobicContact CB-CD2 4.27Å; A458-L546 HydrophobicContact CB-CG 4.17Å
459	A	87.5	Confident	88.2	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-71.7	-36.4	175.5	0	0	0	0	0	112.9	L430 Y433 L440 L455 V456 W457 D462	L430-A459 HydrophobicContact CD2-CB 4.23Å; Y433-A459 HydrophobicContact CD2-CB 3.92Å; Y433-A459 HydrophobicContact CE2-CB 3.69Å; Y433-A459 HydrophobicContact CG-CB 4.46Å; Y433-A459 PolarHBondContact OH-O 3.06Å; L440-A459 HydrophobicContact CD2-CB 3.65Å; L455-A459 WeakPolarHBondContact O-CB 3.2Å; L455-A459 PolarHBondContact O-N 2.77Å; V456-A459 PolarHBondContact O-N 2.95Å; W457-A459 VanDerWaalsContact C-N 3.27Å; W457-A459 PolarHBondContact O-N 3.27Å; A459-D462 PolarHBondContact O-N 3.48Å
460	I	80.9	Confident	88.2	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-46.1	176.2	-69.1	168	0	0	0	110.4	R437 I441 A444 V456 W457 D462 L670 V671	R437-I460 PolarHBondContact NH2-O 3.34Å; R437-I460 VanDerWaalsContact NH2-O 3.09Å; I441-I460 HydrophobicContact CG1-CG1 4.35Å; A444-I460 HydrophobicContact CB-CD1 4.39Å; V456-I460 HydrophobicContact CG1-CD1 3.8Å; V456-I460 HydrophobicContact CG1-CG1 4.38Å; V456-I460 VanDerWaalsContact O-CG1 3.32Å; V456-I460 WeakPolarHBondContact O-CG1 3.05Å; V456-I460 PolarHBondContact O-N 3.3Å; W457-I460 PolarHBondContact O-N 3.43Å; I460-D462 PolarHBondContact O-N 2.85Å; I460-L670 HydrophobicContact CG2-CB 4.16Å; I460-L670 WeakPolarHBondContact CG2-O 3.48Å; I460-V671 HydrophobicContact CD1-CG2 3.74Å
461	L	83.6	Confident	88.4	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.2	175.7	-70	170.7	0	0	0	113.6	W457 I463 F536 C550 A553 L670	W457-L461 VanDerWaalsContact O-CB 3.31Å; W457-L461 WeakPolarHBondContact O-CB 3.23Å; W457-L461 WeakPolarHBondContact O-CG 3.2Å; W457-L461 PolarHBondContact O-N 2.71Å; L461-I463 HydrophobicContact CB-CD1 3.75Å; L461-I463 HydrophobicContact CB-CG1 4.31Å; L461-I463 PolarHBondContact O-N 2.82Å; L461-F536 HydrophobicContact CD1-CE1 4.1Å; L461-F536 HydrophobicContact CD1-CZ 4.38Å; L461-C550 HydrophobicContact CD1-CB 3.95Å; L461-A553 HydrophobicContact CB-CB 4.06Å; L461-A553 HydrophobicContact CD2-CB 4.26Å; L461-L670 HydrophobicContact CD1-CD2 4.29Å; L461-L670 HydrophobicContact CD2-CD2 3.62Å; L461-L670 HydrophobicContact CG-CD2 3.95Å
462	D	81.1	Confident	88.9	Confident	52 Å²	52	42.3 Å²	42.3	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	52.8	178.7	-162.5	34.6	0	0	0	113.7	Y433 A458 A459 I460 W746	Y433-D462 PolarHBondContact OH-OD1 3.38Å; A458-D462 PolarHBondContact O-N 3.18Å; A458-D462 VanDerWaalsContact O-N 3.16Å; A459-D462 PolarHBondContact O-N 3.48Å; I460-D462 PolarHBondContact O-N 2.85Å; D462-W746 PolarHBondContact OD2-NE1 3.42Å
463	I	84	Confident	89	Confident	22 Å²	22	46 Å²	46	11%	0.113	25%	0.247	C	C	.	.			trans	-63.9	131.3	-178.5	-55.4	-46.2	0	0	0	110.3	A458 L461 I467 L546 G549 A553	A458-I463 HydrophobicContact CB-CG1 4.1Å; A458-I463 WeakPolarHBondContact O-CG1 3.29Å; A458-I463 PolarHBondContact O-N 3.14Å; A458-I463 VanDerWaalsContact O-N 3.11Å; L461-I463 HydrophobicContact CB-CD1 3.75Å; L461-I463 HydrophobicContact CB-CG1 4.31Å; L461-I463 PolarHBondContact O-N 2.82Å; I463-I467 HydrophobicContact CG2-CB 3.87Å; I463-I467 HydrophobicContact CG2-CD1 4.43Å; I463-I467 HydrophobicContact CG2-CG1 3.89Å; I463-I467 HydrophobicContact CG2-CG2 3.93Å; I463-L546 HydrophobicContact CB-CD1 4.13Å; I463-L546 HydrophobicContact CG1-CD1 4.32Å; I463-L546 HydrophobicContact CG2-CD1 3.86Å; I463-G549 VanDerWaalsContact CD1-C 3.46Å; I463-G549 WeakPolarHBondContact CD1-O 3.37Å; I463-A553 HydrophobicContact CD1-CB 3.51Å
464	P	80.8	Confident	89	Confident	58 Å²	58	46.2 Å²	46.2	38%	0.377	25%	0.25	S	C	.	.			trans	-64.7	144.5	-175.8	26.1	-36.4	0	0	0	112.1	N466 I467 I470	P464-N466 WeakPolarHBondContact CB-OD1 3.1Å; P464-N466 PolarHBondContact O-N 3.26Å; P464-N466 VanDerWaalsContact O-N 3.16Å; P464-I467 HydrophobicContact CG-CB 4.34Å; P464-I467 HydrophobicContact CG-CD1 4.33Å; P464-I467 VanDerWaalsContact O-CB 3.3Å; P464-I467 WeakPolarHBondContact O-CB 3.45Å; P464-I467 WeakPolarHBondContact O-CG2 3.29Å; P464-I467 PolarHBondContact O-N 3.18Å; P464-I470 HydrophobicContact CG-CD1 4.37Å
465	Y	83.8	Confident	88.9	Confident	216 Å²	216	49.9 Å²	49.9	85%	0.847	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.3	-177.4	71.6	-89.4	0	0	0	113.5	I467	Y465-I467 VanDerWaalsContact C-N 3.35Å
466	N	86.7	Confident	88.9	Confident	52 Å²	52	48.3 Å²	48.3	28%	0.278	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	15.7	179.2	70.4	-22.5	0	0	0	113.2	P464 T468 D469 I470	P464-N466 WeakPolarHBondContact CB-OD1 3.1Å; P464-N466 PolarHBondContact O-N 3.26Å; P464-N466 VanDerWaalsContact O-N 3.16Å; N466-T468 PolarHBondContact O-N 2.91Å; N466-T468 VanDerWaalsContact O-N 3.09Å; N466-D469 WeakPolarHBondContact O-CB 3.14Å; N466-D469 PolarHBondContact O-N 3.38Å; N466-I470 PolarHBondContact O-N 2.8Å; N466-I470 VanDerWaalsContact O-N 3.11Å
467	I	89.9	Confident	88.9	Confident	16 Å²	16	52.3 Å²	52.3	8%	0.082	29%	0.291	C	S	.	.	H	α-helix	trans	-55.8	-29.7	179.8	-168.1	61.8	0	0	0	113.1	I463 P464 Y465 I470 Y471 C545 F548	I463-I467 HydrophobicContact CG2-CB 3.87Å; I463-I467 HydrophobicContact CG2-CD1 4.43Å; I463-I467 HydrophobicContact CG2-CG1 3.89Å; I463-I467 HydrophobicContact CG2-CG2 3.93Å; P464-I467 HydrophobicContact CG-CB 4.34Å; P464-I467 HydrophobicContact CG-CD1 4.33Å; P464-I467 VanDerWaalsContact O-CB 3.3Å; P464-I467 WeakPolarHBondContact O-CB 3.45Å; P464-I467 WeakPolarHBondContact O-CG2 3.29Å; P464-I467 PolarHBondContact O-N 3.18Å; Y465-I467 VanDerWaalsContact C-N 3.35Å; I467-I470 HydrophobicContact CD1-CB 4.47Å; I467-I470 HydrophobicContact CD1-CD1 4.46Å; I467-I470 PolarHBondContact O-N 3.33Å; I467-Y471 WeakPolarHBondContact O-CB 3.31Å; I467-Y471 PolarHBondContact O-N 2.74Å; I467-C545 VanDerWaalsContact CG1-O 3.3Å; I467-C545 WeakPolarHBondContact CG1-O 3.48Å; I467-F548 HydrophobicContact CD1-CD1 3.87Å; I467-F548 HydrophobicContact CD1-CE1 3.91Å; I467-F548 HydrophobicContact CG1-CD1 4.4Å
468	T	92.6	Very high	88.8	Confident	73 Å²	73	56.7 Å²	56.7	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-44.5	174.4	-56.9	0	0	0	0	111.5	N466 Y471 S472	N466-T468 PolarHBondContact O-N 2.91Å; N466-T468 VanDerWaalsContact O-N 3.09Å; T468-Y471 PolarHBondContact O-N 2.98Å; T468-S472 VanDerWaalsContact O-CB 3.28Å; T468-S472 WeakPolarHBondContact O-CB 3.44Å; T468-S472 PolarHBondContact O-N 3.15Å; T468-S472 PolarHBondContact O-OG 2.8Å
469	D	92.5	Very high	88.8	Confident	104 Å²	104	65 Å²	65	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-44.7	178.9	-57.2	-34.6	0	0	0	109.8	N466 Y471 S472 V473	N466-D469 WeakPolarHBondContact O-CB 3.14Å; N466-D469 PolarHBondContact O-N 3.38Å; D469-Y471 PolarHBondContact O-N 2.92Å; D469-S472 PolarHBondContact O-N 3.26Å; D469-S472 PolarHBondContact O-OG 3Å; D469-V473 PolarHBondContact O-N 3.04Å
470	I	90.6	Very high	88.7	Confident	40 Å²	40	66.8 Å²	66.8	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-51.6	176.4	-61.4	172.9	0	0	0	110.6	P464 N466 I467 S472 V473 V474 F519 F548	P464-I470 HydrophobicContact CG-CD1 4.37Å; N466-I470 PolarHBondContact O-N 2.8Å; N466-I470 VanDerWaalsContact O-N 3.11Å; I467-I470 HydrophobicContact CD1-CB 4.47Å; I467-I470 HydrophobicContact CD1-CD1 4.46Å; I467-I470 PolarHBondContact O-N 3.33Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 3.27Å; I470-V473 WeakPolarHBondContact O-CG2 3.19Å; I470-V474 WeakPolarHBondContact O-CG2 3.19Å; I470-F519 HydrophobicContact CG2-CD2 4.13Å; I470-F519 HydrophobicContact CG2-CE2 3.47Å; I470-F519 VanDerWaalsContact CG2-CE2 3.47Å; I470-F519 HydrophobicContact CG2-CZ 3.9Å; I470-F548 HydrophobicContact CG2-CE1 4.21Å
471	Y	95.2	Very high	88.8	Confident	13 Å²	13	71.5 Å²	71.5	5%	0.051	41%	0.41	C	S	.	.	H	α-helix	trans	-66.5	-32.5	-178.7	-177.1	-102	0	0	0	112.9	I467 T468 D469 V473 K476 A515 E544 C545 F548	I467-Y471 WeakPolarHBondContact O-CB 3.31Å; I467-Y471 PolarHBondContact O-N 2.74Å; T468-Y471 PolarHBondContact O-N 2.98Å; D469-Y471 PolarHBondContact O-N 2.92Å; Y471-V473 PolarHBondContact O-N 2.98Å; Y471-K476 HydrophobicContact CE1-CD 3.97Å; Y471-K476 HydrophobicContact CE2-CD 4.09Å; Y471-K476 PolarHBondContact O-NZ 2.99Å; Y471-K476 WeakPolarHBondContact OH-CD 3.42Å; Y471-A515 HydrophobicContact CD2-CB 3.99Å; Y471-A515 HydrophobicContact CE2-CB 3.54Å; Y471-E544 HydrophobicContact CE1-CB 4.08Å; Y471-E544 PolarHBondContact OH-OE2 2.72Å; Y471-C545 HydrophobicContact CD1-CB 4.14Å; Y471-C545 WeakPolarHBondContact CD1-SG 3.48Å; Y471-C545 HydrophobicContact CG-CB 4.14Å; Y471-F548 HydrophobicContact CD2-CB 3.61Å; Y471-F548 AromaticContact CD2-CD1 3.71Å; Y471-F548 HydrophobicContact CD2-CD1 3.71Å; Y471-F548 AromaticContact CD2-CD2 3.95Å; Y471-F548 HydrophobicContact CD2-CD2 3.95Å; Y471-F548 HydrophobicContact CD2-CE1 4.38Å; Y471-F548 AromaticContact CD2-CG 3.48Å; Y471-F548 HydrophobicContact CD2-CG 3.48Å; Y471-F548 VanDerWaalsContact CD2-CG 3.48Å; Y471-F548 HydrophobicContact CE2-CB 3.81Å; Y471-F548 HydrophobicContact CE2-CD2 4.22Å; Y471-F548 AromaticContact CE2-CG 3.99Å; Y471-F548 HydrophobicContact CE2-CG 3.99Å; Y471-F548 HydrophobicContact CG-CD1 4.4Å
472	S	94.2	Very high	88.9	Confident	74 Å²	74	72.8 Å²	72.8	52%	0.517	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-38.4	-176.9	74	0	0	0	0	112.7	T468 D469 I470	T468-S472 VanDerWaalsContact O-CB 3.28Å; T468-S472 WeakPolarHBondContact O-CB 3.44Å; T468-S472 PolarHBondContact O-N 3.15Å; T468-S472 PolarHBondContact O-OG 2.8Å; D469-S472 PolarHBondContact O-N 3.26Å; D469-S472 PolarHBondContact O-OG 3Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 3.27Å
473	V	94.2	Very high	89.2	Confident	118 Å²	118	70.7 Å²	70.7	72%	0.715	41%	0.407	S	S	*	.	H	α-helix	trans	-80.4	-18.9	-176.3	-64	0	0	0	0	114	D469 I470 Y471	D469-V473 PolarHBondContact O-N 3.04Å; I470-V473 WeakPolarHBondContact O-CG2 3.19Å; Y471-V473 PolarHBondContact O-N 2.98Å
474	V	93.2	Very high	89.3	Confident	17 Å²	17	79.7 Å²	79.7	10%	0.103	44%	0.44	C	S	.	.	S	Bend	trans	-72.5	133.5	-178.7	178.8	0	0	0	0	110.8	I470 K476 A515 A518 F519	I470-V474 WeakPolarHBondContact O-CG2 3.19Å; V474-K476 PolarHBondContact O-N 3.16Å; V474-K476 PolarHBondContact O-NZ 3.32Å; V474-A515 HydrophobicContact CB-CB 4.41Å; V474-A515 HydrophobicContact CG1-CB 3.88Å; V474-A515 WeakPolarHBondContact CG1-O 3.41Å; V474-A518 HydrophobicContact CG1-CB 3.74Å; V474-F519 HydrophobicContact CG2-CB 4.31Å; V474-F519 HydrophobicContact CG2-CD2 3.85Å
475	D	91.7	Very high	89.5	Confident	81 Å²	81	80.4 Å²	80.4	43%	0.433	44%	0.438	S	S	.	.			trans	-68	129	176.1	-174.5	8.2	0	0	0	111.6	A477 T478	D475-A477 PolarHBondContact OD1-N 2.9Å; D475-T478 PolarHBondContact OD1-N 3.13Å; D475-T478 WeakPolarHBondContact OD2-CB 3.42Å; D475-T478 PolarHBondContact OD2-OG1 3.35Å
476	K	93.1	Very high	89.6	Confident	51 Å²	51	70.1 Å²	70.1	22%	0.222	40%	0.397	C	S	.	.			trans	-122.3	-5.9	-179.8	-67.2	169.8	-73.3	-70.5	0	111.9	Y471 V474 R511 K514 A515	Y471-K476 HydrophobicContact CE1-CD 3.97Å; Y471-K476 HydrophobicContact CE2-CD 4.09Å; Y471-K476 PolarHBondContact O-NZ 2.99Å; Y471-K476 WeakPolarHBondContact OH-CD 3.42Å; V474-K476 PolarHBondContact O-N 3.16Å; V474-K476 PolarHBondContact O-NZ 3.32Å; K476-R511 HydrophobicContact CB-CG 4.48Å; K476-R511 HydrophobicContact CD-CB 4.24Å; K476-K514 WeakPolarHBondContact O-CE 3.07Å; K476-A515 HydrophobicContact CD-CB 4.21Å; K476-A515 HydrophobicContact CG-CB 3.92Å
477	A	89.4	Confident	89.7	Confident	84 Å²	84	72.5 Å²	72.5	69%	0.694	41%	0.407	S	S	*	.	S	Bend	trans	-102.6	-48.1	-167.9	0	0	0	0	0	112.1	D475 E479 K514	D475-A477 PolarHBondContact OD1-N 2.9Å; A477-E479 PolarHBondContact O-N 3.42Å; A477-K514 PolarHBondContact O-NZ 2.99Å
478	T	90.7	Very high	89.5	Confident	93 Å²	93	75.7 Å²	75.7	57%	0.571	43%	0.427	S	S	*	.	S	Bend	trans	-54.9	129.5	-175.2	-58.6	0	0	0	0	111.4	D475 A480 K514	D475-T478 PolarHBondContact OD1-N 3.13Å; D475-T478 WeakPolarHBondContact OD2-CB 3.42Å; D475-T478 PolarHBondContact OD2-OG1 3.35Å; T478-A480 PolarHBondContact O-N 2.95Å; T478-K514 WeakPolarHBondContact O-CE 3.4Å; T478-K514 PolarHBondContact O-NZ 3.45Å
479	E	88.9	Confident	89	Confident	181 Å²	181	72.5 Å²	72.5	85%	0.846	41%	0.407	S	S	*	.			trans	-62.1	129.3	179.2	-70.5	-171.7	171.7	0	0	111	A477 D483	A477-E479 PolarHBondContact O-N 3.42Å; E479-D483 WeakPolarHBondContact CA-OD2 3.34Å
480	A	85.3	Confident	88.9	Confident	45 Å²	45	67.7 Å²	67.7	37%	0.372	38%	0.381	S	S	.	.			trans	-113.9	155.3	177.5	0	0	0	0	0	110.9	T478 T482 D483	T478-A480 PolarHBondContact O-N 2.95Å; A480-T482 PolarHBondContact O-N 2.92Å; A480-T482 VanDerWaalsContact O-N 3.14Å; A480-D483 PolarHBondContact N-OD2 2.92Å; A480-D483 VanDerWaalsContact N-OD2 3.12Å; A480-D483 VanDerWaalsContact O-CB 3.29Å; A480-D483 WeakPolarHBondContact O-CB 3.27Å; A480-D483 PolarHBondContact O-N 2.79Å
481	A	83.6	Confident	88.6	Confident	105 Å²	105	67.1 Å²	67.1	87%	0.868	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.3	-179.2	0	0	0	0	0	113.4
482	T	84.8	Confident	88	Confident	33 Å²	33	69.9 Å²	69.9	20%	0.202	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.3	178.9	54.6	0	0	0	0	113.8	A480 R484 Q485 I486	A480-T482 PolarHBondContact O-N 2.92Å; A480-T482 VanDerWaalsContact O-N 3.14Å; T482-R484 VanDerWaalsContact C-N 3.27Å; T482-R484 PolarHBondContact O-N 3.35Å; T482-Q485 WeakPolarHBondContact O-CB 3.47Å; T482-Q485 PolarHBondContact O-N 2.92Å; T482-I486 WeakPolarHBondContact O-CG1 3.33Å; T482-I486 PolarHBondContact O-N 3.32Å
483	D	87.9	Confident	87.5	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.043	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-38.3	-177.1	-80.4	-4.2	0	0	0	112	E479 A480 Q485 I486 E487 K514	E479-D483 WeakPolarHBondContact CA-OD2 3.34Å; A480-D483 PolarHBondContact N-OD2 2.92Å; A480-D483 VanDerWaalsContact N-OD2 3.12Å; A480-D483 VanDerWaalsContact O-CB 3.29Å; A480-D483 WeakPolarHBondContact O-CB 3.27Å; A480-D483 PolarHBondContact O-N 2.79Å; D483-Q485 VanDerWaalsContact C-N 3.28Å; D483-Q485 PolarHBondContact O-N 3.05Å; D483-I486 PolarHBondContact O-N 2.89Å; D483-E487 WeakPolarHBondContact O-CB 3.31Å; D483-E487 VanDerWaalsContact O-CG 3.3Å; D483-E487 WeakPolarHBondContact O-CG 3.45Å; D483-E487 PolarHBondContact O-N 3.13Å; D483-K514 VanDerWaalsContact OD1-CD 3.28Å; D483-K514 WeakPolarHBondContact OD1-CD 3.29Å; D483-K514 WeakPolarHBondContact OD1-CE 3.31Å; D483-K514 IonicContact OD1-NZ 3.72Å; D483-K514 PolarHBondContact OD1-NZ 2.91Å; D483-K514 IonicContact OD2-NZ 3.73Å; D483-K514 PolarHBondContact OD2-NZ 2.89Å
484	R	87	Confident	87	Confident	212 Å²	212	61.6 Å²	61.6	80%	0.8	34%	0.336	S	S	*	.	H	α-helix	trans	-61.4	-38.4	176.5	-69.5	-177.2	-179.1	172.2	1.3	111.9	T482 V488	T482-R484 VanDerWaalsContact C-N 3.27Å; T482-R484 PolarHBondContact O-N 3.35Å; R484-V488 VanDerWaalsContact O-CG2 3.27Å; R484-V488 WeakPolarHBondContact O-CG2 3.47Å; R484-V488 PolarHBondContact O-N 2.71Å
485	Q	83.7	Confident	86.6	Confident	73 Å²	73	65.7 Å²	65.7	34%	0.341	36%	0.355	S	S	.	.	H	α-helix	trans	-71.7	-46	178.7	-168.1	176.3	-10	0	0	110.6	T482 D483 E487 V488 D489 Y525	T482-Q485 WeakPolarHBondContact O-CB 3.47Å; T482-Q485 PolarHBondContact O-N 2.92Å; D483-Q485 VanDerWaalsContact C-N 3.28Å; D483-Q485 PolarHBondContact O-N 3.05Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 PolarHBondContact O-N 3.15Å; Q485-V488 PolarHBondContact O-N 2.87Å; Q485-D489 WeakPolarHBondContact O-CB 3.35Å; Q485-D489 VanDerWaalsContact O-CG 3.31Å; Q485-D489 PolarHBondContact O-N 3.09Å; Q485-Y525 HydrophobicContact CB-CD1 4.45Å; Q485-Y525 HydrophobicContact CB-CE1 4.35Å; Q485-Y525 HydrophobicContact CG-CD1 4.32Å; Q485-Y525 HydrophobicContact CG-CE1 3.95Å
486	I	87.6	Confident	86.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-55.3	-43.1	175.8	-67.3	167.4	0	0	0	111.4	T482 D483 V488 D489 I490 K510 I513 K514 Y525	T482-I486 WeakPolarHBondContact O-CG1 3.33Å; T482-I486 PolarHBondContact O-N 3.32Å; D483-I486 PolarHBondContact O-N 2.89Å; I486-V488 VanDerWaalsContact C-N 3.27Å; I486-V488 PolarHBondContact O-N 2.93Å; I486-D489 PolarHBondContact O-N 2.88Å; I486-I490 HydrophobicContact CG2-CD1 3.31Å; I486-I490 HydrophobicContact CG2-CG1 4.05Å; I486-I490 WeakPolarHBondContact O-CB 3.33Å; I486-I490 WeakPolarHBondContact O-CD1 3.06Å; I486-I490 VanDerWaalsContact O-CG1 3.23Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.3Å; I486-K510 HydrophobicContact CG2-CB 4.44Å; I486-K510 HydrophobicContact CG2-CG 4.26Å; I486-I513 HydrophobicContact CD1-CG2 3.76Å; I486-I513 HydrophobicContact CG1-CG2 4.17Å; I486-K514 HydrophobicContact CD1-CG 4.48Å; I486-Y525 HydrophobicContact CD1-CD2 4.18Å; I486-Y525 HydrophobicContact CD1-CG 4.09Å; I486-Y525 HydrophobicContact CG1-CD1 3.75Å; I486-Y525 HydrophobicContact CG1-CD2 3.77Å; I486-Y525 HydrophobicContact CG1-CE1 3.84Å; I486-Y525 HydrophobicContact CG1-CE2 3.92Å; I486-Y525 HydrophobicContact CG1-CG 3.7Å
487	E	87	Confident	86.1	Confident	101 Å²	101	66.5 Å²	66.5	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-25.2	178.9	-76.6	177.5	179.2	0	0	114.2	D483 Q485 P491 K510	D483-E487 WeakPolarHBondContact O-CB 3.31Å; D483-E487 VanDerWaalsContact O-CG 3.3Å; D483-E487 WeakPolarHBondContact O-CG 3.45Å; D483-E487 PolarHBondContact O-N 3.13Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 PolarHBondContact O-N 3.15Å; E487-P491 WeakPolarHBondContact O-CD 3.38Å; E487-P491 WeakPolarHBondContact O-CG 3.17Å; E487-K510 HydrophobicContact CG-CD 4.45Å; E487-K510 IonicContact OE1-NZ 2.97Å; E487-K510 PolarHBondContact OE1-NZ 3.42Å
488	V	85.5	Confident	86.1	Confident	83 Å²	83	65.6 Å²	65.6	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-87.5	-33.4	176.4	178.3	0	0	0	0	111	R484 Q485 I486 R492	R484-V488 VanDerWaalsContact O-CG2 3.27Å; R484-V488 WeakPolarHBondContact O-CG2 3.47Å; R484-V488 PolarHBondContact O-N 2.71Å; Q485-V488 PolarHBondContact O-N 2.87Å; I486-V488 VanDerWaalsContact C-N 3.27Å; I486-V488 PolarHBondContact O-N 2.93Å; V488-R492 WeakPolarHBondContact O-CG 3.29Å; V488-R492 PolarHBondContact O-NE 3.36Å
489	D	83.8	Confident	86.1	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-78.7	-45.3	-175.9	-69.5	-6.2	0	0	0	112	Q485 I486 R492 C493 Y525	Q485-D489 WeakPolarHBondContact O-CB 3.35Å; Q485-D489 VanDerWaalsContact O-CG 3.31Å; Q485-D489 PolarHBondContact O-N 3.09Å; I486-D489 PolarHBondContact O-N 2.88Å; D489-R492 WeakPolarHBondContact O-CA 3.33Å; D489-R492 WeakPolarHBondContact O-CB 3.4Å; D489-R492 PolarHBondContact O-N 3.46Å; D489-R492 IonicContact OD1-CZ 2.72Å; D489-R492 IonicContact OD1-NE 2.75Å; D489-R492 IonicContact OD1-NH2 3.93Å; D489-R492 PolarHBondContact OD1-NH2 3.11Å; D489-C493 PolarHBondContact O-N 2.88Å; D489-Y525 WeakPolarHBondContact CB-OH 3.49Å; D489-Y525 WeakPolarHBondContact OD2-CE1 3.3Å; D489-Y525 PolarHBondContact OD2-OH 2.75Å
490	I	88.8	Confident	86.3	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-49.4	-176.7	-74.5	169.8	0	0	0	113.7	I486 R492 C493 H506 F509 K510 I513	I486-I490 HydrophobicContact CG2-CD1 3.31Å; I486-I490 HydrophobicContact CG2-CG1 4.05Å; I486-I490 WeakPolarHBondContact O-CB 3.33Å; I486-I490 WeakPolarHBondContact O-CD1 3.06Å; I486-I490 VanDerWaalsContact O-CG1 3.23Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.3Å; I490-R492 PolarHBondContact O-N 3.38Å; I490-R492 VanDerWaalsContact O-N 3.12Å; I490-C493 WeakPolarHBondContact O-CB 2.85Å; I490-C493 PolarHBondContact O-N 2.98Å; I490-H506 VanDerWaalsContact CG2-CA 3.48Å; I490-H506 HydrophobicContact CG2-CB 3.57Å; I490-F509 HydrophobicContact CD1-CB 3.47Å; I490-F509 VanDerWaalsContact CD1-CB 3.47Å; I490-F509 HydrophobicContact CD1-CG 4.49Å; I490-F509 HydrophobicContact CG1-CB 3.74Å; I490-F509 HydrophobicContact CG1-CG 4.26Å; I490-F509 HydrophobicContact CG2-CB 3.97Å; I490-F509 HydrophobicContact CG2-CD2 3.99Å; I490-F509 HydrophobicContact CG2-CG 4.25Å; I490-K510 HydrophobicContact CD1-CB 3.92Å; I490-I513 HydrophobicContact CD1-CD1 4.44Å; I490-I513 HydrophobicContact CG1-CD1 4.42Å
491	P	84.6	Confident	86.5	Confident	27 Å²	27	52.6 Å²	52.6	18%	0.175	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	-179.9	-22.3	34.9	0	0	0	113.9	L49 E487	L49-P491 HydrophobicContact CD1-CB 3.79Å; L49-P491 HydrophobicContact CD1-CG 4.34Å; E487-P491 WeakPolarHBondContact O-CD 3.38Å; E487-P491 WeakPolarHBondContact O-CG 3.17Å
492	R	83	Confident	86.8	Confident	71 Å²	71	47.6 Å²	47.6	27%	0.268	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-28.6	178.8	-58.9	-173.9	-71.5	177.1	4.7	111.6	V488 D489 I490 H494	V488-R492 WeakPolarHBondContact O-CG 3.29Å; V488-R492 PolarHBondContact O-NE 3.36Å; D489-R492 WeakPolarHBondContact O-CA 3.33Å; D489-R492 WeakPolarHBondContact O-CB 3.4Å; D489-R492 PolarHBondContact O-N 3.46Å; D489-R492 IonicContact OD1-CZ 2.72Å; D489-R492 IonicContact OD1-NE 2.75Å; D489-R492 IonicContact OD1-NH2 3.93Å; D489-R492 PolarHBondContact OD1-NH2 3.11Å; I490-R492 PolarHBondContact O-N 3.38Å; I490-R492 VanDerWaalsContact O-N 3.12Å; R492-H494 PolarHBondContact O-N 3.45Å
493	C	83.4	Confident	86.9	Confident	7 Å²	7	48 Å²	48	5%	0.047	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	117.9	178.6	-171.2	0	0	0	0	111	D489 I490 Q495 D530	D489-C493 PolarHBondContact O-N 2.88Å; I490-C493 WeakPolarHBondContact O-CB 2.85Å; I490-C493 PolarHBondContact O-N 2.98Å; C493-Q495 PolarHBondContact O-N 2.71Å; C493-D530 HydrophobicContact CB-CB 4.46Å; C493-D530 WeakPolarHBondContact CB-OD2 3.11Å
494	H	83.9	Confident	86.8	Confident	11 Å²	11	49 Å²	49	5%	0.051	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	37.1	-178.7	-63.3	-76.4	0	0	0	114.9	R492 Y496 D497 L500 A534 V654	R492-H494 PolarHBondContact O-N 3.45Å; H494-Y496 HydrophobicContact CB-CE1 4.42Å; H494-Y496 AromaticContact ND1-CE1 3.83Å; H494-Y496 AromaticContact ND1-CZ 3.54Å; H494-Y496 PolarHBondContact ND1-OH 3.45Å; H494-Y496 PolarHBondContact O-N 3.49Å; H494-D497 HydrophobicContact CB-CB 4.47Å; H494-D497 WeakPolarHBondContact O-CB 3.31Å; H494-D497 PolarHBondContact O-N 2.89Å; H494-L500 HydrophobicContact CB-CB 4.47Å; H494-L500 HydrophobicContact CB-CD1 3.87Å; H494-A534 WeakPolarHBondContact CD2-CB 3.29Å; H494-V654 PolarHBondContact CE1-O 3.36Å
495	Q	84.3	Confident	87.1	Confident	104 Å²	104	38.9 Å²	38.9	49%	0.486	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.5	-176.5	65.4	176.8	-30.5	0	0	115.4	C493	C493-Q495 PolarHBondContact O-N 2.71Å
496	Y	85.2	Confident	87.6	Confident	121 Å²	121	37.2 Å²	37.2	48%	0.475	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-20.3	175	62.3	-100.1	0	0	0	113	H494 M657 P658 L659	H494-Y496 HydrophobicContact CB-CE1 4.42Å; H494-Y496 AromaticContact ND1-CE1 3.83Å; H494-Y496 AromaticContact ND1-CZ 3.54Å; H494-Y496 PolarHBondContact ND1-OH 3.45Å; H494-Y496 PolarHBondContact O-N 3.49Å; Y496-M657 PolarHBondContact OH-O 3.31Å; Y496-P658 WeakPolarHBondContact OH-CA 3.46Å; Y496-L659 PolarHBondContact OH-N 3Å; Y496-L659 VanDerWaalsContact OH-N 3.1Å
497	D	89.9	Confident	87.8	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	-83.6	124.4	179.9	-177	-90.7	0	0	0	110	H494 L499 L500 S501 L659	H494-D497 HydrophobicContact CB-CB 4.47Å; H494-D497 WeakPolarHBondContact O-CB 3.31Å; H494-D497 PolarHBondContact O-N 2.89Å; D497-L499 VanDerWaalsContact C-N 3.27Å; D497-L499 PolarHBondContact O-N 2.89Å; D497-L499 WeakPolarHBondContact OD1-CB 3.44Å; D497-L499 PolarHBondContact OD1-N 3.4Å; D497-L500 HydrophobicContact CB-CB 4.26Å; D497-L500 PolarHBondContact O-N 3.02Å; D497-L500 PolarHBondContact OD1-N 3.41Å; D497-S501 WeakPolarHBondContact O-CB 3.44Å; D497-S501 PolarHBondContact O-N 2.97Å; D497-S501 PolarHBondContact O-OG 3.36Å; D497-L659 HydrophobicContact CB-CD1 4.06Å
498	E	89.5	Confident	88.3	Confident	66 Å²	66	36.6 Å²	36.6	31%	0.308	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.2	-172.1	-59.4	-174.7	149.9	0	0	113	I56 I59 R81	I56-E498 HydrophobicContact CD1-CB 3.65Å; I56-E498 HydrophobicContact CD1-CG 3.76Å; I59-E498 HydrophobicContact CD1-CB 4.1Å; I59-E498 HydrophobicContact CG2-CB 4.26Å; R81-E498 VanDerWaalsContact CB-OE1 3.32Å; R81-E498 WeakPolarHBondContact CB-OE1 3.19Å; R81-E498 WeakPolarHBondContact CB-OE2 3.29Å; R81-E498 VanDerWaalsContact CD-OE1 3.27Å; R81-E498 WeakPolarHBondContact CD-OE1 3.31Å; R81-E498 IonicContact NH1-OE1 3.07Å; R81-E498 PolarHBondContact NH1-OE1 3.34Å
499	L	91.4	Very high	88.7	Confident	25 Å²	25	32.7 Å²	32.7	13%	0.131	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-50.1	176.7	179.1	61.2	0	0	0	110.2	I59 P63 D497 S502 A505 Y538 F541	I59-L499 HydrophobicContact CG2-CB 4.45Å; P63-L499 HydrophobicContact CG-CD1 3.84Å; D497-L499 VanDerWaalsContact C-N 3.27Å; D497-L499 PolarHBondContact O-N 2.89Å; D497-L499 WeakPolarHBondContact OD1-CB 3.44Å; D497-L499 PolarHBondContact OD1-N 3.4Å; L499-S502 VanDerWaalsContact O-CB 3.29Å; L499-S502 WeakPolarHBondContact O-CB 3.39Å; L499-S502 PolarHBondContact O-N 2.75Å; L499-S502 PolarHBondContact O-OG 3.33Å; L499-A505 WeakPolarHBondContact O-CB 3.3Å; L499-Y538 HydrophobicContact CB-CE2 4.33Å; L499-Y538 HydrophobicContact CD2-CD2 3.93Å; L499-Y538 HydrophobicContact CD2-CE2 4.03Å; L499-F541 HydrophobicContact CD1-CD1 4.43Å; L499-F541 HydrophobicContact CD1-CD2 3.92Å; L499-F541 HydrophobicContact CD1-CE1 4.14Å; L499-F541 HydrophobicContact CD1-CE2 3.61Å; L499-F541 HydrophobicContact CD1-CG 4.3Å; L499-F541 HydrophobicContact CD1-CZ 3.71Å; L499-F541 HydrophobicContact CD2-CD2 3.9Å; L499-F541 HydrophobicContact CD2-CE2 4.33Å; L499-F541 HydrophobicContact CD2-CG 4.28Å; L499-F541 HydrophobicContact CG-CD2 3.9Å; L499-F541 HydrophobicContact CG-CE2 3.82Å; L499-F541 HydrophobicContact CG-CZ 4.42Å
500	L	92.4	Very high	89.2	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.2	-176.2	-64.9	-171.2	0	0	0	114.1	H494 D497 S502 A505 H506 F509 A534 L537 Y538 L659	H494-L500 HydrophobicContact CB-CB 4.47Å; H494-L500 HydrophobicContact CB-CD1 3.87Å; D497-L500 HydrophobicContact CB-CB 4.26Å; D497-L500 PolarHBondContact O-N 3.02Å; D497-L500 PolarHBondContact OD1-N 3.41Å; L500-S502 PolarHBondContact O-N 2.63Å; L500-A505 WeakPolarHBondContact O-CB 3.43Å; L500-H506 PolarHBondContact O-CD2 2.88Å; L500-H506 VanDerWaalsContact O-CD2 3.25Å; L500-H506 PolarHBondContact O-NE2 3.4Å; L500-F509 HydrophobicContact CB-CE2 4.25Å; L500-F509 HydrophobicContact CD1-CE2 4.45Å; L500-F509 HydrophobicContact CD1-CZ 4.2Å; L500-F509 HydrophobicContact CD2-CE2 3.97Å; L500-F509 HydrophobicContact CD2-CZ 4.21Å; L500-F509 HydrophobicContact CG-CE2 4.46Å; L500-A534 HydrophobicContact CD1-CB 3.79Å; L500-L537 HydrophobicContact CD2-CD2 4.3Å; L500-L537 HydrophobicContact CD2-CG 4.26Å; L500-Y538 HydrophobicContact CD2-CD2 4.46Å; L500-Y538 HydrophobicContact CG-CD2 4.21Å; L500-L659 HydrophobicContact CD1-CD1 3.68Å; L500-L659 HydrophobicContact CG-CD1 4.44Å
501	S	90.3	Very high	89.6	Confident	20 Å²	20	38.3 Å²	38.3	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.8	173	58.8	0	0	0	0	114.1	D497 H506	D497-S501 WeakPolarHBondContact O-CB 3.44Å; D497-S501 PolarHBondContact O-N 2.97Å; D497-S501 PolarHBondContact O-OG 3.36Å; S501-H506 PolarHBondContact O-CE1 3.05Å; S501-H506 PolarHBondContact O-NE2 3.42Å
502	S	88.2	Confident	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-74.8	147.7	179.8	74.1	0	0	0	0	112.2	I56 G60 L499 L500 T504 A505 H506	I56-S502 WeakPolarHBondContact O-CB 3.41Å; G60-S502 VanDerWaalsContact CA-CB 3.44Å; G60-S502 WeakPolarHBondContact CA-OG 3.3Å; L499-S502 VanDerWaalsContact O-CB 3.29Å; L499-S502 WeakPolarHBondContact O-CB 3.39Å; L499-S502 PolarHBondContact O-N 2.75Å; L499-S502 PolarHBondContact O-OG 3.33Å; L500-S502 PolarHBondContact O-N 2.63Å; S502-T504 PolarHBondContact O-N 3.36Å; S502-T504 VanDerWaalsContact O-N 3.17Å; S502-A505 WeakPolarHBondContact O-CA 3.45Å; S502-A505 WeakPolarHBondContact O-CB 3.24Å; S502-A505 PolarHBondContact O-N 3.1Å; S502-A505 WeakPolarHBondContact OG-CB 3.24Å; S502-A505 PolarHBondContact OG-N 3.15Å; S502-A505 VanDerWaalsContact OG-N 3.15Å; S502-H506 PolarHBondContact O-CD2 3.43Å; S502-H506 PolarHBondContact O-N 3.22Å
503	P	86.8	Confident	90.8	Very high	42 Å²	42	33.7 Å²	33.7	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-30.3	177.7	-23.5	35.7	0	0	0	112.5	T52 N57 H506 Q507	T52-P503 HydrophobicContact CG2-CG 4.31Å; N57-P503 WeakPolarHBondContact OD1-CD 3.11Å; N57-P503 WeakPolarHBondContact OD1-CG 3.29Å; P503-H506 PolarHBondContact O-N 2.85Å; P503-Q507 VanDerWaalsContact O-CG 3.26Å; P503-Q507 WeakPolarHBondContact O-CG 3.33Å; P503-Q507 PolarHBondContact O-N 3.17Å
504	T	86.5	Confident	91.3	Very high	29 Å²	29	34 Å²	34	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-43.7	173.8	-58.6	0	0	0	0	111.1	G60 S502 Q507 K508 F541	G60-T504 WeakPolarHBondContact O-CG2 3.49Å; S502-T504 PolarHBondContact O-N 3.36Å; S502-T504 VanDerWaalsContact O-N 3.17Å; T504-Q507 PolarHBondContact O-N 3.2Å; T504-K508 HydrophobicContact CG2-CD 4.38Å; T504-K508 VanDerWaalsContact O-CG 3.26Å; T504-K508 WeakPolarHBondContact O-CG 3.32Å; T504-K508 PolarHBondContact O-N 2.83Å; T504-K508 VanDerWaalsContact O-N 3.13Å; T504-F541 HydrophobicContact CG2-CE1 4.11Å; T504-F541 HydrophobicContact CG2-CZ 4.03Å
505	A	93.6	Very high	91.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-42.9	173.3	0	0	0	0	0	111.6	L499 L500 S502 Q507 K508 F509 F541	L499-A505 WeakPolarHBondContact O-CB 3.3Å; L500-A505 WeakPolarHBondContact O-CB 3.43Å; S502-A505 WeakPolarHBondContact O-CA 3.45Å; S502-A505 WeakPolarHBondContact O-CB 3.24Å; S502-A505 PolarHBondContact O-N 3.1Å; S502-A505 WeakPolarHBondContact OG-CB 3.24Å; S502-A505 PolarHBondContact OG-N 3.15Å; S502-A505 VanDerWaalsContact OG-N 3.15Å; A505-Q507 VanDerWaalsContact C-N 3.3Å; A505-Q507 PolarHBondContact O-N 3.37Å; A505-K508 CarbonylContact O-C 3.59Å; A505-K508 WeakPolarHBondContact O-CA 2.84Å; A505-K508 WeakPolarHBondContact O-CB 3.29Å; A505-K508 PolarHBondContact O-N 2.88Å; A505-F509 WeakPolarHBondContact O-CD2 3.09Å; A505-F509 PolarHBondContact O-N 2.51Å; A505-F541 HydrophobicContact CB-CE2 3.71Å; A505-F541 HydrophobicContact CB-CZ 4.18Å
506	H	93.7	Very high	92.4	Very high	38 Å²	38	28.5 Å²	28.5	18%	0.176	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-42	179.6	-61.4	172	0	0	0	112.5	I490 L500 S501 S502 P503 K508 F509 K510	I490-H506 VanDerWaalsContact CG2-CA 3.48Å; I490-H506 HydrophobicContact CG2-CB 3.57Å; L500-H506 PolarHBondContact O-CD2 2.88Å; L500-H506 VanDerWaalsContact O-CD2 3.25Å; L500-H506 PolarHBondContact O-NE2 3.4Å; S501-H506 PolarHBondContact O-CE1 3.05Å; S501-H506 PolarHBondContact O-NE2 3.42Å; S502-H506 PolarHBondContact O-CD2 3.43Å; S502-H506 PolarHBondContact O-N 3.22Å; P503-H506 PolarHBondContact O-N 2.85Å; H506-K508 VanDerWaalsContact C-N 3.34Å; H506-F509 PolarHBondContact O-N 3.48Å; H506-K510 PolarHBondContact O-N 3.23Å
507	Q	93.1	Very high	92.7	Very high	68 Å²	68	23.9 Å²	23.9	32%	0.318	12%	0.118	S	C	.	.	H	α-helix	trans	-66.4	-37.2	176	-67.7	164.3	-4.8	0	0	112.1	W169 P503 T504 A505 R511	W169-Q507 VanDerWaalsContact CH2-CD 3.46Å; W169-Q507 VanDerWaalsContact CH2-NE2 3.34Å; P503-Q507 VanDerWaalsContact O-CG 3.26Å; P503-Q507 WeakPolarHBondContact O-CG 3.33Å; P503-Q507 PolarHBondContact O-N 3.17Å; T504-Q507 PolarHBondContact O-N 3.2Å; A505-Q507 VanDerWaalsContact C-N 3.3Å; A505-Q507 PolarHBondContact O-N 3.37Å; Q507-R511 WeakPolarHBondContact O-CG 3.45Å; Q507-R511 PolarHBondContact O-N 3.16Å
508	K	95.7	Very high	92.8	Very high	20 Å²	20	25.2 Å²	25.2	9%	0.087	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-46	175.2	-71.1	176.7	171.5	-77.6	0	111.6	T504 A505 H506 K510 R511 I512 L537 F541 E544	T504-K508 HydrophobicContact CG2-CD 4.38Å; T504-K508 VanDerWaalsContact O-CG 3.26Å; T504-K508 WeakPolarHBondContact O-CG 3.32Å; T504-K508 PolarHBondContact O-N 2.83Å; T504-K508 VanDerWaalsContact O-N 3.13Å; A505-K508 CarbonylContact O-C 3.59Å; A505-K508 WeakPolarHBondContact O-CA 2.84Å; A505-K508 WeakPolarHBondContact O-CB 3.29Å; A505-K508 PolarHBondContact O-N 2.88Å; H506-K508 VanDerWaalsContact C-N 3.34Å; K508-K510 PolarHBondContact O-N 3.49Å; K508-R511 PolarHBondContact O-N 2.94Å; K508-I512 WeakPolarHBondContact O-CG1 3.49Å; K508-I512 PolarHBondContact O-N 3.02Å; K508-L537 HydrophobicContact CB-CD1 3.58Å; K508-L537 HydrophobicContact CB-CD2 3.99Å; K508-L537 HydrophobicContact CB-CG 4.46Å; K508-L537 HydrophobicContact CD-CD1 3.98Å; K508-L537 HydrophobicContact CG-CD1 4.34Å; K508-F541 HydrophobicContact CD-CD1 4.17Å; K508-F541 HydrophobicContact CD-CD2 4.3Å; K508-F541 HydrophobicContact CD-CE1 3.87Å; K508-F541 HydrophobicContact CD-CE2 3.99Å; K508-F541 HydrophobicContact CD-CG 4.41Å; K508-F541 HydrophobicContact CD-CZ 3.79Å; K508-F541 VanDerWaalsContact CE-O 3.27Å; K508-F541 WeakPolarHBondContact CE-O 3.34Å; K508-F541 PolarHBondContact NZ-O 3.33Å; K508-E544 HydrophobicContact CB-CG 4.42Å; K508-E544 HydrophobicContact CD-CG 4.45Å; K508-E544 HydrophobicContact CG-CG 4.17Å; K508-E544 WeakPolarHBondContact CG-OE1 3.4Å; K508-E544 IonicContact NZ-OE1 2.63Å; K508-E544 PolarHBondContact NZ-OE1 3.2Å
509	F	94.5	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-52.3	-53.6	171.9	-92.1	-66.2	0	0	0	111.1	I490 L500 A505 H506 R511 I512 I513 D530 C533 A534 L537	I490-F509 HydrophobicContact CD1-CB 3.47Å; I490-F509 VanDerWaalsContact CD1-CB 3.47Å; I490-F509 HydrophobicContact CD1-CG 4.49Å; I490-F509 HydrophobicContact CG1-CB 3.74Å; I490-F509 HydrophobicContact CG1-CG 4.26Å; I490-F509 HydrophobicContact CG2-CB 3.97Å; I490-F509 HydrophobicContact CG2-CD2 3.99Å; I490-F509 HydrophobicContact CG2-CG 4.25Å; L500-F509 HydrophobicContact CB-CE2 4.25Å; L500-F509 HydrophobicContact CD1-CE2 4.45Å; L500-F509 HydrophobicContact CD1-CZ 4.2Å; L500-F509 HydrophobicContact CD2-CE2 3.97Å; L500-F509 HydrophobicContact CD2-CZ 4.21Å; L500-F509 HydrophobicContact CG-CE2 4.46Å; A505-F509 WeakPolarHBondContact O-CD2 3.09Å; A505-F509 PolarHBondContact O-N 2.51Å; H506-F509 PolarHBondContact O-N 3.48Å; F509-R511 VanDerWaalsContact C-N 3.32Å; F509-R511 PolarHBondContact O-N 2.95Å; F509-I512 PolarHBondContact O-N 3.14Å; F509-I513 HydrophobicContact CB-CD1 4.49Å; F509-I513 HydrophobicContact CD1-CD1 4.28Å; F509-I513 WeakPolarHBondContact O-CB 3.33Å; F509-I513 VanDerWaalsContact O-CG1 3.3Å; F509-I513 WeakPolarHBondContact O-CG1 3.39Å; F509-I513 PolarHBondContact O-N 3.35Å; F509-D530 VanDerWaalsContact CE1-O 3.24Å; F509-D530 WeakPolarHBondContact CE1-O 3.42Å; F509-C533 HydrophobicContact CD1-CB 4.1Å; F509-C533 HydrophobicContact CE1-CB 3.99Å; F509-A534 HydrophobicContact CE1-CB 3.89Å; F509-A534 HydrophobicContact CZ-CB 3.58Å; F509-L537 HydrophobicContact CB-CD2 4.22Å; F509-L537 HydrophobicContact CD1-CD2 3.85Å; F509-L537 HydrophobicContact CD2-CD2 3.43Å; F509-L537 VanDerWaalsContact CD2-CD2 3.43Å; F509-L537 HydrophobicContact CE1-CD2 4.06Å; F509-L537 HydrophobicContact CE2-CD2 3.68Å; F509-L537 HydrophobicContact CG-CD2 3.52Å; F509-L537 HydrophobicContact CZ-CD2 3.99Å
510	K	95.3	Very high	92.8	Very high	56 Å²	56	25.7 Å²	25.7	24%	0.243	13%	0.133	C	C	.	.	H	α-helix	trans	-56.4	-46.9	-179.8	-174.3	175.5	-179.4	-179.8	0	110.9	I486 E487 I490 H506 K508 K514	I486-K510 HydrophobicContact CG2-CB 4.44Å; I486-K510 HydrophobicContact CG2-CG 4.26Å; E487-K510 HydrophobicContact CG-CD 4.45Å; E487-K510 IonicContact OE1-NZ 2.97Å; E487-K510 PolarHBondContact OE1-NZ 3.42Å; I490-K510 HydrophobicContact CD1-CB 3.92Å; H506-K510 PolarHBondContact O-N 3.23Å; K508-K510 PolarHBondContact O-N 3.49Å; K510-K514 HydrophobicContact CG-CD 3.89Å; K510-K514 HydrophobicContact CG-CG 4.32Å; K510-K514 VanDerWaalsContact O-CB 3.24Å; K510-K514 WeakPolarHBondContact O-CB 3.19Å; K510-K514 WeakPolarHBondContact O-CG 3.46Å; K510-K514 PolarHBondContact O-N 3.48Å
511	R	96.6	Very high	92.6	Very high	73 Å²	73	29.8 Å²	29.8	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-43.9	178.6	-75.5	-168.4	-59.9	-90.7	5.2	113.2	K476 Q507 K508 F509 A515 E544	K476-R511 HydrophobicContact CB-CG 4.48Å; K476-R511 HydrophobicContact CD-CB 4.24Å; Q507-R511 WeakPolarHBondContact O-CG 3.45Å; Q507-R511 PolarHBondContact O-N 3.16Å; K508-R511 PolarHBondContact O-N 2.94Å; F509-R511 VanDerWaalsContact C-N 3.32Å; F509-R511 PolarHBondContact O-N 2.95Å; R511-A515 VanDerWaalsContact O-CB 3.24Å; R511-A515 WeakPolarHBondContact O-CB 3.25Å; R511-A515 PolarHBondContact O-N 2.96Å; R511-E544 IonicContact CZ-OE1 2.74Å; R511-E544 IonicContact CZ-OE2 2.88Å; R511-E544 IonicContact NE-OE1 3.75Å; R511-E544 IonicContact NE-OE2 3.24Å; R511-E544 PolarHBondContact NE-OE2 2.8Å; R511-E544 VanDerWaalsContact NH2-CD 3.34Å; R511-E544 IonicContact NH2-OE1 3.42Å; R511-E544 PolarHBondContact NH2-OE1 3.05Å; R511-E544 IonicContact NH2-OE2 3.9Å; R511-E544 PolarHBondContact NH2-OE2 3.05Å
512	I	97.3	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-47.3	-179.8	-67.1	165	0	0	0	110.8	K508 F509 A515 W516 C533 L537 E544 A547 F548 L551	K508-I512 WeakPolarHBondContact O-CG1 3.49Å; K508-I512 PolarHBondContact O-N 3.02Å; F509-I512 PolarHBondContact O-N 3.14Å; I512-A515 PolarHBondContact O-N 3.44Å; I512-W516 WeakPolarHBondContact O-CB 3.47Å; I512-W516 PolarHBondContact O-N 3.11Å; I512-C533 VanDerWaalsContact CG2-SG 3.54Å; I512-L537 HydrophobicContact CD1-CB 4.35Å; I512-L537 HydrophobicContact CD1-CD1 3.85Å; I512-E544 HydrophobicContact CD1-CB 4.24Å; I512-E544 HydrophobicContact CD1-CG 4.23Å; I512-E544 HydrophobicContact CG1-CB 4.15Å; I512-E544 HydrophobicContact CG1-CG 4.43Å; I512-A547 HydrophobicContact CD1-CB 3.76Å; I512-F548 HydrophobicContact CG2-CB 4.18Å; I512-L551 HydrophobicContact CG2-CD2 4.06Å
513	I	95.3	Very high	92	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-45.3	-179.4	-66.2	167.7	0	0	0	110.4	I486 I490 F509 A515 W516 T517 Y525 L529 D530 C533	I486-I513 HydrophobicContact CD1-CG2 3.76Å; I486-I513 HydrophobicContact CG1-CG2 4.17Å; I490-I513 HydrophobicContact CD1-CD1 4.44Å; I490-I513 HydrophobicContact CG1-CD1 4.42Å; F509-I513 HydrophobicContact CB-CD1 4.49Å; F509-I513 HydrophobicContact CD1-CD1 4.28Å; F509-I513 WeakPolarHBondContact O-CB 3.33Å; F509-I513 VanDerWaalsContact O-CG1 3.3Å; F509-I513 WeakPolarHBondContact O-CG1 3.39Å; F509-I513 PolarHBondContact O-N 3.35Å; I513-A515 PolarHBondContact O-N 2.83Å; I513-W516 WeakPolarHBondContact O-CB 3.33Å; I513-W516 PolarHBondContact O-N 2.85Å; I513-W516 VanDerWaalsContact O-N 3.16Å; I513-T517 PolarHBondContact O-N 2.93Å; I513-T517 PolarHBondContact O-OG1 2.9Å; I513-Y525 HydrophobicContact CD1-CE2 4.25Å; I513-Y525 HydrophobicContact CG2-CD2 3.45Å; I513-Y525 VanDerWaalsContact CG2-CD2 3.45Å; I513-Y525 HydrophobicContact CG2-CE2 3.85Å; I513-Y525 HydrophobicContact CG2-CG 4.45Å; I513-L529 HydrophobicContact CG2-CD2 4.18Å; I513-D530 HydrophobicContact CD1-CB 3.82Å; I513-C533 HydrophobicContact CG1-CB 4.42Å
514	K	94.8	Very high	91.8	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.057	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-46.9	175.3	-73.7	-174.7	71.4	159.4	0	111.5	K476 A477 T478 D483 I486 K510 W516 T517 A518	K476-K514 WeakPolarHBondContact O-CE 3.07Å; A477-K514 PolarHBondContact O-NZ 2.99Å; T478-K514 WeakPolarHBondContact O-CE 3.4Å; T478-K514 PolarHBondContact O-NZ 3.45Å; D483-K514 VanDerWaalsContact OD1-CD 3.28Å; D483-K514 WeakPolarHBondContact OD1-CD 3.29Å; D483-K514 WeakPolarHBondContact OD1-CE 3.31Å; D483-K514 IonicContact OD1-NZ 3.72Å; D483-K514 PolarHBondContact OD1-NZ 2.91Å; D483-K514 IonicContact OD2-NZ 3.73Å; D483-K514 PolarHBondContact OD2-NZ 2.89Å; I486-K514 HydrophobicContact CD1-CG 4.48Å; K510-K514 HydrophobicContact CG-CD 3.89Å; K510-K514 HydrophobicContact CG-CG 4.32Å; K510-K514 VanDerWaalsContact O-CB 3.24Å; K510-K514 WeakPolarHBondContact O-CB 3.19Å; K510-K514 WeakPolarHBondContact O-CG 3.46Å; K510-K514 PolarHBondContact O-N 3.48Å; K514-W516 VanDerWaalsContact C-N 3.28Å; K514-W516 PolarHBondContact O-N 3.08Å; K514-T517 WeakPolarHBondContact CA-OG1 3.36Å; K514-T517 PolarHBondContact O-N 3.33Å; K514-T517 PolarHBondContact O-OG1 3.09Å; K514-A518 WeakPolarHBondContact O-CB 3.18Å; K514-A518 PolarHBondContact O-N 3.25Å
515	A	95.5	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-43.2	175.6	0	0	0	0	0	111.5	Y471 V474 K476 R511 I512 I513 A518 F519 F548	Y471-A515 HydrophobicContact CD2-CB 3.99Å; Y471-A515 HydrophobicContact CE2-CB 3.54Å; V474-A515 HydrophobicContact CB-CB 4.41Å; V474-A515 HydrophobicContact CG1-CB 3.88Å; V474-A515 WeakPolarHBondContact CG1-O 3.41Å; K476-A515 HydrophobicContact CD-CB 4.21Å; K476-A515 HydrophobicContact CG-CB 3.92Å; R511-A515 VanDerWaalsContact O-CB 3.24Å; R511-A515 WeakPolarHBondContact O-CB 3.25Å; R511-A515 PolarHBondContact O-N 2.96Å; I512-A515 PolarHBondContact O-N 3.44Å; I513-A515 PolarHBondContact O-N 2.83Å; A515-A518 PolarHBondContact O-N 3.25Å; A515-F519 WeakPolarHBondContact O-CB 3.48Å; A515-F519 PolarHBondContact O-N 2.81Å; A515-F548 HydrophobicContact CB-CD2 4.01Å; A515-F548 HydrophobicContact CB-CE2 4.06Å
516	W	94.4	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-45.5	178.2	-168.8	89.5	0	0	0	112.8	I512 I513 K514 F519 H520 Y523 L529 F548 L551 T552 I555 F563	I512-W516 WeakPolarHBondContact O-CB 3.47Å; I512-W516 PolarHBondContact O-N 3.11Å; I513-W516 WeakPolarHBondContact O-CB 3.33Å; I513-W516 PolarHBondContact O-N 2.85Å; I513-W516 VanDerWaalsContact O-N 3.16Å; K514-W516 VanDerWaalsContact C-N 3.28Å; K514-W516 PolarHBondContact O-N 3.08Å; W516-F519 PolarHBondContact O-N 2.87Å; W516-H520 AromaticContact CD1-CE1 3.72Å; W516-H520 AromaticContact CD1-ND1 3.88Å; W516-H520 AromaticContact CD2-ND1 3.8Å; W516-H520 AromaticContact CE2-CE1 3.7Å; W516-H520 AromaticContact CE2-ND1 3.52Å; W516-H520 AromaticContact CZ2-ND1 3.94Å; W516-H520 AromaticContact NE1-CE1 3.32Å; W516-H520 PolarHBondContact NE1-CE1 3.09Å; W516-H520 VanDerWaalsContact NE1-CE1 3.32Å; W516-H520 AromaticContact NE1-ND1 3.59Å; W516-H520 PolarHBondContact O-N 3.46Å; W516-H520 VanDerWaalsContact O-N 3.15Å; W516-H520 PolarHBondContact O-ND1 3.22Å; W516-Y523 AromaticContact CH2-CD2 3.24Å; W516-Y523 HydrophobicContact CH2-CD2 3.24Å; W516-Y523 HydrophobicContact CH2-CE2 4.11Å; W516-Y523 AromaticContact CH2-CG 3.77Å; W516-Y523 HydrophobicContact CH2-CG 3.77Å; W516-Y523 AromaticContact CZ2-CD2 3.63Å; W516-Y523 HydrophobicContact CZ2-CD2 3.63Å; W516-Y523 HydrophobicContact CZ2-CE2 4.16Å; W516-Y523 HydrophobicContact CZ3-CD2 4.07Å; W516-Y523 HydrophobicContact CZ3-CG 4.29Å; W516-L529 HydrophobicContact CD2-CD2 4.28Å; W516-L529 HydrophobicContact CE3-CD1 4.4Å; W516-L529 HydrophobicContact CE3-CD2 3.51Å; W516-L529 HydrophobicContact CZ3-CD2 3.73Å; W516-F548 HydrophobicContact CB-CD2 4.31Å; W516-F548 HydrophobicContact CB-CE2 4.24Å; W516-L551 HydrophobicContact CB-CD2 4.25Å; W516-L551 HydrophobicContact CG-CD2 4.04Å; W516-L551 HydrophobicContact CG-CG 4.49Å; W516-T552 VanDerWaalsContact CD1-OG1 3.3Å; W516-I555 HydrophobicContact CD2-CD1 4.37Å; W516-I555 HydrophobicContact CH2-CD1 4.09Å; W516-I555 HydrophobicContact CH2-CG2 4.34Å; W516-I555 HydrophobicContact CZ2-CB 4.13Å; W516-I555 HydrophobicContact CZ2-CD1 3.43Å; W516-I555 VanDerWaalsContact CZ2-CD1 3.43Å; W516-I555 HydrophobicContact CZ2-CG1 4.36Å; W516-I555 HydrophobicContact CZ2-CG2 3.71Å; W516-F563 HydrophobicContact CH2-CB 3.75Å; W516-F563 AromaticContact CH2-CD2 3.7Å; W516-F563 HydrophobicContact CH2-CD2 3.7Å; W516-F563 AromaticContact CH2-CG 3.84Å; W516-F563 HydrophobicContact CH2-CG 3.84Å; W516-F563 HydrophobicContact CZ2-CD2 4.38Å; W516-F563 HydrophobicContact CZ3-CB 4.05Å; W516-F563 HydrophobicContact CZ3-CD2 4.4Å; W516-F563 HydrophobicContact CZ3-CG 4.17Å
517	T	92.1	Very high	89.9	Confident	24 Å²	24	37.8 Å²	37.8	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-33.6	176.7	54.3	0	0	0	0	113.4	I513 K514 H520	I513-T517 PolarHBondContact O-N 2.93Å; I513-T517 PolarHBondContact O-OG1 2.9Å; K514-T517 WeakPolarHBondContact CA-OG1 3.36Å; K514-T517 PolarHBondContact O-N 3.33Å; K514-T517 PolarHBondContact O-OG1 3.09Å; T517-H520 CarbonylContact O-C 3.59Å
518	A	92.2	Very high	89	Confident	55 Å²	55	34.7 Å²	34.7	46%	0.455	17%	0.174	S	C	.	.	H	α-helix	trans	-75	-33	177.7	0	0	0	0	0	112	V474 K514 A515	V474-A518 HydrophobicContact CG1-CB 3.74Å; K514-A518 WeakPolarHBondContact O-CB 3.18Å; K514-A518 PolarHBondContact O-N 3.25Å; A515-A518 PolarHBondContact O-N 3.25Å
519	F	92.1	Very high	88.5	Confident	91 Å²	91	33.7 Å²	33.7	40%	0.399	17%	0.17	S	C	.	.	H	α-helix	trans	-74.2	-27.1	177.6	-170.4	-101.5	0	0	0	112.8	I470 V474 A515 W516 P521 F548	I470-F519 HydrophobicContact CG2-CD2 4.13Å; I470-F519 HydrophobicContact CG2-CE2 3.47Å; I470-F519 VanDerWaalsContact CG2-CE2 3.47Å; I470-F519 HydrophobicContact CG2-CZ 3.9Å; V474-F519 HydrophobicContact CG2-CB 4.31Å; V474-F519 HydrophobicContact CG2-CD2 3.85Å; A515-F519 WeakPolarHBondContact O-CB 3.48Å; A515-F519 PolarHBondContact O-N 2.81Å; W516-F519 PolarHBondContact O-N 2.87Å; F519-P521 WeakPolarHBondContact O-CD 3.48Å; F519-F548 HydrophobicContact CB-CE2 4.23Å; F519-F548 HydrophobicContact CB-CZ 3.99Å; F519-F548 HydrophobicContact CD1-CZ 4.06Å; F519-F548 HydrophobicContact CD2-CZ 4.34Å; F519-F548 AromaticContact CG-CZ 3.87Å; F519-F548 HydrophobicContact CG-CZ 3.87Å
520	H	89	Confident	88.1	Confident	11 Å²	11	34 Å²	34	5%	0.051	17%	0.172	C	C	.	.			trans	-116.4	81.5	177.2	-53.7	94.6	0	0	0	110.9	W516 T517 E522 Y523	W516-H520 AromaticContact CD1-CE1 3.72Å; W516-H520 AromaticContact CD1-ND1 3.88Å; W516-H520 AromaticContact CD2-ND1 3.8Å; W516-H520 AromaticContact CE2-CE1 3.7Å; W516-H520 AromaticContact CE2-ND1 3.52Å; W516-H520 AromaticContact CZ2-ND1 3.94Å; W516-H520 AromaticContact NE1-CE1 3.32Å; W516-H520 PolarHBondContact NE1-CE1 3.09Å; W516-H520 VanDerWaalsContact NE1-CE1 3.32Å; W516-H520 AromaticContact NE1-ND1 3.59Å; W516-H520 PolarHBondContact O-N 3.46Å; W516-H520 VanDerWaalsContact O-N 3.15Å; W516-H520 PolarHBondContact O-ND1 3.22Å; T517-H520 CarbonylContact O-C 3.59Å; H520-E522 VanDerWaalsContact C-OE2 3.26Å; H520-E522 PolarHBondContact O-N 3.47Å; H520-E522 VanDerWaalsContact O-N 3.13Å; H520-Y523 HydrophobicContact CB-CD2 3.39Å; H520-Y523 HydrophobicContact CB-CE2 4.16Å; H520-Y523 HydrophobicContact CB-CG 4Å; H520-Y523 AromaticContact CG-CD2 3.79Å; H520-Y523 PolarHBondContact O-N 3.16Å
521	P	87	Confident	87.7	Confident	86 Å²	86	31.5 Å²	31.5	56%	0.558	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.4	-174.5	27	-36.3	0	0	0	114.4	F519 Y523 K565	F519-P521 WeakPolarHBondContact O-CD 3.48Å; P521-Y523 VanDerWaalsContact C-N 3.29Å; P521-K565 WeakPolarHBondContact O-CE 3.42Å; P521-K565 PolarHBondContact O-NZ 2.91Å
522	E	83	Confident	87.2	Confident	86 Å²	86	28 Å²	28	40%	0.402	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.4	172	71	-83.9	-156.1	0	0	112.9	H520 L564 K565	H520-E522 VanDerWaalsContact C-OE2 3.26Å; H520-E522 PolarHBondContact O-N 3.47Å; H520-E522 VanDerWaalsContact O-N 3.13Å; E522-L564 HydrophobicContact CB-CD2 3.97Å; E522-L564 HydrophobicContact CG-CD2 4.01Å; E522-L564 WeakPolarHBondContact O-CA 3.35Å; E522-L564 WeakPolarHBondContact O-CD2 3.3Å; E522-K565 WeakPolarHBondContact O-CG 3.49Å; E522-K565 PolarHBondContact O-N 3.32Å
523	Y	84.6	Confident	87	Confident	12 Å²	12	28 Å²	28	5%	0.047	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-101.2	156.1	-179.2	-60.3	-28.3	0	0	0	112.5	W516 H520 P521 S561 F563 L564 K565	W516-Y523 AromaticContact CH2-CD2 3.24Å; W516-Y523 HydrophobicContact CH2-CD2 3.24Å; W516-Y523 HydrophobicContact CH2-CE2 4.11Å; W516-Y523 AromaticContact CH2-CG 3.77Å; W516-Y523 HydrophobicContact CH2-CG 3.77Å; W516-Y523 AromaticContact CZ2-CD2 3.63Å; W516-Y523 HydrophobicContact CZ2-CD2 3.63Å; W516-Y523 HydrophobicContact CZ2-CE2 4.16Å; W516-Y523 HydrophobicContact CZ3-CD2 4.07Å; W516-Y523 HydrophobicContact CZ3-CG 4.29Å; H520-Y523 HydrophobicContact CB-CD2 3.39Å; H520-Y523 HydrophobicContact CB-CE2 4.16Å; H520-Y523 HydrophobicContact CB-CG 4Å; H520-Y523 AromaticContact CG-CD2 3.79Å; H520-Y523 PolarHBondContact O-N 3.16Å; P521-Y523 VanDerWaalsContact C-N 3.29Å; Y523-S561 PolarHBondContact OH-N 2.82Å; Y523-F563 CarbonylContact C-O 3.42Å; Y523-F563 WeakPolarHBondContact CA-O 3.07Å; Y523-F563 WeakPolarHBondContact CB-O 3.33Å; Y523-F563 HydrophobicContact CD1-CB 4.15Å; Y523-F563 HydrophobicContact CG-CB 3.92Å; Y523-L564 HydrophobicContact CD1-CD2 3.85Å; Y523-L564 HydrophobicContact CD1-CG 4.08Å; Y523-L564 HydrophobicContact CE1-CD2 3.65Å; Y523-L564 HydrophobicContact CE1-CG 3.85Å; Y523-K565 VanDerWaalsContact O-CE 3.32Å; Y523-K565 WeakPolarHBondContact O-CE 3.46Å
524	V	82.3	Confident	86.9	Confident	36 Å²	36	28 Å²	28	22%	0.218	15%	0.147	C	C	.	.			trans	-126.4	159.6	170.4	-76	0	0	0	0	110.2	W526 F563 K565	V524-W526 HydrophobicContact CG2-CZ2 4.42Å; V524-W526 PolarHBondContact O-N 2.85Å; V524-F563 PolarHBondContact N-O 2.92Å; V524-K565 HydrophobicContact CB-CG 4.37Å; V524-K565 HydrophobicContact CG1-CB 3.95Å; V524-K565 HydrophobicContact CG1-CD 3.6Å; V524-K565 HydrophobicContact CG1-CG 3.38Å
525	Y	83.7	Confident	86.8	Confident	7 Å²	7	27.4 Å²	27.4	3%	0.027	15%	0.145	C	C	.	.			trans	-64.9	119.5	169	179.2	-102	0	0	0	110	Q485 I486 D489 I513 L529 D530	Q485-Y525 HydrophobicContact CB-CD1 4.45Å; Q485-Y525 HydrophobicContact CB-CE1 4.35Å; Q485-Y525 HydrophobicContact CG-CD1 4.32Å; Q485-Y525 HydrophobicContact CG-CE1 3.95Å; I486-Y525 HydrophobicContact CD1-CD2 4.18Å; I486-Y525 HydrophobicContact CD1-CG 4.09Å; I486-Y525 HydrophobicContact CG1-CD1 3.75Å; I486-Y525 HydrophobicContact CG1-CD2 3.77Å; I486-Y525 HydrophobicContact CG1-CE1 3.84Å; I486-Y525 HydrophobicContact CG1-CE2 3.92Å; I486-Y525 HydrophobicContact CG1-CG 3.7Å; D489-Y525 WeakPolarHBondContact CB-OH 3.49Å; D489-Y525 WeakPolarHBondContact OD2-CE1 3.3Å; D489-Y525 PolarHBondContact OD2-OH 2.75Å; I513-Y525 HydrophobicContact CD1-CE2 4.25Å; I513-Y525 HydrophobicContact CG2-CD2 3.45Å; I513-Y525 VanDerWaalsContact CG2-CD2 3.45Å; I513-Y525 HydrophobicContact CG2-CE2 3.85Å; I513-Y525 HydrophobicContact CG2-CG 4.45Å; Y525-L529 HydrophobicContact CD2-CB 4.07Å; Y525-L529 HydrophobicContact CD2-CD2 4Å; Y525-L529 HydrophobicContact CD2-CG 4.43Å; Y525-L529 HydrophobicContact CE2-CB 3.95Å; Y525-D530 VanDerWaalsContact OH-CG 3.3Å; Y525-D530 PolarHBondContact OH-OD1 2.9Å
526	W	79	Confident	86.9	Confident	74 Å²	74	27.4 Å²	27.4	28%	0.28	15%	0.145	S	C	.	.			trans	-113.6	147	166	-70.4	93.3	0	0	0	109	V524 G528 L529 F563 L564 N567	V524-W526 HydrophobicContact CG2-CZ2 4.42Å; V524-W526 PolarHBondContact O-N 2.85Å; W526-G528 PolarHBondContact O-N 3.48Å; W526-L529 WeakPolarHBondContact O-CB 3.42Å; W526-L529 PolarHBondContact O-N 2.89Å; W526-L529 VanDerWaalsContact O-N 3.11Å; W526-F563 HydrophobicContact CB-CD1 3.84Å; W526-F563 HydrophobicContact CB-CE1 4.01Å; W526-F563 AromaticContact CD1-CD1 3.85Å; W526-F563 HydrophobicContact CG-CD1 4.23Å; W526-L564 PolarHBondContact NE1-O 3.1Å; W526-N567 WeakPolarHBondContact CH2-ND2 3.39Å; W526-N567 WeakPolarHBondContact CZ2-ND2 3.47Å
527	Q	70.4	Confident	87	Confident	82 Å²	82	27.4 Å²	27.4	38%	0.383	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131	176.3	-171.4	-177.7	-29.2	0	0	109.8
528	G	74.5	Confident	87.1	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	-17.7	-173.7	0	0	0	0	0	114	W526 D530 S531 L532 L651	W526-G528 PolarHBondContact O-N 3.48Å; G528-D530 VanDerWaalsContact C-N 3.26Å; G528-D530 PolarHBondContact N-OD1 2.85Å; G528-D530 PolarHBondContact O-N 3.37Å; G528-S531 WeakPolarHBondContact O-CB 3.33Å; G528-S531 PolarHBondContact O-N 3.29Å; G528-S531 VanDerWaalsContact O-N 3.16Å; G528-L532 WeakPolarHBondContact O-CG 3.5Å; G528-L532 PolarHBondContact O-N 3.46Å; G528-L651 WeakPolarHBondContact O-CD2 3.28Å
529	L	85.1	Confident	87.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-34.8	171.6	-179.4	58.3	0	0	0	111.8	I513 W516 Y525 W526 S531 L532 C533 L551 I555 F563	I513-L529 HydrophobicContact CG2-CD2 4.18Å; W516-L529 HydrophobicContact CD2-CD2 4.28Å; W516-L529 HydrophobicContact CE3-CD1 4.4Å; W516-L529 HydrophobicContact CE3-CD2 3.51Å; W516-L529 HydrophobicContact CZ3-CD2 3.73Å; Y525-L529 HydrophobicContact CD2-CB 4.07Å; Y525-L529 HydrophobicContact CD2-CD2 4Å; Y525-L529 HydrophobicContact CD2-CG 4.43Å; Y525-L529 HydrophobicContact CE2-CB 3.95Å; W526-L529 WeakPolarHBondContact O-CB 3.42Å; W526-L529 PolarHBondContact O-N 2.89Å; W526-L529 VanDerWaalsContact O-N 3.11Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-L532 PolarHBondContact O-N 3.38Å; L529-C533 WeakPolarHBondContact O-CB 3.3Å; L529-C533 PolarHBondContact O-N 2.76Å; L529-L551 HydrophobicContact CD1-CD1 4.17Å; L529-L551 HydrophobicContact CD1-CD2 4.33Å; L529-I555 HydrophobicContact CD1-CD1 3.48Å; L529-I555 VanDerWaalsContact CD1-CD1 3.48Å; L529-F563 HydrophobicContact CB-CD1 4.48Å; L529-F563 HydrophobicContact CB-CE1 3.78Å; L529-F563 HydrophobicContact CB-CZ 4.16Å; L529-F563 HydrophobicContact CD1-CE1 4.24Å; L529-F563 HydrophobicContact CD1-CE2 4.2Å; L529-F563 HydrophobicContact CD1-CZ 3.95Å; L529-F563 HydrophobicContact CG-CE1 4.43Å
530	D	86.7	Confident	87.3	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-44.8	170.5	53.1	-49.5	0	0	0	111.3	C493 F509 I513 Y525 G528 L532 C533 A534	C493-D530 HydrophobicContact CB-CB 4.46Å; C493-D530 WeakPolarHBondContact CB-OD2 3.11Å; F509-D530 VanDerWaalsContact CE1-O 3.24Å; F509-D530 WeakPolarHBondContact CE1-O 3.42Å; I513-D530 HydrophobicContact CD1-CB 3.82Å; Y525-D530 VanDerWaalsContact OH-CG 3.3Å; Y525-D530 PolarHBondContact OH-OD1 2.9Å; G528-D530 VanDerWaalsContact C-N 3.26Å; G528-D530 PolarHBondContact N-OD1 2.85Å; G528-D530 PolarHBondContact O-N 3.37Å; D530-L532 PolarHBondContact O-N 3.26Å; D530-C533 WeakPolarHBondContact O-CB 3.44Å; D530-C533 PolarHBondContact O-N 3.36Å; D530-C533 VanDerWaalsContact O-N 3.14Å; D530-A534 PolarHBondContact O-N 3.43Å
531	S	86	Confident	87.5	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-42.1	176.8	-42.7	0	0	0	0	111.7	G528 L529 C533 A534 P535 V654 D655	G528-S531 WeakPolarHBondContact O-CB 3.33Å; G528-S531 PolarHBondContact O-N 3.29Å; G528-S531 VanDerWaalsContact O-N 3.16Å; L529-S531 VanDerWaalsContact C-N 3.34Å; S531-C533 VanDerWaalsContact C-N 3.28Å; S531-C533 PolarHBondContact O-N 3.48Å; S531-A534 WeakPolarHBondContact O-CB 3.44Å; S531-A534 PolarHBondContact O-N 2.96Å; S531-P535 WeakPolarHBondContact O-CD 3.22Å; S531-V654 VanDerWaalsContact CB-CG1 3.46Å; S531-V654 WeakPolarHBondContact O-CG1 3.5Å; S531-D655 WeakPolarHBondContact CB-OD1 3.47Å; S531-D655 PolarHBondContact OG-OD1 2.97Å
532	L	87.2	Confident	87.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-33	173.1	-68.8	173.2	0	0	0	113	G528 L529 D530 A534 F536 L551 F554 L559 F563 T650 L651 V654 W666	G528-L532 WeakPolarHBondContact O-CG 3.5Å; G528-L532 PolarHBondContact O-N 3.46Å; L529-L532 PolarHBondContact O-N 3.38Å; D530-L532 PolarHBondContact O-N 3.26Å; L532-A534 VanDerWaalsContact C-N 3.33Å; L532-F536 WeakPolarHBondContact O-CD2 3.37Å; L532-L551 HydrophobicContact CB-CD1 4.06Å; L532-F554 HydrophobicContact CD2-CE1 4.1Å; L532-L559 HydrophobicContact CD1-CD1 3.42Å; L532-L559 VanDerWaalsContact CD1-CD1 3.42Å; L532-L559 HydrophobicContact CD2-CD1 4.02Å; L532-L559 HydrophobicContact CG-CD1 4.39Å; L532-F563 HydrophobicContact CD1-CE2 4.04Å; L532-F563 HydrophobicContact CD1-CZ 3.66Å; L532-T650 HydrophobicContact CD2-CG2 3.61Å; L532-L651 HydrophobicContact CD1-CD2 4.37Å; L532-L651 HydrophobicContact CD2-CD2 4.34Å; L532-L651 HydrophobicContact CG-CD2 3.98Å; L532-V654 HydrophobicContact CD2-CG2 4.36Å; L532-W666 HydrophobicContact CD2-CH2 4.41Å; L532-W666 HydrophobicContact CD2-CZ2 4.14Å
533	C	93	Very high	88.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.5	-29.3	176.6	-175.2	0	0	0	0	112	F509 I512 I513 L529 D530 S531 F536 L537 L551	F509-C533 HydrophobicContact CD1-CB 4.1Å; F509-C533 HydrophobicContact CE1-CB 3.99Å; I512-C533 VanDerWaalsContact CG2-SG 3.54Å; I513-C533 HydrophobicContact CG1-CB 4.42Å; L529-C533 WeakPolarHBondContact O-CB 3.3Å; L529-C533 PolarHBondContact O-N 2.76Å; D530-C533 WeakPolarHBondContact O-CB 3.44Å; D530-C533 PolarHBondContact O-N 3.36Å; D530-C533 VanDerWaalsContact O-N 3.14Å; S531-C533 VanDerWaalsContact C-N 3.28Å; S531-C533 PolarHBondContact O-N 3.48Å; C533-F536 PolarHBondContact O-N 3.38Å; C533-F536 VanDerWaalsContact O-N 3.13Å; C533-L537 PolarHBondContact O-N 2.72Å; C533-L551 HydrophobicContact CB-CD1 4.46Å; C533-L551 HydrophobicContact CB-CD2 4.06Å
534	A	93.2	Very high	88.7	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.5	-47.6	-170.2	0	0	0	0	0	114.6	H494 L500 F509 D530 S531 L532 F536 L537 Y538	H494-A534 WeakPolarHBondContact CD2-CB 3.29Å; L500-A534 HydrophobicContact CD1-CB 3.79Å; F509-A534 HydrophobicContact CE1-CB 3.89Å; F509-A534 HydrophobicContact CZ-CB 3.58Å; D530-A534 PolarHBondContact O-N 3.43Å; S531-A534 WeakPolarHBondContact O-CB 3.44Å; S531-A534 PolarHBondContact O-N 2.96Å; L532-A534 VanDerWaalsContact C-N 3.33Å; A534-F536 VanDerWaalsContact C-N 3.33Å; A534-F536 PolarHBondContact O-N 3.48Å; A534-L537 PolarHBondContact O-N 3.49Å; A534-Y538 VanDerWaalsContact O-CB 3.28Å; A534-Y538 WeakPolarHBondContact O-CB 3.38Å; A534-Y538 PolarHBondContact O-N 3.16Å
535	P	92.9	Very high	89.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176	-27.9	38.4	0	0	0	112.9	W457 S531 Y538 L539 L659 L662 F663 W666	W457-P535 HydrophobicContact CH2-CB 4.49Å; W457-P535 HydrophobicContact CZ3-CB 4.02Å; S531-P535 WeakPolarHBondContact O-CD 3.22Å; P535-Y538 PolarHBondContact O-N 2.99Å; P535-L539 WeakPolarHBondContact O-CB 3.45Å; P535-L539 VanDerWaalsContact O-CG 3.25Å; P535-L539 WeakPolarHBondContact O-CG 3.37Å; P535-L539 PolarHBondContact O-N 2.89Å; P535-L659 HydrophobicContact CG-CD2 4.28Å; P535-L662 HydrophobicContact CG-CD2 3.45Å; P535-L662 VanDerWaalsContact CG-CD2 3.45Å; P535-L662 HydrophobicContact CG-CG 4.27Å; P535-F663 HydrophobicContact CB-CD1 4.46Å; P535-F663 HydrophobicContact CB-CE1 3.94Å; P535-W666 HydrophobicContact CB-CE3 3.98Å; P535-W666 HydrophobicContact CB-CH2 4.13Å; P535-W666 HydrophobicContact CB-CZ3 3.59Å; P535-W666 HydrophobicContact CG-CE3 4.21Å; P535-W666 HydrophobicContact CG-CH2 3.69Å; P535-W666 HydrophobicContact CG-CZ2 4.22Å; P535-W666 HydrophobicContact CG-CZ3 3.68Å
536	F	95.9	Very high	89.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.8	-42.3	-178.4	-60.5	-55.3	0	0	0	111.7	W457 L461 L532 C533 A534 L539 H540 A547 C550 L551 F554 W666	W457-F536 HydrophobicContact CE3-CD1 4.2Å; W457-F536 AromaticContact CE3-CE1 3.89Å; W457-F536 HydrophobicContact CE3-CE1 3.89Å; W457-F536 HydrophobicContact CZ3-CD1 4.49Å; W457-F536 HydrophobicContact CZ3-CE1 4.25Å; L461-F536 HydrophobicContact CD1-CE1 4.1Å; L461-F536 HydrophobicContact CD1-CZ 4.38Å; L532-F536 WeakPolarHBondContact O-CD2 3.37Å; C533-F536 PolarHBondContact O-N 3.38Å; C533-F536 VanDerWaalsContact O-N 3.13Å; A534-F536 VanDerWaalsContact C-N 3.33Å; A534-F536 PolarHBondContact O-N 3.48Å; F536-L539 PolarHBondContact O-N 3.04Å; F536-H540 WeakPolarHBondContact O-CB 3.06Å; F536-H540 PolarHBondContact O-N 3.33Å; F536-A547 HydrophobicContact CB-CB 4.24Å; F536-C550 HydrophobicContact CB-CB 4.32Å; F536-C550 HydrophobicContact CD1-CB 3.31Å; F536-C550 HydrophobicContact CD2-CB 4.39Å; F536-C550 HydrophobicContact CE1-CB 3.57Å; F536-C550 HydrophobicContact CG-CB 3.76Å; F536-C550 HydrophobicContact CZ-CB 4.2Å; F536-L551 HydrophobicContact CD2-CB 4.01Å; F536-L551 HydrophobicContact CD2-CD1 4.2Å; F536-L551 HydrophobicContact CE2-CB 4.42Å; F536-L551 HydrophobicContact CE2-CD1 4.31Å; F536-F554 HydrophobicContact CE2-CB 3.85Å; F536-F554 HydrophobicContact CE2-CD1 4.48Å; F536-F554 HydrophobicContact CE2-CD2 4.47Å; F536-F554 HydrophobicContact CE2-CG 4.02Å; F536-F554 HydrophobicContact CZ-CB 3.62Å; F536-F554 AromaticContact CZ-CD2 3.81Å; F536-F554 HydrophobicContact CZ-CD2 3.81Å; F536-F554 AromaticContact CZ-CG 3.76Å; F536-F554 HydrophobicContact CZ-CG 3.76Å; F536-W666 HydrophobicContact CD1-CZ3 4.44Å; F536-W666 HydrophobicContact CD2-CZ3 4.16Å; F536-W666 HydrophobicContact CE1-CE3 4.28Å; F536-W666 AromaticContact CE1-CZ3 3.84Å; F536-W666 HydrophobicContact CE1-CZ3 3.84Å; F536-W666 AromaticContact CE2-CH2 3.93Å; F536-W666 HydrophobicContact CE2-CH2 3.93Å; F536-W666 AromaticContact CE2-CZ3 3.51Å; F536-W666 HydrophobicContact CE2-CZ3 3.51Å; F536-W666 HydrophobicContact CZ-CE3 4.03Å; F536-W666 HydrophobicContact CZ-CH2 4.14Å; F536-W666 AromaticContact CZ-CZ3 3.33Å; F536-W666 HydrophobicContact CZ-CZ3 3.33Å
537	L	96.7	Very high	90.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-41.9	173.9	175.2	57.6	0	0	0	111.4	L500 K508 F509 I512 C533 A534 H540 F541	L500-L537 HydrophobicContact CD2-CD2 4.3Å; L500-L537 HydrophobicContact CD2-CG 4.26Å; K508-L537 HydrophobicContact CB-CD1 3.58Å; K508-L537 HydrophobicContact CB-CD2 3.99Å; K508-L537 HydrophobicContact CB-CG 4.46Å; K508-L537 HydrophobicContact CD-CD1 3.98Å; K508-L537 HydrophobicContact CG-CD1 4.34Å; F509-L537 HydrophobicContact CB-CD2 4.22Å; F509-L537 HydrophobicContact CD1-CD2 3.85Å; F509-L537 HydrophobicContact CD2-CD2 3.43Å; F509-L537 VanDerWaalsContact CD2-CD2 3.43Å; F509-L537 HydrophobicContact CE1-CD2 4.06Å; F509-L537 HydrophobicContact CE2-CD2 3.68Å; F509-L537 HydrophobicContact CG-CD2 3.52Å; F509-L537 HydrophobicContact CZ-CD2 3.99Å; I512-L537 HydrophobicContact CD1-CB 4.35Å; I512-L537 HydrophobicContact CD1-CD1 3.85Å; C533-L537 PolarHBondContact O-N 2.72Å; A534-L537 PolarHBondContact O-N 3.49Å; L537-H540 CarbonylContact O-C 3.57Å; L537-F541 HydrophobicContact CD1-CD2 4.14Å; L537-F541 HydrophobicContact CG-CD2 4.36Å; L537-F541 WeakPolarHBondContact O-CA 3.45Å; L537-F541 WeakPolarHBondContact O-CB 3.36Å; L537-F541 PolarHBondContact O-N 2.79Å
538	Y	95.4	Very high	91.9	Very high	85 Å²	85	17.9 Å²	17.9	33%	0.333	9%	0.09	S	C	.	.	H	α-helix	trans	-59.7	-50.2	177	-176.1	-83.6	0	0	0	111.4	L499 L500 A534 P535 L659 F663	L499-Y538 HydrophobicContact CB-CE2 4.33Å; L499-Y538 HydrophobicContact CD2-CD2 3.93Å; L499-Y538 HydrophobicContact CD2-CE2 4.03Å; L500-Y538 HydrophobicContact CD2-CD2 4.46Å; L500-Y538 HydrophobicContact CG-CD2 4.21Å; A534-Y538 VanDerWaalsContact O-CB 3.28Å; A534-Y538 WeakPolarHBondContact O-CB 3.38Å; A534-Y538 PolarHBondContact O-N 3.16Å; P535-Y538 PolarHBondContact O-N 2.99Å; Y538-L659 HydrophobicContact CD2-CD1 3.95Å; Y538-L659 HydrophobicContact CE2-CD1 4.35Å; Y538-L659 HydrophobicContact CG-CD1 4.46Å; Y538-F663 HydrophobicContact CD1-CE1 4.48Å; Y538-F663 AromaticContact CD1-CE2 3.97Å; Y538-F663 HydrophobicContact CD1-CE2 3.97Å; Y538-F663 AromaticContact CD1-CZ 3.44Å; Y538-F663 HydrophobicContact CD1-CZ 3.44Å; Y538-F663 VanDerWaalsContact CD1-CZ 3.44Å; Y538-F663 AromaticContact CE1-CE2 3.88Å; Y538-F663 HydrophobicContact CE1-CE2 3.88Å; Y538-F663 AromaticContact CE1-CZ 3.86Å; Y538-F663 HydrophobicContact CE1-CZ 3.86Å; Y538-F663 HydrophobicContact CG-CZ 4.02Å
539	L	94.1	Very high	92.8	Very high	39 Å²	39	18 Å²	18	20%	0.204	9%	0.09	C	C	.	.	H	α-helix	trans	-73	-27.8	-176.9	-67	173.3	0	0	0	113.3	R453 W457 P535 F536 F663	R453-L539 HydrophobicContact CB-CD2 4.22Å; R453-L539 HydrophobicContact CG-CD1 3.99Å; R453-L539 HydrophobicContact CG-CD2 4.31Å; W457-L539 HydrophobicContact CD2-CD1 3.98Å; W457-L539 HydrophobicContact CE3-CD1 3.39Å; W457-L539 HydrophobicContact CH2-CD1 3.96Å; W457-L539 HydrophobicContact CZ2-CD1 4.45Å; W457-L539 HydrophobicContact CZ3-CD1 3.37Å; P535-L539 WeakPolarHBondContact O-CB 3.45Å; P535-L539 VanDerWaalsContact O-CG 3.25Å; P535-L539 WeakPolarHBondContact O-CG 3.37Å; P535-L539 PolarHBondContact O-N 2.89Å; F536-L539 PolarHBondContact O-N 3.04Å; L539-F663 HydrophobicContact CD1-CD1 4.34Å; L539-F663 HydrophobicContact CD1-CE1 4.11Å; L539-F663 HydrophobicContact CD2-CE1 4.32Å; L539-F663 HydrophobicContact CD2-CZ 4.23Å; L539-F663 HydrophobicContact CG-CE1 4.07Å; L539-F663 HydrophobicContact CG-CZ 4.31Å
540	H	93.9	Very high	93.1	Very high	12 Å²	12	18 Å²	18	6%	0.056	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	39.3	-178.4	-60.1	-64	0	0	0	112.5	G454 F536 L537 N542 N543 L546 A547	G454-H540 VanDerWaalsContact CA-CE1 3.47Å; G454-H540 WeakPolarHBondContact CA-CE1 3.18Å; G454-H540 PolarHBondContact O-CE1 3.48Å; G454-H540 PolarHBondContact O-NE2 2.93Å; G454-H540 VanDerWaalsContact O-NE2 3.09Å; F536-H540 WeakPolarHBondContact O-CB 3.06Å; F536-H540 PolarHBondContact O-N 3.33Å; L537-H540 CarbonylContact O-C 3.57Å; H540-N542 PolarHBondContact O-N 3.48Å; H540-N542 VanDerWaalsContact O-N 3.08Å; H540-N543 CarbonylContact O-C 3.59Å; H540-N543 WeakPolarHBondContact O-CA 3.39Å; H540-N543 PolarHBondContact O-N 2.85Å; H540-L546 VanDerWaalsContact CE1-CD2 3.42Å; H540-L546 WeakPolarHBondContact CE1-CD2 3.12Å; H540-L546 WeakPolarHBondContact ND1-CD2 3.19Å; H540-A547 HydrophobicContact CB-CB 4.01Å
541	F	94	Very high	93.4	Very high	10 Å²	10	17.6 Å²	17.6	4%	0.044	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.2	-172.3	-164	-91.5	0	0	0	114.4	G60 P63 L499 T504 A505 K508 L537	G60-F541 WeakPolarHBondContact O-CE1 3.45Å; G60-F541 WeakPolarHBondContact O-CZ 3.31Å; P63-F541 HydrophobicContact CB-CB 4.5Å; P63-F541 HydrophobicContact CB-CD1 3.52Å; P63-F541 HydrophobicContact CB-CE1 4.12Å; P63-F541 HydrophobicContact CB-CG 4.32Å; P63-F541 HydrophobicContact CG-CD1 3.52Å; P63-F541 HydrophobicContact CG-CE1 3.82Å; P63-F541 HydrophobicContact CG-CG 4.16Å; L499-F541 HydrophobicContact CD1-CD1 4.43Å; L499-F541 HydrophobicContact CD1-CD2 3.92Å; L499-F541 HydrophobicContact CD1-CE1 4.14Å; L499-F541 HydrophobicContact CD1-CE2 3.61Å; L499-F541 HydrophobicContact CD1-CG 4.3Å; L499-F541 HydrophobicContact CD1-CZ 3.71Å; L499-F541 HydrophobicContact CD2-CD2 3.9Å; L499-F541 HydrophobicContact CD2-CE2 4.33Å; L499-F541 HydrophobicContact CD2-CG 4.28Å; L499-F541 HydrophobicContact CG-CD2 3.9Å; L499-F541 HydrophobicContact CG-CE2 3.82Å; L499-F541 HydrophobicContact CG-CZ 4.42Å; T504-F541 HydrophobicContact CG2-CE1 4.11Å; T504-F541 HydrophobicContact CG2-CZ 4.03Å; A505-F541 HydrophobicContact CB-CE2 3.71Å; A505-F541 HydrophobicContact CB-CZ 4.18Å; K508-F541 HydrophobicContact CD-CD1 4.17Å; K508-F541 HydrophobicContact CD-CD2 4.3Å; K508-F541 HydrophobicContact CD-CE1 3.87Å; K508-F541 HydrophobicContact CD-CE2 3.99Å; K508-F541 HydrophobicContact CD-CG 4.41Å; K508-F541 HydrophobicContact CD-CZ 3.79Å; K508-F541 VanDerWaalsContact CE-O 3.27Å; K508-F541 WeakPolarHBondContact CE-O 3.34Å; K508-F541 PolarHBondContact NZ-O 3.33Å; L537-F541 HydrophobicContact CD1-CD2 4.14Å; L537-F541 HydrophobicContact CG-CD2 4.36Å; L537-F541 WeakPolarHBondContact O-CA 3.45Å; L537-F541 WeakPolarHBondContact O-CB 3.36Å; L537-F541 PolarHBondContact O-N 2.79Å
542	N	89.9	Confident	93.6	Very high	79 Å²	79	18.3 Å²	18.3	42%	0.422	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.6	177.5	-67.2	-32.3	0	0	0	114.2	P63 T64 H540	P63-N542 VanDerWaalsContact C-ND2 3.31Å; P63-N542 VanDerWaalsContact CB-OD1 3.25Å; P63-N542 WeakPolarHBondContact CB-OD1 3.46Å; P63-N542 PolarHBondContact O-ND2 2.74Å; T64-N542 PolarHBondContact N-OD1 3.15Å; H540-N542 PolarHBondContact O-N 3.48Å; H540-N542 VanDerWaalsContact O-N 3.08Å
543	N	92.4	Very high	93.3	Very high	67 Å²	67	19.2 Å²	19.2	36%	0.358	10%	0.1	S	C	.	.			trans	-132.5	75.3	-178	-169.2	-15.2	0	0	0	110.3	H540 C545 L546 A547	H540-N543 CarbonylContact O-C 3.59Å; H540-N543 WeakPolarHBondContact O-CA 3.39Å; H540-N543 PolarHBondContact O-N 2.85Å; N543-C545 PolarHBondContact O-N 2.9Å; N543-L546 HydrophobicContact CB-CB 4.13Å; N543-L546 VanDerWaalsContact CG-CB 3.47Å; N543-L546 PolarHBondContact O-N 3.04Å; N543-L546 VanDerWaalsContact O-N 3.09Å; N543-L546 WeakPolarHBondContact OD1-CB 3.37Å; N543-L546 PolarHBondContact OD1-N 3.37Å; N543-L546 VanDerWaalsContact OD1-N 3.1Å; N543-A547 PolarHBondContact O-N 3.05Å; N543-A547 VanDerWaalsContact O-N 3.09Å
544	E	95.6	Very high	92.8	Very high	28 Å²	28	19.2 Å²	19.2	13%	0.131	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-33.1	179.8	-68.6	170.9	-133.2	0	0	112.5	Y471 K508 R511 I512 L546 A547 F548	Y471-E544 HydrophobicContact CE1-CB 4.08Å; Y471-E544 PolarHBondContact OH-OE2 2.72Å; K508-E544 HydrophobicContact CB-CG 4.42Å; K508-E544 HydrophobicContact CD-CG 4.45Å; K508-E544 HydrophobicContact CG-CG 4.17Å; K508-E544 WeakPolarHBondContact CG-OE1 3.4Å; K508-E544 IonicContact NZ-OE1 2.63Å; K508-E544 PolarHBondContact NZ-OE1 3.2Å; R511-E544 IonicContact CZ-OE1 2.74Å; R511-E544 IonicContact CZ-OE2 2.88Å; R511-E544 IonicContact NE-OE1 3.75Å; R511-E544 IonicContact NE-OE2 3.24Å; R511-E544 PolarHBondContact NE-OE2 2.8Å; R511-E544 VanDerWaalsContact NH2-CD 3.34Å; R511-E544 IonicContact NH2-OE1 3.42Å; R511-E544 PolarHBondContact NH2-OE1 3.05Å; R511-E544 IonicContact NH2-OE2 3.9Å; R511-E544 PolarHBondContact NH2-OE2 3.05Å; I512-E544 HydrophobicContact CD1-CB 4.24Å; I512-E544 HydrophobicContact CD1-CG 4.23Å; I512-E544 HydrophobicContact CG1-CB 4.15Å; I512-E544 HydrophobicContact CG1-CG 4.43Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 2.78Å; E544-A547 PolarHBondContact O-N 2.93Å; E544-F548 WeakPolarHBondContact O-CB 3.41Å; E544-F548 PolarHBondContact O-N 3.03Å
545	C	96.1	Very high	92	Very high	21 Å²	21	19.2 Å²	19.2	14%	0.142	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-44.5	176.6	-48.3	0	0	0	0	111.1	I467 Y471 N543 F548 G549	I467-C545 VanDerWaalsContact CG1-O 3.3Å; I467-C545 WeakPolarHBondContact CG1-O 3.48Å; Y471-C545 HydrophobicContact CD1-CB 4.14Å; Y471-C545 WeakPolarHBondContact CD1-SG 3.48Å; Y471-C545 HydrophobicContact CG-CB 4.14Å; N543-C545 PolarHBondContact O-N 2.9Å; C545-F548 PolarHBondContact O-N 2.59Å; C545-G549 PolarHBondContact O-N 3.15Å
546	L	94.3	Very high	91.1	Very high	23 Å²	23	21.1 Å²	21.1	12%	0.12	11%	0.111	C	C	.	.	H	α-helix	trans	-71	-37.7	178.8	-167	58	0	0	0	111.6	L455 A458 I463 H540 N543 E544 G549 C550	L455-L546 HydrophobicContact CD2-CD2 4.12Å; A458-L546 HydrophobicContact CB-CD1 3.85Å; A458-L546 HydrophobicContact CB-CD2 4.27Å; A458-L546 HydrophobicContact CB-CG 4.17Å; I463-L546 HydrophobicContact CB-CD1 4.13Å; I463-L546 HydrophobicContact CG1-CD1 4.32Å; I463-L546 HydrophobicContact CG2-CD1 3.86Å; H540-L546 VanDerWaalsContact CE1-CD2 3.42Å; H540-L546 WeakPolarHBondContact CE1-CD2 3.12Å; H540-L546 WeakPolarHBondContact ND1-CD2 3.19Å; N543-L546 HydrophobicContact CB-CB 4.13Å; N543-L546 VanDerWaalsContact CG-CB 3.47Å; N543-L546 PolarHBondContact O-N 3.04Å; N543-L546 VanDerWaalsContact O-N 3.09Å; N543-L546 WeakPolarHBondContact OD1-CB 3.37Å; N543-L546 PolarHBondContact OD1-N 3.37Å; N543-L546 VanDerWaalsContact OD1-N 3.1Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 2.78Å; L546-G549 PolarHBondContact O-N 3.43Å; L546-C550 WeakPolarHBondContact O-CB 3.45Å; L546-C550 PolarHBondContact O-N 2.89Å; L546-C550 PolarHBondContact O-SG 3.03Å
547	A	96.8	Very high	89.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-47.2	172.1	0	0	0	0	0	111.7	I512 F536 H540 N543 E544 C550 L551	I512-A547 HydrophobicContact CD1-CB 3.76Å; F536-A547 HydrophobicContact CB-CB 4.24Å; H540-A547 HydrophobicContact CB-CB 4.01Å; N543-A547 PolarHBondContact O-N 3.05Å; N543-A547 VanDerWaalsContact O-N 3.09Å; E544-A547 PolarHBondContact O-N 2.93Å; A547-C550 PolarHBondContact O-N 2.93Å; A547-L551 WeakPolarHBondContact O-CB 3.49Å; A547-L551 PolarHBondContact O-N 3.28Å
548	F	97.1	Very high	88.3	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-43.9	174.7	162.8	-94.6	0	0	0	112.4	I467 I470 Y471 I512 A515 W516 F519 E544 C545 L551 T552	I467-F548 HydrophobicContact CD1-CD1 3.87Å; I467-F548 HydrophobicContact CD1-CE1 3.91Å; I467-F548 HydrophobicContact CG1-CD1 4.4Å; I470-F548 HydrophobicContact CG2-CE1 4.21Å; Y471-F548 HydrophobicContact CD2-CB 3.61Å; Y471-F548 AromaticContact CD2-CD1 3.71Å; Y471-F548 HydrophobicContact CD2-CD1 3.71Å; Y471-F548 AromaticContact CD2-CD2 3.95Å; Y471-F548 HydrophobicContact CD2-CD2 3.95Å; Y471-F548 HydrophobicContact CD2-CE1 4.38Å; Y471-F548 AromaticContact CD2-CG 3.48Å; Y471-F548 HydrophobicContact CD2-CG 3.48Å; Y471-F548 VanDerWaalsContact CD2-CG 3.48Å; Y471-F548 HydrophobicContact CE2-CB 3.81Å; Y471-F548 HydrophobicContact CE2-CD2 4.22Å; Y471-F548 AromaticContact CE2-CG 3.99Å; Y471-F548 HydrophobicContact CE2-CG 3.99Å; Y471-F548 HydrophobicContact CG-CD1 4.4Å; I512-F548 HydrophobicContact CG2-CB 4.18Å; A515-F548 HydrophobicContact CB-CD2 4.01Å; A515-F548 HydrophobicContact CB-CE2 4.06Å; W516-F548 HydrophobicContact CB-CD2 4.31Å; W516-F548 HydrophobicContact CB-CE2 4.24Å; F519-F548 HydrophobicContact CB-CE2 4.23Å; F519-F548 HydrophobicContact CB-CZ 3.99Å; F519-F548 HydrophobicContact CD1-CZ 4.06Å; F519-F548 HydrophobicContact CD2-CZ 4.34Å; F519-F548 AromaticContact CG-CZ 3.87Å; F519-F548 HydrophobicContact CG-CZ 3.87Å; E544-F548 WeakPolarHBondContact O-CB 3.41Å; E544-F548 PolarHBondContact O-N 3.03Å; C545-F548 PolarHBondContact O-N 2.59Å; F548-L551 PolarHBondContact O-N 2.99Å; F548-T552 WeakPolarHBondContact O-CB 3.33Å; F548-T552 PolarHBondContact O-N 2.86Å; F548-T552 PolarHBondContact O-OG1 2.93Å
549	G	93.1	Very high	87	Confident	3 Å²	3	18.4 Å²	18.4	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-47.9	175.7	0	0	0	0	0	111.8	I463 C545 L546 T552 A553	I463-G549 VanDerWaalsContact CD1-C 3.46Å; I463-G549 WeakPolarHBondContact CD1-O 3.37Å; C545-G549 PolarHBondContact O-N 3.15Å; L546-G549 PolarHBondContact O-N 3.43Å; G549-T552 PolarHBondContact O-N 2.75Å; G549-A553 WeakPolarHBondContact O-CB 3.37Å; G549-A553 PolarHBondContact O-N 2.82Å
550	C	91.4	Very high	85.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-45.1	177.2	-64.4	0	0	0	0	112.2	L461 F536 L546 A547 T552 A553 F554	L461-C550 HydrophobicContact CD1-CB 3.95Å; F536-C550 HydrophobicContact CB-CB 4.32Å; F536-C550 HydrophobicContact CD1-CB 3.31Å; F536-C550 HydrophobicContact CD2-CB 4.39Å; F536-C550 HydrophobicContact CE1-CB 3.57Å; F536-C550 HydrophobicContact CG-CB 3.76Å; F536-C550 HydrophobicContact CZ-CB 4.2Å; L546-C550 WeakPolarHBondContact O-CB 3.45Å; L546-C550 PolarHBondContact O-N 2.89Å; L546-C550 PolarHBondContact O-SG 3.03Å; A547-C550 PolarHBondContact O-N 2.93Å; C550-T552 VanDerWaalsContact C-N 3.35Å; C550-T552 PolarHBondContact O-N 2.85Å; C550-A553 PolarHBondContact O-N 2.58Å; C550-F554 WeakPolarHBondContact O-CB 3.28Å; C550-F554 PolarHBondContact O-N 2.92Å
551	L	92.5	Very high	84.2	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-46.9	176.1	179.9	63.3	0	0	0	111.6	I512 W516 L529 L532 C533 F536 A547 F548 F554 I555	I512-L551 HydrophobicContact CG2-CD2 4.06Å; W516-L551 HydrophobicContact CB-CD2 4.25Å; W516-L551 HydrophobicContact CG-CD2 4.04Å; W516-L551 HydrophobicContact CG-CG 4.49Å; L529-L551 HydrophobicContact CD1-CD1 4.17Å; L529-L551 HydrophobicContact CD1-CD2 4.33Å; L532-L551 HydrophobicContact CB-CD1 4.06Å; C533-L551 HydrophobicContact CB-CD1 4.46Å; C533-L551 HydrophobicContact CB-CD2 4.06Å; F536-L551 HydrophobicContact CD2-CB 4.01Å; F536-L551 HydrophobicContact CD2-CD1 4.2Å; F536-L551 HydrophobicContact CE2-CB 4.42Å; F536-L551 HydrophobicContact CE2-CD1 4.31Å; A547-L551 WeakPolarHBondContact O-CB 3.49Å; A547-L551 PolarHBondContact O-N 3.28Å; F548-L551 PolarHBondContact O-N 2.99Å; L551-F554 PolarHBondContact O-N 3.34Å; L551-I555 HydrophobicContact CD1-CD1 3.66Å; L551-I555 HydrophobicContact CD1-CG1 4.24Å; L551-I555 HydrophobicContact CG-CD1 3.92Å; L551-I555 WeakPolarHBondContact O-CG1 3.09Å; L551-I555 PolarHBondContact O-N 3.11Å
552	T	89.4	Confident	82.7	Confident	16 Å²	16	21.5 Å²	21.5	10%	0.098	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-51.9	178.1	-60.9	0	0	0	0	111.8	W516 F548 G549 C550 F554 I555 N556	W516-T552 VanDerWaalsContact CD1-OG1 3.3Å; F548-T552 WeakPolarHBondContact O-CB 3.33Å; F548-T552 PolarHBondContact O-N 2.86Å; F548-T552 PolarHBondContact O-OG1 2.93Å; G549-T552 PolarHBondContact O-N 2.75Å; C550-T552 VanDerWaalsContact C-N 3.35Å; C550-T552 PolarHBondContact O-N 2.85Å; T552-F554 VanDerWaalsContact C-N 3.33Å; T552-F554 PolarHBondContact O-N 3.22Å; T552-I555 PolarHBondContact O-N 3.02Å; T552-N556 WeakPolarHBondContact O-CB 3.27Å; T552-N556 VanDerWaalsContact O-CG 3.23Å; T552-N556 PolarHBondContact O-N 2.92Å; T552-N556 PolarHBondContact O-ND2 3.12Å
553	A	82.5	Confident	82	Confident	20 Å²	20	17.7 Å²	17.7	17%	0.165	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-41.1	179.9	0	0	0	0	0	111.9	L461 I463 G549 C550 N556 S557	L461-A553 HydrophobicContact CB-CB 4.06Å; L461-A553 HydrophobicContact CD2-CB 4.26Å; I463-A553 HydrophobicContact CD1-CB 3.51Å; G549-A553 WeakPolarHBondContact O-CB 3.37Å; G549-A553 PolarHBondContact O-N 2.82Å; C550-A553 PolarHBondContact O-N 2.58Å; A553-N556 PolarHBondContact O-N 3Å; A553-S557 WeakPolarHBondContact O-CB 2.74Å; A553-S557 PolarHBondContact O-N 3.24Å; A553-S557 PolarHBondContact O-OG 3.25Å
554	F	80.9	Confident	80.9	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-48.9	177.4	-175.4	-87.4	0	0	0	111.8	L532 F536 C550 L551 T552 N556 S557 F558 L559 T650 W666 L669 L670	L532-F554 HydrophobicContact CD2-CE1 4.1Å; F536-F554 HydrophobicContact CE2-CB 3.85Å; F536-F554 HydrophobicContact CE2-CD1 4.48Å; F536-F554 HydrophobicContact CE2-CD2 4.47Å; F536-F554 HydrophobicContact CE2-CG 4.02Å; F536-F554 HydrophobicContact CZ-CB 3.62Å; F536-F554 AromaticContact CZ-CD2 3.81Å; F536-F554 HydrophobicContact CZ-CD2 3.81Å; F536-F554 AromaticContact CZ-CG 3.76Å; F536-F554 HydrophobicContact CZ-CG 3.76Å; C550-F554 WeakPolarHBondContact O-CB 3.28Å; C550-F554 PolarHBondContact O-N 2.92Å; L551-F554 PolarHBondContact O-N 3.34Å; T552-F554 VanDerWaalsContact C-N 3.33Å; T552-F554 PolarHBondContact O-N 3.22Å; F554-N556 VanDerWaalsContact C-N 3.34Å; F554-N556 PolarHBondContact O-N 3Å; F554-S557 PolarHBondContact O-N 3.27Å; F554-F558 HydrophobicContact CD1-CD2 4.32Å; F554-F558 AromaticContact CD2-CD2 3.55Å; F554-F558 HydrophobicContact CD2-CD2 3.55Å; F554-F558 AromaticContact CD2-CE2 3.79Å; F554-F558 HydrophobicContact CD2-CE2 3.79Å; F554-F558 HydrophobicContact CE1-CB 4.41Å; F554-F558 HydrophobicContact CE1-CD2 4.31Å; F554-F558 AromaticContact CE2-CD2 3.57Å; F554-F558 HydrophobicContact CE2-CD2 3.57Å; F554-F558 AromaticContact CE2-CE2 3.87Å; F554-F558 HydrophobicContact CE2-CE2 3.87Å; F554-F558 HydrophobicContact CE2-CG 4.42Å; F554-F558 AromaticContact CG-CD2 3.95Å; F554-F558 HydrophobicContact CG-CD2 3.95Å; F554-F558 HydrophobicContact CZ-CB 4.49Å; F554-F558 AromaticContact CZ-CD2 3.96Å; F554-F558 HydrophobicContact CZ-CD2 3.96Å; F554-F558 HydrophobicContact CZ-CG 4.44Å; F554-F558 WeakPolarHBondContact O-CD2 3.35Å; F554-F558 PolarHBondContact O-N 3.38Å; F554-L559 HydrophobicContact CE1-CD1 4.15Å; F554-T650 HydrophobicContact CE1-CG2 4.02Å; F554-T650 HydrophobicContact CZ-CG2 3.9Å; F554-W666 HydrophobicContact CE1-CH2 4.35Å; F554-W666 HydrophobicContact CE1-CZ2 4.26Å; F554-W666 HydrophobicContact CE2-CD2 4.26Å; F554-W666 HydrophobicContact CE2-CE3 4.25Å; F554-W666 HydrophobicContact CE2-CH2 4.44Å; F554-W666 HydrophobicContact CE2-CZ2 4.39Å; F554-W666 HydrophobicContact CE2-CZ3 4.37Å; F554-W666 HydrophobicContact CZ-CD2 4.46Å; F554-W666 HydrophobicContact CZ-CH2 4.2Å; F554-W666 AromaticContact CZ-CZ2 3.9Å; F554-W666 HydrophobicContact CZ-CZ2 3.9Å; F554-L669 HydrophobicContact CE2-CD2 3.81Å; F554-L669 HydrophobicContact CZ-CD2 3.84Å; F554-L670 HydrophobicContact CD2-CD2 4.04Å; F554-L670 HydrophobicContact CE2-CD2 4.32Å
555	I	77.2	Confident	79.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-43.1	178.9	-69.2	169.2	0	0	0	110.4	W516 L529 L551 T552 S557 F558 L559 K560 F563	W516-I555 HydrophobicContact CD2-CD1 4.37Å; W516-I555 HydrophobicContact CH2-CD1 4.09Å; W516-I555 HydrophobicContact CH2-CG2 4.34Å; W516-I555 HydrophobicContact CZ2-CB 4.13Å; W516-I555 HydrophobicContact CZ2-CD1 3.43Å; W516-I555 VanDerWaalsContact CZ2-CD1 3.43Å; W516-I555 HydrophobicContact CZ2-CG1 4.36Å; W516-I555 HydrophobicContact CZ2-CG2 3.71Å; L529-I555 HydrophobicContact CD1-CD1 3.48Å; L529-I555 VanDerWaalsContact CD1-CD1 3.48Å; L551-I555 HydrophobicContact CD1-CD1 3.66Å; L551-I555 HydrophobicContact CD1-CG1 4.24Å; L551-I555 HydrophobicContact CG-CD1 3.92Å; L551-I555 WeakPolarHBondContact O-CG1 3.09Å; L551-I555 PolarHBondContact O-N 3.11Å; T552-I555 PolarHBondContact O-N 3.02Å; I555-S557 PolarHBondContact O-N 3.49Å; I555-F558 PolarHBondContact O-N 3.45Å; I555-L559 HydrophobicContact CG2-CB 4.16Å; I555-L559 CarbonylContact O-C 3.57Å; I555-L559 VanDerWaalsContact O-CA 3.31Å; I555-L559 WeakPolarHBondContact O-CA 3.44Å; I555-L559 PolarHBondContact O-N 3.04Å; I555-K560 PolarHBondContact O-N 3.36Å; I555-F563 HydrophobicContact CD1-CD2 4.26Å; I555-F563 HydrophobicContact CD1-CE2 3.84Å; I555-F563 HydrophobicContact CG1-CE2 4.13Å; I555-F563 HydrophobicContact CG2-CD2 3.96Å; I555-F563 HydrophobicContact CG2-CE2 4.13Å
556	N	74.8	Confident	78.3	Confident	40 Å²	40	24.7 Å²	24.7	21%	0.214	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-29.9	177.5	-72.1	-19	0	0	0	113.2	T552 A553 F554	T552-N556 WeakPolarHBondContact O-CB 3.27Å; T552-N556 VanDerWaalsContact O-CG 3.23Å; T552-N556 PolarHBondContact O-N 2.92Å; T552-N556 PolarHBondContact O-ND2 3.12Å; A553-N556 PolarHBondContact O-N 3Å; F554-N556 VanDerWaalsContact C-N 3.34Å; F554-N556 PolarHBondContact O-N 3Å
557	S	67.1	Low	76.3	Confident	6 Å²	6	25 Å²	25	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-84.2	-41.1	-179.7	-56.3	0	0	0	0	113	A553 F554 I555 L740	A553-S557 WeakPolarHBondContact O-CB 2.74Å; A553-S557 PolarHBondContact O-N 3.24Å; A553-S557 PolarHBondContact O-OG 3.25Å; F554-S557 PolarHBondContact O-N 3.27Å; I555-S557 PolarHBondContact O-N 3.49Å; S557-L740 WeakPolarHBondContact O-CD2 3.28Å
558	F	65.6	Low	74.1	Confident	17 Å²	17	26.4 Å²	26.4	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-117.2	-18.7	-167.3	-59.4	-72.2	0	0	0	114.8	F554 I555 S646 L669 L670 N674	F554-F558 HydrophobicContact CD1-CD2 4.32Å; F554-F558 AromaticContact CD2-CD2 3.55Å; F554-F558 HydrophobicContact CD2-CD2 3.55Å; F554-F558 AromaticContact CD2-CE2 3.79Å; F554-F558 HydrophobicContact CD2-CE2 3.79Å; F554-F558 HydrophobicContact CE1-CB 4.41Å; F554-F558 HydrophobicContact CE1-CD2 4.31Å; F554-F558 AromaticContact CE2-CD2 3.57Å; F554-F558 HydrophobicContact CE2-CD2 3.57Å; F554-F558 AromaticContact CE2-CE2 3.87Å; F554-F558 HydrophobicContact CE2-CE2 3.87Å; F554-F558 HydrophobicContact CE2-CG 4.42Å; F554-F558 AromaticContact CG-CD2 3.95Å; F554-F558 HydrophobicContact CG-CD2 3.95Å; F554-F558 HydrophobicContact CZ-CB 4.49Å; F554-F558 AromaticContact CZ-CD2 3.96Å; F554-F558 HydrophobicContact CZ-CD2 3.96Å; F554-F558 HydrophobicContact CZ-CG 4.44Å; F554-F558 WeakPolarHBondContact O-CD2 3.35Å; F554-F558 PolarHBondContact O-N 3.38Å; I555-F558 PolarHBondContact O-N 3.45Å; F558-S646 PolarHBondContact O-OG 2.86Å; F558-L669 HydrophobicContact CD1-CD1 4.16Å; F558-L669 HydrophobicContact CD1-CG 4.45Å; F558-L669 HydrophobicContact CE1-CD1 3.85Å; F558-L669 HydrophobicContact CE1-CG 4.02Å; F558-L669 HydrophobicContact CZ-CD1 4.42Å; F558-L669 HydrophobicContact CZ-CG 4.1Å; F558-L670 HydrophobicContact CE2-CD2 3.86Å; F558-L670 HydrophobicContact CZ-CD2 4.3Å; F558-N674 WeakPolarHBondContact CD1-OD1 2.99Å; F558-N674 WeakPolarHBondContact CE1-OD1 3.43Å
559	L	68	Low	71.6	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-139.2	31.1	-170.5	-59.4	172.3	0	0	0	112	L532 F554 I555 S561 F562	L532-L559 HydrophobicContact CD1-CD1 3.42Å; L532-L559 VanDerWaalsContact CD1-CD1 3.42Å; L532-L559 HydrophobicContact CD2-CD1 4.02Å; L532-L559 HydrophobicContact CG-CD1 4.39Å; F554-L559 HydrophobicContact CE1-CD1 4.15Å; I555-L559 HydrophobicContact CG2-CB 4.16Å; I555-L559 CarbonylContact O-C 3.57Å; I555-L559 VanDerWaalsContact O-CA 3.31Å; I555-L559 WeakPolarHBondContact O-CA 3.44Å; I555-L559 PolarHBondContact O-N 3.04Å; L559-S561 PolarHBondContact O-N 2.79Å; L559-F562 HydrophobicContact CB-CB 4.18Å; L559-F562 WeakPolarHBondContact O-CB 3.46Å; L559-F562 PolarHBondContact O-N 3.44Å; L559-F562 VanDerWaalsContact O-N 3.12Å
560	K	64.7	Low	69.2	Low	72 Å²	72	28.7 Å²	28.7	31%	0.313	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	137.2	-177.6	-174.2	172.9	177.5	174.4	0	110.5	I555 F562 V739	I555-K560 PolarHBondContact O-N 3.36Å; K560-F562 PolarHBondContact O-N 3.46Å; K560-F562 VanDerWaalsContact O-N 3.08Å; K560-V739 PolarHBondContact NZ-O 3.49Å
561	S	64	Low	66.8	Low	33 Å²	33	30.2 Å²	30.2	23%	0.231	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	2.2	-178.6	-55.7	0	0	0	0	115.8	Y523 L559 F563 L564	Y523-S561 PolarHBondContact OH-N 2.82Å; L559-S561 PolarHBondContact O-N 2.79Å; S561-F563 PolarHBondContact O-N 2.73Å; S561-L564 WeakPolarHBondContact O-CD1 3.37Å; S561-L564 VanDerWaalsContact O-CG 3.29Å; S561-L564 WeakPolarHBondContact O-CG 3.24Å
562	F	63.4	Low	64.2	Low	21 Å²	21	37.6 Å²	37.6	9%	0.092	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-40.4	-177.9	-175.3	-95.4	0	0	0	112.4	L559 K560 L564 Y647 L651	L559-F562 HydrophobicContact CB-CB 4.18Å; L559-F562 WeakPolarHBondContact O-CB 3.46Å; L559-F562 PolarHBondContact O-N 3.44Å; L559-F562 VanDerWaalsContact O-N 3.12Å; K560-F562 PolarHBondContact O-N 3.46Å; K560-F562 VanDerWaalsContact O-N 3.08Å; F562-L564 VanDerWaalsContact C-N 3.31Å; F562-L564 PolarHBondContact O-N 2.75Å; F562-Y647 HydrophobicContact CD2-CD2 4.32Å; F562-Y647 HydrophobicContact CE1-CD2 4.37Å; F562-Y647 HydrophobicContact CE1-CE2 4.04Å; F562-Y647 AromaticContact CE2-CD2 3.42Å; F562-Y647 HydrophobicContact CE2-CD2 3.42Å; F562-Y647 VanDerWaalsContact CE2-CD2 3.42Å; F562-Y647 AromaticContact CE2-CE2 3.61Å; F562-Y647 HydrophobicContact CE2-CE2 3.61Å; F562-Y647 HydrophobicContact CE2-CG 4.4Å; F562-Y647 AromaticContact CZ-CD2 3.49Å; F562-Y647 HydrophobicContact CZ-CD2 3.49Å; F562-Y647 VanDerWaalsContact CZ-CD2 3.49Å; F562-Y647 AromaticContact CZ-CE2 3.17Å; F562-Y647 HydrophobicContact CZ-CE2 3.17Å; F562-L651 HydrophobicContact CE1-CD1 4.35Å
563	F	74.2	Confident	62	Low	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	17.1	-173.8	-65.7	-79.3	0	0	0	113.9	W516 Y523 V524 W526 L529 L532 I555 S561	W516-F563 HydrophobicContact CH2-CB 3.75Å; W516-F563 AromaticContact CH2-CD2 3.7Å; W516-F563 HydrophobicContact CH2-CD2 3.7Å; W516-F563 AromaticContact CH2-CG 3.84Å; W516-F563 HydrophobicContact CH2-CG 3.84Å; W516-F563 HydrophobicContact CZ2-CD2 4.38Å; W516-F563 HydrophobicContact CZ3-CB 4.05Å; W516-F563 HydrophobicContact CZ3-CD2 4.4Å; W516-F563 HydrophobicContact CZ3-CG 4.17Å; Y523-F563 CarbonylContact C-O 3.42Å; Y523-F563 WeakPolarHBondContact CA-O 3.07Å; Y523-F563 WeakPolarHBondContact CB-O 3.33Å; Y523-F563 HydrophobicContact CD1-CB 4.15Å; Y523-F563 HydrophobicContact CG-CB 3.92Å; V524-F563 PolarHBondContact N-O 2.92Å; W526-F563 HydrophobicContact CB-CD1 3.84Å; W526-F563 HydrophobicContact CB-CE1 4.01Å; W526-F563 AromaticContact CD1-CD1 3.85Å; W526-F563 HydrophobicContact CG-CD1 4.23Å; L529-F563 HydrophobicContact CB-CD1 4.48Å; L529-F563 HydrophobicContact CB-CE1 3.78Å; L529-F563 HydrophobicContact CB-CZ 4.16Å; L529-F563 HydrophobicContact CD1-CE1 4.24Å; L529-F563 HydrophobicContact CD1-CE2 4.2Å; L529-F563 HydrophobicContact CD1-CZ 3.95Å; L529-F563 HydrophobicContact CG-CE1 4.43Å; L532-F563 HydrophobicContact CD1-CE2 4.04Å; L532-F563 HydrophobicContact CD1-CZ 3.66Å; I555-F563 HydrophobicContact CD1-CD2 4.26Å; I555-F563 HydrophobicContact CD1-CE2 3.84Å; I555-F563 HydrophobicContact CG1-CE2 4.13Å; I555-F563 HydrophobicContact CG2-CD2 3.96Å; I555-F563 HydrophobicContact CG2-CE2 4.13Å; S561-F563 PolarHBondContact O-N 2.73Å
564	L	70.8	Confident	59.9	Low	37 Å²	37	44.8 Å²	44.8	19%	0.194	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-55	142.3	-179.5	-76.2	171	0	0	0	112.9	E522 Y523 W526 S561 F562 V570	E522-L564 HydrophobicContact CB-CD2 3.97Å; E522-L564 HydrophobicContact CG-CD2 4.01Å; E522-L564 WeakPolarHBondContact O-CA 3.35Å; E522-L564 WeakPolarHBondContact O-CD2 3.3Å; Y523-L564 HydrophobicContact CD1-CD2 3.85Å; Y523-L564 HydrophobicContact CD1-CG 4.08Å; Y523-L564 HydrophobicContact CE1-CD2 3.65Å; Y523-L564 HydrophobicContact CE1-CG 3.85Å; W526-L564 PolarHBondContact NE1-O 3.1Å; S561-L564 WeakPolarHBondContact O-CD1 3.37Å; S561-L564 VanDerWaalsContact O-CG 3.29Å; S561-L564 WeakPolarHBondContact O-CG 3.24Å; F562-L564 VanDerWaalsContact C-N 3.31Å; F562-L564 PolarHBondContact O-N 2.75Å; L564-V570 HydrophobicContact CD1-CG2 3.79Å
565	K	70.3	Confident	58	Low	125 Å²	125	46 Å²	46	54%	0.543	24%	0.239	S	C	.	.	S	Bend	trans	-61.3	-49.3	178.6	-52.6	-154.9	163.9	142.8	0	112.5	P521 E522 Y523 V524	P521-K565 WeakPolarHBondContact O-CE 3.42Å; P521-K565 PolarHBondContact O-NZ 2.91Å; E522-K565 WeakPolarHBondContact O-CG 3.49Å; E522-K565 PolarHBondContact O-N 3.32Å; Y523-K565 VanDerWaalsContact O-CE 3.32Å; Y523-K565 WeakPolarHBondContact O-CE 3.46Å; V524-K565 HydrophobicContact CB-CG 4.37Å; V524-K565 HydrophobicContact CG1-CB 3.95Å; V524-K565 HydrophobicContact CG1-CD 3.6Å; V524-K565 HydrophobicContact CG1-CG 3.38Å
566	D	65.6	Low	56.4	Low	101 Å²	101	50.8 Å²	50.8	54%	0.54	27%	0.268	S	S	.	.			trans	-102.6	88.1	169.9	-176	5.9	0	0	0	107.6	S568	D566-S568 PolarHBondContact O-N 3.25Å; D566-S568 WeakPolarHBondContact OD1-CA 3.37Å; D566-S568 WeakPolarHBondContact OD1-CB 3.49Å; D566-S568 PolarHBondContact OD1-N 3.45Å; D566-S568 PolarHBondContact OD1-OG 2.94Å
567	N	52.2	Low	55.1	Low	30 Å²	30	57.3 Å²	57.3	16%	0.16	30%	0.298	C	S	.	.			trans	-77.4	-6.5	171.5	63.1	9.1	0	0	0	111.1	W526 A569 V570 M571	W526-N567 WeakPolarHBondContact CH2-ND2 3.39Å; W526-N567 WeakPolarHBondContact CZ2-ND2 3.47Å; N567-A569 VanDerWaalsContact C-N 3.31Å; N567-A569 PolarHBondContact O-N 3.22Å; N567-V570 CarbonylContact O-C 3.57Å; N567-V570 VanDerWaalsContact O-CA 3.27Å; N567-V570 WeakPolarHBondContact O-CA 3.35Å; N567-V570 WeakPolarHBondContact O-CB 3.33Å; N567-V570 PolarHBondContact O-N 3.34Å; N567-M571 HydrophobicContact CB-CE 3.73Å; N567-M571 WeakPolarHBondContact ND2-CE 3.24Å; N567-M571 VanDerWaalsContact O-CG 3.23Å; N567-M571 WeakPolarHBondContact O-CG 3.4Å; N567-M571 PolarHBondContact O-N 3.04Å
568	S	50.8	Low	54.1	Low	28 Å²	28	58.6 Å²	58.6	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-32.3	-173.3	80.9	0	0	0	0	113.6	D566 V570 M571 R572	D566-S568 PolarHBondContact O-N 3.25Å; D566-S568 WeakPolarHBondContact OD1-CA 3.37Å; D566-S568 WeakPolarHBondContact OD1-CB 3.49Å; D566-S568 PolarHBondContact OD1-N 3.45Å; D566-S568 PolarHBondContact OD1-OG 2.94Å; S568-V570 VanDerWaalsContact C-N 3.32Å; S568-M571 PolarHBondContact O-N 3.14Å; S568-R572 WeakPolarHBondContact O-CB 3.46Å; S568-R572 WeakPolarHBondContact O-CG 3.38Å; S568-R572 PolarHBondContact O-N 3.22Å; S568-R572 PolarHBondContact OG-NH2 2.88Å
569	A	45.7	Very low	53.3	Low	42 Å²	42	61.4 Å²	61.4	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-68.4	-33.1	171.6	0	0	0	0	0	112.2	N567 A575	N567-A569 VanDerWaalsContact C-N 3.31Å; N567-A569 PolarHBondContact O-N 3.22Å; A569-A575 HydrophobicContact CB-CB 4.42Å; A569-A575 VanDerWaalsContact O-CB 3.29Å; A569-A575 WeakPolarHBondContact O-CB 3.32Å; A569-A575 PolarHBondContact O-N 3.21Å
570	V	42.4	Very low	52.4	Low	11 Å²	11	65.7 Å²	65.7	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-71.8	-38.6	171.2	-163.4	0	0	0	0	110.9	L564 N567 S568 L578 C641 V643	L564-V570 HydrophobicContact CD1-CG2 3.79Å; N567-V570 CarbonylContact O-C 3.57Å; N567-V570 VanDerWaalsContact O-CA 3.27Å; N567-V570 WeakPolarHBondContact O-CA 3.35Å; N567-V570 WeakPolarHBondContact O-CB 3.33Å; N567-V570 PolarHBondContact O-N 3.34Å; S568-V570 VanDerWaalsContact C-N 3.32Å; V570-L578 HydrophobicContact CB-CD1 4.19Å; V570-L578 HydrophobicContact CG1-CB 4.49Å; V570-L578 HydrophobicContact CG1-CD1 3.8Å; V570-L578 HydrophobicContact CG1-CD2 4.01Å; V570-L578 HydrophobicContact CG1-CG 4.31Å; V570-L578 HydrophobicContact CG2-CD1 3.72Å; V570-C641 WeakPolarHBondContact CG1-SG 3.42Å; V570-V643 HydrophobicContact CG1-CG2 4.09Å
571	M	40	Very low	51.7	Low	32 Å²	32	63.8 Å²	63.8	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-41.2	177.9	-62.5	-63.3	164.6	0	0	112.4	N567 S568 A573 N639 V640 C641	N567-M571 HydrophobicContact CB-CE 3.73Å; N567-M571 WeakPolarHBondContact ND2-CE 3.24Å; N567-M571 VanDerWaalsContact O-CG 3.23Å; N567-M571 WeakPolarHBondContact O-CG 3.4Å; N567-M571 PolarHBondContact O-N 3.04Å; S568-M571 PolarHBondContact O-N 3.14Å; M571-A573 VanDerWaalsContact C-N 3.32Å; M571-A573 PolarHBondContact O-N 3.43Å; M571-N639 WeakPolarHBondContact CE-O 3.34Å; M571-N639 VanDerWaalsContact SD-C 3.59Å; M571-V640 VanDerWaalsContact CE-C 3.48Å; M571-V640 VanDerWaalsContact SD-CA 3.56Å; M571-V640 VanDerWaalsContact SD-O 3.4Å; M571-C641 VanDerWaalsContact CE-CA 3.49Å; M571-C641 HydrophobicContact CE-CB 3.47Å; M571-C641 VanDerWaalsContact CE-CB 3.47Å; M571-C641 WeakPolarHBondContact SD-CA 3.18Å; M571-C641 HydrophobicContact SD-CB 3.84Å; M571-C641 PolarHBondContact SD-N 2.95Å
572	R	39.4	Very low	51.2	Low	155 Å²	155	63.1 Å²	63.1	59%	0.585	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	8.8	-170.8	-78.1	-173.2	-83.1	162.7	-7.8	114.3	S568 E574	S568-R572 WeakPolarHBondContact O-CB 3.46Å; S568-R572 WeakPolarHBondContact O-CG 3.38Å; S568-R572 PolarHBondContact O-N 3.22Å; S568-R572 PolarHBondContact OG-NH2 2.88Å; R572-E574 PolarHBondContact O-N 2.95Å
573	A	42.2	Very low	50.8	Low	45 Å²	45	65.1 Å²	65.1	37%	0.372	34%	0.342	S	S	.	.	S	Bend	trans	58	-2.2	-178.7	0	0	0	0	0	115.5	M571 A575 L579	M571-A573 VanDerWaalsContact C-N 3.32Å; M571-A573 PolarHBondContact O-N 3.43Å; A573-A575 VanDerWaalsContact C-N 3.3Å; A573-A575 PolarHBondContact O-N 3.12Å; A573-L579 HydrophobicContact CB-CD1 3.56Å; A573-L579 HydrophobicContact CB-CD2 4.19Å; A573-L579 HydrophobicContact CB-CG 4.31Å
574	E	38.4	Very low	50.2	Low	141 Å²	141	65.6 Å²	65.6	66%	0.659	34%	0.344	S	S	*	.			trans	-72.9	-22	178.2	-71.4	-177.3	166.8	0	0	112.4	R572 T576	R572-E574 PolarHBondContact O-N 2.95Å; E574-T576 VanDerWaalsContact C-N 3.28Å; E574-T576 PolarHBondContact O-N 3.33Å; E574-T576 PolarHBondContact O-OG1 2.97Å
575	A	41.8	Very low	49.7	Very low	26 Å²	26	65.2 Å²	65.2	22%	0.215	34%	0.34	C	S	.	.			trans	-67.6	90.1	166.7	0	0	0	0	0	109.4	A569 A573 E577 L578 L579	A569-A575 HydrophobicContact CB-CB 4.42Å; A569-A575 VanDerWaalsContact O-CB 3.29Å; A569-A575 WeakPolarHBondContact O-CB 3.32Å; A569-A575 PolarHBondContact O-N 3.21Å; A573-A575 VanDerWaalsContact C-N 3.3Å; A573-A575 PolarHBondContact O-N 3.12Å; A575-E577 PolarHBondContact O-N 2.77Å; A575-E577 VanDerWaalsContact O-N 3.08Å; A575-L578 HydrophobicContact CB-CB 4.13Å; A575-L578 HydrophobicContact CB-CD1 4.08Å; A575-L578 PolarHBondContact O-N 2.71Å; A575-L579 PolarHBondContact O-N 3.45Å
576	T	43.4	Very low	49.5	Very low	100 Å²	100	60.1 Å²	60.1	61%	0.613	32%	0.318	S	S	*	.	H	α-helix	trans	-55.7	-30.8	-172.8	-40.4	0	0	0	0	112.5	E574 L580	E574-T576 VanDerWaalsContact C-N 3.28Å; E574-T576 PolarHBondContact O-N 3.33Å; E574-T576 PolarHBondContact O-OG1 2.97Å; T576-L580 WeakPolarHBondContact O-CB 3.28Å; T576-L580 PolarHBondContact O-N 2.56Å
577	E	46.7	Very low	49.6	Very low	177 Å²	177	56.3 Å²	56.3	83%	0.827	30%	0.301	S	S	*	.	H	α-helix	trans	-71.2	-37.8	174.7	-84.1	-177.5	156.6	0	0	113.8	A575 L580 L581	A575-E577 PolarHBondContact O-N 2.77Å; A575-E577 VanDerWaalsContact O-N 3.08Å; E577-L580 WeakPolarHBondContact O-CB 3.18Å; E577-L581 PolarHBondContact O-N 3.4Å; E577-L581 VanDerWaalsContact O-N 3.09Å
578	L	47.3	Very low	50.5	Low	33 Å²	33	55 Å²	55	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-81	-35.5	-179.3	-88.5	148.1	0	0	0	112.3	V570 A575 L580 L581 Y582 V643	V570-L578 HydrophobicContact CB-CD1 4.19Å; V570-L578 HydrophobicContact CG1-CB 4.49Å; V570-L578 HydrophobicContact CG1-CD1 3.8Å; V570-L578 HydrophobicContact CG1-CD2 4.01Å; V570-L578 HydrophobicContact CG1-CG 4.31Å; V570-L578 HydrophobicContact CG2-CD1 3.72Å; A575-L578 HydrophobicContact CB-CB 4.13Å; A575-L578 HydrophobicContact CB-CD1 4.08Å; A575-L578 PolarHBondContact O-N 2.71Å; L578-L580 VanDerWaalsContact C-N 3.26Å; L578-L580 PolarHBondContact O-N 3.12Å; L578-L581 PolarHBondContact O-N 3.17Å; L578-Y582 WeakPolarHBondContact O-CB 3.44Å; L578-Y582 PolarHBondContact O-N 3.44Å; L578-V643 HydrophobicContact CD2-CB 4.41Å; L578-V643 HydrophobicContact CD2-CG1 4.28Å; L578-V643 HydrophobicContact CD2-CG2 3.78Å
579	L	47.4	Very low	51.6	Low	76 Å²	76	54.6 Å²	54.6	40%	0.398	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-39.7	170.2	-171.1	67.9	0	0	0	110.3	A573 A575 Y582 T583	A573-L579 HydrophobicContact CB-CD1 3.56Å; A573-L579 HydrophobicContact CB-CD2 4.19Å; A573-L579 HydrophobicContact CB-CG 4.31Å; A575-L579 PolarHBondContact O-N 3.45Å; L579-Y582 PolarHBondContact O-N 3.27Å; L579-T583 VanDerWaalsContact O-CB 3.32Å; L579-T583 WeakPolarHBondContact O-CB 3.37Å; L579-T583 PolarHBondContact O-N 2.8Å; L579-T583 PolarHBondContact O-OG1 2.96Å
580	L	48.6	Very low	53	Low	95 Å²	95	54.7 Å²	54.7	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-52.9	172.2	-126.8	85.2	0	0	0	110.6	T576 E577 L578 Y582 T583 E584	T576-L580 WeakPolarHBondContact O-CB 3.28Å; T576-L580 PolarHBondContact O-N 2.56Å; E577-L580 WeakPolarHBondContact O-CB 3.18Å; L578-L580 VanDerWaalsContact C-N 3.26Å; L578-L580 PolarHBondContact O-N 3.12Å; L580-Y582 VanDerWaalsContact C-N 3.29Å; L580-Y582 PolarHBondContact O-N 2.86Å; L580-T583 PolarHBondContact O-N 2.68Å; L580-E584 VanDerWaalsContact O-CB 3.24Å; L580-E584 WeakPolarHBondContact O-CB 3.42Å; L580-E584 WeakPolarHBondContact O-CG 3.48Å; L580-E584 PolarHBondContact O-N 3.46Å
581	L	51.3	Low	54.6	Low	31 Å²	31	55.7 Å²	55.7	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-39.4	-179.3	-163.8	81.3	0	0	0	112.8	E577 L578 E584 Y585 V643 L736 V739	E577-L581 PolarHBondContact O-N 3.4Å; E577-L581 VanDerWaalsContact O-N 3.09Å; L578-L581 PolarHBondContact O-N 3.17Å; L581-E584 WeakPolarHBondContact O-CB 3.36Å; L581-Y585 WeakPolarHBondContact O-CB 3Å; L581-Y585 PolarHBondContact O-N 2.92Å; L581-V643 HydrophobicContact CD2-CG1 4.27Å; L581-L736 HydrophobicContact CD1-CD1 3.55Å; L581-L736 HydrophobicContact CD1-CG 4.33Å; L581-L736 HydrophobicContact CG-CD1 3.85Å; L581-V739 HydrophobicContact CD1-CB 3.88Å; L581-V739 HydrophobicContact CD1-CG1 3.88Å; L581-V739 HydrophobicContact CD1-CG2 3.95Å; L581-V739 HydrophobicContact CD2-CG1 4.31Å
582	Y	54.2	Low	56.4	Low	19 Å²	19	54.1 Å²	54.1	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-48.1	177.1	178.5	-107.6	0	0	0	111.9	L578 L579 L580 E584 Y585 L586 P642	L578-Y582 WeakPolarHBondContact O-CB 3.44Å; L578-Y582 PolarHBondContact O-N 3.44Å; L579-Y582 PolarHBondContact O-N 3.27Å; L580-Y582 VanDerWaalsContact C-N 3.29Å; L580-Y582 PolarHBondContact O-N 2.86Å; Y582-E584 PolarHBondContact O-N 3.32Å; Y582-Y585 PolarHBondContact O-N 3.44Å; Y582-Y585 VanDerWaalsContact O-N 3.11Å; Y582-L586 HydrophobicContact CD1-CD1 3.9Å; Y582-L586 HydrophobicContact CD1-CG 4.3Å; Y582-L586 HydrophobicContact CD2-CG 4.48Å; Y582-L586 HydrophobicContact CE1-CD1 3.2Å; Y582-L586 HydrophobicContact CE1-CG 3.85Å; Y582-L586 HydrophobicContact CE2-CD1 4.23Å; Y582-L586 HydrophobicContact CE2-CD2 4.11Å; Y582-L586 HydrophobicContact CE2-CG 4.02Å; Y582-L586 VanDerWaalsContact CZ-CD1 3.41Å; Y582-L586 WeakPolarHBondContact O-CG 3.39Å; Y582-L586 PolarHBondContact O-N 2.79Å; Y582-P642 HydrophobicContact CD2-CB 4.26Å; Y582-P642 WeakPolarHBondContact CD2-O 3.47Å; Y582-P642 HydrophobicContact CE1-CB 4.46Å; Y582-P642 HydrophobicContact CE2-CB 4.09Å; Y582-P642 WeakPolarHBondContact CE2-O 3.18Å
583	T	55.1	Low	58.2	Low	64 Å²	64	47 Å²	47	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-38.8	177.1	-50.9	0	0	0	0	110.1	L579 L580 A587	L579-T583 VanDerWaalsContact O-CB 3.32Å; L579-T583 WeakPolarHBondContact O-CB 3.37Å; L579-T583 PolarHBondContact O-N 2.8Å; L579-T583 PolarHBondContact O-OG1 2.96Å; L580-T583 PolarHBondContact O-N 2.68Å; T583-A587 WeakPolarHBondContact O-CB 3.4Å; T583-A587 PolarHBondContact O-N 2.86Å
584	E	59.5	Low	59.9	Low	9 Å²	9	45.2 Å²	45.2	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-46.9	172.4	-79.1	172.6	-163.7	0	0	112.5	L580 L581 Y582 L586 A587 V588 N733 P735 L775	L580-E584 VanDerWaalsContact O-CB 3.24Å; L580-E584 WeakPolarHBondContact O-CB 3.42Å; L580-E584 WeakPolarHBondContact O-CG 3.48Å; L580-E584 PolarHBondContact O-N 3.46Å; L581-E584 WeakPolarHBondContact O-CB 3.36Å; Y582-E584 PolarHBondContact O-N 3.32Å; E584-L586 PolarHBondContact O-N 3.43Å; E584-A587 PolarHBondContact O-N 2.82Å; E584-V588 WeakPolarHBondContact O-CG2 3.42Å; E584-V588 PolarHBondContact O-N 2.96Å; E584-N733 WeakPolarHBondContact CB-ND2 3.46Å; E584-P735 WeakPolarHBondContact OE1-CG 3.49Å; E584-P735 WeakPolarHBondContact OE2-CB 3.35Å; E584-P735 WeakPolarHBondContact OE2-CG 3.31Å; E584-L775 HydrophobicContact CG-CD1 3.89Å; E584-L775 HydrophobicContact CG-CD2 4.07Å
585	Y	61.6	Low	61.9	Low	29 Å²	29	38.7 Å²	38.7	11%	0.114	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-42.3	177.3	-172.4	-87.8	0	0	0	111.8	L581 Y582 V588 F589 I678	L581-Y585 WeakPolarHBondContact O-CB 3Å; L581-Y585 PolarHBondContact O-N 2.92Å; Y582-Y585 PolarHBondContact O-N 3.44Å; Y582-Y585 VanDerWaalsContact O-N 3.11Å; Y585-V588 PolarHBondContact O-N 3.41Å; Y585-F589 WeakPolarHBondContact O-CB 3.49Å; Y585-F589 PolarHBondContact O-N 3.36Å; Y585-I678 HydrophobicContact CE2-CD1 4.21Å; Y585-I678 HydrophobicContact CE2-CG1 3.94Å
586	L	66.5	Low	63.7	Low	18 Å²	18	40 Å²	40	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175	-72	-174.3	0	0	0	111.7	Y582 E584 V588 F589 E590 P611 E612	Y582-L586 HydrophobicContact CD1-CD1 3.9Å; Y582-L586 HydrophobicContact CD1-CG 4.3Å; Y582-L586 HydrophobicContact CD2-CG 4.48Å; Y582-L586 HydrophobicContact CE1-CD1 3.2Å; Y582-L586 HydrophobicContact CE1-CG 3.85Å; Y582-L586 HydrophobicContact CE2-CD1 4.23Å; Y582-L586 HydrophobicContact CE2-CD2 4.11Å; Y582-L586 HydrophobicContact CE2-CG 4.02Å; Y582-L586 VanDerWaalsContact CZ-CD1 3.41Å; Y582-L586 WeakPolarHBondContact O-CG 3.39Å; Y582-L586 PolarHBondContact O-N 2.79Å; E584-L586 PolarHBondContact O-N 3.43Å; L586-V588 VanDerWaalsContact C-N 3.34Å; L586-V588 PolarHBondContact O-N 3.25Å; L586-F589 CarbonylContact O-C 3.58Å; L586-F589 WeakPolarHBondContact O-CB 3.21Å; L586-F589 PolarHBondContact O-N 3.34Å; L586-E590 WeakPolarHBondContact O-CG 3.4Å; L586-E590 PolarHBondContact O-N 2.69Å; L586-P611 HydrophobicContact CB-CB 4.13Å; L586-P611 HydrophobicContact CD1-CB 4.06Å; L586-P611 HydrophobicContact CD2-CB 3.77Å; L586-P611 HydrophobicContact CG-CB 4.2Å; L586-E612 HydrophobicContact CD1-CG 4.24Å
587	A	67.9	Low	65.5	Low	21 Å²	21	36 Å²	36	17%	0.174	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-43	176.4	0	0	0	0	0	111.5	T583 E584 F589 E590 N591	T583-A587 WeakPolarHBondContact O-CB 3.4Å; T583-A587 PolarHBondContact O-N 2.86Å; E584-A587 PolarHBondContact O-N 2.82Å; A587-F589 VanDerWaalsContact C-N 3.33Å; A587-F589 PolarHBondContact O-N 2.88Å; A587-E590 WeakPolarHBondContact O-CB 3.43Å; A587-E590 PolarHBondContact O-N 2.8Å; A587-N591 PolarHBondContact O-N 3.35Å; A587-N591 PolarHBondContact O-ND2 3.02Å; A587-N591 VanDerWaalsContact O-ND2 3.14Å; A587-N591 PolarHBondContact O-OD1 3.35Å
588	V	70.2	Confident	66.9	Low	4 Å²	4	28.4 Å²	28.4	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-38.9	175.4	179.6	0	0	0	0	111.1	E584 Y585 L586 N591 A592 I678 M731 N733	E584-V588 WeakPolarHBondContact O-CG2 3.42Å; E584-V588 PolarHBondContact O-N 2.96Å; Y585-V588 PolarHBondContact O-N 3.41Å; L586-V588 VanDerWaalsContact C-N 3.34Å; L586-V588 PolarHBondContact O-N 3.25Å; V588-N591 PolarHBondContact O-N 3.12Å; V588-A592 WeakPolarHBondContact O-CB 3.44Å; V588-A592 PolarHBondContact O-N 2.93Å; V588-I678 HydrophobicContact CB-CD1 4.18Å; V588-I678 HydrophobicContact CG1-CD1 3.41Å; V588-I678 VanDerWaalsContact CG1-CD1 3.41Å; V588-M731 VanDerWaalsContact CG1-CA 3.46Å; V588-M731 HydrophobicContact CG1-CB 4.43Å; V588-M731 VanDerWaalsContact CG1-O 3.31Å; V588-M731 WeakPolarHBondContact CG1-O 3.46Å; V588-N733 HydrophobicContact CG2-CB 3.7Å
589	F	73.7	Confident	68.3	Low	19 Å²	19	29.2 Å²	29.2	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-41.2	174.2	-178.4	-94.8	0	0	0	112.4	Y585 L586 A587 A592 L593 L614 I678 V682 L685	Y585-F589 WeakPolarHBondContact O-CB 3.49Å; Y585-F589 PolarHBondContact O-N 3.36Å; L586-F589 CarbonylContact O-C 3.58Å; L586-F589 WeakPolarHBondContact O-CB 3.21Å; L586-F589 PolarHBondContact O-N 3.34Å; A587-F589 VanDerWaalsContact C-N 3.33Å; A587-F589 PolarHBondContact O-N 2.88Å; F589-A592 PolarHBondContact O-N 3.38Å; F589-L593 HydrophobicContact CE1-CD2 4.31Å; F589-L593 WeakPolarHBondContact O-CB 3.23Å; F589-L593 PolarHBondContact O-N 3.36Å; F589-L614 HydrophobicContact CD1-CD1 4.26Å; F589-L614 HydrophobicContact CE1-CD1 3.81Å; F589-I678 HydrophobicContact CB-CG2 4.37Å; F589-I678 HydrophobicContact CD2-CG2 3.85Å; F589-V682 HydrophobicContact CE2-CG2 4Å; F589-V682 HydrophobicContact CZ-CG2 4.44Å; F589-L685 HydrophobicContact CE1-CD1 3.85Å; F589-L685 HydrophobicContact CZ-CD1 3.57Å; F589-L685 HydrophobicContact CZ-CG 4.38Å
590	E	75.3	Confident	69.9	Low	44 Å²	44	25.6 Å²	25.6	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-46.3	172.5	-74.5	-173.4	138.7	0	0	111.6	L586 A587 A592 L593 A594 Y601 P611	L586-E590 WeakPolarHBondContact O-CG 3.4Å; L586-E590 PolarHBondContact O-N 2.69Å; A587-E590 WeakPolarHBondContact O-CB 3.43Å; A587-E590 PolarHBondContact O-N 2.8Å; E590-A592 VanDerWaalsContact C-N 3.29Å; E590-A592 PolarHBondContact O-N 3.39Å; E590-L593 PolarHBondContact O-N 3.25Å; E590-A594 WeakPolarHBondContact O-CB 3.37Å; E590-A594 PolarHBondContact O-N 3.44Å; E590-Y601 HydrophobicContact CB-CE2 3.96Å; E590-Y601 HydrophobicContact CG-CE2 4.12Å; E590-P611 HydrophobicContact CG-CB 4.4Å; E590-P611 HydrophobicContact CG-CG 3.16Å; E590-P611 WeakPolarHBondContact OE1-CD 3.25Å; E590-P611 WeakPolarHBondContact OE1-CG 3.22Å
591	N	77	Confident	71.3	Confident	31 Å²	31	23.8 Å²	23.8	17%	0.166	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-44.1	178.5	-62.4	-27.3	0	0	0	111	A587 V588 F595 P777	A587-N591 PolarHBondContact O-N 3.35Å; A587-N591 PolarHBondContact O-ND2 3.02Å; A587-N591 VanDerWaalsContact O-ND2 3.14Å; A587-N591 PolarHBondContact O-OD1 3.35Å; V588-N591 PolarHBondContact O-N 3.12Å; N591-F595 WeakPolarHBondContact O-CB 3.47Å; N591-F595 PolarHBondContact O-N 2.93Å; N591-P777 HydrophobicContact CB-CB 4.44Å
592	A	76.6	Confident	72.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-45.1	176.7	0	0	0	0	0	112.1	V588 F589 E590 Y596 I678 V682 I726 M731	V588-A592 WeakPolarHBondContact O-CB 3.44Å; V588-A592 PolarHBondContact O-N 2.93Å; F589-A592 PolarHBondContact O-N 3.38Å; E590-A592 VanDerWaalsContact C-N 3.29Å; E590-A592 PolarHBondContact O-N 3.39Å; A592-Y596 VanDerWaalsContact O-CB 3.24Å; A592-Y596 WeakPolarHBondContact O-CB 3.47Å; A592-Y596 PolarHBondContact O-N 3.1Å; A592-I678 HydrophobicContact CB-CG2 3.52Å; A592-V682 HydrophobicContact CB-CG2 4.25Å; A592-I726 HydrophobicContact CB-CD1 4.16Å; A592-I726 HydrophobicContact CB-CG2 4.49Å; A592-M731 HydrophobicContact CB-CG 4.34Å
593	L	78.3	Confident	73.6	Confident	5 Å²	5	23.8 Å²	23.8	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-44.2	178.2	-178.9	62.6	0	0	0	111.7	F589 E590 F595 Y596 D597 L600 F604 V682 L685	F589-L593 HydrophobicContact CE1-CD2 4.31Å; F589-L593 WeakPolarHBondContact O-CB 3.23Å; F589-L593 PolarHBondContact O-N 3.36Å; E590-L593 PolarHBondContact O-N 3.25Å; L593-F595 VanDerWaalsContact C-N 3.34Å; L593-F595 PolarHBondContact O-N 3.04Å; L593-Y596 PolarHBondContact O-N 3.42Å; L593-D597 HydrophobicContact CD1-CB 4.43Å; L593-D597 CarbonylContact O-C 3.43Å; L593-D597 VanDerWaalsContact O-C 3.24Å; L593-D597 WeakPolarHBondContact O-CA 3.27Å; L593-D597 PolarHBondContact O-N 2.96Å; L593-L600 HydrophobicContact CD1-CD2 4.3Å; L593-F604 HydrophobicContact CD2-CD2 4.01Å; L593-F604 HydrophobicContact CD2-CE2 4.08Å; L593-V682 HydrophobicContact CB-CG2 4.39Å; L593-V682 HydrophobicContact CD1-CG1 4.5Å; L593-L685 HydrophobicContact CD1-CD1 4Å; L593-L685 HydrophobicContact CD2-CD1 3.81Å
594	A	77.6	Confident	74.7	Confident	7 Å²	7	21.1 Å²	21.1	6%	0.058	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-46.5	177.7	0	0	0	0	0	110.6	E590 C598 Y601 A889	E590-A594 WeakPolarHBondContact O-CB 3.37Å; E590-A594 PolarHBondContact O-N 3.44Å; A594-C598 VanDerWaalsContact O-CA 3.24Å; A594-C598 WeakPolarHBondContact O-CA 3.37Å; A594-C598 WeakPolarHBondContact O-CB 3.19Å; A594-C598 PolarHBondContact O-N 3.29Å; A594-C598 VanDerWaalsContact O-N 3.13Å; A594-Y601 HydrophobicContact CB-CD1 3.64Å; A594-Y601 HydrophobicContact CB-CD2 4.05Å; A594-Y601 HydrophobicContact CB-CE1 3.96Å; A594-Y601 HydrophobicContact CB-CE2 4.34Å; A594-Y601 HydrophobicContact CB-CG 3.69Å; A594-A889 HydrophobicContact CB-CB 3.85Å; A594-A889 WeakPolarHBondContact O-CB 3.48Å
595	F	79.6	Confident	75.3	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-41.2	178	-174	-84.5	0	0	0	112.8	N591 L593 V725 I726 P727 L730 Y787 M848	N591-F595 WeakPolarHBondContact O-CB 3.47Å; N591-F595 PolarHBondContact O-N 2.93Å; L593-F595 VanDerWaalsContact C-N 3.34Å; L593-F595 PolarHBondContact O-N 3.04Å; F595-V725 HydrophobicContact CE1-CG1 4.1Å; F595-V725 WeakPolarHBondContact CE1-O 3.24Å; F595-I726 HydrophobicContact CD1-CB 4.39Å; F595-I726 HydrophobicContact CD1-CG1 4.08Å; F595-I726 HydrophobicContact CD1-CG2 4.49Å; F595-P727 HydrophobicContact CD2-CG 4.29Å; F595-P727 HydrophobicContact CE1-CG 4.46Å; F595-P727 HydrophobicContact CE2-CG 3.88Å; F595-P727 HydrophobicContact CZ-CG 3.97Å; F595-L730 HydrophobicContact CB-CD1 4.29Å; F595-L730 HydrophobicContact CD2-CD1 3.91Å; F595-L730 HydrophobicContact CG-CD1 4.24Å; F595-Y787 HydrophobicContact CZ-CE1 4.34Å; F595-M848 HydrophobicContact CD2-SD 4.25Å; F595-M848 HydrophobicContact CE2-CG 4.47Å; F595-M848 HydrophobicContact CE2-SD 3.78Å
596	Y	80.8	Confident	75.9	Confident	55 Å²	55	26 Å²	26	22%	0.216	13%	0.125	C	C	.	.	H	α-helix	trans	-81.1	-44.2	-174.2	-168.7	-101.4	0	0	0	113.5	A592 L593 V682 A722 I726	A592-Y596 VanDerWaalsContact O-CB 3.24Å; A592-Y596 WeakPolarHBondContact O-CB 3.47Å; A592-Y596 PolarHBondContact O-N 3.1Å; L593-Y596 PolarHBondContact O-N 3.42Å; Y596-V682 HydrophobicContact CD1-CG1 3.21Å; Y596-V682 HydrophobicContact CE1-CG1 3.88Å; Y596-V682 HydrophobicContact CG-CG1 3.71Å; Y596-A722 HydrophobicContact CD1-CB 4.49Å; Y596-A722 HydrophobicContact CD2-CB 3.77Å; Y596-A722 HydrophobicContact CE1-CB 4.28Å; Y596-A722 HydrophobicContact CE2-CB 3.57Å; Y596-A722 HydrophobicContact CG-CB 4.23Å; Y596-I726 HydrophobicContact CD2-CD1 4.21Å; Y596-I726 HydrophobicContact CD2-CG1 4.09Å; Y596-I726 HydrophobicContact CG-CD1 4.3Å; Y596-I726 HydrophobicContact CG-CG1 4.49Å
597	D	79.8	Confident	76.5	Confident	15 Å²	15	26.7 Å²	26.7	8%	0.08	13%	0.129	C	C	.	.			trans	-139.9	70.8	178.4	-165.4	-7.8	0	0	0	111.3	L593 Q599 L600 Y601 R689	L593-D597 HydrophobicContact CD1-CB 4.43Å; L593-D597 CarbonylContact O-C 3.43Å; L593-D597 VanDerWaalsContact O-C 3.24Å; L593-D597 WeakPolarHBondContact O-CA 3.27Å; L593-D597 PolarHBondContact O-N 2.96Å; D597-Q599 PolarHBondContact O-N 3.02Å; D597-Q599 VanDerWaalsContact O-N 3.1Å; D597-Q599 PolarHBondContact OD1-N 2.95Å; D597-L600 HydrophobicContact CB-CB 4.17Å; D597-L600 PolarHBondContact O-N 2.99Å; D597-L600 PolarHBondContact OD1-N 3.32Å; D597-Y601 PolarHBondContact O-N 3.13Å; D597-R689 IonicContact OD1-CZ 3.94Å; D597-R689 IonicContact OD1-NE 3.43Å; D597-R689 IonicContact OD1-NH2 3.59Å; D597-R689 PolarHBondContact OD1-NH2 3.02Å; D597-R689 WeakPolarHBondContact OD2-CD 3.31Å; D597-R689 IonicContact OD2-CZ 3.58Å; D597-R689 IonicContact OD2-NE 3.71Å; D597-R689 PolarHBondContact OD2-NE 3.11Å; D597-R689 IonicContact OD2-NH2 2.75Å
598	C	76.3	Confident	76.7	Confident	18 Å²	18	29.6 Å²	29.6	12%	0.122	14%	0.142	C	C	.	.	H	α-helix	trans	-49.5	-32.3	174.6	53.1	0	0	0	0	114.2	A594 N602 Q887	A594-C598 VanDerWaalsContact O-CA 3.24Å; A594-C598 WeakPolarHBondContact O-CA 3.37Å; A594-C598 WeakPolarHBondContact O-CB 3.19Å; A594-C598 PolarHBondContact O-N 3.29Å; A594-C598 VanDerWaalsContact O-N 3.13Å; C598-N602 VanDerWaalsContact O-CB 3.29Å; C598-N602 WeakPolarHBondContact O-CB 3.43Å; C598-N602 PolarHBondContact O-N 3.17Å; C598-N602 PolarHBondContact O-OD1 3.05Å; C598-Q887 WeakPolarHBondContact SG-CA 3.48Å; C598-Q887 PolarHBondContact SG-O 3.36Å
599	Q	77.4	Confident	76.7	Confident	50 Å²	50	29.5 Å²	29.5	23%	0.234	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-46.6	177.3	-83.4	179.1	7.6	0	0	111.7	D597 H603 C886 Q887	D597-Q599 PolarHBondContact O-N 3.02Å; D597-Q599 VanDerWaalsContact O-N 3.1Å; D597-Q599 PolarHBondContact OD1-N 2.95Å; Q599-H603 WeakPolarHBondContact O-CB 3.42Å; Q599-H603 PolarHBondContact O-N 3.41Å; Q599-C886 WeakPolarHBondContact CG-O 3.38Å; Q599-C886 PolarHBondContact NE2-O 3.15Å; Q599-Q887 HydrophobicContact CG-CG 4.46Å
600	L	80.9	Confident	76.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.5	-41.3	178.9	-176.4	57.9	0	0	0	111.1	L593 D597 H603 F604 L685 L692 L693	L593-L600 HydrophobicContact CD1-CD2 4.3Å; D597-L600 HydrophobicContact CB-CB 4.17Å; D597-L600 PolarHBondContact O-N 2.99Å; D597-L600 PolarHBondContact OD1-N 3.32Å; L600-H603 PolarHBondContact O-N 3.46Å; L600-F604 HydrophobicContact CD1-CD1 4.46Å; L600-F604 HydrophobicContact CD1-CE1 3.96Å; L600-F604 HydrophobicContact CD1-CE2 4.34Å; L600-F604 HydrophobicContact CD1-CZ 3.9Å; L600-F604 HydrophobicContact CG-CE2 4.15Å; L600-F604 HydrophobicContact CG-CZ 4.19Å; L600-F604 WeakPolarHBondContact O-CG 3.1Å; L600-F604 PolarHBondContact O-N 2.91Å; L600-L685 HydrophobicContact CD2-CB 3.93Å; L600-L692 HydrophobicContact CD1-CB 3.63Å; L600-L692 HydrophobicContact CD1-CD1 4.23Å; L600-L692 HydrophobicContact CD2-CD1 4.21Å; L600-L693 HydrophobicContact CB-CD2 4.49Å; L600-L693 HydrophobicContact CD1-CD2 4.13Å; L600-L693 HydrophobicContact CD1-CG 4.25Å
601	Y	78	Confident	75.2	Confident	57 Å²	57	30.1 Å²	30.1	22%	0.224	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-51.8	173.6	177.9	-105.2	0	0	0	112	E590 A594 D597 H603 F604 C605	E590-Y601 HydrophobicContact CB-CE2 3.96Å; E590-Y601 HydrophobicContact CG-CE2 4.12Å; A594-Y601 HydrophobicContact CB-CD1 3.64Å; A594-Y601 HydrophobicContact CB-CD2 4.05Å; A594-Y601 HydrophobicContact CB-CE1 3.96Å; A594-Y601 HydrophobicContact CB-CE2 4.34Å; A594-Y601 HydrophobicContact CB-CG 3.69Å; D597-Y601 PolarHBondContact O-N 3.13Å; Y601-H603 VanDerWaalsContact C-N 3.26Å; Y601-H603 PolarHBondContact O-N 3Å; Y601-F604 WeakPolarHBondContact O-CB 3.24Å; Y601-F604 PolarHBondContact O-N 3.49Å; Y601-F604 VanDerWaalsContact O-N 3.11Å; Y601-C605 VanDerWaalsContact CZ-SG 3.53Å; Y601-C605 PolarHBondContact O-N 3.17Å; Y601-C605 PolarHBondContact O-SG 3.39Å; Y601-C605 VanDerWaalsContact O-SG 3.42Å
602	N	74	Confident	73.9	Confident	17 Å²	17	34.1 Å²	34.1	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-33.2	-179.5	-68.1	3.3	0	0	0	111.8	C598 C605 K606 A888	C598-N602 VanDerWaalsContact O-CB 3.29Å; C598-N602 WeakPolarHBondContact O-CB 3.43Å; C598-N602 PolarHBondContact O-N 3.17Å; C598-N602 PolarHBondContact O-OD1 3.05Å; N602-C605 PolarHBondContact O-N 2.97Å; N602-K606 VanDerWaalsContact O-CB 3.3Å; N602-K606 WeakPolarHBondContact O-CB 3.07Å; N602-K606 PolarHBondContact O-N 3.31Å; N602-A888 PolarHBondContact ND2-O 3.49Å
603	H	79.6	Confident	72.3	Confident	32 Å²	32	35.7 Å²	35.7	15%	0.148	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-51	171.8	179.4	71.4	0	0	0	111.3	Q599 L600 Y601 C605 K606 I607 L692 L693 S695	Q599-H603 WeakPolarHBondContact O-CB 3.42Å; Q599-H603 PolarHBondContact O-N 3.41Å; L600-H603 PolarHBondContact O-N 3.46Å; Y601-H603 VanDerWaalsContact C-N 3.26Å; Y601-H603 PolarHBondContact O-N 3Å; H603-C605 VanDerWaalsContact C-N 3.32Å; H603-C605 PolarHBondContact O-N 3.33Å; H603-K606 WeakPolarHBondContact O-CA 3.32Å; H603-K606 WeakPolarHBondContact O-CB 3.44Å; H603-K606 PolarHBondContact O-N 2.99Å; H603-I607 WeakPolarHBondContact O-CG1 3.46Å; H603-I607 PolarHBondContact O-N 2.83Å; H603-L692 PolarHBondContact CD2-O 3.04Å; H603-L692 VanDerWaalsContact CD2-O 3.26Å; H603-L692 PolarHBondContact NE2-O 3.3Å; H603-L693 HydrophobicContact CB-CD2 3.79Å; H603-S695 PolarHBondContact CE1-O 2.8Å; H603-S695 VanDerWaalsContact CE1-O 3.29Å; H603-S695 PolarHBondContact NE2-O 3.27Å
604	F	78.3	Confident	70.9	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-45.4	175.3	-74.5	-13.5	0	0	0	112.4	L593 L600 Y601 K606 I607 N608 F609 L685 L692 F704	L593-F604 HydrophobicContact CD2-CD2 4.01Å; L593-F604 HydrophobicContact CD2-CE2 4.08Å; L600-F604 HydrophobicContact CD1-CD1 4.46Å; L600-F604 HydrophobicContact CD1-CE1 3.96Å; L600-F604 HydrophobicContact CD1-CE2 4.34Å; L600-F604 HydrophobicContact CD1-CZ 3.9Å; L600-F604 HydrophobicContact CG-CE2 4.15Å; L600-F604 HydrophobicContact CG-CZ 4.19Å; L600-F604 WeakPolarHBondContact O-CG 3.1Å; L600-F604 PolarHBondContact O-N 2.91Å; Y601-F604 WeakPolarHBondContact O-CB 3.24Å; Y601-F604 PolarHBondContact O-N 3.49Å; Y601-F604 VanDerWaalsContact O-N 3.11Å; F604-K606 VanDerWaalsContact C-N 3.32Å; F604-K606 PolarHBondContact O-N 3.49Å; F604-I607 HydrophobicContact CD1-CD1 4.32Å; F604-I607 WeakPolarHBondContact O-CG1 3.39Å; F604-I607 PolarHBondContact O-N 2.86Å; F604-N608 PolarHBondContact O-N 3.35Å; F604-N608 VanDerWaalsContact O-N 3.13Å; F604-F609 HydrophobicContact CB-CB 4.49Å; F604-F609 WeakPolarHBondContact CB-O 3.37Å; F604-F609 HydrophobicContact CD1-CB 4.35Å; F604-F609 HydrophobicContact CD1-CD1 4.09Å; F604-F609 HydrophobicContact CE1-CD1 4.21Å; F604-F609 HydrophobicContact CG-CD1 4.35Å; F604-F609 PolarHBondContact O-N 2.63Å; F604-L685 HydrophobicContact CE2-CD1 4.12Å; F604-L692 HydrophobicContact CE1-CB 4.26Å; F604-L692 HydrophobicContact CE1-CD2 4.09Å; F604-L692 HydrophobicContact CZ-CB 4.44Å; F604-L692 HydrophobicContact CZ-CD1 4.05Å; F604-L692 HydrophobicContact CZ-CD2 4.05Å; F604-L692 HydrophobicContact CZ-CG 4.41Å; F604-F704 HydrophobicContact CZ-CE2 4.46Å; F604-F704 HydrophobicContact CZ-CZ 4.23Å
605	C	72.4	Confident	69.2	Low	10 Å²	10	40.5 Å²	40.5	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-41.1	172.6	-71.2	0	0	0	0	112.9	Y601 N602 H603 N608 Y872	Y601-C605 VanDerWaalsContact CZ-SG 3.53Å; Y601-C605 PolarHBondContact O-N 3.17Å; Y601-C605 PolarHBondContact O-SG 3.39Å; Y601-C605 VanDerWaalsContact O-SG 3.42Å; N602-C605 PolarHBondContact O-N 2.97Å; H603-C605 VanDerWaalsContact C-N 3.32Å; H603-C605 PolarHBondContact O-N 3.33Å; C605-N608 PolarHBondContact O-N 3.35Å; C605-Y872 HydrophobicContact CB-CE2 4.01Å; C605-Y872 PolarHBondContact O-OH 3.48Å
606	K	73.3	Confident	67.2	Low	130 Å²	130	41.9 Å²	41.9	57%	0.565	20%	0.202	S	C	*	.	H	α-helix	trans	-66.9	-39.2	179.4	178.8	-176.8	177.8	180	0	112.4	N602 H603 F604 N608 A879	N602-K606 VanDerWaalsContact O-CB 3.3Å; N602-K606 WeakPolarHBondContact O-CB 3.07Å; N602-K606 PolarHBondContact O-N 3.31Å; H603-K606 WeakPolarHBondContact O-CA 3.32Å; H603-K606 WeakPolarHBondContact O-CB 3.44Å; H603-K606 PolarHBondContact O-N 2.99Å; F604-K606 VanDerWaalsContact C-N 3.32Å; F604-K606 PolarHBondContact O-N 3.49Å; K606-N608 VanDerWaalsContact C-N 3.26Å; K606-A879 HydrophobicContact CD-CB 4.44Å
607	I	78.5	Confident	65.3	Low	32 Å²	32	40.1 Å²	40.1	16%	0.164	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.3	179	63.8	161.6	0	0	0	112.9	H603 F604 F609 F697	H603-I607 WeakPolarHBondContact O-CG1 3.46Å; H603-I607 PolarHBondContact O-N 2.83Å; F604-I607 HydrophobicContact CD1-CD1 4.32Å; F604-I607 WeakPolarHBondContact O-CG1 3.39Å; F604-I607 PolarHBondContact O-N 2.86Å; I607-F609 HydrophobicContact CD1-CB 3.46Å; I607-F609 VanDerWaalsContact CD1-CB 3.46Å; I607-F609 HydrophobicContact CD1-CD2 4.49Å; I607-F609 HydrophobicContact CD1-CG 4.12Å; I607-F609 HydrophobicContact CG1-CB 3.51Å; I607-F609 PolarHBondContact O-N 3.47Å; I607-F697 WeakPolarHBondContact O-CD2 3.27Å
608	N	73.9	Confident	63.5	Low	83 Å²	83	40.2 Å²	40.2	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	32.1	-172.8	-60.9	-34.5	0	0	0	113.1	F604 C605 K606 H610	F604-N608 PolarHBondContact O-N 3.35Å; F604-N608 VanDerWaalsContact O-N 3.13Å; C605-N608 PolarHBondContact O-N 3.35Å; K606-N608 VanDerWaalsContact C-N 3.26Å; N608-H610 VanDerWaalsContact C-N 3.31Å; N608-H610 PolarHBondContact O-N 3.22Å
609	F	69.4	Low	61.6	Low	1 Å²	1	44.1 Å²	44.1	0%	0.004	21%	0.213	C	C	.	.			trans	-91.5	71.8	176.1	-163.4	-87.8	0	0	0	108.7	F604 I607 V613 L614 F697 C700 I701 F704	F604-F609 HydrophobicContact CB-CB 4.49Å; F604-F609 WeakPolarHBondContact CB-O 3.37Å; F604-F609 HydrophobicContact CD1-CB 4.35Å; F604-F609 HydrophobicContact CD1-CD1 4.09Å; F604-F609 HydrophobicContact CE1-CD1 4.21Å; F604-F609 HydrophobicContact CG-CD1 4.35Å; F604-F609 PolarHBondContact O-N 2.63Å; I607-F609 HydrophobicContact CD1-CB 3.46Å; I607-F609 VanDerWaalsContact CD1-CB 3.46Å; I607-F609 HydrophobicContact CD1-CD2 4.49Å; I607-F609 HydrophobicContact CD1-CG 4.12Å; I607-F609 HydrophobicContact CG1-CB 3.51Å; I607-F609 PolarHBondContact O-N 3.47Å; F609-V613 HydrophobicContact CD2-CB 4.28Å; F609-V613 HydrophobicContact CD2-CG1 3.81Å; F609-V613 HydrophobicContact CE1-CB 4.48Å; F609-V613 HydrophobicContact CE1-CG1 4.5Å; F609-V613 HydrophobicContact CE2-CB 4.1Å; F609-V613 HydrophobicContact CE2-CG1 3.36Å; F609-V613 HydrophobicContact CZ-CB 4.17Å; F609-V613 HydrophobicContact CZ-CG1 3.73Å; F609-L614 HydrophobicContact CE1-CD2 3.79Å; F609-L614 HydrophobicContact CE1-CG 4.27Å; F609-F697 HydrophobicContact CB-CD2 4.2Å; F609-F697 AromaticContact CD2-CD2 3.73Å; F609-F697 HydrophobicContact CD2-CD2 3.73Å; F609-F697 AromaticContact CD2-CE2 3.96Å; F609-F697 HydrophobicContact CD2-CE2 3.96Å; F609-F697 HydrophobicContact CD2-CG 4.41Å; F609-F697 HydrophobicContact CG-CD2 4.46Å; F609-C700 HydrophobicContact CD2-CB 3.71Å; F609-C700 HydrophobicContact CE1-CB 4.4Å; F609-C700 HydrophobicContact CE2-CB 3.55Å; F609-C700 HydrophobicContact CG-CB 4.23Å; F609-C700 HydrophobicContact CZ-CB 3.95Å; F609-I701 HydrophobicContact CE2-CG1 3.83Å; F609-F704 HydrophobicContact CD1-CE2 4.36Å; F609-F704 AromaticContact CE1-CD2 3.79Å; F609-F704 HydrophobicContact CE1-CD2 3.79Å; F609-F704 AromaticContact CE1-CE2 3.37Å; F609-F704 HydrophobicContact CE1-CE2 3.37Å; F609-F704 HydrophobicContact CE1-CZ 4.43Å; F609-F704 HydrophobicContact CE2-CD2 4.49Å; F609-F704 AromaticContact CZ-CD2 3.48Å; F609-F704 HydrophobicContact CZ-CD2 3.48Å; F609-F704 VanDerWaalsContact CZ-CD2 3.48Å; F609-F704 AromaticContact CZ-CE2 3.58Å; F609-F704 HydrophobicContact CZ-CE2 3.58Å
610	H	64	Low	59.6	Low	65 Å²	65	44.7 Å²	44.7	30%	0.301	22%	0.215	S	C	.	.			trans	-70.1	157.6	178.4	-67.5	-73.5	0	0	0	111	N608 E612 V613 L614	N608-H610 VanDerWaalsContact C-N 3.31Å; N608-H610 PolarHBondContact O-N 3.22Å; H610-E612 PolarHBondContact O-N 3.42Å; H610-E612 VanDerWaalsContact O-N 3.08Å; H610-V613 WeakPolarHBondContact O-CA 3.45Å; H610-V613 VanDerWaalsContact O-CB 3.22Å; H610-V613 WeakPolarHBondContact O-CB 3.46Å; H610-V613 PolarHBondContact O-N 3.13Å; H610-L614 PolarHBondContact O-N 2.77Å
611	P	53.7	Low	57.4	Low	11 Å²	11	46 Å²	46	7%	0.071	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.7	177.4	-18.3	24.4	0	0	0	114.3	L586 E590 V613 L614	L586-P611 HydrophobicContact CB-CB 4.13Å; L586-P611 HydrophobicContact CD1-CB 4.06Å; L586-P611 HydrophobicContact CD2-CB 3.77Å; L586-P611 HydrophobicContact CG-CB 4.2Å; E590-P611 HydrophobicContact CG-CB 4.4Å; E590-P611 HydrophobicContact CG-CG 3.16Å; E590-P611 WeakPolarHBondContact OE1-CD 3.25Å; E590-P611 WeakPolarHBondContact OE1-CG 3.22Å; P611-V613 PolarHBondContact O-N 3.34Å; P611-L614 HydrophobicContact CB-CD1 3.81Å; P611-L614 HydrophobicContact CB-CG 4.45Å; P611-L614 VanDerWaalsContact O-CA 3.28Å; P611-L614 WeakPolarHBondContact O-CA 3.34Å; P611-L614 WeakPolarHBondContact O-CB 3.4Å; P611-L614 PolarHBondContact O-N 3.31Å
612	E	49.9	Very low	55.4	Low	116 Å²	116	43.9 Å²	43.9	54%	0.542	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.9	169.4	-63.4	149.3	171	0	0	110.9	L586 H610 Q615	L586-E612 HydrophobicContact CD1-CG 4.24Å; H610-E612 PolarHBondContact O-N 3.42Å; H610-E612 VanDerWaalsContact O-N 3.08Å; E612-Q615 WeakPolarHBondContact O-CB 3.47Å; E612-Q615 VanDerWaalsContact O-CD 3.27Å; E612-Q615 WeakPolarHBondContact O-CG 3.38Å; E612-Q615 PolarHBondContact O-N 3Å; E612-Q615 VanDerWaalsContact O-N 3.11Å
613	V	43.2	Very low	53.3	Low	33 Å²	33	45.9 Å²	45.9	20%	0.2	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.1	171.4	-167.3	0	0	0	0	111.9	F609 H610 P611 Q615 V616 F697 I701	F609-V613 HydrophobicContact CD2-CB 4.28Å; F609-V613 HydrophobicContact CD2-CG1 3.81Å; F609-V613 HydrophobicContact CE1-CB 4.48Å; F609-V613 HydrophobicContact CE1-CG1 4.5Å; F609-V613 HydrophobicContact CE2-CB 4.1Å; F609-V613 HydrophobicContact CE2-CG1 3.36Å; F609-V613 HydrophobicContact CZ-CB 4.17Å; F609-V613 HydrophobicContact CZ-CG1 3.73Å; H610-V613 WeakPolarHBondContact O-CA 3.45Å; H610-V613 VanDerWaalsContact O-CB 3.22Å; H610-V613 WeakPolarHBondContact O-CB 3.46Å; H610-V613 PolarHBondContact O-N 3.13Å; P611-V613 PolarHBondContact O-N 3.34Å; V613-Q615 PolarHBondContact O-N 2.73Å; V613-Q615 VanDerWaalsContact O-N 3.1Å; V613-V616 HydrophobicContact CG1-CG2 4.29Å; V613-V616 VanDerWaalsContact O-CB 3.25Å; V613-V616 WeakPolarHBondContact O-CB 3.46Å; V613-V616 VanDerWaalsContact O-CG2 3.29Å; V613-V616 WeakPolarHBondContact O-CG2 3.21Å; V613-V616 PolarHBondContact O-N 3.12Å; V613-F697 HydrophobicContact CG1-CE2 4.02Å; V613-F697 HydrophobicContact CG1-CZ 4.02Å; V613-F697 HydrophobicContact CG2-CE2 4.04Å; V613-F697 HydrophobicContact CG2-CZ 4.35Å; V613-I701 HydrophobicContact CG1-CD1 4.45Å; V613-I701 HydrophobicContact CG1-CG1 4.27Å
614	L	47.5	Very low	50.9	Low	16 Å²	16	46.5 Å²	46.5	8%	0.084	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-4.4	161.3	-57.6	165.1	0	0	0	111.4	F589 F609 H610 P611 V616 L617 H618 F704	F589-L614 HydrophobicContact CD1-CD1 4.26Å; F589-L614 HydrophobicContact CE1-CD1 3.81Å; F609-L614 HydrophobicContact CE1-CD2 3.79Å; F609-L614 HydrophobicContact CE1-CG 4.27Å; H610-L614 PolarHBondContact O-N 2.77Å; P611-L614 HydrophobicContact CB-CD1 3.81Å; P611-L614 HydrophobicContact CB-CG 4.45Å; P611-L614 VanDerWaalsContact O-CA 3.28Å; P611-L614 WeakPolarHBondContact O-CA 3.34Å; P611-L614 WeakPolarHBondContact O-CB 3.4Å; P611-L614 PolarHBondContact O-N 3.31Å; L614-V616 PolarHBondContact O-N 2.74Å; L614-V616 VanDerWaalsContact O-N 3.14Å; L614-L617 HydrophobicContact CB-CD1 4.19Å; L614-L617 HydrophobicContact CD2-CD1 3.41Å; L614-L617 VanDerWaalsContact CD2-CD1 3.41Å; L614-L617 HydrophobicContact CD2-CG 4.1Å; L614-L617 HydrophobicContact CG-CD1 4.3Å; L614-L617 VanDerWaalsContact O-CB 3.25Å; L614-L617 WeakPolarHBondContact O-CB 3.33Å; L614-L617 PolarHBondContact O-N 3.33Å; L614-H618 PolarHBondContact O-N 3.4Å; L614-F704 HydrophobicContact CD2-CD2 4.46Å; L614-F704 HydrophobicContact CD2-CE1 4.37Å; L614-F704 HydrophobicContact CD2-CE2 3.82Å; L614-F704 HydrophobicContact CD2-CZ 3.71Å
615	Q	41.9	Very low	48.6	Very low	96 Å²	96	47.6 Å²	47.6	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-51.7	-28	157.5	-78.2	174.9	21.7	0	0	112	E612 V613 H618 H619	E612-Q615 WeakPolarHBondContact O-CB 3.47Å; E612-Q615 VanDerWaalsContact O-CD 3.27Å; E612-Q615 WeakPolarHBondContact O-CG 3.38Å; E612-Q615 PolarHBondContact O-N 3Å; E612-Q615 VanDerWaalsContact O-N 3.11Å; V613-Q615 PolarHBondContact O-N 2.73Å; V613-Q615 VanDerWaalsContact O-N 3.1Å; Q615-H618 CarbonylContact O-C 3.58Å; Q615-H618 WeakPolarHBondContact O-CA 3.36Å; Q615-H618 WeakPolarHBondContact O-CB 3.23Å; Q615-H618 PolarHBondContact O-N 3.35Å; Q615-H618 VanDerWaalsContact O-N 3.17Å; Q615-H619 WeakPolarHBondContact O-CB 3.29Å; Q615-H619 PolarHBondContact O-N 3.4Å
616	V	39.1	Very low	46.5	Very low	34 Å²	34	49.1 Å²	49.1	21%	0.206	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-40	174.9	174.9	0	0	0	0	111.7	V613 L614 H618 H619 F620 I701 F704	V613-V616 HydrophobicContact CG1-CG2 4.29Å; V613-V616 VanDerWaalsContact O-CB 3.25Å; V613-V616 WeakPolarHBondContact O-CB 3.46Å; V613-V616 VanDerWaalsContact O-CG2 3.29Å; V613-V616 WeakPolarHBondContact O-CG2 3.21Å; V613-V616 PolarHBondContact O-N 3.12Å; L614-V616 PolarHBondContact O-N 2.74Å; L614-V616 VanDerWaalsContact O-N 3.14Å; V616-H618 PolarHBondContact O-N 3.08Å; V616-H619 PolarHBondContact O-N 3.44Å; V616-F620 WeakPolarHBondContact O-CB 3.27Å; V616-F620 PolarHBondContact O-N 2.74Å; V616-I701 HydrophobicContact CG1-CG2 4.05Å; V616-I701 HydrophobicContact CG2-CG1 4.48Å; V616-I701 HydrophobicContact CG2-CG2 4.39Å; V616-F704 HydrophobicContact CG1-CB 4.12Å
617	L	39.7	Very low	44.2	Very low	18 Å²	18	46 Å²	46	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-46.6	168.8	-88.9	176.3	0	0	0	109.3	L614 F621 L648 F704 I707	L614-L617 HydrophobicContact CB-CD1 4.19Å; L614-L617 HydrophobicContact CD2-CD1 3.41Å; L614-L617 VanDerWaalsContact CD2-CD1 3.41Å; L614-L617 HydrophobicContact CD2-CG 4.1Å; L614-L617 HydrophobicContact CG-CD1 4.3Å; L614-L617 VanDerWaalsContact O-CB 3.25Å; L614-L617 WeakPolarHBondContact O-CB 3.33Å; L614-L617 PolarHBondContact O-N 3.33Å; L617-F621 HydrophobicContact CB-CD2 4.46Å; L617-F621 HydrophobicContact CD2-CD2 4.17Å; L617-F621 HydrophobicContact CD2-CE2 3.74Å; L617-F621 WeakPolarHBondContact O-CB 3.33Å; L617-F621 WeakPolarHBondContact O-CD2 3.16Å; L617-F621 PolarHBondContact O-N 2.88Å; L617-L648 HydrophobicContact CB-CD1 4.39Å; L617-F704 HydrophobicContact CD1-CD1 3.88Å; L617-F704 HydrophobicContact CD1-CE1 3.64Å; L617-F704 HydrophobicContact CD1-CG 4.48Å; L617-F704 HydrophobicContact CD1-CZ 4.17Å; L617-F704 HydrophobicContact CD2-CB 3.91Å; L617-F704 HydrophobicContact CD2-CD1 2.98Å; L617-F704 HydrophobicContact CD2-CE1 3.54Å; L617-F704 HydrophobicContact CD2-CG 3.69Å; L617-F704 HydrophobicContact CG-CB 3.98Å; L617-F704 HydrophobicContact CG-CD1 3.28Å; L617-F704 HydrophobicContact CG-CD2 4.37Å; L617-F704 HydrophobicContact CG-CE1 3.62Å; L617-F704 HydrophobicContact CG-CG 3.63Å; L617-F704 HydrophobicContact CG-CZ 4.33Å; L617-I707 HydrophobicContact CD2-CD1 3.3Å; L617-I707 HydrophobicContact CD2-CG1 4.11Å
618	H	42.9	Very low	41.8	Very low	17 Å²	17	49.5 Å²	49.5	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-47.1	-178	169.9	-126.3	0	0	0	113.8	L614 Q615 V616 F620 S622 V640 C641 P642	L614-H618 PolarHBondContact O-N 3.4Å; Q615-H618 CarbonylContact O-C 3.58Å; Q615-H618 WeakPolarHBondContact O-CA 3.36Å; Q615-H618 WeakPolarHBondContact O-CB 3.23Å; Q615-H618 PolarHBondContact O-N 3.35Å; Q615-H618 VanDerWaalsContact O-N 3.17Å; V616-H618 PolarHBondContact O-N 3.08Å; H618-F620 VanDerWaalsContact C-N 3.28Å; H618-F620 PolarHBondContact O-N 3Å; H618-S622 PolarHBondContact O-N 3.03Å; H618-V640 PolarHBondContact CE1-O 2.85Å; H618-V640 VanDerWaalsContact CE1-O 3.23Å; H618-C641 PolarHBondContact CE1-O 2.84Å; H618-C641 PolarHBondContact NE2-O 3.25Å; H618-P642 WeakPolarHBondContact CE1-CA 3.16Å; H618-P642 VanDerWaalsContact CE1-N 3.29Å
619	H	35.1	Very low	39.7	Very low	99 Å²	99	47.2 Å²	47.2	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-35.7	179.1	-157.2	81.6	0	0	0	111.1	Q615 V616 S622 H623	Q615-H619 WeakPolarHBondContact O-CB 3.29Å; Q615-H619 PolarHBondContact O-N 3.4Å; V616-H619 PolarHBondContact O-N 3.44Å; H619-S622 WeakPolarHBondContact O-CB 3.42Å; H619-H623 AromaticContact CD2-CD2 3.7Å; H619-H623 AromaticContact CD2-NE2 3.71Å; H619-H623 AromaticContact NE2-NE2 3.59Å; H619-H623 PolarHBondContact O-CD2 2.75Å; H619-H623 PolarHBondContact O-N 2.81Å
620	F	36.8	Very low	37.6	Very low	63 Å²	63	50.8 Å²	50.8	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-86.2	-36.4	-178.7	-150.2	-82.3	0	0	0	114.1	V616 H618 S622 H623 T624 S705	V616-F620 WeakPolarHBondContact O-CB 3.27Å; V616-F620 PolarHBondContact O-N 2.74Å; H618-F620 VanDerWaalsContact C-N 3.28Å; H618-F620 PolarHBondContact O-N 3Å; F620-S622 CarbonylContact O-C 3.48Å; F620-S622 PolarHBondContact O-N 3.24Å; F620-H623 HydrophobicContact CD1-CB 4.41Å; F620-H623 HydrophobicContact CD2-CB 4.18Å; F620-H623 HydrophobicContact CE1-CB 4.4Å; F620-H623 HydrophobicContact CE2-CB 4.2Å; F620-H623 HydrophobicContact CG-CB 4.29Å; F620-H623 HydrophobicContact CZ-CB 4.31Å; F620-H623 CarbonylContact O-C 3.09Å; F620-H623 VanDerWaalsContact O-CA 3.3Å; F620-H623 WeakPolarHBondContact O-CA 3.38Å; F620-H623 PolarHBondContact O-N 2.81Å; F620-T624 WeakPolarHBondContact CD1-OG1 3.17Å; F620-T624 PolarHBondContact O-N 3.25Å; F620-T624 PolarHBondContact O-OG1 3.37Å; F620-S705 WeakPolarHBondContact CD1-O 3.41Å; F620-S705 WeakPolarHBondContact CD2-O 3.37Å; F620-S705 WeakPolarHBondContact CE1-O 3.37Å; F620-S705 WeakPolarHBondContact CE2-O 3.29Å; F620-S705 VanDerWaalsContact CG-CA 3.49Å; F620-S705 WeakPolarHBondContact CG-O 3.43Å; F620-S705 WeakPolarHBondContact CZ-O 3.33Å
621	F	35.1	Very low	36	Very low	27 Å²	27	53.7 Å²	53.7	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-33.1	170	-85.6	-64.8	0	0	0	110.6	L617 T624 V625 L648 H652 I707	L617-F621 HydrophobicContact CB-CD2 4.46Å; L617-F621 HydrophobicContact CD2-CD2 4.17Å; L617-F621 HydrophobicContact CD2-CE2 3.74Å; L617-F621 WeakPolarHBondContact O-CB 3.33Å; L617-F621 WeakPolarHBondContact O-CD2 3.16Å; L617-F621 PolarHBondContact O-N 2.88Å; F621-T624 PolarHBondContact O-N 2.97Å; F621-V625 WeakPolarHBondContact O-CG2 3.39Å; F621-V625 PolarHBondContact O-N 2.97Å; F621-L648 HydrophobicContact CB-CD2 3.23Å; F621-L648 HydrophobicContact CD1-CD2 4.41Å; F621-L648 HydrophobicContact CD2-CB 4.39Å; F621-L648 HydrophobicContact CD2-CD1 3.63Å; F621-L648 HydrophobicContact CD2-CD2 3.16Å; F621-L648 HydrophobicContact CD2-CG 3.9Å; F621-L648 HydrophobicContact CE2-CB 4.44Å; F621-L648 HydrophobicContact CE2-CD1 3.81Å; F621-L648 HydrophobicContact CE2-CD2 3.99Å; F621-L648 HydrophobicContact CE2-CG 4.3Å; F621-L648 HydrophobicContact CG-CD2 3.39Å; F621-L648 HydrophobicContact CG-CG 4.5Å; F621-H652 AromaticContact CD1-CD2 3.46Å; F621-H652 VanDerWaalsContact CD1-CD2 3.46Å; F621-H652 WeakPolarHBondContact CD1-CD2 3.35Å; F621-H652 AromaticContact CD1-NE2 3.48Å; F621-H652 WeakPolarHBondContact CD1-NE2 3.24Å; F621-H652 PolarHBondContact O-NE2 3.37Å; F621-I707 HydrophobicContact CD1-CD1 4.17Å; F621-I707 HydrophobicContact CD2-CD1 3.67Å; F621-I707 HydrophobicContact CE1-CD1 3.69Å; F621-I707 HydrophobicContact CE2-CD1 3.15Å; F621-I707 HydrophobicContact CG-CD1 4.19Å; F621-I707 HydrophobicContact CZ-CD1 3.17Å; F621-I707 HydrophobicContact CZ-CG1 4.48Å; F621-I707 HydrophobicContact CZ-CG2 4.48Å
622	S	35.2	Very low	34.9	Very low	13 Å²	13	58.4 Å²	58.4	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-46.7	165.8	-178.9	0	0	0	0	112.5	H618 H619 F620 T624 V625 Q626	H618-S622 PolarHBondContact O-N 3.03Å; H619-S622 WeakPolarHBondContact O-CB 3.42Å; F620-S622 CarbonylContact O-C 3.48Å; F620-S622 PolarHBondContact O-N 3.24Å; S622-T624 PolarHBondContact O-N 3.34Å; S622-V625 WeakPolarHBondContact O-CB 3.16Å; S622-V625 PolarHBondContact O-N 3.17Å; S622-Q626 WeakPolarHBondContact O-CG 3.45Å; S622-Q626 PolarHBondContact O-N 2.82Å
623	H	29	Very low	33.7	Very low	58 Å²	58	60 Å²	60	27%	0.269	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-28.5	175	-81.1	-64.1	0	0	0	115.3	H619 F620 Q626 S627	H619-H623 AromaticContact CD2-CD2 3.7Å; H619-H623 AromaticContact CD2-NE2 3.71Å; H619-H623 AromaticContact NE2-NE2 3.59Å; H619-H623 PolarHBondContact O-CD2 2.75Å; H619-H623 PolarHBondContact O-N 2.81Å; F620-H623 HydrophobicContact CD1-CB 4.41Å; F620-H623 HydrophobicContact CD2-CB 4.18Å; F620-H623 HydrophobicContact CE1-CB 4.4Å; F620-H623 HydrophobicContact CE2-CB 4.2Å; F620-H623 HydrophobicContact CG-CB 4.29Å; F620-H623 HydrophobicContact CZ-CB 4.31Å; F620-H623 CarbonylContact O-C 3.09Å; F620-H623 VanDerWaalsContact O-CA 3.3Å; F620-H623 WeakPolarHBondContact O-CA 3.38Å; F620-H623 PolarHBondContact O-N 2.81Å; H623-Q626 PolarHBondContact CE1-OE1 2.92Å; H623-Q626 VanDerWaalsContact CE1-OE1 3.26Å; H623-Q626 PolarHBondContact ND1-OE1 2.61Å; H623-Q626 CarbonylContact O-C 3.51Å; H623-Q626 WeakPolarHBondContact O-CA 3.37Å; H623-Q626 WeakPolarHBondContact O-CB 3.49Å; H623-Q626 PolarHBondContact O-N 3.34Å; H623-S627 PolarHBondContact O-N 2.65Å; H623-S627 PolarHBondContact O-OG 3.1Å
624	T	29.7	Very low	32.7	Very low	45 Å²	45	64.6 Å²	64.6	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-36.3	172.6	-36.3	0	0	0	0	110.4	F620 F621 S622 Q626 S627 I628	F620-T624 WeakPolarHBondContact CD1-OG1 3.17Å; F620-T624 PolarHBondContact O-N 3.25Å; F620-T624 PolarHBondContact O-OG1 3.37Å; F621-T624 PolarHBondContact O-N 2.97Å; S622-T624 PolarHBondContact O-N 3.34Å; T624-Q626 VanDerWaalsContact C-N 3.31Å; T624-S627 WeakPolarHBondContact CA-OG 3.4Å; T624-S627 PolarHBondContact O-N 3.33Å; T624-S627 PolarHBondContact O-OG 2.86Å; T624-I628 WeakPolarHBondContact O-CG1 3.5Å; T624-I628 PolarHBondContact O-N 3.25Å
625	V	31.1	Very low	31.6	Very low	33 Å²	33	69 Å²	69	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-43.7	165.4	177.5	0	0	0	0	109.8	F621 S622 S627 I628 S629 H652	F621-V625 WeakPolarHBondContact O-CG2 3.39Å; F621-V625 PolarHBondContact O-N 2.97Å; S622-V625 WeakPolarHBondContact O-CB 3.16Å; S622-V625 PolarHBondContact O-N 3.17Å; V625-S627 VanDerWaalsContact C-N 3.35Å; V625-S627 PolarHBondContact O-N 2.78Å; V625-I628 PolarHBondContact O-N 2.74Å; V625-S629 WeakPolarHBondContact O-CB 3.38Å; V625-S629 PolarHBondContact O-N 3.17Å; V625-H652 VanDerWaalsContact CG2-NE2 3.31Å; V625-H652 WeakPolarHBondContact CG2-NE2 3.5Å
626	Q	27.5	Very low	30.6	Very low	41 Å²	41	69.7 Å²	69.7	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-30.7	177.3	-70.8	-177	-2.8	0	0	113.6	S622 H623 T624 S629 A630 F637	S622-Q626 WeakPolarHBondContact O-CG 3.45Å; S622-Q626 PolarHBondContact O-N 2.82Å; H623-Q626 PolarHBondContact CE1-OE1 2.92Å; H623-Q626 VanDerWaalsContact CE1-OE1 3.26Å; H623-Q626 PolarHBondContact ND1-OE1 2.61Å; H623-Q626 CarbonylContact O-C 3.51Å; H623-Q626 WeakPolarHBondContact O-CA 3.37Å; H623-Q626 WeakPolarHBondContact O-CB 3.49Å; H623-Q626 PolarHBondContact O-N 3.34Å; T624-Q626 VanDerWaalsContact C-N 3.31Å; Q626-S629 CarbonylContact O-C 3.42Å; Q626-S629 PolarHBondContact O-N 2.97Å; Q626-S629 PolarHBondContact O-OG 3.41Å; Q626-A630 WeakPolarHBondContact O-CA 3.26Å; Q626-A630 WeakPolarHBondContact O-CB 3.47Å; Q626-A630 PolarHBondContact O-N 3.49Å; Q626-F637 PolarHBondContact NE2-O 2.79Å
627	S	25.5	Very low	30	Very low	66 Å²	66	72.4 Å²	72.4	46%	0.462	40%	0.401	S	S	.	.	H	α-helix	trans	-82	-28	179.3	30.1	0	0	0	0	111.9	H623 T624 V625 S629 A630	H623-S627 PolarHBondContact O-N 2.65Å; H623-S627 PolarHBondContact O-OG 3.1Å; T624-S627 WeakPolarHBondContact CA-OG 3.4Å; T624-S627 PolarHBondContact O-N 3.33Å; T624-S627 PolarHBondContact O-OG 2.86Å; V625-S627 VanDerWaalsContact C-N 3.35Å; V625-S627 PolarHBondContact O-N 2.78Å; S627-S629 VanDerWaalsContact C-N 3.34Å; S627-A630 PolarHBondContact O-N 2.99Å
628	I	28.2	Very low	29.3	Very low	104 Å²	104	76.9 Å²	76.9	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-70.4	-32.8	164.3	-64	171.7	0	0	0	110.5	T624 V625 V656	T624-I628 WeakPolarHBondContact O-CG1 3.5Å; T624-I628 PolarHBondContact O-N 3.25Å; V625-I628 PolarHBondContact O-N 2.74Å; I628-V656 HydrophobicContact CD1-CG2 4.37Å
629	S	29.7	Very low	28.6	Very low	35 Å²	35	81.4 Å²	81.4	25%	0.245	45%	0.45	C	S	.	.	H	α-helix	trans	-83.3	-16.2	173.3	95.9	0	0	0	0	114.1	V625 Q626 S627 V631 R632	V625-S629 WeakPolarHBondContact O-CB 3.38Å; V625-S629 PolarHBondContact O-N 3.17Å; Q626-S629 CarbonylContact O-C 3.42Å; Q626-S629 PolarHBondContact O-N 2.97Å; Q626-S629 PolarHBondContact O-OG 3.41Å; S627-S629 VanDerWaalsContact C-N 3.34Å; S629-V631 PolarHBondContact O-N 3.15Å; S629-R632 CarbonylContact O-C 3.48Å; S629-R632 WeakPolarHBondContact O-CA 3.4Å; S629-R632 WeakPolarHBondContact O-CB 3.3Å; S629-R632 PolarHBondContact O-N 2.83Å
630	A	24.7	Very low	28.2	Very low	76 Å²	76	78.5 Å²	78.5	63%	0.628	44%	0.439	S	S	*	.	H	α-helix	trans	-72.4	-19.3	-178.8	0	0	0	0	0	111.5	Q626 S627 R632	Q626-A630 WeakPolarHBondContact O-CA 3.26Å; Q626-A630 WeakPolarHBondContact O-CB 3.47Å; Q626-A630 PolarHBondContact O-N 3.49Å; S627-A630 PolarHBondContact O-N 2.99Å; A630-R632 PolarHBondContact O-N 2.85Å
631	V	30.4	Very low	28	Very low	127 Å²	127	75.7 Å²	75.7	77%	0.77	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.4	164.4	-173	0	0	0	0	111.5	S629	S629-V631 PolarHBondContact O-N 3.15Å
632	R	30.1	Very low	27.9	Very low	110 Å²	110	75.8 Å²	75.8	42%	0.415	43%	0.431	S	S	.	.	S	Bend	trans	-136.9	66.1	-174	-65	-180	173.6	-178.4	-3.2	111.7	S629 A630	S629-R632 CarbonylContact O-C 3.48Å; S629-R632 WeakPolarHBondContact O-CA 3.4Å; S629-R632 WeakPolarHBondContact O-CB 3.3Å; S629-R632 PolarHBondContact O-N 2.83Å; A630-R632 PolarHBondContact O-N 2.85Å
633	N	25	Very low	27.8	Very low	149 Å²	149	76.3 Å²	76.3	80%	0.797	43%	0.433	S	S	*	.			trans	47.4	91.6	157.9	-67.8	-17	0	0	0	118.1
634	T	22.2	Very low	28.4	Very low	129 Å²	129	74.4 Å²	74.4	79%	0.791	43%	0.426	S	S	*	.			trans	38.8	95.4	139.3	34.7	0	0	0	0	119.2
635	V	24.1	Very low	28.7	Very low	108 Å²	108	73.5 Å²	73.5	66%	0.655	43%	0.426	S	S	*	.				-146.8	130.7	122.1	176.7	0	0	0	0	106.7	F637	V635-F637 HydrophobicContact CB-CE2 4Å; V635-F637 HydrophobicContact CB-CZ 4.09Å; V635-F637 HydrophobicContact CG1-CE1 4.31Å; V635-F637 HydrophobicContact CG1-CE2 4.29Å; V635-F637 HydrophobicContact CG1-CZ 4.08Å; V635-F637 VanDerWaalsContact O-CD2 3.27Å; V635-F637 WeakPolarHBondContact O-CD2 3.44Å; V635-F637 PolarHBondContact O-N 3.26Å
636	V	22	Very low	29.4	Very low	112 Å²	112	72.4 Å²	72.4	68%	0.679	42%	0.42	S	S	*	.			trans	-77.8	114.7	180	179.2	0	0	0	0	108.4
637	F	26.8	Very low	30.3	Very low	90 Å²	90	71.5 Å²	71.5	40%	0.395	42%	0.415	S	S	.	.			trans	-104	82.8	178.5	-66.9	-78.7	0	0	0	109.6	Q626 V635	Q626-F637 PolarHBondContact NE2-O 2.79Å; V635-F637 HydrophobicContact CB-CE2 4Å; V635-F637 HydrophobicContact CB-CZ 4.09Å; V635-F637 HydrophobicContact CG1-CE1 4.31Å; V635-F637 HydrophobicContact CG1-CE2 4.29Å; V635-F637 HydrophobicContact CG1-CZ 4.08Å; V635-F637 VanDerWaalsContact O-CD2 3.27Å; V635-F637 WeakPolarHBondContact O-CD2 3.44Å; V635-F637 PolarHBondContact O-N 3.26Å
638	D	23.3	Very low	31	Very low	112 Å²	112	69.8 Å²	69.8	60%	0.599	40%	0.4	S	S	*	.			trans	-74.7	126	168.8	-66.2	-30.3	0	0	0	108.1
639	N	29	Very low	31.7	Very low	112 Å²	112	65.1 Å²	65.1	60%	0.599	38%	0.377	S	S	*	.			trans	92.2	81.2	166.5	-40.5	-54.4	0	0	0	116.5	M571	M571-N639 WeakPolarHBondContact CE-O 3.34Å; M571-N639 VanDerWaalsContact SD-C 3.59Å
640	V	27.8	Very low	32.4	Very low	38 Å²	38	63.7 Å²	63.7	23%	0.23	37%	0.367	C	S	.	.			trans	-99.7	153.9	170.3	-179.2	0	0	0	0	111.2	M571 H618	M571-V640 VanDerWaalsContact CE-C 3.48Å; M571-V640 VanDerWaalsContact SD-CA 3.56Å; M571-V640 VanDerWaalsContact SD-O 3.4Å; H618-V640 PolarHBondContact CE1-O 2.85Å; H618-V640 VanDerWaalsContact CE1-O 3.23Å
641	C	32	Very low	33.5	Very low	5 Å²	5	60.4 Å²	60.4	3%	0.034	34%	0.339	C	S	.	.			trans	-78.6	125.1	-153.9	173.1	0	0	0	0	114.7	V570 M571 H618 V643	V570-C641 WeakPolarHBondContact CG1-SG 3.42Å; M571-C641 VanDerWaalsContact CE-CA 3.49Å; M571-C641 HydrophobicContact CE-CB 3.47Å; M571-C641 VanDerWaalsContact CE-CB 3.47Å; M571-C641 WeakPolarHBondContact SD-CA 3.18Å; M571-C641 HydrophobicContact SD-CB 3.84Å; M571-C641 PolarHBondContact SD-N 2.95Å; H618-C641 PolarHBondContact CE1-O 2.84Å; H618-C641 PolarHBondContact NE2-O 3.25Å; C641-V643 PolarHBondContact O-N 3.04Å; C641-V643 VanDerWaalsContact O-N 3.07Å; C641-V643 PolarHBondContact SG-N 3.27Å; C641-V643 VanDerWaalsContact SG-N 3.45Å
642	P	33.6	Very low	34.2	Very low	29 Å²	29	55.5 Å²	55.5	19%	0.188	31%	0.308	C	S	.	.			trans	-59.3	-19.7	-180	-23.3	32.8	0	0	0	115.9	Y582 H618 C644	Y582-P642 HydrophobicContact CD2-CB 4.26Å; Y582-P642 WeakPolarHBondContact CD2-O 3.47Å; Y582-P642 HydrophobicContact CE1-CB 4.46Å; Y582-P642 HydrophobicContact CE2-CB 4.09Å; Y582-P642 WeakPolarHBondContact CE2-O 3.18Å; H618-P642 WeakPolarHBondContact CE1-CA 3.16Å; H618-P642 VanDerWaalsContact CE1-N 3.29Å; P642-C644 PolarHBondContact O-N 3.08Å
643	V	32	Very low	35.2	Very low	24 Å²	24	51.3 Å²	51.3	15%	0.145	29%	0.293	C	S	.	.			trans	-81.5	86.2	-176.6	-169.2	0	0	0	0	109.7	V570 L578 L581 C641	V570-V643 HydrophobicContact CG1-CG2 4.09Å; L578-V643 HydrophobicContact CD2-CB 4.41Å; L578-V643 HydrophobicContact CD2-CG1 4.28Å; L578-V643 HydrophobicContact CD2-CG2 3.78Å; L581-V643 HydrophobicContact CD2-CG1 4.27Å; C641-V643 PolarHBondContact O-N 3.04Å; C641-V643 VanDerWaalsContact O-N 3.07Å; C641-V643 PolarHBondContact SG-N 3.27Å; C641-V643 VanDerWaalsContact SG-N 3.45Å
644	C	41.1	Very low	36.7	Very low	18 Å²	18	44.2 Å²	44.2	12%	0.122	26%	0.255	C	S	.	.				159.7	127.8	119.6	60.9	0	0	0	0	113	P642 S646 Y647	P642-C644 PolarHBondContact O-N 3.08Å; C644-S646 WeakPolarHBondContact CB-OG 3.41Å; C644-S646 PolarHBondContact O-N 3.09Å; C644-S646 PolarHBondContact SG-OG 3.24Å; C644-S646 VanDerWaalsContact SG-OG 3.34Å; C644-Y647 WeakPolarHBondContact O-CB 3.35Å; C644-Y647 PolarHBondContact O-N 3.35Å; C644-Y647 WeakPolarHBondContact SG-CB 3.48Å; C644-Y647 PolarHBondContact SG-N 3.11Å
645	G	37.8	Very low	38.2	Very low	26 Å²	26	41.2 Å²	41.2	27%	0.268	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-19.7	163.9	0	0	0	0	0	112.6	Y647	G645-Y647 VanDerWaalsContact C-N 3.27Å; G645-Y647 PolarHBondContact O-N 3.39Å
646	S	43.7	Very low	39.8	Very low	10 Å²	10	40.7 Å²	40.7	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-23.2	167.6	52.7	0	0	0	0	113.1	F558 C644 T650	F558-S646 PolarHBondContact O-OG 2.86Å; C644-S646 WeakPolarHBondContact CB-OG 3.41Å; C644-S646 PolarHBondContact O-N 3.09Å; C644-S646 PolarHBondContact SG-OG 3.24Å; C644-S646 VanDerWaalsContact SG-OG 3.34Å; S646-T650 WeakPolarHBondContact O-CB 3.41Å; S646-T650 PolarHBondContact O-N 2.99Å; S646-T650 PolarHBondContact O-OG1 3.49Å
647	Y	47.4	Very low	41.7	Very low	22 Å²	22	36 Å²	36	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-54.6	175.7	-175.1	-106.8	0	0	0	111.2	F562 C644 G645 A649 T650 L651	F562-Y647 HydrophobicContact CD2-CD2 4.32Å; F562-Y647 HydrophobicContact CE1-CD2 4.37Å; F562-Y647 HydrophobicContact CE1-CE2 4.04Å; F562-Y647 AromaticContact CE2-CD2 3.42Å; F562-Y647 HydrophobicContact CE2-CD2 3.42Å; F562-Y647 VanDerWaalsContact CE2-CD2 3.42Å; F562-Y647 AromaticContact CE2-CE2 3.61Å; F562-Y647 HydrophobicContact CE2-CE2 3.61Å; F562-Y647 HydrophobicContact CE2-CG 4.4Å; F562-Y647 AromaticContact CZ-CD2 3.49Å; F562-Y647 HydrophobicContact CZ-CD2 3.49Å; F562-Y647 VanDerWaalsContact CZ-CD2 3.49Å; F562-Y647 AromaticContact CZ-CE2 3.17Å; F562-Y647 HydrophobicContact CZ-CE2 3.17Å; C644-Y647 WeakPolarHBondContact O-CB 3.35Å; C644-Y647 PolarHBondContact O-N 3.35Å; C644-Y647 WeakPolarHBondContact SG-CB 3.48Å; C644-Y647 PolarHBondContact SG-N 3.11Å; G645-Y647 VanDerWaalsContact C-N 3.27Å; G645-Y647 PolarHBondContact O-N 3.39Å; Y647-A649 VanDerWaalsContact C-N 3.33Å; Y647-A649 PolarHBondContact O-N 3.42Å; Y647-T650 PolarHBondContact O-N 3Å; Y647-T650 VanDerWaalsContact O-N 3.1Å; Y647-L651 HydrophobicContact CD2-CD1 3.64Å; Y647-L651 HydrophobicContact CE2-CB 4.35Å; Y647-L651 HydrophobicContact CE2-CD1 3.23Å; Y647-L651 HydrophobicContact CE2-CG 4.38Å; Y647-L651 PolarHBondContact O-N 3.28Å
648	L	40.7	Very low	44	Very low	29 Å²	29	33.7 Å²	33.7	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-42.7	-173.5	-63.6	-177	0	0	0	112.1	L617 F621 H652	L617-L648 HydrophobicContact CB-CD1 4.39Å; F621-L648 HydrophobicContact CB-CD2 3.23Å; F621-L648 HydrophobicContact CD1-CD2 4.41Å; F621-L648 HydrophobicContact CD2-CB 4.39Å; F621-L648 HydrophobicContact CD2-CD1 3.63Å; F621-L648 HydrophobicContact CD2-CD2 3.16Å; F621-L648 HydrophobicContact CD2-CG 3.9Å; F621-L648 HydrophobicContact CE2-CB 4.44Å; F621-L648 HydrophobicContact CE2-CD1 3.81Å; F621-L648 HydrophobicContact CE2-CD2 3.99Å; F621-L648 HydrophobicContact CE2-CG 4.3Å; F621-L648 HydrophobicContact CG-CD2 3.39Å; F621-L648 HydrophobicContact CG-CG 4.5Å; L648-H652 WeakPolarHBondContact O-CB 3.29Å
649	A	42	Very low	46.8	Very low	7 Å²	7	28.7 Å²	28.7	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-83.3	-15.5	179.6	0	0	0	0	0	113.2	Y647 I653 I680	Y647-A649 VanDerWaalsContact C-N 3.33Å; Y647-A649 PolarHBondContact O-N 3.42Å; A649-I653 HydrophobicContact CB-CD1 4.23Å; A649-I653 WeakPolarHBondContact O-CB 3.44Å; A649-I653 WeakPolarHBondContact O-CD1 3.45Å; A649-I653 WeakPolarHBondContact O-CG1 3.44Å; A649-I680 HydrophobicContact CB-CB 4.38Å; A649-I680 HydrophobicContact CB-CD1 4.13Å; A649-I680 HydrophobicContact CB-CG2 3.81Å
650	T	44.2	Very low	49.3	Very low	4 Å²	4	28.9 Å²	28.9	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-99.4	-57.7	-178.2	-45.5	0	0	0	0	110.6	L532 F554 S646 Y647 V654 W666	L532-T650 HydrophobicContact CD2-CG2 3.61Å; F554-T650 HydrophobicContact CE1-CG2 4.02Å; F554-T650 HydrophobicContact CZ-CG2 3.9Å; S646-T650 WeakPolarHBondContact O-CB 3.41Å; S646-T650 PolarHBondContact O-N 2.99Å; S646-T650 PolarHBondContact O-OG1 3.49Å; Y647-T650 PolarHBondContact O-N 3Å; Y647-T650 VanDerWaalsContact O-N 3.1Å; T650-V654 HydrophobicContact CG2-CG2 4.13Å; T650-V654 VanDerWaalsContact O-CB 3.24Å; T650-V654 WeakPolarHBondContact O-CB 3.33Å; T650-V654 WeakPolarHBondContact O-CG2 3.32Å; T650-V654 PolarHBondContact O-N 3.44Å; T650-W666 HydrophobicContact CG2-CZ2 4.08Å
651	L	48.3	Very low	51.5	Low	7 Å²	7	31.3 Å²	31.3	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-77	-44.1	-170.4	-84.2	163.9	0	0	0	114.4	G528 L532 F562 Y647 I653 V654 D655	G528-L651 WeakPolarHBondContact O-CD2 3.28Å; L532-L651 HydrophobicContact CD1-CD2 4.37Å; L532-L651 HydrophobicContact CD2-CD2 4.34Å; L532-L651 HydrophobicContact CG-CD2 3.98Å; F562-L651 HydrophobicContact CE1-CD1 4.35Å; Y647-L651 HydrophobicContact CD2-CD1 3.64Å; Y647-L651 HydrophobicContact CE2-CB 4.35Å; Y647-L651 HydrophobicContact CE2-CD1 3.23Å; Y647-L651 HydrophobicContact CE2-CG 4.38Å; Y647-L651 PolarHBondContact O-N 3.28Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 PolarHBondContact O-N 3.18Å; L651-V654 PolarHBondContact O-N 3.34Å; L651-V654 VanDerWaalsContact O-N 3.15Å; L651-D655 PolarHBondContact O-N 3.42Å
652	H	45.5	Very low	53.8	Low	25 Å²	25	31.1 Å²	31.1	12%	0.116	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-43.3	172.1	-107.3	-68.1	0	0	0	111.4	F621 V625 L648 V654 V656	F621-H652 AromaticContact CD1-CD2 3.46Å; F621-H652 VanDerWaalsContact CD1-CD2 3.46Å; F621-H652 WeakPolarHBondContact CD1-CD2 3.35Å; F621-H652 AromaticContact CD1-NE2 3.48Å; F621-H652 WeakPolarHBondContact CD1-NE2 3.24Å; F621-H652 PolarHBondContact O-NE2 3.37Å; V625-H652 VanDerWaalsContact CG2-NE2 3.31Å; V625-H652 WeakPolarHBondContact CG2-NE2 3.5Å; L648-H652 WeakPolarHBondContact O-CB 3.29Å; H652-V654 VanDerWaalsContact C-N 3.34Å; H652-V656 VanDerWaalsContact O-CB 3.31Å; H652-V656 WeakPolarHBondContact O-CB 3.44Å; H652-V656 VanDerWaalsContact O-CG2 3.29Å; H652-V656 WeakPolarHBondContact O-CG2 3.4Å; H652-V656 PolarHBondContact O-N 2.95Å; H652-V656 VanDerWaalsContact O-N 3.14Å
653	I	50.8	Low	56.4	Low	22 Å²	22	30.2 Å²	30.2	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-34.3	178.2	-62.1	-161.1	0	0	0	111	A649 L651 M657 L662 V665 L712	A649-I653 HydrophobicContact CB-CD1 4.23Å; A649-I653 WeakPolarHBondContact O-CB 3.44Å; A649-I653 WeakPolarHBondContact O-CD1 3.45Å; A649-I653 WeakPolarHBondContact O-CG1 3.44Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 PolarHBondContact O-N 3.18Å; I653-M657 HydrophobicContact CG2-CE 3.31Å; I653-M657 HydrophobicContact CG2-SD 4.09Å; I653-M657 WeakPolarHBondContact O-CB 3.18Å; I653-M657 PolarHBondContact O-N 3.44Å; I653-L662 HydrophobicContact CG2-CD1 3.95Å; I653-V665 HydrophobicContact CG2-CG1 4.46Å; I653-V665 HydrophobicContact CG2-CG2 4.21Å; I653-L712 HydrophobicContact CD1-CD1 3.95Å
654	V	56.5	Low	58.7	Low	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-73.9	-46.3	179.7	176	0	0	0	0	111.1	H494 S531 L532 T650 L651 H652 L662 W666	H494-V654 PolarHBondContact CE1-O 3.36Å; S531-V654 VanDerWaalsContact CB-CG1 3.46Å; S531-V654 WeakPolarHBondContact O-CG1 3.5Å; L532-V654 HydrophobicContact CD2-CG2 4.36Å; T650-V654 HydrophobicContact CG2-CG2 4.13Å; T650-V654 VanDerWaalsContact O-CB 3.24Å; T650-V654 WeakPolarHBondContact O-CB 3.33Å; T650-V654 WeakPolarHBondContact O-CG2 3.32Å; T650-V654 PolarHBondContact O-N 3.44Å; L651-V654 PolarHBondContact O-N 3.34Å; L651-V654 VanDerWaalsContact O-N 3.15Å; H652-V654 VanDerWaalsContact C-N 3.34Å; V654-L662 HydrophobicContact CB-CD1 4.35Å; V654-L662 HydrophobicContact CB-CD2 4.11Å; V654-L662 HydrophobicContact CG1-CD2 3.83Å; V654-L662 HydrophobicContact CG2-CD1 3.63Å; V654-L662 HydrophobicContact CG2-CD2 3.86Å; V654-L662 HydrophobicContact CG2-CG 4.36Å; V654-W666 HydrophobicContact CG2-CZ2 3.66Å
655	D	53.6	Low	60.3	Low	66 Å²	66	29.6 Å²	29.6	35%	0.353	16%	0.156	S	C	.	.	H	α-helix	trans	-70.6	-41.2	-176.1	-89.7	-14.5	0	0	0	113.3	S531 L651	S531-D655 WeakPolarHBondContact CB-OD1 3.47Å; S531-D655 PolarHBondContact OG-OD1 2.97Å; L651-D655 PolarHBondContact O-N 3.42Å
656	V	57	Low	62.4	Low	96 Å²	96	28.4 Å²	28.4	58%	0.582	14%	0.143	S	C	*	.	H	α-helix	trans	-86	-25.2	-172.1	-177.6	0	0	0	0	111.5	I628 H652	I628-V656 HydrophobicContact CD1-CG2 4.37Å; H652-V656 VanDerWaalsContact O-CB 3.31Å; H652-V656 WeakPolarHBondContact O-CB 3.44Å; H652-V656 VanDerWaalsContact O-CG2 3.29Å; H652-V656 WeakPolarHBondContact O-CG2 3.4Å; H652-V656 PolarHBondContact O-N 2.95Å; H652-V656 VanDerWaalsContact O-N 3.14Å
657	M	63.8	Low	64.2	Low	13 Å²	13	28.5 Å²	28.5	6%	0.064	14%	0.143	C	C	.	.	S	Bend	trans	-95.8	144.9	-166.2	-158.2	172.8	51.2	0	0	113.7	Y496 I653 L659 K661 L662 V665 L712	Y496-M657 PolarHBondContact OH-O 3.31Å; I653-M657 HydrophobicContact CG2-CE 3.31Å; I653-M657 HydrophobicContact CG2-SD 4.09Å; I653-M657 WeakPolarHBondContact O-CB 3.18Å; I653-M657 PolarHBondContact O-N 3.44Å; M657-L659 PolarHBondContact O-N 3.34Å; M657-K661 HydrophobicContact CE-CB 3.82Å; M657-K661 HydrophobicContact CG-CB 3.67Å; M657-K661 HydrophobicContact CG-CD 4Å; M657-K661 HydrophobicContact CG-CG 4.37Å; M657-K661 HydrophobicContact SD-CB 3.29Å; M657-K661 WeakPolarHBondContact SD-CB 3.4Å; M657-K661 HydrophobicContact SD-CD 4.02Å; M657-K661 HydrophobicContact SD-CG 4.29Å; M657-L662 HydrophobicContact CE-CB 3.54Å; M657-L662 HydrophobicContact CE-CD1 3.81Å; M657-L662 HydrophobicContact CE-CG 4.3Å; M657-V665 HydrophobicContact CE-CG2 3.91Å; M657-L712 HydrophobicContact CE-CD2 4.22Å; M657-L712 HydrophobicContact CG-CD2 4.46Å; M657-L712 HydrophobicContact SD-CD2 3Å; M657-L712 WeakPolarHBondContact SD-CD2 3.18Å
658	P	74.3	Confident	65.4	Low	43 Å²	43	29.8 Å²	29.8	28%	0.279	15%	0.151	S	C	.	.			trans	-54	132.1	163.5	-27.9	36.5	0	0	0	112.4	Y496 Y660 K661 L662	Y496-P658 WeakPolarHBondContact OH-CA 3.46Å; P658-Y660 HydrophobicContact CB-CD1 3.47Å; P658-Y660 VanDerWaalsContact CB-CD1 3.47Å; P658-Y660 HydrophobicContact CB-CE1 3.21Å; P658-Y660 HydrophobicContact CB-CG 4.49Å; P658-Y660 HydrophobicContact CG-CE1 3.94Å; P658-Y660 PolarHBondContact O-N 2.91Å; P658-K661 PolarHBondContact O-N 2.96Å; P658-L662 PolarHBondContact O-N 3.41Å
659	L	82.7	Confident	67	Low	6 Å²	6	28.7 Å²	28.7	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-46.7	-40.1	178.6	-79.2	167.7	0	0	0	113.7	Y496 D497 L500 P535 Y538 M657 K661 L662 F663	Y496-L659 PolarHBondContact OH-N 3Å; Y496-L659 VanDerWaalsContact OH-N 3.1Å; D497-L659 HydrophobicContact CB-CD1 4.06Å; L500-L659 HydrophobicContact CD1-CD1 3.68Å; L500-L659 HydrophobicContact CG-CD1 4.44Å; P535-L659 HydrophobicContact CG-CD2 4.28Å; Y538-L659 HydrophobicContact CD2-CD1 3.95Å; Y538-L659 HydrophobicContact CE2-CD1 4.35Å; Y538-L659 HydrophobicContact CG-CD1 4.46Å; M657-L659 PolarHBondContact O-N 3.34Å; L659-K661 VanDerWaalsContact C-N 3.28Å; L659-K661 PolarHBondContact O-N 3.35Å; L659-L662 HydrophobicContact CD2-CD2 4.29Å; L659-L662 WeakPolarHBondContact O-CA 3.47Å; L659-L662 WeakPolarHBondContact O-CB 3.39Å; L659-L662 PolarHBondContact O-N 2.94Å; L659-F663 HydrophobicContact CB-CE2 4.22Å; L659-F663 HydrophobicContact CB-CZ 4.08Å; L659-F663 HydrophobicContact CD2-CE1 4.39Å; L659-F663 HydrophobicContact CD2-CZ 4.34Å; L659-F663 WeakPolarHBondContact O-CD2 3.48Å; L659-F663 VanDerWaalsContact O-CG 3.24Å; L659-F663 WeakPolarHBondContact O-CG 3.42Å; L659-F663 PolarHBondContact O-N 3.18Å
660	Y	79.5	Confident	68.5	Low	116 Å²	116	28.7 Å²	28.7	46%	0.455	14%	0.144	S	C	.	.	H	α-helix	trans	-63	-32.7	-178.4	74.8	-93.1	0	0	0	113.4	L410 P658	L410-Y660 HydrophobicContact CD2-CD2 4.42Å; P658-Y660 HydrophobicContact CB-CD1 3.47Å; P658-Y660 VanDerWaalsContact CB-CD1 3.47Å; P658-Y660 HydrophobicContact CB-CE1 3.21Å; P658-Y660 HydrophobicContact CB-CG 4.49Å; P658-Y660 HydrophobicContact CG-CE1 3.94Å; P658-Y660 PolarHBondContact O-N 2.91Å
661	K	75.7	Confident	69.9	Low	90 Å²	90	29.4 Å²	29.4	39%	0.391	15%	0.148	S	C	.	.	H	α-helix	trans	-78	-31.1	172.5	-63.2	-173.3	177.6	-178.9	0	110.8	M657 P658 L659 F663 H664 V665	M657-K661 HydrophobicContact CE-CB 3.82Å; M657-K661 HydrophobicContact CG-CB 3.67Å; M657-K661 HydrophobicContact CG-CD 4Å; M657-K661 HydrophobicContact CG-CG 4.37Å; M657-K661 HydrophobicContact SD-CB 3.29Å; M657-K661 WeakPolarHBondContact SD-CB 3.4Å; M657-K661 HydrophobicContact SD-CD 4.02Å; M657-K661 HydrophobicContact SD-CG 4.29Å; P658-K661 PolarHBondContact O-N 2.96Å; L659-K661 VanDerWaalsContact C-N 3.28Å; L659-K661 PolarHBondContact O-N 3.35Å; K661-F663 VanDerWaalsContact C-N 3.3Å; K661-F663 PolarHBondContact O-N 2.95Å; K661-H664 PolarHBondContact O-N 3.34Å; K661-H664 VanDerWaalsContact O-N 3.08Å; K661-V665 PolarHBondContact O-N 3.19Å; K661-V665 VanDerWaalsContact O-N 3.13Å
662	L	80.4	Confident	70.8	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-40.1	-179.9	-175.5	61.9	0	0	0	110.8	P535 I653 V654 M657 P658 L659 H664 V665 W666	P535-L662 HydrophobicContact CG-CD2 3.45Å; P535-L662 VanDerWaalsContact CG-CD2 3.45Å; P535-L662 HydrophobicContact CG-CG 4.27Å; I653-L662 HydrophobicContact CG2-CD1 3.95Å; V654-L662 HydrophobicContact CB-CD1 4.35Å; V654-L662 HydrophobicContact CB-CD2 4.11Å; V654-L662 HydrophobicContact CG1-CD2 3.83Å; V654-L662 HydrophobicContact CG2-CD1 3.63Å; V654-L662 HydrophobicContact CG2-CD2 3.86Å; V654-L662 HydrophobicContact CG2-CG 4.36Å; M657-L662 HydrophobicContact CE-CB 3.54Å; M657-L662 HydrophobicContact CE-CD1 3.81Å; M657-L662 HydrophobicContact CE-CG 4.3Å; P658-L662 PolarHBondContact O-N 3.41Å; L659-L662 HydrophobicContact CD2-CD2 4.29Å; L659-L662 WeakPolarHBondContact O-CA 3.47Å; L659-L662 WeakPolarHBondContact O-CB 3.39Å; L659-L662 PolarHBondContact O-N 2.94Å; L662-H664 VanDerWaalsContact C-N 3.27Å; L662-H664 PolarHBondContact O-N 3Å; L662-V665 PolarHBondContact O-N 3.46Å; L662-W666 HydrophobicContact CD1-CG 4.46Å; L662-W666 WeakPolarHBondContact O-CB 3.21Å; L662-W666 PolarHBondContact O-N 3.12Å
663	F	86.6	Confident	71.7	Confident	11 Å²	11	28.6 Å²	28.6	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-40.6	170.8	-61.9	-28.1	0	0	0	112.6	W457 P535 Y538 L539 L659 K661 W666 D667	W457-F663 AromaticContact CH2-CD1 3.71Å; W457-F663 HydrophobicContact CH2-CD1 3.71Å; W457-F663 HydrophobicContact CH2-CE1 4.48Å; W457-F663 HydrophobicContact CZ2-CB 4.49Å; W457-F663 HydrophobicContact CZ2-CD1 4.37Å; W457-F663 HydrophobicContact CZ3-CD1 4.39Å; P535-F663 HydrophobicContact CB-CD1 4.46Å; P535-F663 HydrophobicContact CB-CE1 3.94Å; Y538-F663 HydrophobicContact CD1-CE1 4.48Å; Y538-F663 AromaticContact CD1-CE2 3.97Å; Y538-F663 HydrophobicContact CD1-CE2 3.97Å; Y538-F663 AromaticContact CD1-CZ 3.44Å; Y538-F663 HydrophobicContact CD1-CZ 3.44Å; Y538-F663 VanDerWaalsContact CD1-CZ 3.44Å; Y538-F663 AromaticContact CE1-CE2 3.88Å; Y538-F663 HydrophobicContact CE1-CE2 3.88Å; Y538-F663 AromaticContact CE1-CZ 3.86Å; Y538-F663 HydrophobicContact CE1-CZ 3.86Å; Y538-F663 HydrophobicContact CG-CZ 4.02Å; L539-F663 HydrophobicContact CD1-CD1 4.34Å; L539-F663 HydrophobicContact CD1-CE1 4.11Å; L539-F663 HydrophobicContact CD2-CE1 4.32Å; L539-F663 HydrophobicContact CD2-CZ 4.23Å; L539-F663 HydrophobicContact CG-CE1 4.07Å; L539-F663 HydrophobicContact CG-CZ 4.31Å; L659-F663 HydrophobicContact CB-CE2 4.22Å; L659-F663 HydrophobicContact CB-CZ 4.08Å; L659-F663 HydrophobicContact CD2-CE1 4.39Å; L659-F663 HydrophobicContact CD2-CZ 4.34Å; L659-F663 WeakPolarHBondContact O-CD2 3.48Å; L659-F663 VanDerWaalsContact O-CG 3.24Å; L659-F663 WeakPolarHBondContact O-CG 3.42Å; L659-F663 PolarHBondContact O-N 3.18Å; K661-F663 VanDerWaalsContact C-N 3.3Å; K661-F663 PolarHBondContact O-N 2.95Å; F663-W666 PolarHBondContact O-N 3.4Å; F663-D667 VanDerWaalsContact O-CB 3.29Å; F663-D667 WeakPolarHBondContact O-CB 3.4Å; F663-D667 PolarHBondContact O-N 2.93Å
664	H	81.1	Confident	72.3	Confident	26 Å²	26	29.8 Å²	29.8	12%	0.12	15%	0.153	C	C	.	.	H	α-helix	trans	-71	-36.8	178.4	-61.1	165.6	0	0	0	113.1	L409 E413 K661 L662 L668	L409-H664 HydrophobicContact CD2-CB 4.24Å; E413-H664 VanDerWaalsContact CD-NE2 3.26Å; E413-H664 IonicContact OE1-CD2 3.4Å; E413-H664 IonicContact OE1-NE2 3.71Å; E413-H664 PolarHBondContact OE1-NE2 3.4Å; E413-H664 IonicContact OE2-CE1 3.86Å; E413-H664 PolarHBondContact OE2-CE1 2.87Å; E413-H664 IonicContact OE2-NE2 3.51Å; E413-H664 PolarHBondContact OE2-NE2 3.49Å; K661-H664 PolarHBondContact O-N 3.34Å; K661-H664 VanDerWaalsContact O-N 3.08Å; L662-H664 VanDerWaalsContact C-N 3.27Å; L662-H664 PolarHBondContact O-N 3Å; H664-L668 PolarHBondContact O-N 3.36Å
665	V	75	Confident	72.8	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-45.5	173.2	179.5	0	0	0	0	110.1	I653 M657 K661 L662 L668 L669 L712 L716	I653-V665 HydrophobicContact CG2-CG1 4.46Å; I653-V665 HydrophobicContact CG2-CG2 4.21Å; M657-V665 HydrophobicContact CE-CG2 3.91Å; K661-V665 PolarHBondContact O-N 3.19Å; K661-V665 VanDerWaalsContact O-N 3.13Å; L662-V665 PolarHBondContact O-N 3.46Å; V665-L668 PolarHBondContact O-N 2.87Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 PolarHBondContact O-N 3.32Å; V665-L712 HydrophobicContact CG2-CD2 4.35Å; V665-L716 HydrophobicContact CG1-CD2 4.39Å; V665-L716 HydrophobicContact CG2-CD1 3.76Å; V665-L716 HydrophobicContact CG2-CD2 4.08Å; V665-L716 HydrophobicContact CG2-CG 4.45Å
666	W	82.6	Confident	73.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-75.4	-31.5	-176.9	-76.7	25.7	0	0	0	112.9	W457 L532 P535 F536 F554 T650 V654 L662 F663 L668 L669 L670	W457-W666 HydrophobicContact CE3-CE3 4.29Å; W457-W666 HydrophobicContact CH2-CB 3.38Å; W457-W666 HydrophobicContact CH2-CD2 4.12Å; W457-W666 AromaticContact CH2-CE3 3.63Å; W457-W666 HydrophobicContact CH2-CE3 3.63Å; W457-W666 HydrophobicContact CH2-CG 4.1Å; W457-W666 HydrophobicContact CZ2-CB 3.45Å; W457-W666 VanDerWaalsContact CZ2-CB 3.45Å; W457-W666 HydrophobicContact CZ3-CB 4.28Å; W457-W666 HydrophobicContact CZ3-CD2 4.36Å; W457-W666 AromaticContact CZ3-CE3 3.43Å; W457-W666 HydrophobicContact CZ3-CE3 3.43Å; W457-W666 VanDerWaalsContact CZ3-CE3 3.43Å; W457-W666 HydrophobicContact CZ3-CZ3 4.13Å; L532-W666 HydrophobicContact CD2-CH2 4.41Å; L532-W666 HydrophobicContact CD2-CZ2 4.14Å; P535-W666 HydrophobicContact CB-CE3 3.98Å; P535-W666 HydrophobicContact CB-CH2 4.13Å; P535-W666 HydrophobicContact CB-CZ3 3.59Å; P535-W666 HydrophobicContact CG-CE3 4.21Å; P535-W666 HydrophobicContact CG-CH2 3.69Å; P535-W666 HydrophobicContact CG-CZ2 4.22Å; P535-W666 HydrophobicContact CG-CZ3 3.68Å; F536-W666 HydrophobicContact CD1-CZ3 4.44Å; F536-W666 HydrophobicContact CD2-CZ3 4.16Å; F536-W666 HydrophobicContact CE1-CE3 4.28Å; F536-W666 AromaticContact CE1-CZ3 3.84Å; F536-W666 HydrophobicContact CE1-CZ3 3.84Å; F536-W666 AromaticContact CE2-CH2 3.93Å; F536-W666 HydrophobicContact CE2-CH2 3.93Å; F536-W666 AromaticContact CE2-CZ3 3.51Å; F536-W666 HydrophobicContact CE2-CZ3 3.51Å; F536-W666 HydrophobicContact CZ-CE3 4.03Å; F536-W666 HydrophobicContact CZ-CH2 4.14Å; F536-W666 AromaticContact CZ-CZ3 3.33Å; F536-W666 HydrophobicContact CZ-CZ3 3.33Å; F554-W666 HydrophobicContact CE1-CH2 4.35Å; F554-W666 HydrophobicContact CE1-CZ2 4.26Å; F554-W666 HydrophobicContact CE2-CD2 4.26Å; F554-W666 HydrophobicContact CE2-CE3 4.25Å; F554-W666 HydrophobicContact CE2-CH2 4.44Å; F554-W666 HydrophobicContact CE2-CZ2 4.39Å; F554-W666 HydrophobicContact CE2-CZ3 4.37Å; F554-W666 HydrophobicContact CZ-CD2 4.46Å; F554-W666 HydrophobicContact CZ-CH2 4.2Å; F554-W666 AromaticContact CZ-CZ2 3.9Å; F554-W666 HydrophobicContact CZ-CZ2 3.9Å; T650-W666 HydrophobicContact CG2-CZ2 4.08Å; V654-W666 HydrophobicContact CG2-CZ2 3.66Å; L662-W666 HydrophobicContact CD1-CG 4.46Å; L662-W666 WeakPolarHBondContact O-CB 3.21Å; L662-W666 PolarHBondContact O-N 3.12Å; F663-W666 PolarHBondContact O-N 3.4Å; W666-L668 PolarHBondContact O-N 2.81Å; W666-L669 PolarHBondContact O-N 3.15Å; W666-L670 VanDerWaalsContact O-CB 3.3Å; W666-L670 WeakPolarHBondContact O-CB 2.98Å; W666-L670 VanDerWaalsContact O-CG 3.25Å; W666-L670 WeakPolarHBondContact O-CG 3.12Å; W666-L670 PolarHBondContact O-N 2.96Å
667	D	80.6	Confident	74	Confident	13 Å²	13	23 Å²	23	7%	0.07	11%	0.114	C	C	.	.	H	α-helix	trans	-53.9	-44.8	168.4	-74.1	-16.1	0	0	0	109.5	I448 R453 W457 F663 V671	I448-D667 HydrophobicContact CD1-CB 4.1Å; R453-D667 WeakPolarHBondContact CD-OD1 3.4Å; R453-D667 IonicContact CZ-OD2 3.98Å; R453-D667 IonicContact NE-OD1 3.83Å; R453-D667 PolarHBondContact NE-OD1 2.93Å; R453-D667 VanDerWaalsContact NE-OD1 3.13Å; R453-D667 IonicContact NE-OD2 3.65Å; R453-D667 PolarHBondContact NE-OD2 3.29Å; R453-D667 VanDerWaalsContact NE-OD2 3.12Å; R453-D667 IonicContact NH2-OD2 3.76Å; R453-D667 PolarHBondContact NH2-OD2 2.87Å; R453-D667 VanDerWaalsContact NH2-OD2 3.07Å; W457-D667 WeakPolarHBondContact CZ2-OD1 3.4Å; W457-D667 PolarHBondContact NE1-OD1 3.29Å; F663-D667 VanDerWaalsContact O-CB 3.29Å; F663-D667 WeakPolarHBondContact O-CB 3.4Å; F663-D667 PolarHBondContact O-N 2.93Å; D667-V671 WeakPolarHBondContact O-CB 3.32Å; D667-V671 WeakPolarHBondContact O-CG2 3.39Å; D667-V671 PolarHBondContact O-N 3.4Å
668	L	73.4	Confident	74.4	Confident	49 Å²	49	22.4 Å²	22.4	26%	0.257	11%	0.112	S	C	.	.	H	α-helix	trans	-72	-44.9	177	-68.5	171.3	0	0	0	113	H664 V665 W666 V671 S672 F676 L716 V720	H664-L668 PolarHBondContact O-N 3.36Å; V665-L668 PolarHBondContact O-N 2.87Å; W666-L668 PolarHBondContact O-N 2.81Å; L668-V671 PolarHBondContact O-N 2.97Å; L668-S672 WeakPolarHBondContact O-CB 3.32Å; L668-S672 PolarHBondContact O-N 3.3Å; L668-S672 PolarHBondContact O-OG 2.8Å; L668-F676 HydrophobicContact CB-CD1 4.41Å; L668-F676 HydrophobicContact CB-CE1 3.71Å; L668-F676 HydrophobicContact CB-CZ 3.96Å; L668-F676 HydrophobicContact CD1-CE1 4.48Å; L668-F676 HydrophobicContact CD1-CZ 4.18Å; L668-L716 HydrophobicContact CD1-CD2 4.37Å; L668-V720 HydrophobicContact CD1-CG2 3.89Å; L668-V720 HydrophobicContact CD2-CG2 4.05Å
669	L	73	Confident	74.4	Confident	5 Å²	5	20.4 Å²	20.4	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-49.1	-179	178.8	63.2	0	0	0	111.7	F554 F558 V665 W666 G673 P677	F554-L669 HydrophobicContact CE2-CD2 3.81Å; F554-L669 HydrophobicContact CZ-CD2 3.84Å; F558-L669 HydrophobicContact CD1-CD1 4.16Å; F558-L669 HydrophobicContact CD1-CG 4.45Å; F558-L669 HydrophobicContact CE1-CD1 3.85Å; F558-L669 HydrophobicContact CE1-CG 4.02Å; F558-L669 HydrophobicContact CZ-CD1 4.42Å; F558-L669 HydrophobicContact CZ-CG 4.1Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 PolarHBondContact O-N 3.32Å; W666-L669 PolarHBondContact O-N 3.15Å; L669-G673 PolarHBondContact O-N 3.3Å; L669-G673 VanDerWaalsContact O-N 3.12Å; L669-P677 HydrophobicContact CD1-CG 3.52Å
670	L	74.2	Confident	73.8	Confident	7 Å²	7	20.3 Å²	20.3	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-67.3	-39	-177.4	-68.5	174.9	0	0	0	111.9	W457 I460 L461 F554 F558 W666	W457-L670 HydrophobicContact CB-CD1 3.79Å; W457-L670 HydrophobicContact CD2-CD1 3.44Å; W457-L670 VanDerWaalsContact CD2-CD1 3.44Å; W457-L670 HydrophobicContact CE3-CD1 4.04Å; W457-L670 HydrophobicContact CG-CD1 3.33Å; W457-L670 HydrophobicContact CZ2-CD1 4.46Å; I460-L670 HydrophobicContact CG2-CB 4.16Å; I460-L670 WeakPolarHBondContact CG2-O 3.48Å; L461-L670 HydrophobicContact CD1-CD2 4.29Å; L461-L670 HydrophobicContact CD2-CD2 3.62Å; L461-L670 HydrophobicContact CG-CD2 3.95Å; F554-L670 HydrophobicContact CD2-CD2 4.04Å; F554-L670 HydrophobicContact CE2-CD2 4.32Å; F558-L670 HydrophobicContact CE2-CD2 3.86Å; F558-L670 HydrophobicContact CZ-CD2 4.3Å; W666-L670 VanDerWaalsContact O-CB 3.3Å; W666-L670 WeakPolarHBondContact O-CB 2.98Å; W666-L670 VanDerWaalsContact O-CG 3.25Å; W666-L670 WeakPolarHBondContact O-CG 3.12Å; W666-L670 PolarHBondContact O-N 2.96Å
671	V	73.4	Confident	73.5	Confident	20 Å²	20	15.7 Å²	15.7	12%	0.121	9%	0.086	C	C	.	.	H	α-helix	trans	-77	-35.2	-179.2	174.6	0	0	0	0	112.3	A444 V445 I448 I460 D667 L668	A444-V671 HydrophobicContact CB-CG2 3.77Å; V445-V671 HydrophobicContact CB-CG1 4.07Å; V445-V671 HydrophobicContact CG2-CG1 3.29Å; I448-V671 HydrophobicContact CD1-CG2 4.28Å; I460-V671 HydrophobicContact CD1-CG2 3.74Å; D667-V671 WeakPolarHBondContact O-CB 3.32Å; D667-V671 WeakPolarHBondContact O-CG2 3.39Å; D667-V671 PolarHBondContact O-N 3.4Å; L668-V671 PolarHBondContact O-N 2.97Å
672	S	66.9	Low	73.6	Confident	13 Å²	13	11.4 Å²	11.4	9%	0.091	7%	0.067	C	C	.	.	H	α-helix	trans	-87.8	-13.2	-174.1	-52.1	0	0	0	0	113.5	L668 Y723	L668-S672 WeakPolarHBondContact O-CB 3.32Å; L668-S672 PolarHBondContact O-N 3.3Å; L668-S672 PolarHBondContact O-OG 2.8Å; S672-Y723 WeakPolarHBondContact O-CE2 3.29Å; S672-Y723 PolarHBondContact O-OH 2.92Å
673	G	64.4	Low	73.5	Confident	2 Å²	2	11.4 Å²	11.4	2%	0.021	7%	0.067	C	C	.	.			trans	76.3	-169.7	176.9	0	0	0	0	0	114.6	L669 C675 F676	L669-G673 PolarHBondContact O-N 3.3Å; L669-G673 VanDerWaalsContact O-N 3.12Å; G673-C675 PolarHBondContact O-N 3.02Å; G673-C675 VanDerWaalsContact O-N 3.1Å; G673-F676 WeakPolarHBondContact O-CB 3.38Å; G673-F676 PolarHBondContact O-N 3.18Å; G673-F676 VanDerWaalsContact O-N 3.11Å
674	N	62.8	Low	72.9	Confident	47 Å²	47	12 Å²	12	25%	0.251	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.2	-167.1	-60.1	-25	0	0	0	114.8	F558 P677 L740	F558-N674 WeakPolarHBondContact CD1-OD1 2.99Å; F558-N674 WeakPolarHBondContact CE1-OD1 3.43Å; N674-P677 WeakPolarHBondContact O-CD 3.37Å; N674-L740 HydrophobicContact CB-CD1 4.25Å; N674-L740 WeakPolarHBondContact ND2-CD1 3.43Å
675	C	67.3	Low	72.8	Confident	12 Å²	12	10.9 Å²	10.9	8%	0.081	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.7	176.6	-61.9	0	0	0	0	112.8	G673 I678 Y723 M731	G673-C675 PolarHBondContact O-N 3.02Å; G673-C675 VanDerWaalsContact O-N 3.1Å; C675-I678 VanDerWaalsContact O-CB 3.3Å; C675-I678 WeakPolarHBondContact O-CB 3.37Å; C675-I678 PolarHBondContact O-N 3.1Å; C675-Y723 HydrophobicContact CB-CE2 4.38Å; C675-M731 HydrophobicContact CB-CB 3.85Å; C675-M731 HydrophobicContact CB-CE 4.37Å; C675-M731 HydrophobicContact CB-SD 4.31Å; C675-M731 PolarHBondContact SG-O 3.05Å; C675-M731 VanDerWaalsContact SG-O 3.35Å
676	F	68.2	Low	73.2	Confident	1 Å²	1	11.7 Å²	11.7	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-64.9	-36.8	-173.4	-169.3	-108.9	0	0	0	114.8	L668 G673 I678 C679 I680 A719 V720 Y723	L668-F676 HydrophobicContact CB-CD1 4.41Å; L668-F676 HydrophobicContact CB-CE1 3.71Å; L668-F676 HydrophobicContact CB-CZ 3.96Å; L668-F676 HydrophobicContact CD1-CE1 4.48Å; L668-F676 HydrophobicContact CD1-CZ 4.18Å; G673-F676 WeakPolarHBondContact O-CB 3.38Å; G673-F676 PolarHBondContact O-N 3.18Å; G673-F676 VanDerWaalsContact O-N 3.11Å; F676-I678 PolarHBondContact O-N 3.16Å; F676-C679 HydrophobicContact CD2-CB 4.39Å; F676-C679 WeakPolarHBondContact O-CA 3.26Å; F676-C679 VanDerWaalsContact O-CB 3.28Å; F676-C679 WeakPolarHBondContact O-CB 3.38Å; F676-C679 PolarHBondContact O-N 3.2Å; F676-I680 HydrophobicContact CD1-CD1 3.98Å; F676-I680 HydrophobicContact CD1-CG1 4.2Å; F676-I680 HydrophobicContact CE1-CD1 3.86Å; F676-I680 HydrophobicContact CE1-CG1 3.95Å; F676-I680 HydrophobicContact CZ-CG1 4.5Å; F676-I680 PolarHBondContact O-N 2.96Å; F676-I680 VanDerWaalsContact O-N 3.1Å; F676-A719 HydrophobicContact CE2-CB 4.28Å; F676-A719 HydrophobicContact CZ-CB 4.01Å; F676-V720 HydrophobicContact CE2-CG2 4.15Å; F676-V720 HydrophobicContact CZ-CG2 4.05Å; F676-Y723 HydrophobicContact CB-CD2 4.42Å; F676-Y723 AromaticContact CD2-CD2 3.82Å; F676-Y723 HydrophobicContact CD2-CD2 3.82Å; F676-Y723 AromaticContact CD2-CG 3.87Å; F676-Y723 HydrophobicContact CD2-CG 3.87Å; F676-Y723 HydrophobicContact CE2-CG 4.38Å
677	P	69	Low	73.1	Confident	5 Å²	5	14.4 Å²	14.4	3%	0.032	8%	0.084	C	C	.	.	H	α-helix	trans	-53.4	-34.1	171.9	-29.5	36.9	0	0	0	114.2	L669 N674 C679 I680 G681	L669-P677 HydrophobicContact CD1-CG 3.52Å; N674-P677 WeakPolarHBondContact O-CD 3.37Å; P677-C679 VanDerWaalsContact C-N 3.3Å; P677-C679 PolarHBondContact O-N 3.31Å; P677-I680 WeakPolarHBondContact O-CB 3.45Å; P677-I680 PolarHBondContact O-N 3.17Å; P677-G681 PolarHBondContact O-N 2.8Å
678	I	71.5	Confident	73.1	Confident	2 Å²	2	14.2 Å²	14.2	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-42.2	176.4	-58.1	-177.2	0	0	0	109.9	Y585 V588 F589 A592 C675 F676 I680 G681 V682	Y585-I678 HydrophobicContact CE2-CD1 4.21Å; Y585-I678 HydrophobicContact CE2-CG1 3.94Å; V588-I678 HydrophobicContact CB-CD1 4.18Å; V588-I678 HydrophobicContact CG1-CD1 3.41Å; V588-I678 VanDerWaalsContact CG1-CD1 3.41Å; F589-I678 HydrophobicContact CB-CG2 4.37Å; F589-I678 HydrophobicContact CD2-CG2 3.85Å; A592-I678 HydrophobicContact CB-CG2 3.52Å; C675-I678 VanDerWaalsContact O-CB 3.3Å; C675-I678 WeakPolarHBondContact O-CB 3.37Å; C675-I678 PolarHBondContact O-N 3.1Å; F676-I678 PolarHBondContact O-N 3.16Å; I678-I680 VanDerWaalsContact C-N 3.32Å; I678-I680 PolarHBondContact O-N 2.76Å; I678-G681 PolarHBondContact O-N 2.98Å; I678-V682 WeakPolarHBondContact O-CG2 3.39Å; I678-V682 PolarHBondContact O-N 3.5Å
679	C	74.2	Confident	73.9	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.3	-34.3	176.1	-61.7	0	0	0	0	112.4	F676 P677 V682 A683 A719 A722 Y723 M731	F676-C679 HydrophobicContact CD2-CB 4.39Å; F676-C679 WeakPolarHBondContact O-CA 3.26Å; F676-C679 VanDerWaalsContact O-CB 3.28Å; F676-C679 WeakPolarHBondContact O-CB 3.38Å; F676-C679 PolarHBondContact O-N 3.2Å; P677-C679 VanDerWaalsContact C-N 3.3Å; P677-C679 PolarHBondContact O-N 3.31Å; C679-V682 PolarHBondContact O-N 2.91Å; C679-A683 WeakPolarHBondContact O-CB 3.14Å; C679-A683 PolarHBondContact O-N 3.08Å; C679-A719 HydrophobicContact CB-CB 4.32Å; C679-A719 WeakPolarHBondContact CB-O 3.38Å; C679-A722 HydrophobicContact CB-CB 4.07Å; C679-Y723 WeakPolarHBondContact SG-CA 3.48Å; C679-M731 PolarHBondContact SG-SD 3.35Å
680	I	70.8	Confident	74.6	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-44.9	172.9	-61.8	174.4	0	0	0	110	A649 F676 P677 I678 V682 A683 I684 A719	A649-I680 HydrophobicContact CB-CB 4.38Å; A649-I680 HydrophobicContact CB-CD1 4.13Å; A649-I680 HydrophobicContact CB-CG2 3.81Å; F676-I680 HydrophobicContact CD1-CD1 3.98Å; F676-I680 HydrophobicContact CD1-CG1 4.2Å; F676-I680 HydrophobicContact CE1-CD1 3.86Å; F676-I680 HydrophobicContact CE1-CG1 3.95Å; F676-I680 HydrophobicContact CZ-CG1 4.5Å; F676-I680 PolarHBondContact O-N 2.96Å; F676-I680 VanDerWaalsContact O-N 3.1Å; P677-I680 WeakPolarHBondContact O-CB 3.45Å; P677-I680 PolarHBondContact O-N 3.17Å; I678-I680 VanDerWaalsContact C-N 3.32Å; I678-I680 PolarHBondContact O-N 2.76Å; I680-V682 PolarHBondContact O-N 3.38Å; I680-A683 WeakPolarHBondContact O-CB 3.5Å; I680-A683 PolarHBondContact O-N 3.34Å; I680-A683 VanDerWaalsContact O-N 3.16Å; I680-I684 HydrophobicContact CG2-CD1 4.05Å; I680-I684 HydrophobicContact CG2-CG1 4.45Å; I680-I684 WeakPolarHBondContact O-CG1 3.41Å; I680-I684 PolarHBondContact O-N 3.31Å; I680-A719 HydrophobicContact CG1-CB 3.97Å
681	G	72.7	Confident	75.2	Confident	20 Å²	20	25.4 Å²	25.4	21%	0.206	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-43.7	175.8	0	0	0	0	0	112.5	P677 I678 A683 I684 L685	P677-G681 PolarHBondContact O-N 2.8Å; I678-G681 PolarHBondContact O-N 2.98Å; G681-A683 VanDerWaalsContact C-N 3.31Å; G681-A683 PolarHBondContact O-N 2.77Å; G681-I684 PolarHBondContact O-N 2.95Å; G681-L685 WeakPolarHBondContact O-CG 3.39Å; G681-L685 PolarHBondContact O-N 3.21Å; G681-L685 VanDerWaalsContact O-N 3.1Å
682	V	77.2	Confident	75.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-39.4	174.4	171.7	0	0	0	0	111.5	F589 A592 L593 Y596 I678 C679 I680 L685 S686 A722	F589-V682 HydrophobicContact CE2-CG2 4Å; F589-V682 HydrophobicContact CZ-CG2 4.44Å; A592-V682 HydrophobicContact CB-CG2 4.25Å; L593-V682 HydrophobicContact CB-CG2 4.39Å; L593-V682 HydrophobicContact CD1-CG1 4.5Å; Y596-V682 HydrophobicContact CD1-CG1 3.21Å; Y596-V682 HydrophobicContact CE1-CG1 3.88Å; Y596-V682 HydrophobicContact CG-CG1 3.71Å; I678-V682 WeakPolarHBondContact O-CG2 3.39Å; I678-V682 PolarHBondContact O-N 3.5Å; C679-V682 PolarHBondContact O-N 2.91Å; I680-V682 PolarHBondContact O-N 3.38Å; V682-L685 PolarHBondContact O-N 2.96Å; V682-S686 WeakPolarHBondContact O-CB 3.34Å; V682-S686 PolarHBondContact O-N 3.35Å; V682-S686 PolarHBondContact O-OG 3.38Å; V682-A722 HydrophobicContact CG1-CB 4.47Å
683	A	78.4	Confident	76.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-38.2	177.1	0	0	0	0	0	113	C679 I680 G681 L685 S686 Q687 C715 E718 A719	C679-A683 WeakPolarHBondContact O-CB 3.14Å; C679-A683 PolarHBondContact O-N 3.08Å; I680-A683 WeakPolarHBondContact O-CB 3.5Å; I680-A683 PolarHBondContact O-N 3.34Å; I680-A683 VanDerWaalsContact O-N 3.16Å; G681-A683 VanDerWaalsContact C-N 3.31Å; G681-A683 PolarHBondContact O-N 2.77Å; A683-L685 VanDerWaalsContact C-N 3.35Å; A683-S686 WeakPolarHBondContact O-CB 3.4Å; A683-S686 PolarHBondContact O-N 2.98Å; A683-Q687 PolarHBondContact O-N 3.24Å; A683-Q687 VanDerWaalsContact O-N 3.11Å; A683-C715 VanDerWaalsContact CB-O 3.27Å; A683-C715 WeakPolarHBondContact CB-O 3.35Å; A683-E718 HydrophobicContact CB-CB 3.71Å; A683-A719 HydrophobicContact CB-CB 3.93Å
684	I	73.8	Confident	78.1	Confident	22 Å²	22	33 Å²	33	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-47.6	173.9	-68.5	167	0	0	0	110	I680 G681 S686 Q687 M688 V710	I680-I684 HydrophobicContact CG2-CD1 4.05Å; I680-I684 HydrophobicContact CG2-CG1 4.45Å; I680-I684 WeakPolarHBondContact O-CG1 3.41Å; I680-I684 PolarHBondContact O-N 3.31Å; G681-I684 PolarHBondContact O-N 2.95Å; I684-S686 VanDerWaalsContact C-N 3.28Å; I684-S686 PolarHBondContact O-N 3.24Å; I684-Q687 PolarHBondContact O-N 3.05Å; I684-M688 HydrophobicContact CG2-SD 4.31Å; I684-M688 PolarHBondContact O-N 2.94Å; I684-V710 HydrophobicContact CG1-CG1 4.4Å; I684-V710 HydrophobicContact CG2-CG2 4.21Å
685	L	80.5	Confident	79.2	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-37.5	175.9	-67.1	-175.2	0	0	0	112.1	F589 L593 L600 F604 G681 V682 A683 Q687 M688 R689 L692 F704	F589-L685 HydrophobicContact CE1-CD1 3.85Å; F589-L685 HydrophobicContact CZ-CD1 3.57Å; F589-L685 HydrophobicContact CZ-CG 4.38Å; L593-L685 HydrophobicContact CD1-CD1 4Å; L593-L685 HydrophobicContact CD2-CD1 3.81Å; L600-L685 HydrophobicContact CD2-CB 3.93Å; F604-L685 HydrophobicContact CE2-CD1 4.12Å; G681-L685 WeakPolarHBondContact O-CG 3.39Å; G681-L685 PolarHBondContact O-N 3.21Å; G681-L685 VanDerWaalsContact O-N 3.1Å; V682-L685 PolarHBondContact O-N 2.96Å; A683-L685 VanDerWaalsContact C-N 3.35Å; L685-Q687 VanDerWaalsContact C-N 3.33Å; L685-Q687 PolarHBondContact O-N 3.4Å; L685-M688 CarbonylContact O-C 3.55Å; L685-M688 PolarHBondContact O-N 2.91Å; L685-M688 VanDerWaalsContact O-N 3.16Å; L685-R689 WeakPolarHBondContact O-CA 3.09Å; L685-R689 PolarHBondContact O-N 3.19Å; L685-L692 HydrophobicContact CB-CD1 4.43Å; L685-L692 HydrophobicContact CD2-CD1 3.91Å; L685-F704 HydrophobicContact CD2-CE1 3.7Å; L685-F704 HydrophobicContact CD2-CZ 3.62Å
686	S	83.3	Confident	80.1	Confident	21 Å²	21	32.1 Å²	32.1	15%	0.147	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-37	178.6	-64.6	0	0	0	0	112.6	V682 A683 I684 M688 R689 E718	V682-S686 WeakPolarHBondContact O-CB 3.34Å; V682-S686 PolarHBondContact O-N 3.35Å; V682-S686 PolarHBondContact O-OG 3.38Å; A683-S686 WeakPolarHBondContact O-CB 3.4Å; A683-S686 PolarHBondContact O-N 2.98Å; I684-S686 VanDerWaalsContact C-N 3.28Å; I684-S686 PolarHBondContact O-N 3.24Å; S686-M688 VanDerWaalsContact C-N 3.35Å; S686-R689 WeakPolarHBondContact O-CB 3.23Å; S686-R689 PolarHBondContact O-N 3.26Å; S686-E718 WeakPolarHBondContact CB-OE2 3.27Å
687	Q	79.3	Confident	80.7	Confident	57 Å²	57	35.7 Å²	35.7	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-69	-33.6	174.4	-69.3	-168.7	32.1	0	0	113.2	A683 I684 L685 R689 N711 C715	A683-Q687 PolarHBondContact O-N 3.24Å; A683-Q687 VanDerWaalsContact O-N 3.11Å; I684-Q687 PolarHBondContact O-N 3.05Å; L685-Q687 VanDerWaalsContact C-N 3.33Å; L685-Q687 PolarHBondContact O-N 3.4Å; Q687-R689 VanDerWaalsContact C-N 3.32Å; Q687-N711 PolarHBondContact NE2-O 3.43Å; Q687-C715 VanDerWaalsContact NE2-CB 3.28Å
688	M	81.6	Confident	81.3	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-89	-2.1	178.9	-64.4	169	63.1	0	0	112.7	I684 L685 S686 R690 L691 L692 L703 F704 I707	I684-M688 HydrophobicContact CG2-SD 4.31Å; I684-M688 PolarHBondContact O-N 2.94Å; L685-M688 CarbonylContact O-C 3.55Å; L685-M688 PolarHBondContact O-N 2.91Å; L685-M688 VanDerWaalsContact O-N 3.16Å; S686-M688 VanDerWaalsContact C-N 3.35Å; M688-R690 VanDerWaalsContact C-N 3.3Å; M688-R690 PolarHBondContact O-N 3.09Å; M688-R690 VanDerWaalsContact O-N 3.12Å; M688-L691 WeakPolarHBondContact O-CB 3.34Å; M688-L691 PolarHBondContact O-N 2.97Å; M688-L692 HydrophobicContact CB-CD1 3.76Å; M688-L692 HydrophobicContact CB-CG 4.08Å; M688-L692 PolarHBondContact O-N 3.42Å; M688-L703 HydrophobicContact CE-CD2 3.17Å; M688-L703 HydrophobicContact CE-CG 3.79Å; M688-F704 HydrophobicContact CE-CD1 4.19Å; M688-F704 HydrophobicContact CE-CE1 4.21Å; M688-I707 HydrophobicContact CE-CG2 4.13Å; M688-I707 HydrophobicContact SD-CG2 3.74Å
689	R	88.9	Confident	81.8	Confident	77 Å²	77	45.3 Å²	45.3	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-46.5	-47.1	-172.7	-179.3	-173.7	-166.3	-82.4	-8.9	113.9	D597 L685 S686 Q687 L691 L692 L693	D597-R689 IonicContact OD1-CZ 3.94Å; D597-R689 IonicContact OD1-NE 3.43Å; D597-R689 IonicContact OD1-NH2 3.59Å; D597-R689 PolarHBondContact OD1-NH2 3.02Å; D597-R689 WeakPolarHBondContact OD2-CD 3.31Å; D597-R689 IonicContact OD2-CZ 3.58Å; D597-R689 IonicContact OD2-NE 3.71Å; D597-R689 PolarHBondContact OD2-NE 3.11Å; D597-R689 IonicContact OD2-NH2 2.75Å; L685-R689 WeakPolarHBondContact O-CA 3.09Å; L685-R689 PolarHBondContact O-N 3.19Å; S686-R689 WeakPolarHBondContact O-CB 3.23Å; S686-R689 PolarHBondContact O-N 3.26Å; Q687-R689 VanDerWaalsContact C-N 3.32Å; R689-L691 VanDerWaalsContact C-N 3.28Å; R689-L691 PolarHBondContact O-N 3.22Å; R689-L692 PolarHBondContact O-N 3.28Å; R689-L693 HydrophobicContact CG-CD1 3.82Å; R689-L693 HydrophobicContact CG-CG 4.33Å; R689-L693 WeakPolarHBondContact O-CB 3.35Å; R689-L693 VanDerWaalsContact O-CG 3.32Å; R689-L693 WeakPolarHBondContact O-CG 3.26Å; R689-L693 PolarHBondContact O-N 3.22Å
690	R	89.1	Confident	82	Confident	160 Å²	160	45.3 Å²	45.3	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-60.8	-39.5	-178.3	-169.9	-171.9	68.7	76.2	-3.8	111.7	M688 Q694	M688-R690 VanDerWaalsContact C-N 3.3Å; M688-R690 PolarHBondContact O-N 3.09Å; M688-R690 VanDerWaalsContact O-N 3.12Å; R690-Q694 VanDerWaalsContact O-CG 3.3Å; R690-Q694 WeakPolarHBondContact O-CG 3.42Å
691	L	86.8	Confident	82	Confident	59 Å²	59	47.4 Å²	47.4	31%	0.309	23%	0.234	S	C	.	.	H	α-helix	trans	-74.8	-47.7	178.5	-64.4	169.9	0	0	0	109.9	M688 R689 L693 Q694 S695 L703 P708	M688-L691 WeakPolarHBondContact O-CB 3.34Å; M688-L691 PolarHBondContact O-N 2.97Å; R689-L691 VanDerWaalsContact C-N 3.28Å; R689-L691 PolarHBondContact O-N 3.22Å; L691-L693 PolarHBondContact O-N 2.8Å; L691-Q694 PolarHBondContact O-N 3.44Å; L691-S695 PolarHBondContact O-N 2.8Å; L691-S695 PolarHBondContact O-OG 3.15Å; L691-S695 VanDerWaalsContact O-OG 3.04Å; L691-L703 HydrophobicContact CB-CD1 3.83Å; L691-L703 HydrophobicContact CB-CD2 4.39Å; L691-L703 HydrophobicContact CD1-CD1 3.99Å; L691-L703 HydrophobicContact CG-CD1 4.44Å; L691-P708 HydrophobicContact CD1-CG 4.27Å
692	L	86.3	Confident	82	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-42.6	-178.5	-68.8	166.8	0	0	0	113	L600 H603 F604 L685 M688 R689 Q694 S695 L703 F704	L600-L692 HydrophobicContact CD1-CB 3.63Å; L600-L692 HydrophobicContact CD1-CD1 4.23Å; L600-L692 HydrophobicContact CD2-CD1 4.21Å; H603-L692 PolarHBondContact CD2-O 3.04Å; H603-L692 VanDerWaalsContact CD2-O 3.26Å; H603-L692 PolarHBondContact NE2-O 3.3Å; F604-L692 HydrophobicContact CE1-CB 4.26Å; F604-L692 HydrophobicContact CE1-CD2 4.09Å; F604-L692 HydrophobicContact CZ-CB 4.44Å; F604-L692 HydrophobicContact CZ-CD1 4.05Å; F604-L692 HydrophobicContact CZ-CD2 4.05Å; F604-L692 HydrophobicContact CZ-CG 4.41Å; L685-L692 HydrophobicContact CB-CD1 4.43Å; L685-L692 HydrophobicContact CD2-CD1 3.91Å; M688-L692 HydrophobicContact CB-CD1 3.76Å; M688-L692 HydrophobicContact CB-CG 4.08Å; M688-L692 PolarHBondContact O-N 3.42Å; R689-L692 PolarHBondContact O-N 3.28Å; L692-Q694 PolarHBondContact O-N 3.22Å; L692-S695 PolarHBondContact O-N 2.91Å; L692-L703 HydrophobicContact CD2-CD2 3.46Å; L692-L703 VanDerWaalsContact CD2-CD2 3.46Å; L692-L703 HydrophobicContact CG-CD2 3.9Å; L692-F704 HydrophobicContact CD1-CZ 4.32Å; L692-F704 HydrophobicContact CD2-CE1 4.2Å; L692-F704 HydrophobicContact CD2-CE2 3.78Å; L692-F704 HydrophobicContact CD2-CZ 3.56Å
693	L	88.2	Confident	81.6	Confident	53 Å²	53	53.6 Å²	53.6	28%	0.277	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.6	177.2	-72.7	174	0	0	0	113.9	L600 H603 R689 L691	L600-L693 HydrophobicContact CB-CD2 4.49Å; L600-L693 HydrophobicContact CD1-CD2 4.13Å; L600-L693 HydrophobicContact CD1-CG 4.25Å; H603-L693 HydrophobicContact CB-CD2 3.79Å; R689-L693 HydrophobicContact CG-CD1 3.82Å; R689-L693 HydrophobicContact CG-CG 4.33Å; R689-L693 WeakPolarHBondContact O-CB 3.35Å; R689-L693 VanDerWaalsContact O-CG 3.32Å; R689-L693 WeakPolarHBondContact O-CG 3.26Å; R689-L693 PolarHBondContact O-N 3.22Å; L691-L693 PolarHBondContact O-N 2.8Å
694	Q	89.5	Confident	81.1	Confident	141 Å²	141	53.6 Å²	53.6	66%	0.659	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.1	178.6	-66.1	177.1	-3.8	0	0	112.2	R690 L691 L692	R690-Q694 VanDerWaalsContact O-CG 3.3Å; R690-Q694 WeakPolarHBondContact O-CG 3.42Å; L691-Q694 PolarHBondContact O-N 3.44Å; L692-Q694 PolarHBondContact O-N 3.22Å
695	S	86.9	Confident	80.4	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	27%	0.266	C	S	.	.			trans	-86.9	141	-177.2	-70.7	0	0	0	0	112	H603 L691 L692 C700	H603-S695 PolarHBondContact CE1-O 2.8Å; H603-S695 VanDerWaalsContact CE1-O 3.29Å; H603-S695 PolarHBondContact NE2-O 3.27Å; L691-S695 PolarHBondContact O-N 2.8Å; L691-S695 PolarHBondContact O-OG 3.15Å; L691-S695 VanDerWaalsContact O-OG 3.04Å; L692-S695 PolarHBondContact O-N 2.91Å; S695-C700 VanDerWaalsContact CB-SG 3.53Å
696	G	86.9	Confident	79.3	Confident	24 Å²	24	60 Å²	60	25%	0.247	30%	0.299	C	S	.	.			trans	-82.7	-173.4	162.7	0	0	0	0	0	111.4	N698 E699 C700	G696-N698 PolarHBondContact O-N 3.34Å; G696-E699 WeakPolarHBondContact CA-OE2 3.32Å; G696-E699 PolarHBondContact N-OE2 2.81Å; G696-E699 PolarHBondContact O-N 2.91Å; G696-C700 WeakPolarHBondContact O-CB 3.44Å; G696-C700 PolarHBondContact O-N 2.78Å; G696-C700 PolarHBondContact O-SG 2.77Å
697	F	80.8	Confident	78.3	Confident	77 Å²	77	60.4 Å²	60.4	34%	0.338	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-50.4	-178	-178.7	-93.4	0	0	0	112.9	I607 F609 V613 C700 I701	I607-F697 WeakPolarHBondContact O-CD2 3.27Å; F609-F697 HydrophobicContact CB-CD2 4.2Å; F609-F697 AromaticContact CD2-CD2 3.73Å; F609-F697 HydrophobicContact CD2-CD2 3.73Å; F609-F697 AromaticContact CD2-CE2 3.96Å; F609-F697 HydrophobicContact CD2-CE2 3.96Å; F609-F697 HydrophobicContact CD2-CG 4.41Å; F609-F697 HydrophobicContact CG-CD2 4.46Å; V613-F697 HydrophobicContact CG1-CE2 4.02Å; V613-F697 HydrophobicContact CG1-CZ 4.02Å; V613-F697 HydrophobicContact CG2-CE2 4.04Å; V613-F697 HydrophobicContact CG2-CZ 4.35Å; F697-C700 PolarHBondContact O-N 3.34Å; F697-I701 HydrophobicContact CD1-CD1 3.88Å; F697-I701 HydrophobicContact CE1-CD1 3.34Å; F697-I701 HydrophobicContact CE1-CG1 4.36Å; F697-I701 HydrophobicContact CZ-CD1 3.85Å; F697-I701 WeakPolarHBondContact O-CG1 3.4Å; F697-I701 PolarHBondContact O-N 3.25Å; F697-I701 VanDerWaalsContact O-N 3.1Å
698	N	80.7	Confident	77.6	Confident	109 Å²	109	60.3 Å²	60.3	58%	0.583	30%	0.304	S	S	*	.	H	α-helix	trans	-68.6	-38.5	-177.7	-66.5	-35.4	0	0	0	111.9	G696 C700 I701 L702	G696-N698 PolarHBondContact O-N 3.34Å; N698-C700 VanDerWaalsContact C-N 3.35Å; N698-I701 WeakPolarHBondContact O-CB 3.42Å; N698-I701 PolarHBondContact O-N 3.36Å; N698-L702 WeakPolarHBondContact O-CG 3.13Å; N698-L702 PolarHBondContact O-N 2.67Å
699	E	82.8	Confident	76.7	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-66.9	-37.1	177.1	-62.7	78.5	-171.9	0	0	111.4	G696 L702 L703	G696-E699 WeakPolarHBondContact CA-OE2 3.32Å; G696-E699 PolarHBondContact N-OE2 2.81Å; G696-E699 PolarHBondContact O-N 2.91Å; E699-L702 PolarHBondContact O-N 2.81Å; E699-L703 VanDerWaalsContact O-CB 3.24Å; E699-L703 WeakPolarHBondContact O-CB 3.35Å; E699-L703 PolarHBondContact O-N 3.21Å
700	C	78.7	Confident	75.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-44.4	171.8	-78.8	0	0	0	0	111.6	F609 S695 G696 F697 N698 L702 L703 F704	F609-C700 HydrophobicContact CD2-CB 3.71Å; F609-C700 HydrophobicContact CE1-CB 4.4Å; F609-C700 HydrophobicContact CE2-CB 3.55Å; F609-C700 HydrophobicContact CG-CB 4.23Å; F609-C700 HydrophobicContact CZ-CB 3.95Å; S695-C700 VanDerWaalsContact CB-SG 3.53Å; G696-C700 WeakPolarHBondContact O-CB 3.44Å; G696-C700 PolarHBondContact O-N 2.78Å; G696-C700 PolarHBondContact O-SG 2.77Å; F697-C700 PolarHBondContact O-N 3.34Å; N698-C700 VanDerWaalsContact C-N 3.35Å; C700-L702 VanDerWaalsContact C-N 3.32Å; C700-L702 PolarHBondContact O-N 2.82Å; C700-L703 PolarHBondContact O-N 3.37Å; C700-F704 HydrophobicContact CB-CD2 4.43Å; C700-F704 HydrophobicContact CB-CE2 4.39Å; C700-F704 WeakPolarHBondContact O-CB 3.29Å; C700-F704 WeakPolarHBondContact O-CD2 3.31Å; C700-F704 WeakPolarHBondContact O-CG 3.3Å; C700-F704 PolarHBondContact O-N 3.46Å
701	I	70.7	Confident	74.6	Confident	47 Å²	47	64.4 Å²	64.4	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-50.1	174.6	-68.1	178.4	0	0	0	110	F609 V613 V616 F697 N698 L703 F704 S705	F609-I701 HydrophobicContact CE2-CG1 3.83Å; V613-I701 HydrophobicContact CG1-CD1 4.45Å; V613-I701 HydrophobicContact CG1-CG1 4.27Å; V616-I701 HydrophobicContact CG1-CG2 4.05Å; V616-I701 HydrophobicContact CG2-CG1 4.48Å; V616-I701 HydrophobicContact CG2-CG2 4.39Å; F697-I701 HydrophobicContact CD1-CD1 3.88Å; F697-I701 HydrophobicContact CE1-CD1 3.34Å; F697-I701 HydrophobicContact CE1-CG1 4.36Å; F697-I701 HydrophobicContact CZ-CD1 3.85Å; F697-I701 WeakPolarHBondContact O-CG1 3.4Å; F697-I701 PolarHBondContact O-N 3.25Å; F697-I701 VanDerWaalsContact O-N 3.1Å; N698-I701 WeakPolarHBondContact O-CB 3.42Å; N698-I701 PolarHBondContact O-N 3.36Å; I701-L703 PolarHBondContact O-N 3.12Å; I701-F704 PolarHBondContact O-N 3Å; I701-S705 WeakPolarHBondContact O-CB 3.41Å; I701-S705 PolarHBondContact O-N 2.81Å; I701-S705 PolarHBondContact O-OG 2.74Å
702	L	71.1	Confident	73.5	Confident	121 Å²	121	63.4 Å²	63.4	63%	0.634	33%	0.333	S	S	*	.	H	α-helix	trans	-62	-43	178.7	-68.9	172.6	0	0	0	112.7	N698 E699 C700 F704 S705 D706	N698-L702 WeakPolarHBondContact O-CG 3.13Å; N698-L702 PolarHBondContact O-N 2.67Å; E699-L702 PolarHBondContact O-N 2.81Å; C700-L702 VanDerWaalsContact C-N 3.32Å; C700-L702 PolarHBondContact O-N 2.82Å; L702-F704 VanDerWaalsContact C-N 3.31Å; L702-F704 PolarHBondContact O-N 2.91Å; L702-S705 CarbonylContact O-C 3.24Å; L702-S705 WeakPolarHBondContact O-CA 3.42Å; L702-S705 WeakPolarHBondContact O-CB 3.32Å; L702-S705 PolarHBondContact O-N 2.83Å; L702-D706 PolarHBondContact O-N 3.46Å
703	L	68.9	Low	72.8	Confident	29 Å²	29	69.1 Å²	69.1	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-33.7	179.9	-166.4	109.1	0	0	0	112.4	M688 L691 L692 E699 C700 I701 S705 D706 I707	M688-L703 HydrophobicContact CE-CD2 3.17Å; M688-L703 HydrophobicContact CE-CG 3.79Å; L691-L703 HydrophobicContact CB-CD1 3.83Å; L691-L703 HydrophobicContact CB-CD2 4.39Å; L691-L703 HydrophobicContact CD1-CD1 3.99Å; L691-L703 HydrophobicContact CG-CD1 4.44Å; L692-L703 HydrophobicContact CD2-CD2 3.46Å; L692-L703 VanDerWaalsContact CD2-CD2 3.46Å; L692-L703 HydrophobicContact CG-CD2 3.9Å; E699-L703 VanDerWaalsContact O-CB 3.24Å; E699-L703 WeakPolarHBondContact O-CB 3.35Å; E699-L703 PolarHBondContact O-N 3.21Å; C700-L703 PolarHBondContact O-N 3.37Å; I701-L703 PolarHBondContact O-N 3.12Å; L703-S705 VanDerWaalsContact C-N 3.33Å; L703-D706 CarbonylContact O-C 3.57Å; L703-D706 VanDerWaalsContact O-C 3.29Å; L703-I707 WeakPolarHBondContact O-CA 3.48Å; L703-I707 PolarHBondContact O-N 3.34Å
704	F	67.5	Low	72.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-81.1	-16.8	172.1	-69.3	-51.9	0	0	0	113.2	F604 F609 L614 V616 L617 L685 M688 L692 C700 I701 L702 I707	F604-F704 HydrophobicContact CZ-CE2 4.46Å; F604-F704 HydrophobicContact CZ-CZ 4.23Å; F609-F704 HydrophobicContact CD1-CE2 4.36Å; F609-F704 AromaticContact CE1-CD2 3.79Å; F609-F704 HydrophobicContact CE1-CD2 3.79Å; F609-F704 AromaticContact CE1-CE2 3.37Å; F609-F704 HydrophobicContact CE1-CE2 3.37Å; F609-F704 HydrophobicContact CE1-CZ 4.43Å; F609-F704 HydrophobicContact CE2-CD2 4.49Å; F609-F704 AromaticContact CZ-CD2 3.48Å; F609-F704 HydrophobicContact CZ-CD2 3.48Å; F609-F704 VanDerWaalsContact CZ-CD2 3.48Å; F609-F704 AromaticContact CZ-CE2 3.58Å; F609-F704 HydrophobicContact CZ-CE2 3.58Å; L614-F704 HydrophobicContact CD2-CD2 4.46Å; L614-F704 HydrophobicContact CD2-CE1 4.37Å; L614-F704 HydrophobicContact CD2-CE2 3.82Å; L614-F704 HydrophobicContact CD2-CZ 3.71Å; V616-F704 HydrophobicContact CG1-CB 4.12Å; L617-F704 HydrophobicContact CD1-CD1 3.88Å; L617-F704 HydrophobicContact CD1-CE1 3.64Å; L617-F704 HydrophobicContact CD1-CG 4.48Å; L617-F704 HydrophobicContact CD1-CZ 4.17Å; L617-F704 HydrophobicContact CD2-CB 3.91Å; L617-F704 HydrophobicContact CD2-CD1 2.98Å; L617-F704 HydrophobicContact CD2-CE1 3.54Å; L617-F704 HydrophobicContact CD2-CG 3.69Å; L617-F704 HydrophobicContact CG-CB 3.98Å; L617-F704 HydrophobicContact CG-CD1 3.28Å; L617-F704 HydrophobicContact CG-CD2 4.37Å; L617-F704 HydrophobicContact CG-CE1 3.62Å; L617-F704 HydrophobicContact CG-CG 3.63Å; L617-F704 HydrophobicContact CG-CZ 4.33Å; L685-F704 HydrophobicContact CD2-CE1 3.7Å; L685-F704 HydrophobicContact CD2-CZ 3.62Å; M688-F704 HydrophobicContact CE-CD1 4.19Å; M688-F704 HydrophobicContact CE-CE1 4.21Å; L692-F704 HydrophobicContact CD1-CZ 4.32Å; L692-F704 HydrophobicContact CD2-CE1 4.2Å; L692-F704 HydrophobicContact CD2-CE2 3.78Å; L692-F704 HydrophobicContact CD2-CZ 3.56Å; C700-F704 HydrophobicContact CB-CD2 4.43Å; C700-F704 HydrophobicContact CB-CE2 4.39Å; C700-F704 WeakPolarHBondContact O-CB 3.29Å; C700-F704 WeakPolarHBondContact O-CD2 3.31Å; C700-F704 WeakPolarHBondContact O-CG 3.3Å; C700-F704 PolarHBondContact O-N 3.46Å; I701-F704 PolarHBondContact O-N 3Å; L702-F704 VanDerWaalsContact C-N 3.31Å; L702-F704 PolarHBondContact O-N 2.91Å; F704-I707 WeakPolarHBondContact O-CG1 3.47Å
705	S	59.3	Low	71.3	Confident	29 Å²	29	63.2 Å²	63.2	20%	0.203	33%	0.333	C	S	.	.	H	α-helix	trans	-83.2	-14.2	170.3	-53.4	0	0	0	0	112.5	F620 I701 L702 L703	F620-S705 WeakPolarHBondContact CD1-O 3.41Å; F620-S705 WeakPolarHBondContact CD2-O 3.37Å; F620-S705 WeakPolarHBondContact CE1-O 3.37Å; F620-S705 WeakPolarHBondContact CE2-O 3.29Å; F620-S705 VanDerWaalsContact CG-CA 3.49Å; F620-S705 WeakPolarHBondContact CG-O 3.43Å; F620-S705 WeakPolarHBondContact CZ-O 3.33Å; I701-S705 WeakPolarHBondContact O-CB 3.41Å; I701-S705 PolarHBondContact O-N 2.81Å; I701-S705 PolarHBondContact O-OG 2.74Å; L702-S705 CarbonylContact O-C 3.24Å; L702-S705 WeakPolarHBondContact O-CA 3.42Å; L702-S705 WeakPolarHBondContact O-CB 3.32Å; L702-S705 PolarHBondContact O-N 2.83Å; L703-S705 VanDerWaalsContact C-N 3.33Å
706	D	59.2	Low	70.6	Confident	132 Å²	132	63.6 Å²	63.6	71%	0.706	33%	0.334	S	S	*	.	S	Bend	trans	-147	75.9	172.8	-169	16.9	0	0	0	108.3	L702 L703 P708	L702-D706 PolarHBondContact O-N 3.46Å; L703-D706 CarbonylContact O-C 3.57Å; L703-D706 VanDerWaalsContact O-C 3.29Å; D706-P708 WeakPolarHBondContact O-CD 3.37Å
707	I	61.6	Low	70.1	Confident	29 Å²	29	68 Å²	68	15%	0.149	35%	0.346	C	S	.	.			trans	-67.5	124.8	-172.1	-64.5	166.1	0	0	0	108.6	L617 F621 M688 L703 F704 V710	L617-I707 HydrophobicContact CD2-CD1 3.3Å; L617-I707 HydrophobicContact CD2-CG1 4.11Å; F621-I707 HydrophobicContact CD1-CD1 4.17Å; F621-I707 HydrophobicContact CD2-CD1 3.67Å; F621-I707 HydrophobicContact CE1-CD1 3.69Å; F621-I707 HydrophobicContact CE2-CD1 3.15Å; F621-I707 HydrophobicContact CG-CD1 4.19Å; F621-I707 HydrophobicContact CZ-CD1 3.17Å; F621-I707 HydrophobicContact CZ-CG1 4.48Å; F621-I707 HydrophobicContact CZ-CG2 4.48Å; M688-I707 HydrophobicContact CE-CG2 4.13Å; M688-I707 HydrophobicContact SD-CG2 3.74Å; L703-I707 WeakPolarHBondContact O-CA 3.48Å; L703-I707 PolarHBondContact O-N 3.34Å; F704-I707 WeakPolarHBondContact O-CG1 3.47Å; I707-V710 HydrophobicContact CG2-CG2 4.22Å
708	P	64.4	Low	70.2	Confident	55 Å²	55	67 Å²	67	36%	0.357	34%	0.343	S	S	.	.			trans	-56.4	151.7	174.2	-22.1	32.1	0	0	0	111.5	L691 D706 V710	L691-P708 HydrophobicContact CD1-CG 4.27Å; D706-P708 WeakPolarHBondContact O-CD 3.37Å; P708-V710 PolarHBondContact O-N 2.71Å
709	E	63.7	Low	69.9	Low	201 Å²	201	61.9 Å²	61.9	94%	0.939	32%	0.315	S	S	*	.			trans	-52.2	115.4	176.2	-72.2	-173	173.5	0	0	111.5
710	V	64.3	Low	69.6	Low	50 Å²	50	58.6 Å²	58.6	30%	0.303	30%	0.302	S	S	.	.			trans	-79.7	126.7	177.7	177.3	0	0	0	0	109.1	I684 I707 P708 L712 C715	I684-V710 HydrophobicContact CG1-CG1 4.4Å; I684-V710 HydrophobicContact CG2-CG2 4.21Å; I707-V710 HydrophobicContact CG2-CG2 4.22Å; P708-V710 PolarHBondContact O-N 2.71Å; V710-L712 PolarHBondContact O-N 3.08Å; V710-C715 HydrophobicContact CG1-CB 4.01Å
711	N	68.7	Low	69.8	Low	79 Å²	79	61 Å²	61	42%	0.422	32%	0.319	S	S	.	.			trans	-75.2	100.9	171.6	-176.3	-44.2	0	0	0	109	Q687 E713 N714 C715	Q687-N711 PolarHBondContact NE2-O 3.43Å; N711-E713 VanDerWaalsContact C-N 3.32Å; N711-E713 PolarHBondContact O-N 3.13Å; N711-E713 PolarHBondContact OD1-N 2.73Å; N711-E713 VanDerWaalsContact OD1-N 3.13Å; N711-N714 HydrophobicContact CB-CB 4.21Å; N711-N714 PolarHBondContact O-N 2.83Å; N711-N714 PolarHBondContact OD1-N 3.29Å; N711-N714 VanDerWaalsContact OD1-N 3.1Å; N711-C715 WeakPolarHBondContact O-CB 3.39Å; N711-C715 PolarHBondContact O-N 3.33Å
712	L	64.4	Low	70.2	Confident	39 Å²	39	58.8 Å²	58.8	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-35.7	-174.6	-175.2	67.5	0	0	0	114	I653 M657 V665 V710 N714 C715 L716	I653-L712 HydrophobicContact CD1-CD1 3.95Å; M657-L712 HydrophobicContact CE-CD2 4.22Å; M657-L712 HydrophobicContact CG-CD2 4.46Å; M657-L712 HydrophobicContact SD-CD2 3Å; M657-L712 WeakPolarHBondContact SD-CD2 3.18Å; V665-L712 HydrophobicContact CG2-CD2 4.35Å; V710-L712 PolarHBondContact O-N 3.08Å; L712-N714 VanDerWaalsContact C-N 3.33Å; L712-N714 PolarHBondContact O-N 3.04Å; L712-C715 HydrophobicContact CD1-CB 4.39Å; L712-C715 WeakPolarHBondContact O-CB 3.2Å; L712-C715 PolarHBondContact O-N 3.21Å; L712-C715 VanDerWaalsContact O-N 3.15Å; L712-L716 HydrophobicContact CD1-CG 4.23Å; L712-L716 HydrophobicContact CG-CD1 4.22Å; L712-L716 HydrophobicContact CG-CG 4.32Å; L712-L716 WeakPolarHBondContact O-CG 3.4Å; L712-L716 PolarHBondContact O-N 2.67Å
713	E	70.5	Confident	70.5	Confident	119 Å²	119	55.1 Å²	55.1	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-65.3	-41.8	-179.9	-168.6	-174.3	151.8	0	0	110.9	N711 C715 K717	N711-E713 VanDerWaalsContact C-N 3.32Å; N711-E713 PolarHBondContact O-N 3.13Å; N711-E713 PolarHBondContact OD1-N 2.73Å; N711-E713 VanDerWaalsContact OD1-N 3.13Å; E713-C715 VanDerWaalsContact C-N 3.33Å; E713-K717 VanDerWaalsContact O-CG 3.32Å; E713-K717 WeakPolarHBondContact O-CG 3.27Å; E713-K717 PolarHBondContact O-N 3.41Å; E713-K717 VanDerWaalsContact O-N 3.12Å; E713-K717 WeakPolarHBondContact OE1-CE 3.29Å; E713-K717 IonicContact OE1-NZ 3.23Å; E713-K717 PolarHBondContact OE1-NZ 3.03Å
714	N	73.8	Confident	70.9	Confident	69 Å²	69	62.2 Å²	62.2	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-36.5	172.6	-68.8	-14.5	0	0	0	111.2	N711 L712 L716 K717 E718	N711-N714 HydrophobicContact CB-CB 4.21Å; N711-N714 PolarHBondContact O-N 2.83Å; N711-N714 PolarHBondContact OD1-N 3.29Å; N711-N714 VanDerWaalsContact OD1-N 3.1Å; L712-N714 VanDerWaalsContact C-N 3.33Å; L712-N714 PolarHBondContact O-N 3.04Å; N714-L716 PolarHBondContact O-N 3.31Å; N714-K717 PolarHBondContact O-N 3.49Å; N714-E718 WeakPolarHBondContact O-CB 3.47Å; N714-E718 WeakPolarHBondContact O-CG 3.35Å; N714-E718 PolarHBondContact O-N 2.93Å
715	C	72.5	Confident	71.4	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-47.1	178.9	-175.3	0	0	0	0	110.4	A683 Q687 V710 N711 L712 E713 E718 A719	A683-C715 VanDerWaalsContact CB-O 3.27Å; A683-C715 WeakPolarHBondContact CB-O 3.35Å; Q687-C715 VanDerWaalsContact NE2-CB 3.28Å; V710-C715 HydrophobicContact CG1-CB 4.01Å; N711-C715 WeakPolarHBondContact O-CB 3.39Å; N711-C715 PolarHBondContact O-N 3.33Å; L712-C715 HydrophobicContact CD1-CB 4.39Å; L712-C715 WeakPolarHBondContact O-CB 3.2Å; L712-C715 PolarHBondContact O-N 3.21Å; L712-C715 VanDerWaalsContact O-N 3.15Å; E713-C715 VanDerWaalsContact C-N 3.33Å; C715-E718 PolarHBondContact O-N 3.32Å; C715-A719 VanDerWaalsContact O-CB 3.25Å; C715-A719 WeakPolarHBondContact O-CB 3.45Å; C715-A719 PolarHBondContact O-N 3.33Å
716	L	71.4	Confident	72.2	Confident	26 Å²	26	62.3 Å²	62.3	14%	0.136	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-38.4	177.5	-66.2	173.8	0	0	0	112.3	V665 L668 L712 N714 E718 A719 V720	V665-L716 HydrophobicContact CG1-CD2 4.39Å; V665-L716 HydrophobicContact CG2-CD1 3.76Å; V665-L716 HydrophobicContact CG2-CD2 4.08Å; V665-L716 HydrophobicContact CG2-CG 4.45Å; L668-L716 HydrophobicContact CD1-CD2 4.37Å; L712-L716 HydrophobicContact CD1-CG 4.23Å; L712-L716 HydrophobicContact CG-CD1 4.22Å; L712-L716 HydrophobicContact CG-CG 4.32Å; L712-L716 WeakPolarHBondContact O-CG 3.4Å; L712-L716 PolarHBondContact O-N 2.67Å; N714-L716 PolarHBondContact O-N 3.31Å; L716-E718 VanDerWaalsContact C-N 3.35Å; L716-A719 PolarHBondContact O-N 3.13Å; L716-V720 WeakPolarHBondContact O-CB 3.27Å; L716-V720 VanDerWaalsContact O-CG2 3.25Å; L716-V720 WeakPolarHBondContact O-CG2 3.27Å; L716-V720 PolarHBondContact O-N 2.97Å
717	K	78.4	Confident	73.1	Confident	117 Å²	117	56 Å²	56	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.2	-74.8	171.8	-173.1	164.1	0	111.4	E713 N714 S721	E713-K717 VanDerWaalsContact O-CG 3.32Å; E713-K717 WeakPolarHBondContact O-CG 3.27Å; E713-K717 PolarHBondContact O-N 3.41Å; E713-K717 VanDerWaalsContact O-N 3.12Å; E713-K717 WeakPolarHBondContact OE1-CE 3.29Å; E713-K717 IonicContact OE1-NZ 3.23Å; E713-K717 PolarHBondContact OE1-NZ 3.03Å; N714-K717 PolarHBondContact O-N 3.49Å; K717-S721 WeakPolarHBondContact O-CB 3.2Å; K717-S721 PolarHBondContact O-N 3.02Å
718	E	81.1	Confident	73.7	Confident	56 Å²	56	56.4 Å²	56.4	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-40	176.9	-75.1	175	-150.7	0	0	111.9	A683 S686 N714 C715 L716 V720 S721 A722	A683-E718 HydrophobicContact CB-CB 3.71Å; S686-E718 WeakPolarHBondContact CB-OE2 3.27Å; N714-E718 WeakPolarHBondContact O-CB 3.47Å; N714-E718 WeakPolarHBondContact O-CG 3.35Å; N714-E718 PolarHBondContact O-N 2.93Å; C715-E718 PolarHBondContact O-N 3.32Å; L716-E718 VanDerWaalsContact C-N 3.35Å; E718-V720 PolarHBondContact O-N 2.85Å; E718-S721 CarbonylContact O-C 3.17Å; E718-S721 WeakPolarHBondContact O-CA 3.25Å; E718-S721 WeakPolarHBondContact O-CB 3.47Å; E718-S721 PolarHBondContact O-N 3.02Å; E718-S721 VanDerWaalsContact O-N 3.15Å; E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 3.28Å
719	A	75.5	Confident	74.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-41.2	176.6	0	0	0	0	0	111.4	F676 C679 I680 A683 C715 L716 S721 A722 Y723	F676-A719 HydrophobicContact CE2-CB 4.28Å; F676-A719 HydrophobicContact CZ-CB 4.01Å; C679-A719 HydrophobicContact CB-CB 4.32Å; C679-A719 WeakPolarHBondContact CB-O 3.38Å; I680-A719 HydrophobicContact CG1-CB 3.97Å; A683-A719 HydrophobicContact CB-CB 3.93Å; C715-A719 VanDerWaalsContact O-CB 3.25Å; C715-A719 WeakPolarHBondContact O-CB 3.45Å; C715-A719 PolarHBondContact O-N 3.33Å; L716-A719 PolarHBondContact O-N 3.13Å; A719-S721 VanDerWaalsContact C-N 3.34Å; A719-A722 PolarHBondContact O-N 3.07Å; A719-Y723 VanDerWaalsContact O-CB 3.31Å; A719-Y723 WeakPolarHBondContact O-CB 3.48Å; A719-Y723 PolarHBondContact O-N 3.32Å
720	V	76.7	Confident	74.5	Confident	32 Å²	32	45.1 Å²	45.1	19%	0.194	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-38.3	173.1	171.2	0	0	0	0	111.1	L668 F676 L716 E718 R724	L668-V720 HydrophobicContact CD1-CG2 3.89Å; L668-V720 HydrophobicContact CD2-CG2 4.05Å; F676-V720 HydrophobicContact CE2-CG2 4.15Å; F676-V720 HydrophobicContact CZ-CG2 4.05Å; L716-V720 WeakPolarHBondContact O-CB 3.27Å; L716-V720 VanDerWaalsContact O-CG2 3.25Å; L716-V720 WeakPolarHBondContact O-CG2 3.27Å; L716-V720 PolarHBondContact O-N 2.97Å; E718-V720 PolarHBondContact O-N 2.85Å; V720-R724 WeakPolarHBondContact O-CB 3.13Å; V720-R724 VanDerWaalsContact O-CG 3.25Å; V720-R724 WeakPolarHBondContact O-CG 2.94Å; V720-R724 PolarHBondContact O-N 3.22Å
721	S	82.1	Confident	74.7	Confident	51 Å²	51	42.8 Å²	42.8	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-62	-48.4	173.5	-177.2	0	0	0	0	111.4	K717 E718 A719 R724 V725	K717-S721 WeakPolarHBondContact O-CB 3.2Å; K717-S721 PolarHBondContact O-N 3.02Å; E718-S721 CarbonylContact O-C 3.17Å; E718-S721 WeakPolarHBondContact O-CA 3.25Å; E718-S721 WeakPolarHBondContact O-CB 3.47Å; E718-S721 PolarHBondContact O-N 3.02Å; E718-S721 VanDerWaalsContact O-N 3.15Å; A719-S721 VanDerWaalsContact C-N 3.34Å; S721-R724 PolarHBondContact O-N 3.33Å; S721-V725 WeakPolarHBondContact O-CB 3.49Å; S721-V725 VanDerWaalsContact O-CG2 3.29Å; S721-V725 WeakPolarHBondContact O-CG2 3.43Å; S721-V725 PolarHBondContact O-N 2.97Å
722	A	79.3	Confident	74.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.7	-50.9	175.1	0	0	0	0	0	111.4	Y596 C679 V682 E718 A719 R724 V725 I726	Y596-A722 HydrophobicContact CD1-CB 4.49Å; Y596-A722 HydrophobicContact CD2-CB 3.77Å; Y596-A722 HydrophobicContact CE1-CB 4.28Å; Y596-A722 HydrophobicContact CE2-CB 3.57Å; Y596-A722 HydrophobicContact CG-CB 4.23Å; C679-A722 HydrophobicContact CB-CB 4.07Å; V682-A722 HydrophobicContact CG1-CB 4.47Å; E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 3.28Å; A719-A722 PolarHBondContact O-N 3.07Å; A722-R724 PolarHBondContact O-N 3.49Å; A722-V725 PolarHBondContact O-N 2.76Å; A722-I726 HydrophobicContact CB-CD1 3.87Å; A722-I726 WeakPolarHBondContact O-CB 3.41Å; A722-I726 WeakPolarHBondContact O-CG1 3.13Å; A722-I726 PolarHBondContact O-N 3.04Å
723	Y	77	Confident	73.8	Confident	43 Å²	43	40.9 Å²	40.9	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-33.8	178.1	-174.2	-97	0	0	0	112.9	S672 C675 F676 C679 A719 K728 M731	S672-Y723 WeakPolarHBondContact O-CE2 3.29Å; S672-Y723 PolarHBondContact O-OH 2.92Å; C675-Y723 HydrophobicContact CB-CE2 4.38Å; F676-Y723 HydrophobicContact CB-CD2 4.42Å; F676-Y723 AromaticContact CD2-CD2 3.82Å; F676-Y723 HydrophobicContact CD2-CD2 3.82Å; F676-Y723 AromaticContact CD2-CG 3.87Å; F676-Y723 HydrophobicContact CD2-CG 3.87Å; F676-Y723 HydrophobicContact CE2-CG 4.38Å; C679-Y723 WeakPolarHBondContact SG-CA 3.48Å; A719-Y723 VanDerWaalsContact O-CB 3.31Å; A719-Y723 WeakPolarHBondContact O-CB 3.48Å; A719-Y723 PolarHBondContact O-N 3.32Å; Y723-K728 WeakPolarHBondContact O-CE 3.02Å; Y723-K728 PolarHBondContact O-NZ 3.26Å; Y723-M731 HydrophobicContact CD2-CE 4.1Å; Y723-M731 HydrophobicContact CE2-CE 4.39Å
724	R	77.7	Confident	72.6	Confident	179 Å²	179	39.8 Å²	39.8	68%	0.675	18%	0.183	S	C	*	.	H	α-helix	trans	-72.9	-35.9	175.9	-75.3	173.3	178.9	-171	1	112.9	V720 S721 A722 K728	V720-R724 WeakPolarHBondContact O-CB 3.13Å; V720-R724 VanDerWaalsContact O-CG 3.25Å; V720-R724 WeakPolarHBondContact O-CG 2.94Å; V720-R724 PolarHBondContact O-N 3.22Å; S721-R724 PolarHBondContact O-N 3.33Å; A722-R724 PolarHBondContact O-N 3.49Å; R724-K728 PolarHBondContact O-NZ 3.47Å
725	V	77.1	Confident	71	Confident	31 Å²	31	39 Å²	39	19%	0.188	18%	0.182	C	C	.	.	H	α-helix	trans	-94.1	-28.3	-170.6	174.3	0	0	0	0	113	F595 S721 A722 Y787 R847	F595-V725 HydrophobicContact CE1-CG1 4.1Å; F595-V725 WeakPolarHBondContact CE1-O 3.24Å; S721-V725 WeakPolarHBondContact O-CB 3.49Å; S721-V725 VanDerWaalsContact O-CG2 3.29Å; S721-V725 WeakPolarHBondContact O-CG2 3.43Å; S721-V725 PolarHBondContact O-N 2.97Å; A722-V725 PolarHBondContact O-N 2.76Å; V725-Y787 PolarHBondContact O-OH 3.28Å; V725-R847 VanDerWaalsContact CG1-NH2 3.29Å
726	I	76.8	Confident	69.5	Low	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-79.3	130.9	179.2	-59.7	165.4	0	0	0	108.7	A592 F595 Y596 A722 K728 M731	A592-I726 HydrophobicContact CB-CD1 4.16Å; A592-I726 HydrophobicContact CB-CG2 4.49Å; F595-I726 HydrophobicContact CD1-CB 4.39Å; F595-I726 HydrophobicContact CD1-CG1 4.08Å; F595-I726 HydrophobicContact CD1-CG2 4.49Å; Y596-I726 HydrophobicContact CD2-CD1 4.21Å; Y596-I726 HydrophobicContact CD2-CG1 4.09Å; Y596-I726 HydrophobicContact CG-CD1 4.3Å; Y596-I726 HydrophobicContact CG-CG1 4.49Å; A722-I726 HydrophobicContact CB-CD1 3.87Å; A722-I726 WeakPolarHBondContact O-CB 3.41Å; A722-I726 WeakPolarHBondContact O-CG1 3.13Å; A722-I726 PolarHBondContact O-N 3.04Å; I726-K728 PolarHBondContact O-NZ 2.94Å; I726-M731 HydrophobicContact CB-CE 4.12Å; I726-M731 HydrophobicContact CB-SD 4.1Å; I726-M731 HydrophobicContact CD1-SD 4.38Å; I726-M731 HydrophobicContact CG2-CE 4.08Å; I726-M731 HydrophobicContact CG2-CG 3.66Å; I726-M731 HydrophobicContact CG2-SD 3.8Å
727	P	77.4	Confident	67.9	Low	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.			trans	-61	134.2	171.1	-9.9	18.5	0	0	0	110.5	F595 S729 L730 I779 E783 Y787	F595-P727 HydrophobicContact CD2-CG 4.29Å; F595-P727 HydrophobicContact CE1-CG 4.46Å; F595-P727 HydrophobicContact CE2-CG 3.88Å; F595-P727 HydrophobicContact CZ-CG 3.97Å; P727-S729 VanDerWaalsContact C-N 3.28Å; P727-S729 PolarHBondContact O-N 2.92Å; P727-L730 HydrophobicContact CB-CD1 4.28Å; P727-L730 HydrophobicContact CB-CG 4.02Å; P727-L730 HydrophobicContact CG-CD1 3.72Å; P727-L730 HydrophobicContact CG-CG 4.03Å; P727-L730 WeakPolarHBondContact O-CB 3.03Å; P727-L730 PolarHBondContact O-N 3.49Å; P727-L730 VanDerWaalsContact O-N 3.11Å; P727-I779 HydrophobicContact CB-CD1 3.98Å; P727-I779 HydrophobicContact CB-CG1 4.43Å; P727-I779 HydrophobicContact CG-CD1 3.97Å; P727-E783 HydrophobicContact CB-CB 4.47Å; P727-Y787 HydrophobicContact CB-CE2 3.93Å; P727-Y787 HydrophobicContact CG-CD2 4.36Å; P727-Y787 HydrophobicContact CG-CE2 3.58Å
728	K	74.7	Confident	65.6	Low	37 Å²	37	36.8 Å²	36.8	16%	0.161	19%	0.185	C	C	.	.	H	α-helix	trans	-74.3	-29.6	-170.2	-76.5	66.2	-174.5	158.2	0	109.3	Y723 R724 I726 L730 M731 Y732 L752 E783	Y723-K728 WeakPolarHBondContact O-CE 3.02Å; Y723-K728 PolarHBondContact O-NZ 3.26Å; R724-K728 PolarHBondContact O-NZ 3.47Å; I726-K728 PolarHBondContact O-NZ 2.94Å; K728-L730 PolarHBondContact O-N 3.01Å; K728-M731 HydrophobicContact CD-CE 4.4Å; K728-M731 HydrophobicContact CG-CE 4.12Å; K728-M731 CarbonylContact O-C 3.56Å; K728-M731 WeakPolarHBondContact O-CA 3.38Å; K728-M731 PolarHBondContact O-N 3.24Å; K728-Y732 VanDerWaalsContact O-CB 3.29Å; K728-Y732 WeakPolarHBondContact O-CB 3.42Å; K728-Y732 PolarHBondContact O-N 2.85Å; K728-L752 HydrophobicContact CB-CD1 3.48Å; K728-L752 VanDerWaalsContact CB-CD1 3.48Å; K728-L752 HydrophobicContact CB-CG 4.2Å; K728-E783 PolarHBondContact N-OE1 2.81Å; K728-E783 PolarHBondContact N-OE2 2.68Å
729	S	72.7	Confident	63.3	Low	17 Å²	17	36.9 Å²	36.9	12%	0.119	19%	0.189	C	C	.	.	H	α-helix	trans	-57.7	-31	169.7	52.4	0	0	0	0	113.5	P727 M731 Y732 E778 I779 C780 E783	P727-S729 VanDerWaalsContact C-N 3.28Å; P727-S729 PolarHBondContact O-N 2.92Å; S729-M731 VanDerWaalsContact C-N 3.35Å; S729-Y732 PolarHBondContact O-N 3.28Å; S729-E778 CarbonylContact C-O 3.5Å; S729-E778 WeakPolarHBondContact CB-O 3.21Å; S729-I779 WeakPolarHBondContact OG-CA 2.88Å; S729-C780 PolarHBondContact OG-N 2.99Å; S729-C780 VanDerWaalsContact OG-N 3.09Å; S729-E783 WeakPolarHBondContact CB-OE2 3.47Å; S729-E783 PolarHBondContact N-OE2 2.8Å; S729-E783 PolarHBondContact OG-OE2 3.06Å
730	L	73.1	Confident	61.2	Low	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-77.4	-22.9	174.5	-56.8	-172.8	0	0	0	113.6	F595 P727 K728 P777 I779 M848 V891	F595-L730 HydrophobicContact CB-CD1 4.29Å; F595-L730 HydrophobicContact CD2-CD1 3.91Å; F595-L730 HydrophobicContact CG-CD1 4.24Å; P727-L730 HydrophobicContact CB-CD1 4.28Å; P727-L730 HydrophobicContact CB-CG 4.02Å; P727-L730 HydrophobicContact CG-CD1 3.72Å; P727-L730 HydrophobicContact CG-CG 4.03Å; P727-L730 WeakPolarHBondContact O-CB 3.03Å; P727-L730 PolarHBondContact O-N 3.49Å; P727-L730 VanDerWaalsContact O-N 3.11Å; K728-L730 PolarHBondContact O-N 3.01Å; L730-P777 HydrophobicContact CD2-CB 4.16Å; L730-I779 HydrophobicContact CD2-CB 4.28Å; L730-M848 HydrophobicContact CD1-CE 4.12Å; L730-V891 HydrophobicContact CD1-CG1 3.9Å; L730-V891 HydrophobicContact CD1-CG2 4.19Å; L730-V891 HydrophobicContact CD2-CG1 3.31Å; L730-V891 HydrophobicContact CG-CG1 4.24Å
731	M	68.3	Low	59	Low	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-92.1	-7.2	173.5	-62.3	-173.5	-68.1	0	0	112.3	V588 A592 C675 C679 Y723 I726 K728 S729	V588-M731 VanDerWaalsContact CG1-CA 3.46Å; V588-M731 HydrophobicContact CG1-CB 4.43Å; V588-M731 VanDerWaalsContact CG1-O 3.31Å; V588-M731 WeakPolarHBondContact CG1-O 3.46Å; A592-M731 HydrophobicContact CB-CG 4.34Å; C675-M731 HydrophobicContact CB-CB 3.85Å; C675-M731 HydrophobicContact CB-CE 4.37Å; C675-M731 HydrophobicContact CB-SD 4.31Å; C675-M731 PolarHBondContact SG-O 3.05Å; C675-M731 VanDerWaalsContact SG-O 3.35Å; C679-M731 PolarHBondContact SG-SD 3.35Å; Y723-M731 HydrophobicContact CD2-CE 4.1Å; Y723-M731 HydrophobicContact CE2-CE 4.39Å; I726-M731 HydrophobicContact CB-CE 4.12Å; I726-M731 HydrophobicContact CB-SD 4.1Å; I726-M731 HydrophobicContact CD1-SD 4.38Å; I726-M731 HydrophobicContact CG2-CE 4.08Å; I726-M731 HydrophobicContact CG2-CG 3.66Å; I726-M731 HydrophobicContact CG2-SD 3.8Å; K728-M731 HydrophobicContact CD-CE 4.4Å; K728-M731 HydrophobicContact CG-CE 4.12Å; K728-M731 CarbonylContact O-C 3.56Å; K728-M731 WeakPolarHBondContact O-CA 3.38Å; K728-M731 PolarHBondContact O-N 3.24Å; S729-M731 VanDerWaalsContact C-N 3.35Å
732	Y	60.1	Low	56.4	Low	64 Å²	64	44.5 Å²	44.5	25%	0.251	23%	0.23	S	C	.	.			trans	-95.8	139.3	-178.4	-176.5	-92.9	0	0	0	110	K728 S729 R734 S737	K728-Y732 VanDerWaalsContact O-CB 3.29Å; K728-Y732 WeakPolarHBondContact O-CB 3.42Å; K728-Y732 PolarHBondContact O-N 2.85Å; S729-Y732 PolarHBondContact O-N 3.28Å; Y732-R734 HydrophobicContact CE1-CG 3.97Å; Y732-S737 WeakPolarHBondContact CE2-OG 3.34Å; Y732-S737 WeakPolarHBondContact OH-CB 3.49Å; Y732-S737 PolarHBondContact OH-OG 3.27Å
733	N	52.8	Low	54.1	Low	14 Å²	14	45.7 Å²	45.7	8%	0.075	24%	0.238	C	C	.	.			trans	-138.4	121.3	175.1	-171.1	-15	0	0	0	109.4	E584 V588 P735 L736 S737	E584-N733 WeakPolarHBondContact CB-ND2 3.46Å; V588-N733 HydrophobicContact CG2-CB 3.7Å; N733-P735 WeakPolarHBondContact OD1-CD 3.49Å; N733-P735 WeakPolarHBondContact OD1-CG 3.18Å; N733-L736 HydrophobicContact CB-CB 3.8Å; N733-L736 WeakPolarHBondContact O-CB 3.45Å; N733-L736 PolarHBondContact O-N 3.29Å; N733-L736 VanDerWaalsContact O-N 3.14Å; N733-S737 PolarHBondContact O-N 3.2Å; N733-S737 PolarHBondContact O-OG 2.99Å
734	R	46.8	Very low	51.8	Low	95 Å²	95	48.3 Å²	48.3	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-54.5	-52.3	-175.2	-84.2	-171.2	-149.1	155.6	22.3	113.1	Y732 S737 A738 M762 E778	Y732-R734 HydrophobicContact CE1-CG 3.97Å; R734-S737 PolarHBondContact O-N 2.93Å; R734-A738 WeakPolarHBondContact O-CB 3.41Å; R734-A738 PolarHBondContact O-N 3.42Å; R734-M762 PolarHBondContact NH2-SD 3.1Å; R734-E778 IonicContact NH2-OE2 3.15Å
735	P	39.8	Very low	49.8	Very low	53 Å²	53	41.1 Å²	41.1	34%	0.344	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-39.5	174.8	15.3	-29.4	0	0	0	113.3	E584 N733 S737 A738 V739	E584-P735 WeakPolarHBondContact OE1-CG 3.49Å; E584-P735 WeakPolarHBondContact OE2-CB 3.35Å; E584-P735 WeakPolarHBondContact OE2-CG 3.31Å; N733-P735 WeakPolarHBondContact OD1-CD 3.49Å; N733-P735 WeakPolarHBondContact OD1-CG 3.18Å; P735-S737 VanDerWaalsContact C-N 3.34Å; P735-S737 PolarHBondContact O-N 3.44Å; P735-A738 PolarHBondContact O-N 3.36Å; P735-V739 VanDerWaalsContact O-CG2 3.3Å; P735-V739 WeakPolarHBondContact O-CG2 3.37Å; P735-V739 PolarHBondContact O-N 2.97Å
736	L	40	Very low	47.8	Very low	21 Å²	21	44.2 Å²	44.2	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-44.7	174	-157.2	92.7	0	0	0	111.2	L581 N733 V739 L740	L581-L736 HydrophobicContact CD1-CD1 3.55Å; L581-L736 HydrophobicContact CD1-CG 4.33Å; L581-L736 HydrophobicContact CG-CD1 3.85Å; N733-L736 HydrophobicContact CB-CB 3.8Å; N733-L736 WeakPolarHBondContact O-CB 3.45Å; N733-L736 PolarHBondContact O-N 3.29Å; N733-L736 VanDerWaalsContact O-N 3.14Å; L736-V739 PolarHBondContact O-N 2.88Å; L736-L740 HydrophobicContact CD2-CD1 4.33Å; L736-L740 HydrophobicContact CG-CD1 4.23Å; L736-L740 WeakPolarHBondContact O-CB 3.48Å; L736-L740 WeakPolarHBondContact O-CD1 3.35Å; L736-L740 WeakPolarHBondContact O-CG 3.49Å; L736-L740 PolarHBondContact O-N 3.35Å
737	S	39.4	Very low	45.6	Very low	21 Å²	21	45.5 Å²	45.5	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-39.4	174.7	-61.7	0	0	0	0	112.1	Y732 N733 R734 P735 V739 L740 S741	Y732-S737 WeakPolarHBondContact CE2-OG 3.34Å; Y732-S737 WeakPolarHBondContact OH-CB 3.49Å; Y732-S737 PolarHBondContact OH-OG 3.27Å; N733-S737 PolarHBondContact O-N 3.2Å; N733-S737 PolarHBondContact O-OG 2.99Å; R734-S737 PolarHBondContact O-N 2.93Å; P735-S737 VanDerWaalsContact C-N 3.34Å; P735-S737 PolarHBondContact O-N 3.44Å; S737-V739 PolarHBondContact O-N 3.05Å; S737-L740 CarbonylContact O-C 3.36Å; S737-L740 PolarHBondContact O-N 3.24Å; S737-S741 WeakPolarHBondContact O-CA 3.48Å; S737-S741 WeakPolarHBondContact O-CB 3.29Å; S737-S741 PolarHBondContact O-N 3.37Å; S737-S741 PolarHBondContact O-OG 3.12Å
738	A	29.8	Very low	43.5	Very low	55 Å²	55	48.9 Å²	48.9	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-34.3	176.2	0	0	0	0	0	113	R734 P735 S741	R734-A738 WeakPolarHBondContact O-CB 3.41Å; R734-A738 PolarHBondContact O-N 3.42Å; P735-A738 PolarHBondContact O-N 3.36Å; A738-S741 WeakPolarHBondContact CA-OG 3.38Å; A738-S741 PolarHBondContact O-OG 3.14Å; A738-S741 VanDerWaalsContact O-OG 3.07Å
739	V	31.9	Very low	41.4	Very low	59 Å²	59	50.9 Å²	50.9	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-72.7	-31.8	175.4	172.2	0	0	0	0	111.1	K560 L581 P735 L736 S737	K560-V739 PolarHBondContact NZ-O 3.49Å; L581-V739 HydrophobicContact CD1-CB 3.88Å; L581-V739 HydrophobicContact CD1-CG1 3.88Å; L581-V739 HydrophobicContact CD1-CG2 3.95Å; L581-V739 HydrophobicContact CD2-CG1 4.31Å; P735-V739 VanDerWaalsContact O-CG2 3.3Å; P735-V739 WeakPolarHBondContact O-CG2 3.37Å; P735-V739 PolarHBondContact O-N 2.97Å; L736-V739 PolarHBondContact O-N 2.88Å; S737-V739 PolarHBondContact O-N 3.05Å
740	L	31.6	Very low	39.3	Very low	33 Å²	33	55.5 Å²	55.5	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-84.6	-28	176.5	-64.1	169.9	0	0	0	112.7	S557 N674 L736 S737 N742 S743	S557-L740 WeakPolarHBondContact O-CD2 3.28Å; N674-L740 HydrophobicContact CB-CD1 4.25Å; N674-L740 WeakPolarHBondContact ND2-CD1 3.43Å; L736-L740 HydrophobicContact CD2-CD1 4.33Å; L736-L740 HydrophobicContact CG-CD1 4.23Å; L736-L740 WeakPolarHBondContact O-CB 3.48Å; L736-L740 WeakPolarHBondContact O-CD1 3.35Å; L736-L740 WeakPolarHBondContact O-CG 3.49Å; L736-L740 PolarHBondContact O-N 3.35Å; S737-L740 CarbonylContact O-C 3.36Å; S737-L740 PolarHBondContact O-N 3.24Å; L740-N742 VanDerWaalsContact C-N 3.32Å; L740-N742 PolarHBondContact O-N 3.46Å; L740-S743 PolarHBondContact O-N 2.99Å; L740-S743 VanDerWaalsContact O-N 3.15Å; L740-S743 PolarHBondContact O-OG 3.03Å
741	S	30.7	Very low	37.4	Very low	64 Å²	64	56.4 Å²	56.4	45%	0.448	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.9	-176.1	69.7	0	0	0	0	114.9	S737 A738 S743	S737-S741 WeakPolarHBondContact O-CA 3.48Å; S737-S741 WeakPolarHBondContact O-CB 3.29Å; S737-S741 PolarHBondContact O-N 3.37Å; S737-S741 PolarHBondContact O-OG 3.12Å; A738-S741 WeakPolarHBondContact CA-OG 3.38Å; A738-S741 PolarHBondContact O-OG 3.14Å; A738-S741 VanDerWaalsContact O-OG 3.07Å; S741-S743 CarbonylContact C-O 3.6Å; S741-S743 PolarHBondContact O-N 3.13Å; S741-S743 VanDerWaalsContact O-O 3.08Å
742	N	27.7	Very low	35.5	Very low	145 Å²	145	58.8 Å²	58.8	78%	0.775	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.4	169.4	-88	-9.4	0	0	0	112.5	L740	L740-N742 VanDerWaalsContact C-N 3.32Å; L740-N742 PolarHBondContact O-N 3.46Å
743	S	29.8	Very low	33.8	Very low	25 Å²	25	62.5 Å²	62.5	18%	0.175	34%	0.342	C	S	.	.	S	Bend	trans	-88	126.4	158.2	68.7	0	0	0	0	107.8	L740 S741 S745	L740-S743 PolarHBondContact O-N 2.99Å; L740-S743 VanDerWaalsContact O-N 3.15Å; L740-S743 PolarHBondContact O-OG 3.03Å; S741-S743 CarbonylContact C-O 3.6Å; S741-S743 PolarHBondContact O-N 3.13Å; S741-S743 VanDerWaalsContact O-O 3.08Å; S743-S745 PolarHBondContact O-N 2.97Å
744	A	30.5	Very low	32.5	Very low	99 Å²	99	65.3 Å²	65.3	82%	0.818	36%	0.36	S	S	*	.	S	Bend	trans	-66.7	27.7	-174.4	0	0	0	0	0	114.7
745	S	34.4	Very low	31.5	Very low	27 Å²	27	63.8 Å²	63.8	19%	0.189	37%	0.374	C	S	.	.			trans	-94.9	101	173.3	76.8	0	0	0	0	109.8	S743 I747	S743-S745 PolarHBondContact O-N 2.97Å; S745-I747 PolarHBondContact O-N 3.38Å
746	W	34.7	Very low	30.8	Very low	97 Å²	97	63 Å²	63	37%	0.367	38%	0.375	S	S	.	.			trans	-67.3	39.6	172	49.1	-81.1	0	0	0	112.7	R437 D462 D748 D749	R437-W746 HydrophobicContact CB-CH2 4.45Å; R437-W746 HydrophobicContact CG-CH2 4.23Å; R437-W746 VanDerWaalsContact NH1-CH2 3.32Å; D462-W746 PolarHBondContact OD2-NE1 3.42Å; W746-D748 PolarHBondContact O-N 3.35Å; W746-D749 HydrophobicContact CE3-CB 4.11Å; W746-D749 VanDerWaalsContact CE3-OD2 3.31Å; W746-D749 HydrophobicContact CZ3-CB 4.39Å; W746-D749 PolarHBondContact O-N 3.27Å
747	I	31.9	Very low	30.2	Very low	26 Å²	26	72.1 Å²	72.1	13%	0.133	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-57	-13.3	178.1	-70.5	172.9	0	0	0	111.9	S745 D749	S745-I747 PolarHBondContact O-N 3.38Å; I747-D749 VanDerWaalsContact C-N 3.31Å; I747-D749 PolarHBondContact O-N 3.09Å
748	D	33.1	Very low	29.6	Very low	72 Å²	72	78.7 Å²	78.7	39%	0.385	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-64.2	-22.3	175.5	-67.9	-26.4	0	0	0	115.1	W746 Y750 V751	W746-D748 PolarHBondContact O-N 3.35Å; D748-Y750 PolarHBondContact O-N 3.36Å; D748-V751 CarbonylContact O-C 3.21Å; D748-V751 PolarHBondContact O-N 3.33Å
749	D	29.8	Very low	29.5	Very low	78 Å²	78	76.7 Å²	76.7	42%	0.417	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22.3	-175	-91.7	-13.3	0	0	0	114.3	W746 I747	W746-D749 HydrophobicContact CE3-CB 4.11Å; W746-D749 VanDerWaalsContact CE3-OD2 3.31Å; W746-D749 HydrophobicContact CZ3-CB 4.39Å; W746-D749 PolarHBondContact O-N 3.27Å; I747-D749 VanDerWaalsContact C-N 3.31Å; I747-D749 PolarHBondContact O-N 3.09Å
750	Y	30.1	Very low	29.2	Very low	114 Å²	114	79.5 Å²	79.5	45%	0.447	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-19.9	174.4	-97.1	-97.9	0	0	0	114.1	E438 I441 D748 L752	E438-Y750 HydrophobicContact CB-CE2 3.62Å; E438-Y750 HydrophobicContact CG-CE2 3.67Å; I441-Y750 HydrophobicContact CG2-CG 4.43Å; D748-Y750 PolarHBondContact O-N 3.36Å; Y750-L752 VanDerWaalsContact C-N 3.25Å; Y750-L752 PolarHBondContact O-N 3.44Å; Y750-L752 VanDerWaalsContact O-N 3.13Å
751	V	32.6	Very low	28.8	Very low	21 Å²	21	87.2 Å²	87.2	13%	0.127	48%	0.48	C	S	.	.	S	Bend	trans	-87.7	74.2	168.7	-174.6	0	0	0	0	107.6	D748	D748-V751 CarbonylContact O-C 3.21Å; D748-V751 PolarHBondContact O-N 3.33Å
752	L	27.6	Very low	28.7	Very low	52 Å²	52	88.3 Å²	88.3	27%	0.272	48%	0.479	S	S	.	.			trans	58.5	121.1	-176.4	-67.7	159.6	0	0	0	113.4	K728 Y750 V754	K728-L752 HydrophobicContact CB-CD1 3.48Å; K728-L752 VanDerWaalsContact CB-CD1 3.48Å; K728-L752 HydrophobicContact CB-CG 4.2Å; Y750-L752 VanDerWaalsContact C-N 3.25Å; Y750-L752 PolarHBondContact O-N 3.44Å; Y750-L752 VanDerWaalsContact O-N 3.13Å; L752-V754 HydrophobicContact CB-CG2 3.74Å; L752-V754 PolarHBondContact O-N 2.81Å
753	K	24.1	Very low	28.7	Very low	142 Å²	142	89.4 Å²	89.4	62%	0.617	48%	0.48	S	S	*	.			trans	-63.4	60.3	164.7	-74.3	-173	172.2	-177	0	112.3	G755	K753-G755 PolarHBondContact O-N 3Å
754	V	27.4	Very low	28.8	Very low	72 Å²	72	97.8 Å²	97.8	44%	0.436	52%	0.516	S	S	.	.	S	Bend	trans	-83.3	65.5	165.2	-164.4	0	0	0	0	107.2	L752	L752-V754 HydrophobicContact CB-CG2 3.74Å; L752-V754 PolarHBondContact O-N 2.81Å
755	G	25.5	Very low	29	Very low	64 Å²	64	96.6 Å²	96.6	66%	0.66	50%	0.495	S	S	*	.	S	Bend	trans	172.6	-15.4	174.9	0	0	0	0	0	115.4	K753	K753-G755 PolarHBondContact O-N 3Å
756	G	24.3	Very low	29.1	Very low	35 Å²	35	98.5 Å²	98.5	36%	0.361	51%	0.509	S	S	.	.	S	Bend	trans	-71.4	175.7	163.4	0	0	0	0	0	110.9	L758 G759	G756-L758 CarbonylContact O-C 3.44Å; G756-L758 PolarHBondContact O-N 3.02Å; G756-G759 WeakPolarHBondContact O-CA 3.41Å; G756-G759 PolarHBondContact O-N 2.83Å
757	E	27.4	Very low	29.5	Very low	214 Å²	214	102.4 Å²	102.4	100%	1	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-12	-175.8	-69.8	-177.7	153.6	0	0	116.4
758	L	27.9	Very low	29.9	Very low	158 Å²	158	107 Å²	107	83%	0.827	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-18.5	172.9	-70.2	164.4	0	0	0	114.8	G756 M760	G756-L758 CarbonylContact O-C 3.44Å; G756-L758 PolarHBondContact O-N 3.02Å; L758-M760 PolarHBondContact O-N 3.1Å
759	G	27.6	Very low	30.4	Very low	13 Å²	13	108.6 Å²	108.6	13%	0.134	56%	0.558	C	S	.	*	S	Bend	trans	-82.2	100.7	167.1	0	0	0	0	0	108.7	G756 Q761	G756-G759 WeakPolarHBondContact O-CA 3.41Å; G756-G759 PolarHBondContact O-N 2.83Å; G759-Q761 PolarHBondContact O-N 3.02Å
760	M	23.7	Very low	31.2	Very low	119 Å²	119	109 Å²	109	59%	0.586	56%	0.56	S	S	*	*			trans	-39.1	129	179.1	-65.6	174.7	63.3	0	0	111.1	L758 M762	L758-M760 PolarHBondContact O-N 3.1Å; M760-M762 HydrophobicContact CB-CG 4.36Å; M760-M762 HydrophobicContact CB-SD 4.21Å; M760-M762 HydrophobicContact CE-CE 4.43Å; M760-M762 PolarHBondContact O-N 3.18Å; M760-M762 HydrophobicContact SD-CE 4.24Å
761	Q	23.5	Very low	31.7	Very low	195 Å²	195	113.1 Å²	113.1	91%	0.911	58%	0.575	S	S	*	*			trans	-58.6	83.4	154	-78	-174.5	-11.9	0	0	106.6	G759 E763	G759-Q761 PolarHBondContact O-N 3.02Å; Q761-E763 PolarHBondContact O-N 3.44Å
762	M	29.4	Very low	32.1	Very low	86 Å²	86	120.1 Å²	120.1	42%	0.424	61%	0.606	S	S	.	*			trans	-75.4	101.1	178.9	-116.7	139.9	168.9	0	0	105.6	R734 M760	R734-M762 PolarHBondContact NH2-SD 3.1Å; M760-M762 HydrophobicContact CB-CG 4.36Å; M760-M762 HydrophobicContact CB-SD 4.21Å; M760-M762 HydrophobicContact CE-CE 4.43Å; M760-M762 PolarHBondContact O-N 3.18Å; M760-M762 HydrophobicContact SD-CE 4.24Å
763	E	28.3	Very low	33	Very low	169 Å²	169	119.5 Å²	119.5	79%	0.79	60%	0.603	S	S	*	*			trans	-44.1	141.3	177.3	-72.1	177.6	152.7	0	0	110.5	Q761 I765	Q761-E763 PolarHBondContact O-N 3.44Å; E763-I765 VanDerWaalsContact C-N 3.32Å; E763-I765 PolarHBondContact O-N 3.31Å
764	Q	32	Very low	34.2	Very low	200 Å²	200	114.7 Å²	114.7	94%	0.935	59%	0.594	S	S	*	*			trans	-58.9	94	174.1	-74.4	179.3	-21	0	0	109.1	S766	Q764-S766 PolarHBondContact O-N 2.89Å
765	I	33.4	Very low	35.5	Very low	74 Å²	74	116 Å²	116	38%	0.379	60%	0.598	S	S	.	*			trans	-66.7	130.9	168.8	-60.7	174.1	0	0	0	106.5	E763 K767 E769	E763-I765 VanDerWaalsContact C-N 3.32Å; E763-I765 PolarHBondContact O-N 3.31Å; I765-K767 PolarHBondContact O-N 3.47Å; I765-E769 HydrophobicContact CG2-CB 4.33Å
766	S	36.9	Very low	37.4	Very low	68 Å²	68	114.7 Å²	114.7	48%	0.476	57%	0.574	S	S	.	*			trans	-58.3	133.9	-173.9	47.7	0	0	0	0	111.7	Q764 D768 E769	Q764-S766 PolarHBondContact O-N 2.89Å; S766-D768 PolarHBondContact O-N 3.28Å; S766-E769 PolarHBondContact O-N 3.2Å
767	K	43.7	Very low	39.6	Very low	179 Å²	179	113.6 Å²	113.6	78%	0.778	56%	0.56	S	S	*	*	H	α-helix	trans	-48.5	-20.9	-179	-68.2	-176.1	175.1	-175.4	0	115.5	I765	I765-K767 PolarHBondContact O-N 3.47Å
768	D	39.7	Very low	41.8	Very low	121 Å²	121	107.4 Å²	107.4	65%	0.647	53%	0.532	S	S	*	.	H	α-helix	trans	-77.7	-29.2	-178.6	-63.7	-33.6	0	0	0	113	S766	S766-D768 PolarHBondContact O-N 3.28Å
769	E	44.3	Very low	44	Very low	107 Å²	107	101.4 Å²	101.4	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-78	-28.6	-179.3	-72.8	-166.5	159.7	0	0	113.5	I765 S766 N773	I765-E769 HydrophobicContact CG2-CB 4.33Å; S766-E769 PolarHBondContact O-N 3.2Å; E769-N773 WeakPolarHBondContact O-CB 3.21Å; E769-N773 PolarHBondContact O-ND2 2.71Å
770	D	44.8	Very low	46.2	Very low	85 Å²	85	102.8 Å²	102.8	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-72.9	-30.4	178.5	-77.2	-24.1	0	0	0	112.1	G774	D770-G774 PolarHBondContact O-N 3.43Å
771	R	42.7	Very low	48.5	Very low	202 Å²	202	99.5 Å²	99.5	76%	0.762	50%	0.499	S	S	*	.	H	α-helix	trans	-68.7	-39.3	-178.2	-77.5	-177.2	173.3	179.4	-2.2	113.6
772	E	40.5	Very low	50.7	Low	168 Å²	168	95.4 Å²	95.4	79%	0.785	48%	0.483	S	S	*	.	H	α-helix	trans	-81.3	-27.9	179.7	-79.4	-168.9	159.4	0	0	113.1
773	N	45.6	Very low	52.9	Low	39 Å²	39	92.3 Å²	92.3	21%	0.209	47%	0.468	C	S	.	.	H	α-helix	trans	-91.2	-24.6	-170.7	-70.6	-49.9	0	0	0	113.8	E769 F776	E769-N773 WeakPolarHBondContact O-CB 3.21Å; E769-N773 PolarHBondContact O-ND2 2.71Å; N773-F776 HydrophobicContact CB-CE2 4.15Å; N773-F776 WeakPolarHBondContact O-CE2 3.36Å; N773-F776 WeakPolarHBondContact O-CZ 3.1Å
774	G	49	Very low	55.2	Low	40 Å²	40	84.5 Å²	84.5	41%	0.412	43%	0.431	S	S	.	.			trans	82.9	157.6	-177.9	0	0	0	0	0	113.1	D770 F776	D770-G774 PolarHBondContact O-N 3.43Å; G774-F776 WeakPolarHBondContact O-CD2 3.46Å; G774-F776 WeakPolarHBondContact O-CE2 3.47Å; G774-F776 PolarHBondContact O-N 2.86Å
775	L	55.8	Low	57.4	Low	100 Å²	100	78.2 Å²	78.2	52%	0.524	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.9	118.5	176.3	-80.6	120.1	0	0	0	109.9	E584	E584-L775 HydrophobicContact CG-CD1 3.89Å; E584-L775 HydrophobicContact CG-CD2 4.07Å
776	F	64.9	Low	59.4	Low	36 Å²	36	80.7 Å²	80.7	16%	0.158	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-103.9	137.7	172.3	-60.5	-81.8	0	0	0	109.2	N773 G774 E778 R861 Y864 R865	N773-F776 HydrophobicContact CB-CE2 4.15Å; N773-F776 WeakPolarHBondContact O-CE2 3.36Å; N773-F776 WeakPolarHBondContact O-CZ 3.1Å; G774-F776 WeakPolarHBondContact O-CD2 3.46Å; G774-F776 WeakPolarHBondContact O-CE2 3.47Å; G774-F776 PolarHBondContact O-N 2.86Å; F776-E778 PolarHBondContact O-N 2.89Å; F776-R861 HydrophobicContact CB-CG 4.47Å; F776-R861 HydrophobicContact CD1-CB 4.49Å; F776-R861 HydrophobicContact CD2-CB 3.82Å; F776-R861 HydrophobicContact CD2-CG 3.57Å; F776-R861 HydrophobicContact CE1-CB 4.34Å; F776-R861 HydrophobicContact CE2-CB 3.64Å; F776-R861 HydrophobicContact CE2-CG 3.9Å; F776-R861 HydrophobicContact CG-CB 4.24Å; F776-R861 HydrophobicContact CG-CG 3.97Å; F776-R861 HydrophobicContact CZ-CB 3.91Å; F776-Y864 AromaticContact CD1-CD1 3.29Å; F776-Y864 HydrophobicContact CD1-CD1 3.29Å; F776-Y864 AromaticContact CD1-CE1 3.58Å; F776-Y864 HydrophobicContact CD1-CE1 3.58Å; F776-Y864 HydrophobicContact CD1-CG 4.14Å; F776-Y864 AromaticContact CE1-CD1 3.6Å; F776-Y864 HydrophobicContact CE1-CD1 3.6Å; F776-Y864 HydrophobicContact CE1-CE1 4.08Å; F776-Y864 HydrophobicContact CG-CD1 4.49Å; F776-R865 HydrophobicContact CE1-CB 4.17Å
777	P	70.4	Confident	61.2	Low	12 Å²	12	77.9 Å²	77.9	8%	0.078	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-64	133.5	170.5	29.1	-33.7	0	0	0	109.5	N591 L730 Y864 V891	N591-P777 HydrophobicContact CB-CB 4.44Å; L730-P777 HydrophobicContact CD2-CB 4.16Å; P777-Y864 HydrophobicContact CG-CE2 4.23Å; P777-V891 HydrophobicContact CB-CG1 3.97Å; P777-V891 HydrophobicContact CG-CG1 4.15Å
778	E	73.1	Confident	62.7	Low	84 Å²	84	70.7 Å²	70.7	39%	0.393	36%	0.358	S	S	.	.			trans	-121.3	128.7	179.5	-68.5	-175.4	170.3	0	0	109.1	S729 R734 F776 R861	S729-E778 CarbonylContact C-O 3.5Å; S729-E778 WeakPolarHBondContact CB-O 3.21Å; R734-E778 IonicContact NH2-OE2 3.15Å; F776-E778 PolarHBondContact O-N 2.89Å; E778-R861 IonicContact OE1-CZ 3.54Å; E778-R861 IonicContact OE1-NE 3.6Å; E778-R861 IonicContact OE1-NH2 3.13Å; E778-R861 PolarHBondContact OE1-NH2 3.22Å
779	I	74.3	Confident	64.4	Low	32 Å²	32	70.9 Å²	70.9	16%	0.164	36%	0.359	C	S	.	.			trans	-99.9	134.7	173.4	-174.2	162.7	0	0	0	111.3	P727 S729 L730 E783 L784 Y787 M848 V850	P727-I779 HydrophobicContact CB-CD1 3.98Å; P727-I779 HydrophobicContact CB-CG1 4.43Å; P727-I779 HydrophobicContact CG-CD1 3.97Å; S729-I779 WeakPolarHBondContact OG-CA 2.88Å; L730-I779 HydrophobicContact CD2-CB 4.28Å; I779-E783 HydrophobicContact CD1-CB 4.31Å; I779-E783 HydrophobicContact CG1-CB 4.17Å; I779-L784 HydrophobicContact CD1-CB 4.22Å; I779-L784 HydrophobicContact CD1-CD1 4.37Å; I779-L784 HydrophobicContact CG1-CB 4.31Å; I779-Y787 HydrophobicContact CD1-CD2 4.48Å; I779-M848 HydrophobicContact CB-CE 4.15Å; I779-M848 HydrophobicContact CD1-CE 3.67Å; I779-M848 HydrophobicContact CD1-SD 4.28Å; I779-M848 HydrophobicContact CG1-CE 4.48Å; I779-M848 HydrophobicContact CG2-CE 4.16Å; I779-V850 HydrophobicContact CG2-CG1 3.92Å; I779-V850 HydrophobicContact CG2-CG2 4.31Å
780	C	73.4	Confident	65.7	Low	42 Å²	42	69.3 Å²	69.3	28%	0.284	35%	0.348	S	S	.	.			trans	-67.2	141	173.4	-178.1	0	0	0	0	111.1	S729 D782 E783 L784	S729-C780 PolarHBondContact OG-N 2.99Å; S729-C780 VanDerWaalsContact OG-N 3.09Å; C780-D782 VanDerWaalsContact C-N 3.29Å; C780-D782 PolarHBondContact O-N 2.86Å; C780-E783 HydrophobicContact CB-CB 4.45Å; C780-E783 HydrophobicContact CB-CG 4.29Å; C780-E783 PolarHBondContact O-N 2.58Å; C780-E783 VanDerWaalsContact O-N 3.14Å; C780-L784 PolarHBondContact O-N 3.38Å
781	A	72.3	Confident	66.4	Low	50 Å²	50	71.6 Å²	71.6	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-56.5	-40.2	-179.7	0	0	0	0	0	113	L784 I785	A781-L784 PolarHBondContact O-N 3.44Å; A781-I785 WeakPolarHBondContact O-CD1 3.19Å; A781-I785 VanDerWaalsContact O-CG1 3.23Å; A781-I785 WeakPolarHBondContact O-CG1 3.45Å; A781-I785 PolarHBondContact O-N 3.44Å
782	D	70.2	Confident	67.1	Low	109 Å²	109	67 Å²	67	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-39.6	178.8	-66.6	-45.7	0	0	0	112.1	C780 Y786	C780-D782 VanDerWaalsContact C-N 3.29Å; C780-D782 PolarHBondContact O-N 2.86Å; D782-Y786 WeakPolarHBondContact O-CB 3.26Å; D782-Y786 PolarHBondContact O-N 2.98Å
783	E	75.7	Confident	67.7	Low	21 Å²	21	60.3 Å²	60.3	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-41.3	175.8	-66.7	-164.9	119.7	0	0	111	P727 K728 S729 I779 C780 I785 Y786 Y787	P727-E783 HydrophobicContact CB-CB 4.47Å; K728-E783 PolarHBondContact N-OE1 2.81Å; K728-E783 PolarHBondContact N-OE2 2.68Å; S729-E783 WeakPolarHBondContact CB-OE2 3.47Å; S729-E783 PolarHBondContact N-OE2 2.8Å; S729-E783 PolarHBondContact OG-OE2 3.06Å; I779-E783 HydrophobicContact CD1-CB 4.31Å; I779-E783 HydrophobicContact CG1-CB 4.17Å; C780-E783 HydrophobicContact CB-CB 4.45Å; C780-E783 HydrophobicContact CB-CG 4.29Å; C780-E783 PolarHBondContact O-N 2.58Å; C780-E783 VanDerWaalsContact O-N 3.14Å; E783-I785 PolarHBondContact O-N 2.97Å; E783-Y786 WeakPolarHBondContact O-CB 3.29Å; E783-Y786 PolarHBondContact O-N 2.99Å; E783-Y787 WeakPolarHBondContact O-CD2 3.13Å; E783-Y787 PolarHBondContact O-N 2.87Å
784	L	77.5	Confident	68	Low	5 Å²	5	64.7 Å²	64.7	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-48.5	175.4	-176.7	60.6	0	0	0	111.2	I779 C780 A781 Y786 Y787 L788 L800 F814 V850	I779-L784 HydrophobicContact CD1-CB 4.22Å; I779-L784 HydrophobicContact CD1-CD1 4.37Å; I779-L784 HydrophobicContact CG1-CB 4.31Å; C780-L784 PolarHBondContact O-N 3.38Å; A781-L784 PolarHBondContact O-N 3.44Å; L784-Y786 VanDerWaalsContact C-N 3.31Å; L784-Y786 PolarHBondContact O-N 2.75Å; L784-Y787 PolarHBondContact O-N 2.95Å; L784-Y787 VanDerWaalsContact O-N 3.16Å; L784-L788 HydrophobicContact CD1-CD1 4.45Å; L784-L788 HydrophobicContact CG-CD1 4.1Å; L784-L788 VanDerWaalsContact O-CG 3.31Å; L784-L788 WeakPolarHBondContact O-CG 3.09Å; L784-L788 PolarHBondContact O-N 2.81Å; L784-L800 HydrophobicContact CD1-CD2 4.03Å; L784-L800 HydrophobicContact CD2-CD2 3.75Å; L784-L800 HydrophobicContact CG-CD2 4.21Å; L784-F814 HydrophobicContact CD2-CD1 4.37Å; L784-F814 HydrophobicContact CD2-CE1 4.24Å; L784-V850 HydrophobicContact CD1-CG2 3.95Å; L784-V850 HydrophobicContact CD2-CG1 4.18Å
785	I	77.6	Confident	68.1	Low	69 Å²	69	67 Å²	67	35%	0.354	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-43.9	176.4	-68.2	164.8	0	0	0	110.4	A781 E783 Y787 L788 D789 F814	A781-I785 WeakPolarHBondContact O-CD1 3.19Å; A781-I785 VanDerWaalsContact O-CG1 3.23Å; A781-I785 WeakPolarHBondContact O-CG1 3.45Å; A781-I785 PolarHBondContact O-N 3.44Å; E783-I785 PolarHBondContact O-N 2.97Å; I785-Y787 VanDerWaalsContact C-N 3.27Å; I785-Y787 PolarHBondContact O-N 2.88Å; I785-L788 PolarHBondContact O-N 2.95Å; I785-L788 VanDerWaalsContact O-N 3.1Å; I785-D789 PolarHBondContact O-N 2.77Å; I785-F814 HydrophobicContact CG1-CE1 4.33Å
786	Y	75.5	Confident	68.2	Low	125 Å²	125	64.2 Å²	64.2	49%	0.49	36%	0.361	S	S	.	.	H	α-helix	trans	-55.8	-38.8	176.2	172.9	-94.2	0	0	0	113.2	D782 E783 L784 R790	D782-Y786 WeakPolarHBondContact O-CB 3.26Å; D782-Y786 PolarHBondContact O-N 2.98Å; E783-Y786 WeakPolarHBondContact O-CB 3.29Å; E783-Y786 PolarHBondContact O-N 2.99Å; L784-Y786 VanDerWaalsContact C-N 3.31Å; L784-Y786 PolarHBondContact O-N 2.75Å; Y786-R790 PolarHBondContact OH-NH2 3.07Å
787	Y	74.4	Confident	68.3	Low	9 Å²	9	63.5 Å²	63.5	4%	0.035	36%	0.362	C	S	.	.	H	α-helix	trans	-76.2	-32.2	176.4	-74.7	-71.2	0	0	0	113.5	F595 V725 P727 I779 E783 L784 I785 F798	F595-Y787 HydrophobicContact CZ-CE1 4.34Å; V725-Y787 PolarHBondContact O-OH 3.28Å; P727-Y787 HydrophobicContact CB-CE2 3.93Å; P727-Y787 HydrophobicContact CG-CD2 4.36Å; P727-Y787 HydrophobicContact CG-CE2 3.58Å; I779-Y787 HydrophobicContact CD1-CD2 4.48Å; E783-Y787 WeakPolarHBondContact O-CD2 3.13Å; E783-Y787 PolarHBondContact O-N 2.87Å; L784-Y787 PolarHBondContact O-N 2.95Å; L784-Y787 VanDerWaalsContact O-N 3.16Å; I785-Y787 VanDerWaalsContact C-N 3.27Å; I785-Y787 PolarHBondContact O-N 2.88Å; Y787-F798 HydrophobicContact CD1-CZ 4.16Å; Y787-F798 HydrophobicContact CG-CE1 4.45Å; Y787-F798 HydrophobicContact CG-CZ 4.11Å
788	L	75.8	Confident	68.6	Low	29 Å²	29	64 Å²	64	15%	0.152	36%	0.363	C	S	.	.	H	α-helix	trans	-72.6	-30.4	178.6	-66.1	172.5	0	0	0	112.8	L784 I785 R790 F798 L800	L784-L788 HydrophobicContact CD1-CD1 4.45Å; L784-L788 HydrophobicContact CG-CD1 4.1Å; L784-L788 VanDerWaalsContact O-CG 3.31Å; L784-L788 WeakPolarHBondContact O-CG 3.09Å; L784-L788 PolarHBondContact O-N 2.81Å; I785-L788 PolarHBondContact O-N 2.95Å; I785-L788 VanDerWaalsContact O-N 3.1Å; L788-R790 VanDerWaalsContact C-N 3.29Å; L788-R790 PolarHBondContact O-N 3.48Å; L788-F798 HydrophobicContact CD2-CB 4.17Å; L788-F798 HydrophobicContact CD2-CG 4.42Å; L788-L800 HydrophobicContact CD1-CD1 3.83Å; L788-L800 HydrophobicContact CD1-CD2 4.3Å; L788-L800 HydrophobicContact CD2-CD1 3.68Å; L788-L800 HydrophobicContact CG-CD1 4.41Å
789	D	74.8	Confident	69	Low	125 Å²	125	60.3 Å²	60.3	67%	0.668	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.3	179.8	-75.6	-15.1	0	0	0	113.7	I785	I785-D789 PolarHBondContact O-N 2.77Å
790	R	71.5	Confident	69.6	Low	73 Å²	73	58.9 Å²	58.9	28%	0.275	34%	0.338	S	S	.	.			trans	-70.3	129.9	-178.1	-99.5	-170.1	175.8	-174.6	2.8	111.6	Y786 L788 D792 A793	Y786-R790 PolarHBondContact OH-NH2 3.07Å; L788-R790 VanDerWaalsContact C-N 3.29Å; L788-R790 PolarHBondContact O-N 3.48Å; R790-D792 WeakPolarHBondContact CB-OD1 3.31Å; R790-D792 PolarHBondContact O-N 3.21Å; R790-A793 HydrophobicContact CB-CB 4.13Å; R790-A793 WeakPolarHBondContact O-CB 3.5Å; R790-A793 PolarHBondContact O-N 3.13Å
791	P	58.6	Low	70.3	Confident	134 Å²	134	56.9 Å²	56.9	87%	0.87	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.2	-178	27.2	-34.2	0	0	0	113.4
792	D	58.2	Low	71.1	Confident	104 Å²	104	54.5 Å²	54.5	56%	0.556	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.5	174	59.6	-48.5	0	0	0	113.3	R790 N794	R790-D792 WeakPolarHBondContact CB-OD1 3.31Å; R790-D792 PolarHBondContact O-N 3.21Å; D792-N794 PolarHBondContact O-N 2.96Å
793	A	52.2	Low	72	Confident	29 Å²	29	49.5 Å²	49.5	24%	0.24	28%	0.278	C	S	.	.			trans	-69	87.7	168.3	0	0	0	0	0	107.6	R790 S795 F798	R790-A793 HydrophobicContact CB-CB 4.13Å; R790-A793 WeakPolarHBondContact O-CB 3.5Å; R790-A793 PolarHBondContact O-N 3.13Å; A793-S795 PolarHBondContact O-N 3.22Å; A793-F798 HydrophobicContact CB-CE2 4.41Å
794	N	53.6	Low	72.7	Confident	130 Å²	130	50.9 Å²	50.9	70%	0.695	28%	0.283	S	S	*	.			trans	-46.2	121.2	159.9	-78.4	-20.9	0	0	0	105.8	D792 G796 A797	D792-N794 PolarHBondContact O-N 2.96Å; N794-G796 PolarHBondContact O-N 3.4Å; N794-A797 VanDerWaalsContact O-CB 3.29Å; N794-A797 WeakPolarHBondContact O-CB 3.11Å; N794-A797 PolarHBondContact O-N 2.98Å
795	S	50.1	Low	73.2	Confident	90 Å²	90	52.5 Å²	52.5	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-8.3	-176.9	54.3	0	0	0	0	114	A793	A793-S795 PolarHBondContact O-N 3.22Å
796	G	58.2	Low	73.8	Confident	40 Å²	40	55.3 Å²	55.3	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.6	169.6	0	0	0	0	0	115.7	N794 Y846	N794-G796 PolarHBondContact O-N 3.4Å; G796-Y846 WeakPolarHBondContact O-CD1 3.28Å
797	A	67.5	Low	74.4	Confident	22 Å²	22	55.4 Å²	55.4	18%	0.182	31%	0.311	C	S	.	.	S	Bend	trans	-83.6	-27.6	-178.8	0	0	0	0	0	113.1	N794 Y846 R847 M848	N794-A797 VanDerWaalsContact O-CB 3.29Å; N794-A797 WeakPolarHBondContact O-CB 3.11Å; N794-A797 PolarHBondContact O-N 2.98Å; A797-Y846 CarbonylContact O-C 3.52Å; A797-R847 HydrophobicContact CB-CB 4.3Å; A797-R847 WeakPolarHBondContact O-CA 3.43Å; A797-R847 VanDerWaalsContact O-CB 3.29Å; A797-R847 WeakPolarHBondContact O-CB 3.43Å; A797-R847 PolarHBondContact O-N 3.37Å; A797-M848 PolarHBondContact O-N 3.34Å; A797-M848 VanDerWaalsContact O-N 3.16Å
798	F	75.9	Confident	75	Confident	21 Å²	21	58.1 Å²	58.1	9%	0.092	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.2	-177.1	-65	-91.3	0	0	0	110.4	Y787 L788 A793 M848	Y787-F798 HydrophobicContact CD1-CZ 4.16Å; Y787-F798 HydrophobicContact CG-CE1 4.45Å; Y787-F798 HydrophobicContact CG-CZ 4.11Å; L788-F798 HydrophobicContact CD2-CB 4.17Å; L788-F798 HydrophobicContact CD2-CG 4.42Å; A793-F798 HydrophobicContact CB-CE2 4.41Å; F798-M848 WeakPolarHBondContact CA-O 3.5Å; F798-M848 HydrophobicContact CD1-CB 3.67Å; F798-M848 HydrophobicContact CD1-CG 4.31Å; F798-M848 HydrophobicContact CD1-SD 4Å; F798-M848 HydrophobicContact CE1-CB 3.78Å; F798-M848 HydrophobicContact CE1-CG 4.39Å; F798-M848 HydrophobicContact CE1-SD 3.75Å
799	L	81.3	Confident	75.7	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.4	167.8	178.2	63.3	0	0	0	109.4	I801 R818 L841 L842 Y846 M848 I849 V850	L799-I801 HydrophobicContact CD2-CD1 3.94Å; L799-I801 HydrophobicContact CD2-CG1 4Å; L799-I801 HydrophobicContact CG-CD1 4.38Å; L799-I801 HydrophobicContact CG-CG1 3.93Å; L799-R818 HydrophobicContact CD1-CG 4.33Å; L799-L841 HydrophobicContact CD1-CD1 4.45Å; L799-L841 HydrophobicContact CD1-CD2 3.96Å; L799-L841 HydrophobicContact CD2-CB 3.96Å; L799-L842 HydrophobicContact CD2-CD2 4.45Å; L799-Y846 HydrophobicContact CB-CD1 3.7Å; L799-Y846 HydrophobicContact CB-CD2 3.68Å; L799-Y846 HydrophobicContact CB-CE1 3.84Å; L799-Y846 HydrophobicContact CB-CE2 3.77Å; L799-Y846 HydrophobicContact CB-CG 3.64Å; L799-Y846 HydrophobicContact CD1-CE1 4.46Å; L799-Y846 HydrophobicContact CD1-CE2 4.29Å; L799-Y846 HydrophobicContact CD2-CD2 4.05Å; L799-Y846 HydrophobicContact CD2-CE2 3.73Å; L799-Y846 HydrophobicContact CG-CD2 4.41Å; L799-Y846 HydrophobicContact CG-CE2 4.12Å; L799-M848 PolarHBondContact N-O 3.22Å; L799-I849 HydrophobicContact CB-CB 4.39Å; L799-I849 HydrophobicContact CB-CG1 4.03Å; L799-I849 HydrophobicContact CB-CG2 4.22Å; L799-I849 HydrophobicContact CD2-CD1 4Å; L799-I849 HydrophobicContact CD2-CG1 4.37Å; L799-I849 HydrophobicContact CD2-CG2 4.04Å; L799-I849 HydrophobicContact CG-CG2 4.26Å; L799-I849 CarbonylContact O-C 3.58Å; L799-I849 VanDerWaalsContact O-CA 3.31Å; L799-I849 WeakPolarHBondContact O-CA 3.27Å; L799-V850 PolarHBondContact O-N 3.03Å
800	L	86.9	Confident	76.4	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.1	176.6	-68.9	146.8	0	0	0	108.6	L784 L788 P815 S817 R818 V850 I852	L784-L800 HydrophobicContact CD1-CD2 4.03Å; L784-L800 HydrophobicContact CD2-CD2 3.75Å; L784-L800 HydrophobicContact CG-CD2 4.21Å; L788-L800 HydrophobicContact CD1-CD1 3.83Å; L788-L800 HydrophobicContact CD1-CD2 4.3Å; L788-L800 HydrophobicContact CD2-CD1 3.68Å; L788-L800 HydrophobicContact CG-CD1 4.41Å; L800-P815 VanDerWaalsContact CD1-O 3.27Å; L800-P815 WeakPolarHBondContact CD1-O 3.5Å; L800-S817 CarbonylContact O-C 3.24Å; L800-S817 WeakPolarHBondContact O-CA 3.4Å; L800-R818 PolarHBondContact O-N 2.83Å; L800-V850 WeakPolarHBondContact CA-O 3.33Å; L800-V850 HydrophobicContact CD2-CB 4.24Å; L800-I852 HydrophobicContact CB-CD1 4.22Å; L800-I852 HydrophobicContact CD2-CD1 3.66Å
801	I	87.6	Confident	77.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.6	178.4	-56.6	170.8	0	0	0	108.1	L799 V803 R818 V820 L838 I849 V850 V851 I852	L799-I801 HydrophobicContact CD2-CD1 3.94Å; L799-I801 HydrophobicContact CD2-CG1 4Å; L799-I801 HydrophobicContact CG-CD1 4.38Å; L799-I801 HydrophobicContact CG-CG1 3.93Å; I801-V803 HydrophobicContact CG2-CG1 4.13Å; I801-R818 WeakPolarHBondContact CA-O 3.31Å; I801-V820 HydrophobicContact CG2-CB 3.93Å; I801-V820 HydrophobicContact CG2-CG2 4.01Å; I801-L838 HydrophobicContact CD1-CD1 3.68Å; I801-I849 HydrophobicContact CD1-CG2 3.8Å; I801-I849 HydrophobicContact CG1-CG2 4.4Å; I801-V850 PolarHBondContact N-O 3Å; I801-V851 CarbonylContact O-C 3.54Å; I801-V851 WeakPolarHBondContact O-CA 3.3Å; I801-I852 PolarHBondContact O-N 3.3Å
802	D	89.3	Confident	78.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.7	177.8	-164.6	-33.4	0	0	0	110.2	R804 Y809 R818 N819 V820 I852	D802-R804 WeakPolarHBondContact OD1-CB 3.14Å; D802-R804 VanDerWaalsContact OD1-CG 3.23Å; D802-R804 WeakPolarHBondContact OD1-CG 3.21Å; D802-R804 IonicContact OD1-CZ 3.84Å; D802-R804 PolarHBondContact OD1-N 3.33Å; D802-R804 VanDerWaalsContact OD1-N 3.1Å; D802-R804 IonicContact OD1-NE 2.95Å; D802-R804 PolarHBondContact OD1-NE 3.29Å; D802-R804 IonicContact OD1-NH2 3.88Å; D802-R804 IonicContact OD2-CZ 3.34Å; D802-R804 IonicContact OD2-NE 3.18Å; D802-R804 PolarHBondContact OD2-NE 3.45Å; D802-R804 IonicContact OD2-NH2 2.68Å; D802-R804 PolarHBondContact OD2-NH2 3.29Å; D802-Y809 HydrophobicContact CB-CD2 3.75Å; D802-Y809 HydrophobicContact CB-CE2 3.91Å; D802-Y809 WeakPolarHBondContact OD2-CD2 3.31Å; D802-R818 PolarHBondContact N-O 3.01Å; D802-N819 CarbonylContact O-C 3.6Å; D802-N819 WeakPolarHBondContact O-CA 3.43Å; D802-N819 PolarHBondContact O-ND2 3.44Å; D802-V820 PolarHBondContact O-N 2.97Å; D802-I852 WeakPolarHBondContact CA-O 3.35Å; D802-I852 HydrophobicContact CB-CB 4.47Å
803	V	89.3	Confident	79.8	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.018	34%	0.338	C	S	.	.			trans	-91.9	3.6	-175.2	-55.5	0	0	0	0	114	I801 V820 Y822 V851 I852 R859 A860 T863	I801-V803 HydrophobicContact CG2-CG1 4.13Å; V803-V820 WeakPolarHBondContact CA-O 3.39Å; V803-Y822 PolarHBondContact O-N 3.49Å; V803-V851 HydrophobicContact CG1-CG1 3.67Å; V803-V851 HydrophobicContact CG2-CG1 4.44Å; V803-I852 VanDerWaalsContact CG2-O 3.32Å; V803-I852 WeakPolarHBondContact CG2-O 3.2Å; V803-I852 PolarHBondContact N-O 3.03Å; V803-R859 HydrophobicContact CG2-CB 4.33Å; V803-A860 HydrophobicContact CG2-CB 4.15Å; V803-T863 HydrophobicContact CG1-CG2 3.78Å
804	R	90.7	Very high	81.1	Confident	51 Å²	51	64.5 Å²	64.5	19%	0.192	34%	0.337	C	S	.	.	S	Bend	trans	-66.7	164	174.6	-62.8	-178.7	-63.4	148.8	2.7	111.1	D802 E808 K812 N819	D802-R804 WeakPolarHBondContact OD1-CB 3.14Å; D802-R804 VanDerWaalsContact OD1-CG 3.23Å; D802-R804 WeakPolarHBondContact OD1-CG 3.21Å; D802-R804 IonicContact OD1-CZ 3.84Å; D802-R804 PolarHBondContact OD1-N 3.33Å; D802-R804 VanDerWaalsContact OD1-N 3.1Å; D802-R804 IonicContact OD1-NE 2.95Å; D802-R804 PolarHBondContact OD1-NE 3.29Å; D802-R804 IonicContact OD1-NH2 3.88Å; D802-R804 IonicContact OD2-CZ 3.34Å; D802-R804 IonicContact OD2-NE 3.18Å; D802-R804 PolarHBondContact OD2-NE 3.45Å; D802-R804 IonicContact OD2-NH2 2.68Å; D802-R804 PolarHBondContact OD2-NH2 3.29Å; R804-E808 HydrophobicContact CB-CB 3.91Å; R804-E808 WeakPolarHBondContact CB-OE2 3.46Å; R804-K812 PolarHBondContact NH2-O 3.3Å; R804-N819 PolarHBondContact O-ND2 3.2Å
805	S	88.7	Confident	82.1	Confident	39 Å²	39	62.3 Å²	62.3	27%	0.273	33%	0.33	S	S	.	.			trans	-63.6	157.1	178.3	84.5	0	0	0	0	111.1	E807 E808 Y809	S805-E807 WeakPolarHBondContact CB-OE2 3.42Å; S805-E807 PolarHBondContact O-N 3.27Å; S805-E807 PolarHBondContact OG-OE2 2.96Å; S805-E808 PolarHBondContact O-N 3.07Å; S805-E808 PolarHBondContact OG-N 2.76Å; S805-Y809 WeakPolarHBondContact O-CB 3.43Å; S805-Y809 PolarHBondContact O-N 3.41Å
806	E	89	Confident	83.4	Confident	127 Å²	127	64 Å²	64	59%	0.593	33%	0.328	S	S	*	.	H	α-helix	trans	-56.9	-34.1	178.6	-68.2	-176.9	-175	0	0	111.4	A810 P821	E806-A810 WeakPolarHBondContact O-CB 3.41Å; E806-A810 PolarHBondContact O-N 3.47Å; E806-P821 HydrophobicContact CG-CG 3.82Å
807	E	88.9	Confident	84.8	Confident	127 Å²	127	62.4 Å²	62.4	59%	0.593	31%	0.31	S	S	*	.	H	α-helix	trans	-69	-39.1	176.8	-52.7	83	-179.4	0	0	112.6	S805 R811	S805-E807 WeakPolarHBondContact CB-OE2 3.42Å; S805-E807 PolarHBondContact O-N 3.27Å; S805-E807 PolarHBondContact OG-OE2 2.96Å; E807-R811 WeakPolarHBondContact O-CG 3.34Å; E807-R811 PolarHBondContact O-N 3.37Å
808	E	87.8	Confident	85.8	Confident	67 Å²	67	68.4 Å²	68.4	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-71.3	-39.8	176.9	-72.2	-174.9	138.9	0	0	111.9	R804 S805 R811	R804-E808 HydrophobicContact CB-CB 3.91Å; R804-E808 WeakPolarHBondContact CB-OE2 3.46Å; S805-E808 PolarHBondContact O-N 3.07Å; S805-E808 PolarHBondContact OG-N 2.76Å; E808-R811 PolarHBondContact O-N 2.97Å
809	Y	89.4	Confident	86.5	Confident	54 Å²	54	69 Å²	69	21%	0.212	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-51.6	173.5	-177.2	-97.9	0	0	0	110.1	D802 S805 R811 K812 T813 S817 N819	D802-Y809 HydrophobicContact CB-CD2 3.75Å; D802-Y809 HydrophobicContact CB-CE2 3.91Å; D802-Y809 WeakPolarHBondContact OD2-CD2 3.31Å; S805-Y809 WeakPolarHBondContact O-CB 3.43Å; S805-Y809 PolarHBondContact O-N 3.41Å; Y809-R811 PolarHBondContact O-N 3.09Å; Y809-K812 CarbonylContact O-C 3.41Å; Y809-K812 VanDerWaalsContact O-C 3.24Å; Y809-K812 PolarHBondContact O-N 2.92Å; Y809-K812 VanDerWaalsContact O-N 3.12Å; Y809-T813 HydrophobicContact CD1-CG2 3.63Å; Y809-T813 HydrophobicContact CD2-CG2 3.48Å; Y809-T813 VanDerWaalsContact CD2-CG2 3.48Å; Y809-T813 HydrophobicContact CE1-CG2 3.53Å; Y809-T813 HydrophobicContact CE2-CG2 3.4Å; Y809-T813 HydrophobicContact CG-CG2 3.59Å; Y809-T813 VanDerWaalsContact CZ-CG2 3.41Å; Y809-T813 WeakPolarHBondContact O-CG2 3.44Å; Y809-S817 WeakPolarHBondContact CE2-OG 3.38Å; Y809-S817 PolarHBondContact OH-O 3.25Å; Y809-N819 HydrophobicContact CD1-CB 3.65Å; Y809-N819 HydrophobicContact CD2-CB 3.61Å; Y809-N819 HydrophobicContact CE1-CB 3.77Å; Y809-N819 HydrophobicContact CE2-CB 3.72Å; Y809-N819 HydrophobicContact CG-CB 3.58Å
810	A	89.5	Confident	86.8	Confident	82 Å²	82	68.8 Å²	68.8	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-58.2	-26.4	-179.9	0	0	0	0	0	114.2	E806	E806-A810 WeakPolarHBondContact O-CB 3.41Å; E806-A810 PolarHBondContact O-N 3.47Å
811	R	89.6	Confident	86.8	Confident	199 Å²	199	69 Å²	69	75%	0.751	33%	0.333	S	S	*	.	H	α-helix	trans	-67.3	-49.9	175.5	-74.4	170.4	-172.7	-179.1	3.3	112.3	E807 E808 Y809	E807-R811 WeakPolarHBondContact O-CG 3.34Å; E807-R811 PolarHBondContact O-N 3.37Å; E808-R811 PolarHBondContact O-N 2.97Å; Y809-R811 PolarHBondContact O-N 3.09Å
812	K	85.3	Confident	86.7	Confident	175 Å²	175	70.2 Å²	70.2	76%	0.761	34%	0.338	S	S	*	.			trans	-158.8	136	177.6	-73.6	-165.1	177.9	-178.2	0	109.6	R804 Y809	R804-K812 PolarHBondContact NH2-O 3.3Å; Y809-K812 CarbonylContact O-C 3.41Å; Y809-K812 VanDerWaalsContact O-C 3.24Å; Y809-K812 PolarHBondContact O-N 2.92Å; Y809-K812 VanDerWaalsContact O-N 3.12Å
813	T	85.1	Confident	86.4	Confident	67 Å²	67	74.8 Å²	74.8	41%	0.411	37%	0.366	S	S	.	.			trans	-127.7	160.7	-180	69.4	0	0	0	0	110.7	Y809	Y809-T813 HydrophobicContact CD1-CG2 3.63Å; Y809-T813 HydrophobicContact CD2-CG2 3.48Å; Y809-T813 VanDerWaalsContact CD2-CG2 3.48Å; Y809-T813 HydrophobicContact CE1-CG2 3.53Å; Y809-T813 HydrophobicContact CE2-CG2 3.4Å; Y809-T813 HydrophobicContact CG-CG2 3.59Å; Y809-T813 VanDerWaalsContact CZ-CG2 3.41Å; Y809-T813 WeakPolarHBondContact O-CG2 3.44Å
814	F	79.1	Confident	85.9	Confident	51 Å²	51	78.9 Å²	78.9	22%	0.224	39%	0.387	C	S	.	.			trans	-75	143.4	161.8	-75.9	-92.4	0	0	0	109.8	L784 I785 Q816 S817 I852	L784-F814 HydrophobicContact CD2-CD1 4.37Å; L784-F814 HydrophobicContact CD2-CE1 4.24Å; I785-F814 HydrophobicContact CG1-CE1 4.33Å; F814-Q816 PolarHBondContact O-N 3.46Å; F814-S817 PolarHBondContact N-OG 3.27Å; F814-S817 WeakPolarHBondContact O-CB 3.4Å; F814-S817 PolarHBondContact O-N 3.37Å; F814-S817 VanDerWaalsContact O-N 3.17Å; F814-S817 PolarHBondContact O-OG 2.92Å; F814-I852 HydrophobicContact CB-CD1 4.17Å; F814-I852 HydrophobicContact CD2-CD1 3.54Å; F814-I852 HydrophobicContact CD2-CG1 4.39Å; F814-I852 HydrophobicContact CD2-CG2 4.19Å; F814-I852 HydrophobicContact CE2-CD1 4.12Å; F814-I852 HydrophobicContact CE2-CG2 4Å; F814-I852 HydrophobicContact CG-CD1 3.95Å
815	P	74.8	Confident	85.2	Confident	84 Å²	84	76.5 Å²	76.5	55%	0.545	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.5	172.6	-24.3	33.7	0	0	0	110.8	L800 S817	L800-P815 VanDerWaalsContact CD1-O 3.27Å; L800-P815 WeakPolarHBondContact CD1-O 3.5Å; P815-S817 PolarHBondContact O-N 3.1Å; P815-S817 VanDerWaalsContact O-N 3.09Å
816	Q	78.1	Confident	84.7	Confident	125 Å²	125	75.1 Å²	75.1	58%	0.584	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	3.5	179.1	-49.6	177.5	6.7	0	0	116.3	F814	F814-Q816 PolarHBondContact O-N 3.46Å
817	S	88	Confident	84	Confident	6 Å²	6	75.8 Å²	75.8	4%	0.042	37%	0.368	C	S	.	.			trans	-66.3	145.2	174.6	61.8	0	0	0	0	113	L800 Y809 F814 P815	L800-S817 CarbonylContact O-C 3.24Å; L800-S817 WeakPolarHBondContact O-CA 3.4Å; Y809-S817 WeakPolarHBondContact CE2-OG 3.38Å; Y809-S817 PolarHBondContact OH-O 3.25Å; F814-S817 PolarHBondContact N-OG 3.27Å; F814-S817 WeakPolarHBondContact O-CB 3.4Å; F814-S817 PolarHBondContact O-N 3.37Å; F814-S817 VanDerWaalsContact O-N 3.17Å; F814-S817 PolarHBondContact O-OG 2.92Å; P815-S817 PolarHBondContact O-N 3.1Å; P815-S817 VanDerWaalsContact O-N 3.09Å
818	R	87.4	Confident	83.2	Confident	148 Å²	148	79.6 Å²	79.6	56%	0.558	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.9	175.8	-61.9	-62.8	-173.8	169	1.5	108.6	L799 L800 I801 D802 V820 L841	L799-R818 HydrophobicContact CD1-CG 4.33Å; L800-R818 PolarHBondContact O-N 2.83Å; I801-R818 WeakPolarHBondContact CA-O 3.31Å; D802-R818 PolarHBondContact N-O 3.01Å; R818-V820 PolarHBondContact O-N 3.49Å; R818-L841 HydrophobicContact CB-CD1 4.24Å; R818-L841 HydrophobicContact CG-CD1 4.29Å; R818-L841 HydrophobicContact CG-CD2 4.38Å
819	N	90.2	Very high	82.2	Confident	33 Å²	33	78.3 Å²	78.3	18%	0.176	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.3	176.4	-171.7	-135.5	0	0	0	110.2	D802 R804 Y809 P821	D802-N819 CarbonylContact O-C 3.6Å; D802-N819 WeakPolarHBondContact O-CA 3.43Å; D802-N819 PolarHBondContact O-ND2 3.44Å; R804-N819 PolarHBondContact O-ND2 3.2Å; Y809-N819 HydrophobicContact CD1-CB 3.65Å; Y809-N819 HydrophobicContact CD2-CB 3.61Å; Y809-N819 HydrophobicContact CE1-CB 3.77Å; Y809-N819 HydrophobicContact CE2-CB 3.72Å; Y809-N819 HydrophobicContact CG-CB 3.58Å; N819-P821 WeakPolarHBondContact OD1-CG 3.34Å
820	V	87.5	Confident	81.3	Confident	5 Å²	5	83 Å²	83	3%	0.03	41%	0.414	C	S	.	.			trans	-130.7	80.1	171.8	-174.7	0	0	0	0	106.9	I801 D802 V803 R818 Y822 V825 P835	I801-V820 HydrophobicContact CG2-CB 3.93Å; I801-V820 HydrophobicContact CG2-CG2 4.01Å; D802-V820 PolarHBondContact O-N 2.97Å; V803-V820 WeakPolarHBondContact CA-O 3.39Å; R818-V820 PolarHBondContact O-N 3.49Å; V820-Y822 PolarHBondContact O-N 3.27Å; V820-V825 HydrophobicContact CG1-CG2 3.73Å; V820-P835 HydrophobicContact CG1-CG 4.44Å
821	P	87.8	Confident	80.3	Confident	7 Å²	7	81.7 Å²	81.7	5%	0.045	40%	0.4	C	S	.	.			trans	-51.1	136.1	-175.2	-27.3	30.9	0	0	0	112.6	E806 N819 T823 I824	E806-P821 HydrophobicContact CG-CG 3.82Å; N819-P821 WeakPolarHBondContact OD1-CG 3.34Å; P821-T823 PolarHBondContact O-N 2.77Å; P821-I824 HydrophobicContact CB-CD1 4.21Å; P821-I824 HydrophobicContact CB-CG1 4.19Å; P821-I824 HydrophobicContact CG-CD1 3.99Å; P821-I824 WeakPolarHBondContact O-CB 3.43Å; P821-I824 PolarHBondContact O-N 2.93Å
822	Y	84.6	Confident	79.2	Confident	25 Å²	25	76.5 Å²	76.5	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-51.2	-37.2	-177.1	178.3	-95.5	0	0	0	113.4	V803 V820 I824 V825 F826 R859 K862	V803-Y822 PolarHBondContact O-N 3.49Å; V820-Y822 PolarHBondContact O-N 3.27Å; Y822-I824 PolarHBondContact O-N 3.13Å; Y822-V825 PolarHBondContact O-N 3.08Å; Y822-F826 HydrophobicContact CD1-CB 4.13Å; Y822-F826 HydrophobicContact CD2-CB 4.41Å; Y822-F826 AromaticContact CD2-CD2 3.42Å; Y822-F826 HydrophobicContact CD2-CD2 3.42Å; Y822-F826 VanDerWaalsContact CD2-CD2 3.42Å; Y822-F826 AromaticContact CD2-CE2 3.96Å; Y822-F826 HydrophobicContact CD2-CE2 3.96Å; Y822-F826 HydrophobicContact CD2-CG 4.13Å; Y822-F826 HydrophobicContact CE1-CB 3.6Å; Y822-F826 HydrophobicContact CE1-CD2 4.38Å; Y822-F826 HydrophobicContact CE1-CG 4.17Å; Y822-F826 HydrophobicContact CE2-CB 3.94Å; Y822-F826 HydrophobicContact CE2-CD1 4.26Å; Y822-F826 AromaticContact CE2-CD2 3.21Å; Y822-F826 HydrophobicContact CE2-CD2 3.21Å; Y822-F826 AromaticContact CE2-CE2 3.71Å; Y822-F826 HydrophobicContact CE2-CE2 3.71Å; Y822-F826 AromaticContact CE2-CG 3.55Å; Y822-F826 HydrophobicContact CE2-CG 3.55Å; Y822-F826 HydrophobicContact CE2-CZ 4.39Å; Y822-F826 HydrophobicContact CG-CD2 4.13Å; Y822-F826 AromaticContact CZ-CD2 3.74Å; Y822-F826 AromaticContact CZ-CG 3.57Å; Y822-F826 PolarHBondContact O-N 3.17Å; Y822-R859 HydrophobicContact CD1-CB 4.39Å; Y822-R859 HydrophobicContact CD1-CG 3.79Å; Y822-R859 HydrophobicContact CD2-CB 3.36Å; Y822-R859 HydrophobicContact CD2-CG 3.65Å; Y822-R859 HydrophobicContact CE1-CG 4Å; Y822-R859 HydrophobicContact CE2-CB 3.77Å; Y822-R859 HydrophobicContact CE2-CG 3.84Å; Y822-R859 HydrophobicContact CG-CB 3.7Å; Y822-R859 HydrophobicContact CG-CG 3.61Å; Y822-K862 HydrophobicContact CE2-CB 4.05Å; Y822-K862 HydrophobicContact CE2-CD 4.42Å; Y822-K862 WeakPolarHBondContact OH-CD 3.33Å
823	T	83.5	Confident	78.3	Confident	95 Å²	95	77.5 Å²	77.5	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-66.4	-16.7	-179.1	49.6	0	0	0	0	114.4	P821 F826	P821-T823 PolarHBondContact O-N 2.77Å; T823-F826 CarbonylContact C-O 3.58Å; T823-F826 WeakPolarHBondContact CA-O 3.42Å
824	I	80.1	Confident	77.5	Confident	89 Å²	89	75 Å²	75	46%	0.456	37%	0.372	S	S	.	.	H	α-helix	trans	-80.8	-39.7	175.2	-57.1	-177.5	0	0	0	110.2	P821 Y822 P835	P821-I824 HydrophobicContact CB-CD1 4.21Å; P821-I824 HydrophobicContact CB-CG1 4.19Å; P821-I824 HydrophobicContact CG-CD1 3.99Å; P821-I824 WeakPolarHBondContact O-CB 3.43Å; P821-I824 PolarHBondContact O-N 2.93Å; Y822-I824 PolarHBondContact O-N 3.13Å; I824-P835 HydrophobicContact CG2-CG 3.96Å
825	V	74.9	Confident	77	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-82.9	-39.1	-178.5	-174.5	0	0	0	0	111	V820 Y822 V832 P835 L838	V820-V825 HydrophobicContact CG1-CG2 3.73Å; Y822-V825 PolarHBondContact O-N 3.08Å; V825-V832 PolarHBondContact O-N 2.93Å; V825-P835 HydrophobicContact CG2-CG 3.91Å; V825-L838 HydrophobicContact CG2-CD2 4.37Å
826	F	77.7	Confident	76.8	Confident	11 Å²	11	74 Å²	74	5%	0.048	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.7	-174.4	-61.1	-92.5	0	0	0	111.7	Y822 T823 E830 C831 K862 T863 V866	Y822-F826 HydrophobicContact CD1-CB 4.13Å; Y822-F826 HydrophobicContact CD2-CB 4.41Å; Y822-F826 AromaticContact CD2-CD2 3.42Å; Y822-F826 HydrophobicContact CD2-CD2 3.42Å; Y822-F826 VanDerWaalsContact CD2-CD2 3.42Å; Y822-F826 AromaticContact CD2-CE2 3.96Å; Y822-F826 HydrophobicContact CD2-CE2 3.96Å; Y822-F826 HydrophobicContact CD2-CG 4.13Å; Y822-F826 HydrophobicContact CE1-CB 3.6Å; Y822-F826 HydrophobicContact CE1-CD2 4.38Å; Y822-F826 HydrophobicContact CE1-CG 4.17Å; Y822-F826 HydrophobicContact CE2-CB 3.94Å; Y822-F826 HydrophobicContact CE2-CD1 4.26Å; Y822-F826 AromaticContact CE2-CD2 3.21Å; Y822-F826 HydrophobicContact CE2-CD2 3.21Å; Y822-F826 AromaticContact CE2-CE2 3.71Å; Y822-F826 HydrophobicContact CE2-CE2 3.71Å; Y822-F826 AromaticContact CE2-CG 3.55Å; Y822-F826 HydrophobicContact CE2-CG 3.55Å; Y822-F826 HydrophobicContact CE2-CZ 4.39Å; Y822-F826 HydrophobicContact CG-CD2 4.13Å; Y822-F826 AromaticContact CZ-CD2 3.74Å; Y822-F826 AromaticContact CZ-CG 3.57Å; Y822-F826 PolarHBondContact O-N 3.17Å; T823-F826 CarbonylContact C-O 3.58Å; T823-F826 WeakPolarHBondContact CA-O 3.42Å; F826-E830 VanDerWaalsContact CA-O 3.29Å; F826-E830 WeakPolarHBondContact CA-O 3.15Å; F826-C831 HydrophobicContact CD1-CB 4.2Å; F826-C831 HydrophobicContact CE1-CB 4.01Å; F826-K862 HydrophobicContact CE1-CB 4.41Å; F826-K862 HydrophobicContact CZ-CB 4.2Å; F826-K862 WeakPolarHBondContact CZ-O 3.19Å; F826-T863 HydrophobicContact CE2-CG2 4.34Å; F826-T863 WeakPolarHBondContact CE2-OG1 3.5Å; F826-V866 HydrophobicContact CE1-CB 4.46Å; F826-V866 HydrophobicContact CE1-CG2 3.69Å; F826-V866 HydrophobicContact CZ-CB 3.86Å; F826-V866 HydrophobicContact CZ-CG1 4.23Å; F826-V866 HydrophobicContact CZ-CG2 3.54Å
827	K	75.5	Confident	76.6	Confident	140 Å²	140	72.4 Å²	72.4	61%	0.609	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.7	164.6	-59.5	-176.7	172	-178.1	0	108.7	G829 E830 V832	K827-G829 PolarHBondContact O-N 2.99Å; K827-E830 PolarHBondContact N-O 2.94Å; K827-E830 PolarHBondContact O-N 3.48Å; K827-V832 HydrophobicContact CB-CG2 3.51Å; K827-V832 HydrophobicContact CD-CG2 4.11Å; K827-V832 HydrophobicContact CG-CG2 3.74Å
828	E	71.8	Confident	76	Confident	207 Å²	207	72.1 Å²	72.1	97%	0.967	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	23.8	-178.2	-59.7	-177	174.6	0	0	114.1	E830	E828-E830 VanDerWaalsContact C-N 3.33Å
829	G	67.4	Low	75.4	Confident	40 Å²	40	69.7 Å²	69.7	41%	0.412	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-9.6	-179.4	0	0	0	0	0	114.9	K827	K827-G829 PolarHBondContact O-N 2.99Å
830	E	69.9	Low	74.7	Confident	153 Å²	153	73.8 Å²	73.8	72%	0.715	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.3	176.4	-64.1	-163.9	160.4	0	0	111.7	F826 K827 E828 V832	F826-E830 VanDerWaalsContact CA-O 3.29Å; F826-E830 WeakPolarHBondContact CA-O 3.15Å; K827-E830 PolarHBondContact N-O 2.94Å; K827-E830 PolarHBondContact O-N 3.48Å; E828-E830 VanDerWaalsContact C-N 3.33Å; E830-V832 PolarHBondContact O-N 3.17Å; E830-V832 VanDerWaalsContact O-N 3.13Å
831	C	68.3	Low	74.1	Confident	55 Å²	55	74.3 Å²	74.3	37%	0.372	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	104.4	174.4	176.3	0	0	0	0	108.8	F826 V866	F826-C831 HydrophobicContact CD1-CB 4.2Å; F826-C831 HydrophobicContact CE1-CB 4.01Å; C831-V866 HydrophobicContact CB-CG1 4.27Å; C831-V866 HydrophobicContact CB-CG2 4.38Å
832	V	67.2	Low	73.5	Confident	90 Å²	90	74.6 Å²	74.6	55%	0.545	38%	0.381	S	S	.	.			trans	-80	-43.7	-172.9	-177.4	0	0	0	0	111.7	V825 K827 E830	V825-V832 PolarHBondContact O-N 2.93Å; K827-V832 HydrophobicContact CB-CG2 3.51Å; K827-V832 HydrophobicContact CD-CG2 4.11Å; K827-V832 HydrophobicContact CG-CG2 3.74Å; E830-V832 PolarHBondContact O-N 3.17Å; E830-V832 VanDerWaalsContact O-N 3.13Å
833	R	65.5	Low	72.8	Confident	195 Å²	195	77.1 Å²	77.1	74%	0.736	40%	0.402	S	S	*	.			trans	-163.7	130.5	-179.8	-164.5	173.8	-177	178.7	1.1	109.5	P835	R833-P835 WeakPolarHBondContact O-CD 3.3Å
834	F	67.6	Low	72.1	Confident	15 Å²	15	77 Å²	77	7%	0.066	39%	0.394	C	S	.	.			trans	-64	122	169	-111.2	-96.1	0	0	0	109.3	L838 E839 L842 V866 Q870	F834-L838 HydrophobicContact CD1-CB 4.1Å; F834-L838 HydrophobicContact CD1-CD2 3.65Å; F834-L838 HydrophobicContact CD1-CG 3.86Å; F834-L838 HydrophobicContact CE1-CB 4.4Å; F834-L838 HydrophobicContact CE1-CD2 3.31Å; F834-L838 HydrophobicContact CE1-CG 3.65Å; F834-L838 HydrophobicContact CZ-CD2 4.18Å; F834-E839 HydrophobicContact CB-CG 3.95Å; F834-E839 HydrophobicContact CD1-CG 4.13Å; F834-E839 HydrophobicContact CG-CG 4.4Å; F834-L842 HydrophobicContact CE1-CD1 3.69Å; F834-L842 HydrophobicContact CZ-CD1 4.37Å; F834-V866 HydrophobicContact CD2-CG1 4.12Å; F834-V866 HydrophobicContact CE2-CB 4.46Å; F834-V866 HydrophobicContact CE2-CG1 3.14Å; F834-V866 HydrophobicContact CZ-CG1 3.57Å; F834-V866 WeakPolarHBondContact CZ-O 3.44Å; F834-Q870 HydrophobicContact CD1-CG 4.02Å; F834-Q870 HydrophobicContact CD2-CB 4.42Å; F834-Q870 HydrophobicContact CD2-CG 4.04Å; F834-Q870 HydrophobicContact CE1-CB 3.93Å; F834-Q870 HydrophobicContact CE1-CG 3.75Å; F834-Q870 HydrophobicContact CE2-CB 3.6Å; F834-Q870 HydrophobicContact CE2-CG 3.71Å; F834-Q870 VanDerWaalsContact CG-CD 3.49Å; F834-Q870 HydrophobicContact CG-CG 4.16Å; F834-Q870 VanDerWaalsContact CG-NE2 3.3Å; F834-Q870 HydrophobicContact CZ-CB 3.34Å; F834-Q870 HydrophobicContact CZ-CG 3.6Å
835	P	69.1	Low	71.4	Confident	19 Å²	19	77.4 Å²	77.4	12%	0.123	40%	0.398	C	S	.	.			trans	-59.9	137.4	175.5	-21	31.8	0	0	0	109.4	V820 I824 V825 R833 L837 L838 E839	V820-P835 HydrophobicContact CG1-CG 4.44Å; I824-P835 HydrophobicContact CG2-CG 3.96Å; V825-P835 HydrophobicContact CG2-CG 3.91Å; R833-P835 WeakPolarHBondContact O-CD 3.3Å; P835-L837 PolarHBondContact O-N 3.43Å; P835-L837 VanDerWaalsContact O-N 3.1Å; P835-L838 HydrophobicContact CB-CB 4.28Å; P835-L838 HydrophobicContact CG-CB 4.35Å; P835-L838 WeakPolarHBondContact O-CA 3.18Å; P835-L838 PolarHBondContact O-N 2.76Å; P835-E839 PolarHBondContact O-N 3.19Å; P835-E839 VanDerWaalsContact O-N 3.09Å
836	P	71.5	Confident	71.2	Confident	95 Å²	95	78.7 Å²	78.7	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-53.3	-34.8	175.7	-26.2	33.6	0	0	0	112.5	L838 E839 E840	P836-L838 VanDerWaalsContact C-N 3.34Å; P836-L838 PolarHBondContact O-N 3.17Å; P836-E839 PolarHBondContact O-N 3.5Å; P836-E840 WeakPolarHBondContact O-CB 3.4Å; P836-E840 PolarHBondContact O-N 3.02Å
837	L	73.7	Confident	70.6	Confident	91 Å²	91	82.6 Å²	82.6	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-42.7	173.4	179	65.2	0	0	0	112.2	P835 L841	P835-L837 PolarHBondContact O-N 3.43Å; P835-L837 VanDerWaalsContact O-N 3.1Å; L837-L841 HydrophobicContact CD1-CD1 4.34Å; L837-L841 HydrophobicContact CD1-CG 4.41Å; L837-L841 HydrophobicContact CG-CD1 4.09Å; L837-L841 WeakPolarHBondContact O-CB 3.48Å; L837-L841 WeakPolarHBondContact O-CG 3Å; L837-L841 PolarHBondContact O-N 2.89Å
838	L	74.1	Confident	70.5	Confident	1 Å²	1	76 Å²	76	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-73.9	-36	-179.5	-173.2	60.9	0	0	0	111.2	I801 V825 F834 P835 P836 L841 L842	I801-L838 HydrophobicContact CD1-CD1 3.68Å; V825-L838 HydrophobicContact CG2-CD2 4.37Å; F834-L838 HydrophobicContact CD1-CB 4.1Å; F834-L838 HydrophobicContact CD1-CD2 3.65Å; F834-L838 HydrophobicContact CD1-CG 3.86Å; F834-L838 HydrophobicContact CE1-CB 4.4Å; F834-L838 HydrophobicContact CE1-CD2 3.31Å; F834-L838 HydrophobicContact CE1-CG 3.65Å; F834-L838 HydrophobicContact CZ-CD2 4.18Å; P835-L838 HydrophobicContact CB-CB 4.28Å; P835-L838 HydrophobicContact CG-CB 4.35Å; P835-L838 WeakPolarHBondContact O-CA 3.18Å; P835-L838 PolarHBondContact O-N 2.76Å; P836-L838 VanDerWaalsContact C-N 3.34Å; P836-L838 PolarHBondContact O-N 3.17Å; L838-L841 PolarHBondContact O-N 3.3Å; L838-L842 HydrophobicContact CD1-CD1 4.3Å; L838-L842 HydrophobicContact CD1-CG 4.16Å; L838-L842 HydrophobicContact CG-CD1 4.07Å; L838-L842 HydrophobicContact CG-CG 4.33Å; L838-L842 WeakPolarHBondContact O-CB 3.43Å; L838-L842 WeakPolarHBondContact O-CG 3.24Å; L838-L842 PolarHBondContact O-N 3.09Å
839	E	74.7	Confident	70.9	Confident	97 Å²	97	66.1 Å²	66.1	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-44.6	171.6	-67.7	-176	161.7	0	0	111.7	F834 P835 P836 L842 S843 Q870	F834-E839 HydrophobicContact CB-CG 3.95Å; F834-E839 HydrophobicContact CD1-CG 4.13Å; F834-E839 HydrophobicContact CG-CG 4.4Å; P835-E839 PolarHBondContact O-N 3.19Å; P835-E839 VanDerWaalsContact O-N 3.09Å; P836-E839 PolarHBondContact O-N 3.5Å; E839-L842 PolarHBondContact O-N 2.81Å; E839-S843 WeakPolarHBondContact O-CB 3.43Å; E839-S843 PolarHBondContact O-N 2.99Å; E839-Q870 PolarHBondContact OE1-NE2 3.48Å
840	E	75.8	Confident	71.7	Confident	119 Å²	119	64.6 Å²	64.6	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-61.3	-47.3	175.3	-176.3	-176.8	177.4	0	0	110.9	P836 S843 H844	P836-E840 WeakPolarHBondContact O-CB 3.4Å; P836-E840 PolarHBondContact O-N 3.02Å; E840-S843 PolarHBondContact O-N 3.48Å; E840-S843 PolarHBondContact O-OG 3.15Å; E840-H844 PolarHBondContact O-CE1 3.35Å; E840-H844 PolarHBondContact O-ND1 3.28Å
841	L	76.4	Confident	72.5	Confident	16 Å²	16	58.3 Å²	58.3	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-53.7	175.4	-72.2	170.7	0	0	0	110.2	L799 R818 L837 L838 S843 H844 Y846	L799-L841 HydrophobicContact CD1-CD1 4.45Å; L799-L841 HydrophobicContact CD1-CD2 3.96Å; L799-L841 HydrophobicContact CD2-CB 3.96Å; R818-L841 HydrophobicContact CB-CD1 4.24Å; R818-L841 HydrophobicContact CG-CD1 4.29Å; R818-L841 HydrophobicContact CG-CD2 4.38Å; L837-L841 HydrophobicContact CD1-CD1 4.34Å; L837-L841 HydrophobicContact CD1-CG 4.41Å; L837-L841 HydrophobicContact CG-CD1 4.09Å; L837-L841 WeakPolarHBondContact O-CB 3.48Å; L837-L841 WeakPolarHBondContact O-CG 3Å; L837-L841 PolarHBondContact O-N 2.89Å; L838-L841 PolarHBondContact O-N 3.3Å; L841-S843 PolarHBondContact O-N 3.4Å; L841-S843 VanDerWaalsContact O-N 3.11Å; L841-H844 PolarHBondContact O-N 3.42Å; L841-H844 VanDerWaalsContact O-N 3.1Å; L841-Y846 VanDerWaalsContact O-CE2 3.24Å; L841-Y846 WeakPolarHBondContact O-CE2 3.19Å
842	L	73.9	Confident	73.4	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-15.6	-178	-66.5	178.5	0	0	0	114.4	L799 F834 L838 E839 H844 I849 A867 L890	L799-L842 HydrophobicContact CD2-CD2 4.45Å; F834-L842 HydrophobicContact CE1-CD1 3.69Å; F834-L842 HydrophobicContact CZ-CD1 4.37Å; L838-L842 HydrophobicContact CD1-CD1 4.3Å; L838-L842 HydrophobicContact CD1-CG 4.16Å; L838-L842 HydrophobicContact CG-CD1 4.07Å; L838-L842 HydrophobicContact CG-CG 4.33Å; L838-L842 WeakPolarHBondContact O-CB 3.43Å; L838-L842 WeakPolarHBondContact O-CG 3.24Å; L838-L842 PolarHBondContact O-N 3.09Å; E839-L842 PolarHBondContact O-N 2.81Å; L842-H844 VanDerWaalsContact C-N 3.27Å; L842-H844 PolarHBondContact O-N 2.99Å; L842-I849 HydrophobicContact CD2-CD1 3.5Å; L842-I849 VanDerWaalsContact CD2-CD1 3.5Å; L842-A867 HydrophobicContact CD1-CB 4.1Å; L842-L890 HydrophobicContact CD2-CD1 4.48Å
843	S	70.4	Confident	74.2	Confident	77 Å²	77	53.5 Å²	53.5	54%	0.538	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.7	174.3	76	0	0	0	0	114.2	E839 E840 L841	E839-S843 WeakPolarHBondContact O-CB 3.43Å; E839-S843 PolarHBondContact O-N 2.99Å; E840-S843 PolarHBondContact O-N 3.48Å; E840-S843 PolarHBondContact O-OG 3.15Å; L841-S843 PolarHBondContact O-N 3.4Å; L841-S843 VanDerWaalsContact O-N 3.11Å
844	H	68.2	Low	74.9	Confident	92 Å²	92	45.7 Å²	45.7	43%	0.426	25%	0.246	S	C	.	.	S	Bend	trans	-86.5	147.6	178.4	-66.9	74.6	0	0	0	112	E840 L841 L842 Y846 R871	E840-H844 PolarHBondContact O-CE1 3.35Å; E840-H844 PolarHBondContact O-ND1 3.28Å; L841-H844 PolarHBondContact O-N 3.42Å; L841-H844 VanDerWaalsContact O-N 3.1Å; L842-H844 VanDerWaalsContact C-N 3.27Å; L842-H844 PolarHBondContact O-N 2.99Å; H844-Y846 HydrophobicContact CB-CD2 4.18Å; H844-Y846 HydrophobicContact CB-CE2 3.55Å; H844-Y846 WeakPolarHBondContact O-CD2 3.08Å; H844-Y846 PolarHBondContact O-N 2.74Å; H844-Y846 VanDerWaalsContact O-N 3.17Å; H844-R871 PolarHBondContact O-NH2 3.31Å
845	D	65.9	Low	75	Confident	99 Å²	99	49.9 Å²	49.9	53%	0.529	28%	0.277	S	S	.	.			trans	-77.4	99	175.1	-76.8	-36.4	0	0	0	111
846	Y	70.1	Confident	74.9	Confident	27 Å²	27	60.1 Å²	60.1	11%	0.106	31%	0.313	C	S	.	.			trans	-104.7	137.5	170.1	-62.2	-79.3	0	0	0	110.1	G796 A797 L799 L841 H844 M848 I849 A888	G796-Y846 WeakPolarHBondContact O-CD1 3.28Å; A797-Y846 CarbonylContact O-C 3.52Å; L799-Y846 HydrophobicContact CB-CD1 3.7Å; L799-Y846 HydrophobicContact CB-CD2 3.68Å; L799-Y846 HydrophobicContact CB-CE1 3.84Å; L799-Y846 HydrophobicContact CB-CE2 3.77Å; L799-Y846 HydrophobicContact CB-CG 3.64Å; L799-Y846 HydrophobicContact CD1-CE1 4.46Å; L799-Y846 HydrophobicContact CD1-CE2 4.29Å; L799-Y846 HydrophobicContact CD2-CD2 4.05Å; L799-Y846 HydrophobicContact CD2-CE2 3.73Å; L799-Y846 HydrophobicContact CG-CD2 4.41Å; L799-Y846 HydrophobicContact CG-CE2 4.12Å; L841-Y846 VanDerWaalsContact O-CE2 3.24Å; L841-Y846 WeakPolarHBondContact O-CE2 3.19Å; H844-Y846 HydrophobicContact CB-CD2 4.18Å; H844-Y846 HydrophobicContact CB-CE2 3.55Å; H844-Y846 WeakPolarHBondContact O-CD2 3.08Å; H844-Y846 PolarHBondContact O-N 2.74Å; H844-Y846 VanDerWaalsContact O-N 3.17Å; Y846-M848 VanDerWaalsContact C-N 3.28Å; Y846-M848 PolarHBondContact O-N 2.93Å; Y846-I849 HydrophobicContact CD2-CD1 4.18Å; Y846-I849 HydrophobicContact CD2-CG1 4.32Å; Y846-I849 HydrophobicContact CG-CG1 4.45Å; Y846-A888 WeakPolarHBondContact O-CA 3.29Å; Y846-A888 WeakPolarHBondContact O-CB 3.49Å
847	R	65.7	Low	75	Confident	94 Å²	94	58.2 Å²	58.2	36%	0.355	30%	0.298	S	S	.	.	S	Bend	trans	-61.2	-38	171.8	-174.2	179.9	179.3	173.9	1.6	112	V725 A797 A889	V725-R847 VanDerWaalsContact CG1-NH2 3.29Å; A797-R847 HydrophobicContact CB-CB 4.3Å; A797-R847 WeakPolarHBondContact O-CA 3.43Å; A797-R847 VanDerWaalsContact O-CB 3.29Å; A797-R847 WeakPolarHBondContact O-CB 3.43Å; A797-R847 PolarHBondContact O-N 3.37Å; R847-A889 PolarHBondContact O-N 2.87Å
848	M	74.5	Confident	75.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.8	-179.6	-171.6	-174.3	-167.9	0	0	110.4	F595 L730 I779 A797 F798 L799 Y846 V850 A889 V891	F595-M848 HydrophobicContact CD2-SD 4.25Å; F595-M848 HydrophobicContact CE2-CG 4.47Å; F595-M848 HydrophobicContact CE2-SD 3.78Å; L730-M848 HydrophobicContact CD1-CE 4.12Å; I779-M848 HydrophobicContact CB-CE 4.15Å; I779-M848 HydrophobicContact CD1-CE 3.67Å; I779-M848 HydrophobicContact CD1-SD 4.28Å; I779-M848 HydrophobicContact CG1-CE 4.48Å; I779-M848 HydrophobicContact CG2-CE 4.16Å; A797-M848 PolarHBondContact O-N 3.34Å; A797-M848 VanDerWaalsContact O-N 3.16Å; F798-M848 WeakPolarHBondContact CA-O 3.5Å; F798-M848 HydrophobicContact CD1-CB 3.67Å; F798-M848 HydrophobicContact CD1-CG 4.31Å; F798-M848 HydrophobicContact CD1-SD 4Å; F798-M848 HydrophobicContact CE1-CB 3.78Å; F798-M848 HydrophobicContact CE1-CG 4.39Å; F798-M848 HydrophobicContact CE1-SD 3.75Å; L799-M848 PolarHBondContact N-O 3.22Å; Y846-M848 VanDerWaalsContact C-N 3.28Å; Y846-M848 PolarHBondContact O-N 2.93Å; M848-V850 HydrophobicContact CE-CG2 3.78Å; M848-V850 HydrophobicContact CG-CG2 3.95Å; M848-V850 HydrophobicContact SD-CG2 3.88Å; M848-A889 WeakPolarHBondContact CA-O 3.49Å; M848-V891 HydrophobicContact CE-CB 3.4Å; M848-V891 HydrophobicContact CE-CG1 3.22Å; M848-V891 HydrophobicContact CE-CG2 4.01Å; M848-V891 HydrophobicContact CG-CB 3.97Å; M848-V891 HydrophobicContact CG-CG2 4.22Å
849	I	79	Confident	75.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.4	172.1	-56	-167.5	0	0	0	108.9	L799 I801 L842 Y846 A889 L890 V891	L799-I849 HydrophobicContact CB-CB 4.39Å; L799-I849 HydrophobicContact CB-CG1 4.03Å; L799-I849 HydrophobicContact CB-CG2 4.22Å; L799-I849 HydrophobicContact CD2-CD1 4Å; L799-I849 HydrophobicContact CD2-CG1 4.37Å; L799-I849 HydrophobicContact CD2-CG2 4.04Å; L799-I849 HydrophobicContact CG-CG2 4.26Å; L799-I849 CarbonylContact O-C 3.58Å; L799-I849 VanDerWaalsContact O-CA 3.31Å; L799-I849 WeakPolarHBondContact O-CA 3.27Å; I801-I849 HydrophobicContact CD1-CG2 3.8Å; I801-I849 HydrophobicContact CG1-CG2 4.4Å; L842-I849 HydrophobicContact CD2-CD1 3.5Å; L842-I849 VanDerWaalsContact CD2-CD1 3.5Å; Y846-I849 HydrophobicContact CD2-CD1 4.18Å; Y846-I849 HydrophobicContact CD2-CG1 4.32Å; Y846-I849 HydrophobicContact CG-CG1 4.45Å; I849-A889 PolarHBondContact N-O 3.15Å; I849-L890 HydrophobicContact CB-CD1 4.31Å; I849-L890 HydrophobicContact CB-CG 4.04Å; I849-L890 HydrophobicContact CD1-CD1 3.89Å; I849-L890 HydrophobicContact CG1-CD1 4.45Å; I849-L890 HydrophobicContact CG2-CG 4.36Å; I849-V891 CarbonylContact C-O 3.36Å; I849-V891 CarbonylContact O-C 3.54Å; I849-V891 PolarHBondContact O-N 3.3Å
850	V	83.6	Confident	75.7	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.4	-177.7	-175.6	0	0	0	0	110.8	I779 L784 L799 L800 I801 M848 I852 V891	I779-V850 HydrophobicContact CG2-CG1 3.92Å; I779-V850 HydrophobicContact CG2-CG2 4.31Å; L784-V850 HydrophobicContact CD1-CG2 3.95Å; L784-V850 HydrophobicContact CD2-CG1 4.18Å; L799-V850 PolarHBondContact O-N 3.03Å; L800-V850 WeakPolarHBondContact CA-O 3.33Å; L800-V850 HydrophobicContact CD2-CB 4.24Å; I801-V850 PolarHBondContact N-O 3Å; M848-V850 HydrophobicContact CE-CG2 3.78Å; M848-V850 HydrophobicContact CG-CG2 3.95Å; M848-V850 HydrophobicContact SD-CG2 3.88Å; V850-I852 HydrophobicContact CG1-CG1 4.22Å; V850-V891 VanDerWaalsContact CA-O 3.29Å; V850-V891 WeakPolarHBondContact CA-O 3.24Å
851	V	86.5	Confident	75.7	Confident	21 Å²	21	54 Å²	54	13%	0.127	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.1	175.2	-172.9	0	0	0	0	110	I801 V803 A860 T863	I801-V851 CarbonylContact O-C 3.54Å; I801-V851 WeakPolarHBondContact O-CA 3.3Å; V803-V851 HydrophobicContact CG1-CG1 3.67Å; V803-V851 HydrophobicContact CG2-CG1 4.44Å; V851-A860 HydrophobicContact CG1-CB 4.01Å; V851-T863 HydrophobicContact CG1-CG2 4.37Å
852	I	87.2	Confident	75.7	Confident	20 Å²	20	56.9 Å²	56.9	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.2	-177.6	-60.6	157.6	0	0	0	109	L800 I801 D802 V803 F814 V850	L800-I852 HydrophobicContact CB-CD1 4.22Å; L800-I852 HydrophobicContact CD2-CD1 3.66Å; I801-I852 PolarHBondContact O-N 3.3Å; D802-I852 WeakPolarHBondContact CA-O 3.35Å; D802-I852 HydrophobicContact CB-CB 4.47Å; V803-I852 VanDerWaalsContact CG2-O 3.32Å; V803-I852 WeakPolarHBondContact CG2-O 3.2Å; V803-I852 PolarHBondContact N-O 3.03Å; F814-I852 HydrophobicContact CB-CD1 4.17Å; F814-I852 HydrophobicContact CD2-CD1 3.54Å; F814-I852 HydrophobicContact CD2-CG1 4.39Å; F814-I852 HydrophobicContact CD2-CG2 4.19Å; F814-I852 HydrophobicContact CE2-CD1 4.12Å; F814-I852 HydrophobicContact CE2-CG2 4Å; F814-I852 HydrophobicContact CG-CD1 3.95Å; V850-I852 HydrophobicContact CG1-CG1 4.22Å
853	G	85.4	Confident	75.9	Confident	25 Å²	25	56.3 Å²	56.3	26%	0.258	29%	0.285	S	S	.	.			trans	-146.6	-175.9	174.3	0	0	0	0	0	112.6
854	S	79.2	Confident	76.2	Confident	31 Å²	31	54.5 Å²	54.5	22%	0.217	27%	0.266	C	S	.	.			trans	-73.3	138	174.8	-176.8	0	0	0	0	110.2	R856 D857	S854-R856 PolarHBondContact O-N 3.24Å; S854-R856 VanDerWaalsContact O-N 3.14Å; S854-R856 PolarHBondContact OG-N 3Å; S854-D857 PolarHBondContact O-N 3.38Å
855	S	69.3	Low	76.3	Confident	103 Å²	103	57.5 Å²	57.5	72%	0.72	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-10.5	173.7	65.9	0	0	0	0	113.3
856	R	68.7	Low	76.5	Confident	234 Å²	234	54.4 Å²	54.4	88%	0.883	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.8	-177.8	-60.5	-177.5	179.1	-177.9	-1.5	113.5	S854	S854-R856 PolarHBondContact O-N 3.24Å; S854-R856 VanDerWaalsContact O-N 3.14Å; S854-R856 PolarHBondContact OG-N 3Å
857	D	73.4	Confident	76.6	Confident	55 Å²	55	53.1 Å²	53.1	29%	0.294	25%	0.254	S	S	.	.	S	Bend	trans	-143.4	164.5	-178.8	67.6	44.7	0	0	0	112.7	S854 R859	S854-D857 PolarHBondContact O-N 3.38Å; D857-R859 VanDerWaalsContact C-N 3.31Å; D857-R859 HydrophobicContact CB-CG 4.19Å; D857-R859 WeakPolarHBondContact OD1-CB 3.16Å; D857-R859 VanDerWaalsContact OD1-CG 3.27Å; D857-R859 WeakPolarHBondContact OD1-CG 3.35Å; D857-R859 PolarHBondContact OD1-N 3.3Å; D857-R859 VanDerWaalsContact OD2-CD 3.24Å; D857-R859 WeakPolarHBondContact OD2-CD 3.41Å; D857-R859 IonicContact OD2-CZ 3.66Å; D857-R859 IonicContact OD2-NE 3.48Å; D857-R859 PolarHBondContact OD2-NE 3.48Å; D857-R859 IonicContact OD2-NH1 3.57Å
858	C	74.5	Confident	76.6	Confident	43 Å²	43	50.1 Å²	50.1	29%	0.291	25%	0.249	S	C	.	.	S	Bend	trans	-92.2	16.9	179.5	59.6	0	0	0	0	113.3	A860 R861 K862	C858-A860 PolarHBondContact O-N 2.74Å; C858-R861 PolarHBondContact O-N 3.45Å; C858-K862 WeakPolarHBondContact O-CG 3.35Å; C858-K862 PolarHBondContact O-N 3.44Å
859	R	82	Confident	76.1	Confident	100 Å²	100	57.6 Å²	57.6	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-39.9	-171.4	-67.9	178.5	-179.1	166.4	-2.1	112.7	V803 Y822 D857 K862 T863	V803-R859 HydrophobicContact CG2-CB 4.33Å; Y822-R859 HydrophobicContact CD1-CB 4.39Å; Y822-R859 HydrophobicContact CD1-CG 3.79Å; Y822-R859 HydrophobicContact CD2-CB 3.36Å; Y822-R859 HydrophobicContact CD2-CG 3.65Å; Y822-R859 HydrophobicContact CE1-CG 4Å; Y822-R859 HydrophobicContact CE2-CB 3.77Å; Y822-R859 HydrophobicContact CE2-CG 3.84Å; Y822-R859 HydrophobicContact CG-CB 3.7Å; Y822-R859 HydrophobicContact CG-CG 3.61Å; D857-R859 VanDerWaalsContact C-N 3.31Å; D857-R859 HydrophobicContact CB-CG 4.19Å; D857-R859 WeakPolarHBondContact OD1-CB 3.16Å; D857-R859 VanDerWaalsContact OD1-CG 3.27Å; D857-R859 WeakPolarHBondContact OD1-CG 3.35Å; D857-R859 PolarHBondContact OD1-N 3.3Å; D857-R859 VanDerWaalsContact OD2-CD 3.24Å; D857-R859 WeakPolarHBondContact OD2-CD 3.41Å; D857-R859 IonicContact OD2-CZ 3.66Å; D857-R859 IonicContact OD2-NE 3.48Å; D857-R859 PolarHBondContact OD2-NE 3.48Å; D857-R859 IonicContact OD2-NH1 3.57Å; R859-K862 PolarHBondContact O-N 3.03Å; R859-T863 WeakPolarHBondContact O-CB 3.25Å; R859-T863 PolarHBondContact O-N 3.47Å; R859-T863 PolarHBondContact O-OG1 3.38Å
860	A	80	Confident	75.4	Confident	18 Å²	18	60 Å²	60	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-48	175	0	0	0	0	0	111.1	V803 V851 C858 K862 T863 Y864	V803-A860 HydrophobicContact CG2-CB 4.15Å; V851-A860 HydrophobicContact CG1-CB 4.01Å; C858-A860 PolarHBondContact O-N 2.74Å; A860-K862 PolarHBondContact O-N 3.2Å; A860-T863 PolarHBondContact O-N 2.87Å; A860-Y864 WeakPolarHBondContact O-CB 3.35Å; A860-Y864 PolarHBondContact O-N 3.17Å
861	R	75.8	Confident	74.4	Confident	58 Å²	58	60.5 Å²	60.5	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-44.1	178.4	-68.9	178.4	-178.4	172.6	-0.7	112.7	F776 E778 C858 Y864 R865	F776-R861 HydrophobicContact CB-CG 4.47Å; F776-R861 HydrophobicContact CD1-CB 4.49Å; F776-R861 HydrophobicContact CD2-CB 3.82Å; F776-R861 HydrophobicContact CD2-CG 3.57Å; F776-R861 HydrophobicContact CE1-CB 4.34Å; F776-R861 HydrophobicContact CE2-CB 3.64Å; F776-R861 HydrophobicContact CE2-CG 3.9Å; F776-R861 HydrophobicContact CG-CB 4.24Å; F776-R861 HydrophobicContact CG-CG 3.97Å; F776-R861 HydrophobicContact CZ-CB 3.91Å; E778-R861 IonicContact OE1-CZ 3.54Å; E778-R861 IonicContact OE1-NE 3.6Å; E778-R861 IonicContact OE1-NH2 3.13Å; E778-R861 PolarHBondContact OE1-NH2 3.22Å; C858-R861 PolarHBondContact O-N 3.45Å; R861-Y864 WeakPolarHBondContact O-CB 3.31Å; R861-Y864 PolarHBondContact O-N 2.82Å; R861-R865 PolarHBondContact O-N 3.47Å
862	K	76.8	Confident	73	Confident	77 Å²	77	63.3 Å²	63.3	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-44.1	174.8	-74.6	-177.5	178	-176.8	0	112.1	Y822 F826 C858 R859 A860 R865 V866	Y822-K862 HydrophobicContact CE2-CB 4.05Å; Y822-K862 HydrophobicContact CE2-CD 4.42Å; Y822-K862 WeakPolarHBondContact OH-CD 3.33Å; F826-K862 HydrophobicContact CE1-CB 4.41Å; F826-K862 HydrophobicContact CZ-CB 4.2Å; F826-K862 WeakPolarHBondContact CZ-O 3.19Å; C858-K862 WeakPolarHBondContact O-CG 3.35Å; C858-K862 PolarHBondContact O-N 3.44Å; R859-K862 PolarHBondContact O-N 3.03Å; A860-K862 PolarHBondContact O-N 3.2Å; K862-R865 PolarHBondContact O-N 3.1Å; K862-V866 WeakPolarHBondContact O-CG2 3.46Å; K862-V866 PolarHBondContact O-N 3.01Å; K862-V866 VanDerWaalsContact O-N 3.15Å
863	T	77.2	Confident	71.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-42.3	178	-50.1	0	0	0	0	111.5	V803 F826 V851 R859 A860 R865 V866 A867	V803-T863 HydrophobicContact CG1-CG2 3.78Å; F826-T863 HydrophobicContact CE2-CG2 4.34Å; F826-T863 WeakPolarHBondContact CE2-OG1 3.5Å; V851-T863 HydrophobicContact CG1-CG2 4.37Å; R859-T863 WeakPolarHBondContact O-CB 3.25Å; R859-T863 PolarHBondContact O-N 3.47Å; R859-T863 PolarHBondContact O-OG1 3.38Å; A860-T863 PolarHBondContact O-N 2.87Å; T863-R865 PolarHBondContact O-N 3.47Å; T863-V866 PolarHBondContact O-N 2.98Å; T863-A867 VanDerWaalsContact O-CB 3.3Å; T863-A867 WeakPolarHBondContact O-CB 3.47Å; T863-A867 PolarHBondContact O-N 3.24Å
864	Y	77	Confident	69.6	Low	38 Å²	38	65.8 Å²	65.8	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-54.6	-50.2	172.3	169.5	-82.4	0	0	0	111.1	F776 P777 A860 R861 V866 A867 A868 L890 V891	F776-Y864 AromaticContact CD1-CD1 3.29Å; F776-Y864 HydrophobicContact CD1-CD1 3.29Å; F776-Y864 AromaticContact CD1-CE1 3.58Å; F776-Y864 HydrophobicContact CD1-CE1 3.58Å; F776-Y864 HydrophobicContact CD1-CG 4.14Å; F776-Y864 AromaticContact CE1-CD1 3.6Å; F776-Y864 HydrophobicContact CE1-CD1 3.6Å; F776-Y864 HydrophobicContact CE1-CE1 4.08Å; F776-Y864 HydrophobicContact CG-CD1 4.49Å; P777-Y864 HydrophobicContact CG-CE2 4.23Å; A860-Y864 WeakPolarHBondContact O-CB 3.35Å; A860-Y864 PolarHBondContact O-N 3.17Å; R861-Y864 WeakPolarHBondContact O-CB 3.31Å; R861-Y864 PolarHBondContact O-N 2.82Å; Y864-V866 VanDerWaalsContact C-N 3.28Å; Y864-V866 PolarHBondContact O-N 3.14Å; Y864-A867 PolarHBondContact O-N 2.92Å; Y864-A868 HydrophobicContact CE1-CB 4.41Å; Y864-A868 WeakPolarHBondContact O-CB 3.48Å; Y864-A868 PolarHBondContact O-N 3.18Å; Y864-L890 HydrophobicContact CD2-CD2 3.65Å; Y864-L890 HydrophobicContact CE2-CB 4.14Å; Y864-L890 HydrophobicContact CE2-CD2 3.7Å; Y864-L890 HydrophobicContact CE2-CG 4.4Å; Y864-L890 HydrophobicContact CG-CD2 4.27Å; Y864-L890 PolarHBondContact OH-O 2.96Å; Y864-V891 WeakPolarHBondContact CD2-OXT 3.45Å; Y864-V891 WeakPolarHBondContact CE2-OXT 3.48Å
865	R	69.9	Low	68.2	Low	156 Å²	156	66.7 Å²	66.7	59%	0.589	32%	0.319	S	S	*	.	H	α-helix	trans	-59.6	-42.1	-177.5	-170.1	175.3	179.7	167.1	-0.3	111.9	F776 R861 K862 T863 F869	F776-R865 HydrophobicContact CE1-CB 4.17Å; R861-R865 PolarHBondContact O-N 3.47Å; K862-R865 PolarHBondContact O-N 3.1Å; T863-R865 PolarHBondContact O-N 3.47Å; R865-F869 WeakPolarHBondContact O-CB 3Å; R865-F869 PolarHBondContact O-N 3.27Å
866	V	70.9	Confident	66.9	Low	33 Å²	33	69.4 Å²	69.4	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-71.1	-41.5	179.1	168.3	0	0	0	0	111.2	F826 C831 F834 K862 T863 Y864 F869 Q870	F826-V866 HydrophobicContact CE1-CB 4.46Å; F826-V866 HydrophobicContact CE1-CG2 3.69Å; F826-V866 HydrophobicContact CZ-CB 3.86Å; F826-V866 HydrophobicContact CZ-CG1 4.23Å; F826-V866 HydrophobicContact CZ-CG2 3.54Å; C831-V866 HydrophobicContact CB-CG1 4.27Å; C831-V866 HydrophobicContact CB-CG2 4.38Å; F834-V866 HydrophobicContact CD2-CG1 4.12Å; F834-V866 HydrophobicContact CE2-CB 4.46Å; F834-V866 HydrophobicContact CE2-CG1 3.14Å; F834-V866 HydrophobicContact CZ-CG1 3.57Å; F834-V866 WeakPolarHBondContact CZ-O 3.44Å; K862-V866 WeakPolarHBondContact O-CG2 3.46Å; K862-V866 PolarHBondContact O-N 3.01Å; K862-V866 VanDerWaalsContact O-N 3.15Å; T863-V866 PolarHBondContact O-N 2.98Å; Y864-V866 VanDerWaalsContact C-N 3.28Å; Y864-V866 PolarHBondContact O-N 3.14Å; V866-F869 PolarHBondContact O-N 3.21Å; V866-Q870 WeakPolarHBondContact O-CB 3.49Å; V866-Q870 PolarHBondContact O-N 3.12Å
867	A	71.2	Confident	65.6	Low	1 Å²	1	63.6 Å²	63.6	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-43.3	173.4	0	0	0	0	0	112.6	L842 T863 Y864 R871 L890	L842-A867 HydrophobicContact CD1-CB 4.1Å; T863-A867 VanDerWaalsContact O-CB 3.3Å; T863-A867 WeakPolarHBondContact O-CB 3.47Å; T863-A867 PolarHBondContact O-N 3.24Å; Y864-A867 PolarHBondContact O-N 2.92Å; A867-R871 VanDerWaalsContact O-CB 3.3Å; A867-R871 WeakPolarHBondContact O-CB 3.15Å; A867-R871 PolarHBondContact O-N 2.89Å; A867-L890 HydrophobicContact CB-CD2 3.99Å
868	A	67.2	Low	63.9	Low	31 Å²	31	66.7 Å²	66.7	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-46.7	175.3	0	0	0	0	0	111.2	Y864 R871 Y872 L890	Y864-A868 HydrophobicContact CE1-CB 4.41Å; Y864-A868 WeakPolarHBondContact O-CB 3.48Å; Y864-A868 PolarHBondContact O-N 3.18Å; A868-R871 PolarHBondContact O-N 3.05Å; A868-Y872 WeakPolarHBondContact O-CB 3.5Å; A868-Y872 PolarHBondContact O-N 3.01Å; A868-L890 HydrophobicContact CB-CD2 4.02Å
869	F	63.6	Low	62.2	Low	156 Å²	156	66.7 Å²	66.7	68%	0.684	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-45.6	179.6	-168.4	-91.7	0	0	0	112.5	R865 V866 R871 Y872 A873	R865-F869 WeakPolarHBondContact O-CB 3Å; R865-F869 PolarHBondContact O-N 3.27Å; V866-F869 PolarHBondContact O-N 3.21Å; F869-R871 VanDerWaalsContact C-N 3.31Å; F869-R871 PolarHBondContact O-N 3.22Å; F869-Y872 PolarHBondContact O-N 3.32Å; F869-A873 PolarHBondContact O-N 3.07Å
870	Q	64.1	Low	60.2	Low	51 Å²	51	72.3 Å²	72.3	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-43.4	176.6	-166	94	-9.9	0	0	110.8	F834 E839 V866 A873 V874	F834-Q870 HydrophobicContact CD1-CG 4.02Å; F834-Q870 HydrophobicContact CD2-CB 4.42Å; F834-Q870 HydrophobicContact CD2-CG 4.04Å; F834-Q870 HydrophobicContact CE1-CB 3.93Å; F834-Q870 HydrophobicContact CE1-CG 3.75Å; F834-Q870 HydrophobicContact CE2-CB 3.6Å; F834-Q870 HydrophobicContact CE2-CG 3.71Å; F834-Q870 VanDerWaalsContact CG-CD 3.49Å; F834-Q870 HydrophobicContact CG-CG 4.16Å; F834-Q870 VanDerWaalsContact CG-NE2 3.3Å; F834-Q870 HydrophobicContact CZ-CB 3.34Å; F834-Q870 HydrophobicContact CZ-CG 3.6Å; E839-Q870 PolarHBondContact OE1-NE2 3.48Å; V866-Q870 WeakPolarHBondContact O-CB 3.49Å; V866-Q870 PolarHBondContact O-N 3.12Å; Q870-A873 WeakPolarHBondContact O-CB 3.13Å; Q870-A873 PolarHBondContact O-N 2.82Å; Q870-V874 WeakPolarHBondContact O-CG2 3.21Å; Q870-V874 PolarHBondContact O-N 3.34Å
871	R	61.7	Low	58.2	Low	18 Å²	18	78.8 Å²	78.8	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-44.8	178.3	-166.8	177.2	-168.8	143.2	29.9	111.9	H844 A867 A868 F869 A873 V874 E875 L890	H844-R871 PolarHBondContact O-NH2 3.31Å; A867-R871 VanDerWaalsContact O-CB 3.3Å; A867-R871 WeakPolarHBondContact O-CB 3.15Å; A867-R871 PolarHBondContact O-N 2.89Å; A868-R871 PolarHBondContact O-N 3.05Å; F869-R871 VanDerWaalsContact C-N 3.31Å; F869-R871 PolarHBondContact O-N 3.22Å; R871-A873 PolarHBondContact O-N 3.4Å; R871-V874 PolarHBondContact O-N 2.74Å; R871-V874 VanDerWaalsContact O-N 3.16Å; R871-E875 HydrophobicContact CG-CG 4.47Å; R871-E875 IonicContact NE-OE1 3.5Å; R871-E875 PolarHBondContact NE-OE1 2.76Å; R871-E875 WeakPolarHBondContact O-CB 3.25Å; R871-E875 WeakPolarHBondContact O-CG 3.32Å; R871-E875 PolarHBondContact O-N 2.78Å; R871-L890 HydrophobicContact CB-CD1 4.36Å
872	Y	57.4	Low	56.2	Low	81 Å²	81	81.8 Å²	81.8	32%	0.318	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-37.6	174.5	-164.3	-85	0	0	0	111.7	C605 A868 F869 R876	C605-Y872 HydrophobicContact CB-CE2 4.01Å; C605-Y872 PolarHBondContact O-OH 3.48Å; A868-Y872 WeakPolarHBondContact O-CB 3.5Å; A868-Y872 PolarHBondContact O-N 3.01Å; F869-Y872 PolarHBondContact O-N 3.32Å; Y872-R876 PolarHBondContact O-N 3.08Å; Y872-R876 VanDerWaalsContact O-N 3.14Å
873	A	51.6	Low	54.2	Low	42 Å²	42	82.5 Å²	82.5	35%	0.347	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-43.7	174.5	0	0	0	0	0	113	F869 Q870 R871 R876 I877	F869-A873 PolarHBondContact O-N 3.07Å; Q870-A873 WeakPolarHBondContact O-CB 3.13Å; Q870-A873 PolarHBondContact O-N 2.82Å; R871-A873 PolarHBondContact O-N 3.4Å; A873-R876 WeakPolarHBondContact O-CB 3.35Å; A873-R876 PolarHBondContact O-N 3.39Å; A873-I877 WeakPolarHBondContact O-CG1 3.31Å; A873-I877 PolarHBondContact O-N 3.14Å
874	V	50.4	Low	52	Low	55 Å²	55	87.5 Å²	87.5	33%	0.333	44%	0.442	S	S	.	.	H	α-helix	trans	-63.1	-42.8	176.3	170.9	0	0	0	0	111.2	Q870 R871 R876 I877 H878	Q870-V874 WeakPolarHBondContact O-CG2 3.21Å; Q870-V874 PolarHBondContact O-N 3.34Å; R871-V874 PolarHBondContact O-N 2.74Å; R871-V874 VanDerWaalsContact O-N 3.16Å; V874-R876 VanDerWaalsContact C-N 3.33Å; V874-R876 PolarHBondContact O-N 2.86Å; V874-I877 PolarHBondContact O-N 2.87Å; V874-I877 VanDerWaalsContact O-N 3.08Å; V874-H878 PolarHBondContact O-N 2.73Å
875	E	49.4	Very low	50	Low	50 Å²	50	93.8 Å²	93.8	23%	0.234	47%	0.47	C	S	.	.	H	α-helix	trans	-63.5	-36.9	177.3	-73.8	-178.6	-174.5	0	0	112.1	R871 I877 H878 A879	R871-E875 HydrophobicContact CG-CG 4.47Å; R871-E875 IonicContact NE-OE1 3.5Å; R871-E875 PolarHBondContact NE-OE1 2.76Å; R871-E875 WeakPolarHBondContact O-CB 3.25Å; R871-E875 WeakPolarHBondContact O-CG 3.32Å; R871-E875 PolarHBondContact O-N 2.78Å; E875-I877 VanDerWaalsContact C-N 3.29Å; E875-I877 PolarHBondContact O-N 2.82Å; E875-H878 PolarHBondContact O-N 3.24Å; E875-A879 WeakPolarHBondContact O-CB 3.33Å; E875-A879 PolarHBondContact O-N 2.94Å
876	R	42.5	Very low	48.4	Very low	160 Å²	160	89.4 Å²	89.4	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-37.2	171.8	-109.8	-173.7	173.7	-171.6	0.2	112.6	Y872 A873 V874 Y880	Y872-R876 PolarHBondContact O-N 3.08Å; Y872-R876 VanDerWaalsContact O-N 3.14Å; A873-R876 WeakPolarHBondContact O-CB 3.35Å; A873-R876 PolarHBondContact O-N 3.39Å; V874-R876 VanDerWaalsContact C-N 3.33Å; V874-R876 PolarHBondContact O-N 2.86Å; R876-Y880 WeakPolarHBondContact O-CD2 3.48Å
877	I	40.6	Very low	46.8	Very low	112 Å²	112	93.1 Å²	93.1	57%	0.574	48%	0.478	S	S	*	.	H	α-helix	trans	-75.1	-42.5	-179.5	-63	170.1	0	0	0	110.9	A873 V874 E875 Y880	A873-I877 WeakPolarHBondContact O-CG1 3.31Å; A873-I877 PolarHBondContact O-N 3.14Å; V874-I877 PolarHBondContact O-N 2.87Å; V874-I877 VanDerWaalsContact O-N 3.08Å; E875-I877 VanDerWaalsContact C-N 3.29Å; E875-I877 PolarHBondContact O-N 2.82Å; I877-Y880 PolarHBondContact O-N 3.4Å
878	H	37.9	Very low	45.3	Very low	120 Å²	120	93.3 Å²	93.3	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-72.5	-32.9	179.7	-78	-46.7	0	0	0	113.4	V874 E875 Y880 K881 D882	V874-H878 PolarHBondContact O-N 2.73Å; E875-H878 PolarHBondContact O-N 3.24Å; H878-Y880 PolarHBondContact O-N 3.11Å; H878-Y880 VanDerWaalsContact O-N 3.14Å; H878-K881 PolarHBondContact O-N 2.98Å; H878-D882 PolarHBondContact O-N 3Å
879	A	39.8	Very low	44.3	Very low	43 Å²	43	91.9 Å²	91.9	36%	0.355	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	176.1	0	0	0	0	0	114	K606 E875	K606-A879 HydrophobicContact CD-CB 4.44Å; E875-A879 WeakPolarHBondContact O-CB 3.33Å; E875-A879 PolarHBondContact O-N 2.94Å
880	Y	39.5	Very low	43.7	Very low	217 Å²	217	85.6 Å²	85.6	85%	0.851	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-15.9	172.6	-92.9	-81.2	0	0	0	113.8	R876 I877 H878	R876-Y880 WeakPolarHBondContact O-CD2 3.48Å; I877-Y880 PolarHBondContact O-N 3.4Å; H878-Y880 PolarHBondContact O-N 3.11Å; H878-Y880 VanDerWaalsContact O-N 3.14Å
881	K	38.8	Very low	42.8	Very low	154 Å²	154	83.7 Å²	83.7	67%	0.67	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-48.8	-170.4	-78.9	-175.5	171.3	179.7	0	114.3	H878	H878-K881 PolarHBondContact O-N 2.98Å
882	D	33.5	Very low	41.9	Very low	121 Å²	121	87 Å²	87	65%	0.647	45%	0.451	S	S	*	.			trans	-143.7	120	-171.7	-69.8	-56.8	0	0	0	111.9	H878 T884	H878-D882 PolarHBondContact O-N 3Å; D882-T884 PolarHBondContact O-N 3.27Å
883	G	34.6	Very low	41.1	Very low	92 Å²	92	87.3 Å²	87.3	95%	0.948	46%	0.458	S	S	*	.			trans	-72.3	41.8	-176	0	0	0	0	0	115.7
884	T	31.1	Very low	40.5	Very low	106 Å²	106	89.8 Å²	89.8	65%	0.65	46%	0.464	S	S	*	.			trans	-130.3	125.4	-174.2	39	0	0	0	0	114.1	D882	D882-T884 PolarHBondContact O-N 3.27Å
885	K	33.4	Very low	39.9	Very low	171 Å²	171	91.8 Å²	91.8	74%	0.743	47%	0.472	S	S	*	.			trans	47.1	93.3	156.5	-61.4	-177.1	-179.6	179.9	0	117.8
886	C	37.7	Very low	39.3	Very low	64 Å²	64	94.4 Å²	94.4	43%	0.432	49%	0.487	S	S	.	.			trans	-100.7	132.1	161.3	-57.3	0	0	0	0	108.9	Q599	Q599-C886 WeakPolarHBondContact CG-O 3.38Å; Q599-C886 PolarHBondContact NE2-O 3.15Å
887	Q	36.1	Very low	39.1	Very low	111 Å²	111	90.1 Å²	90.1	52%	0.519	48%	0.479	S	S	.	.			trans	-134.5	31.6	-175.8	-86.4	-161.5	-20.7	0	0	116.2	C598 Q599	C598-Q887 WeakPolarHBondContact SG-CA 3.48Å; C598-Q887 PolarHBondContact SG-O 3.36Å; Q599-Q887 HydrophobicContact CG-CG 4.46Å
888	A	40.7	Very low	39	Very low	4 Å²	4	88.5 Å²	88.5	3%	0.033	47%	0.472	C	S	.	.			trans	-132.2	135.9	-166.4	0	0	0	0	0	117.2	N602 Y846	N602-A888 PolarHBondContact ND2-O 3.49Å; Y846-A888 WeakPolarHBondContact O-CA 3.29Å; Y846-A888 WeakPolarHBondContact O-CB 3.49Å
889	A	45.5	Very low	39.1	Very low	2 Å²	2	86.1 Å²	86.1	2%	0.017	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.3	164.9	0	0	0	0	0	110.5	A594 R847 M848 I849 V891	A594-A889 HydrophobicContact CB-CB 3.85Å; A594-A889 WeakPolarHBondContact O-CB 3.48Å; R847-A889 PolarHBondContact O-N 2.87Å; M848-A889 WeakPolarHBondContact CA-O 3.49Å; I849-A889 PolarHBondContact N-O 3.15Å; A889-V891 HydrophobicContact CB-CG2 4.39Å
890	L	51.1	Low	39	Very low	24 Å²	24	89.7 Å²	89.7	13%	0.126	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127	166.4	-130.3	109.2	0	0	0	107.2	L842 I849 Y864 A867 A868 R871	L842-L890 HydrophobicContact CD2-CD1 4.48Å; I849-L890 HydrophobicContact CB-CD1 4.31Å; I849-L890 HydrophobicContact CB-CG 4.04Å; I849-L890 HydrophobicContact CD1-CD1 3.89Å; I849-L890 HydrophobicContact CG1-CD1 4.45Å; I849-L890 HydrophobicContact CG2-CG 4.36Å; Y864-L890 HydrophobicContact CD2-CD2 3.65Å; Y864-L890 HydrophobicContact CE2-CB 4.14Å; Y864-L890 HydrophobicContact CE2-CD2 3.7Å; Y864-L890 HydrophobicContact CE2-CG 4.4Å; Y864-L890 HydrophobicContact CG-CD2 4.27Å; Y864-L890 PolarHBondContact OH-O 2.96Å; A867-L890 HydrophobicContact CB-CD2 3.99Å; A868-L890 HydrophobicContact CB-CD2 4.02Å; R871-L890 HydrophobicContact CB-CD1 4.36Å
891	V	46	Very low	39	Very low	10 Å²	10	78.1 Å²	78.1	6%	0.061	44%	0.441	C	S	.	.			trans	-135.6	0	-179.9	175.8	0	0	0	0	111	L730 P777 M848 I849 V850 Y864 A889	L730-V891 HydrophobicContact CD1-CG1 3.9Å; L730-V891 HydrophobicContact CD1-CG2 4.19Å; L730-V891 HydrophobicContact CD2-CG1 3.31Å; L730-V891 HydrophobicContact CG-CG1 4.24Å; P777-V891 HydrophobicContact CB-CG1 3.97Å; P777-V891 HydrophobicContact CG-CG1 4.15Å; M848-V891 HydrophobicContact CE-CB 3.4Å; M848-V891 HydrophobicContact CE-CG1 3.22Å; M848-V891 HydrophobicContact CE-CG2 4.01Å; M848-V891 HydrophobicContact CG-CB 3.97Å; M848-V891 HydrophobicContact CG-CG2 4.22Å; I849-V891 CarbonylContact C-O 3.36Å; I849-V891 CarbonylContact O-C 3.54Å; I849-V891 PolarHBondContact O-N 3.3Å; V850-V891 VanDerWaalsContact CA-O 3.29Å; V850-V891 WeakPolarHBondContact CA-O 3.24Å; Y864-V891 WeakPolarHBondContact CD2-OXT 3.45Å; Y864-V891 WeakPolarHBondContact CE2-OXT 3.48Å; A889-V891 HydrophobicContact CB-CG2 4.39Å

Retrieved 891 of 891 residues in 197.1 ms (Link to these results)

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