A0A087X9C9_POEFO Loading...

V-type proton ATPase subunit a

Essential component of the vacuolar proton pump (V-ATPase), a multimeric enzyme that catalyzes the translocation of protons across the membranes. Required for assembly and activity of the V-ATPase.

AlphaFold DB , UniProt , Accession A0A087X9C9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 824 aa.

						>A0A087X9C9_POEFO|A0A087X9C9
MGSLFRSEEVCLVQLFLQSGSAYNCVSELGELGLVEFRDLNPNVNAFQRKFVSEVRRCEELEKTFSFLEQEINRSLKPQRPLAPPSPVPSAPQPRELITIEEESERLARELKEVSRNRDSLRAQLTQLCQYKGVLTQTHSLTASQAPPPVLESHGLFDHRQDIRLSFVAGVVHPWKVPSFERLLWRACRGYIIVDFREMDERLEHPDTGEMVQWTVFLISFWGDQIGQKVKKICDCFHTQTFAYPESTAEREDILRDLHGRIEDIKSVLSQTEAFLQQLLQRAVALLPQWKVRVQKCKAIQLVLNLCSPSVTDKCLIAEAWCPTAKLPELQSALREGGRKSGSGVDSFYNRLPCSTPPPTLFPLNSFTAGFQNIVDAYGVASYREVNPAVYTIITFPFLFAVMFGDVGHGLLMSLAALWMVLEEKDPKLKNNNNEIWKMMFGGRYLILLMGLFSIYTGAIYNECFSRGMKTFNSGWHVGPMFDKNIWNSSVLRGNQFLSMDPNVTGVFTSPYPFGIDPVWGLANNKLTFLNSYKMKMSVIVGIIHMTFGVCLSFFNYWHFGKISSIFFVLLPELFFMLCLFGYLVFMVVFKWIVYTPAESRIAPSILIHFIDMFLFTDNPENPQLYTGQLIVQKVLVVLALCSVPVLLLGKPLCEYVAFKSKRRRHIDEERQPLVAEDGSVNTRQGEVEGGPADEEEFDAADVFMHQAIHTIEYCLGCISNTASYLRLWALSLAHAQLSEVLWVMVMRLALRWEGYVGSALIFVIFAAFAVLTVSILLVMEGLSAFLHALRLHWVEFQNKFYSGTGYKLSPFSFNSLIHASAAV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	75	Confident	246 Å²	246	63.4 Å²	63.4	100%	1.212	35%	0.348	S	S	*	.				0	1	0	-71.8	-168.6	-175.4	0	0	114.2
2	G	46.5	Very low	76.5	Confident	65 Å²	65	58.5 Å²	58.5	67%	0.67	32%	0.321	S	S	*	.			trans	-91.7	4.9	-179.2	0	0	0	0	0	116.9
3	S	58.9	Low	77.7	Confident	44 Å²	44	54 Å²	54	31%	0.308	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.2	-167.5	55.8	0	0	0	0	116	R6 P363	S3-R6 CarbonylContact C-O 3.44Å; S3-P363 WeakPolarHBondContact O-CD 3.41Å; S3-P363 WeakPolarHBondContact OG-CG 3.45Å
4	L	72	Confident	78.7	Confident	47 Å²	47	52.8 Å²	52.8	25%	0.246	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-28.2	176.8	-116.3	146.5	0	0	0	112.3	T368 N387 V390	L4-T368 HydrophobicContact CD1-CG2 4.34Å; L4-T368 HydrophobicContact CD2-CG2 4.3Å; L4-N387 WeakPolarHBondContact O-CB 3.5Å; L4-N387 PolarHBondContact O-ND2 3.24Å; L4-V390 HydrophobicContact CB-CG2 4.22Å; L4-V390 HydrophobicContact CD2-CG2 3.95Å; L4-V390 VanDerWaalsContact O-CG2 3.28Å; L4-V390 WeakPolarHBondContact O-CG2 3.43Å
5	F	84.4	Confident	79.6	Confident	63 Å²	63	49.3 Å²	49.3	28%	0.276	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.1	179.3	-179.1	-115.2	0	0	0	112.6	V386 N387 Y391 F555	F5-V386 HydrophobicContact CD2-CG1 4.18Å; F5-V386 HydrophobicContact CE1-CG2 3.95Å; F5-V386 HydrophobicContact CE2-CB 4.46Å; F5-V386 HydrophobicContact CE2-CG1 3.55Å; F5-V386 HydrophobicContact CE2-CG2 4.1Å; F5-V386 HydrophobicContact CZ-CB 4.41Å; F5-V386 HydrophobicContact CZ-CG1 3.91Å; F5-V386 HydrophobicContact CZ-CG2 3.58Å; F5-V386 WeakPolarHBondContact O-CA 3.29Å; F5-N387 PolarHBondContact O-N 3.27Å; F5-Y391 HydrophobicContact CE2-CE2 4.3Å; F5-Y391 VanDerWaalsContact CE2-OH 3.3Å; F5-Y391 WeakPolarHBondContact CE2-OH 3.45Å; F5-F555 HydrophobicContact CZ-CB 4.38Å; F5-F555 HydrophobicContact CZ-CG 4.39Å
6	R	85.9	Confident	80.3	Confident	51 Å²	51	49.4 Å²	49.4	19%	0.192	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-141	159.8	177.8	-70.2	-174.9	175.4	156.9	2.8	110.3	S3 F555 H559	S3-R6 CarbonylContact C-O 3.44Å; R6-F555 PolarHBondContact NH2-O 2.84Å; R6-H559 PolarHBondContact NH1-CD2 2.92Å; R6-H559 PolarHBondContact NH1-CE1 2.96Å; R6-H559 PolarHBondContact NH1-NE2 3.34Å
7	S	87.2	Confident	80.9	Confident	8 Å²	8	46.5 Å²	46.5	6%	0.056	25%	0.25	C	C	.	.			trans	-62.3	150.5	177.5	71	0	0	0	0	111.4	L361 F362 R384	S7-L361 WeakPolarHBondContact CA-O 3.41Å; S7-F362 VanDerWaalsContact N-CE1 3.32Å; S7-R384 WeakPolarHBondContact OG-CA 3.41Å; S7-R384 PolarHBondContact OG-N 3.23Å
8	E	87.3	Confident	81.3	Confident	40 Å²	40	46.9 Å²	46.9	19%	0.187	25%	0.25	C	S	.	.			trans	-66	152.8	173.3	-72.2	-171.2	171.8	0	0	112.1	V10 L361 P363 Y383	E8-V10 PolarHBondContact O-N 2.83Å; E8-L361 PolarHBondContact N-O 3.3Å; E8-L361 WeakPolarHBondContact OE2-CD2 3.27Å; E8-P363 WeakPolarHBondContact OE1-CG 3.24Å; E8-Y383 WeakPolarHBondContact O-CE2 3.21Å
9	E	88.1	Confident	81.4	Confident	104 Å²	104	48.2 Å²	48.2	49%	0.486	26%	0.263	S	S	.	.			trans	-75.4	106.4	176.6	-66.5	-169.7	160.7	0	0	110.3	T324 Y383 R384	E9-T324 WeakPolarHBondContact O-CB 3.33Å; E9-T324 PolarHBondContact O-N 3.4Å; E9-T324 PolarHBondContact O-OG1 3.11Å; E9-Y383 WeakPolarHBondContact CA-OH 3.26Å; E9-R384 IonicContact OE1-NH1 4Å; E9-R384 PolarHBondContact OE1-NH1 3.14Å
10	V	89.9	Confident	81.5	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.2	174.1	-173.6	0	0	0	0	110.2	E8 W321 P358 P359 L361 Y383	E8-V10 PolarHBondContact O-N 2.83Å; V10-W321 HydrophobicContact CG1-CB 3.89Å; V10-W321 HydrophobicContact CG1-CD2 4.45Å; V10-W321 HydrophobicContact CG1-CE3 3.89Å; V10-P358 HydrophobicContact CB-CB 4.33Å; V10-P359 HydrophobicContact CG1-CG 4.01Å; V10-L361 HydrophobicContact CG2-CB 4.4Å; V10-Y383 HydrophobicContact CB-CE2 4.23Å; V10-Y383 HydrophobicContact CG2-CE2 4.4Å; V10-Y383 PolarHBondContact N-OH 2.91Å; V10-Y383 VanDerWaalsContact N-OH 3.14Å; V10-Y383 PolarHBondContact O-OH 2.9Å
11	C	89.8	Confident	81.8	Confident	21 Å²	21	46.3 Å²	46.3	14%	0.142	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.1	173.7	68.1	0	0	0	0	110.7	C322	C11-C322 PolarHBondContact N-O 2.96Å; C11-C322 PolarHBondContact O-N 2.79Å; C11-C322 PolarHBondContact SG-O 3.37Å; C11-C322 VanDerWaalsContact SG-O 3.33Å
12	L	92.5	Very high	84.3	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126	169.4	-168.2	73.1	0	0	0	108.9	E319 W321 L352 C354	L12-E319 HydrophobicContact CD1-CB 4.47Å; L12-W321 HydrophobicContact CB-CE3 3.87Å; L12-W321 HydrophobicContact CB-CH2 4.08Å; L12-W321 HydrophobicContact CB-CZ3 3.6Å; L12-W321 HydrophobicContact CD1-CD2 3.71Å; L12-W321 HydrophobicContact CD1-CE3 3.88Å; L12-W321 HydrophobicContact CD1-CG 4.27Å; L12-W321 HydrophobicContact CD1-CH2 4.23Å; L12-W321 HydrophobicContact CD1-CZ2 4.06Å; L12-W321 HydrophobicContact CD1-CZ3 4.14Å; L12-W321 HydrophobicContact CG-CZ3 4.46Å; L12-L352 HydrophobicContact CD2-CB 4.32Å; L12-L352 PolarHBondContact O-N 2.85Å; L12-C354 WeakPolarHBondContact CB-SG 3.27Å; L12-C354 WeakPolarHBondContact CD2-SG 3.48Å
13	V	91.8	Very high	86.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.7	174.2	-89.2	0	0	0	0	110.1	A320 C322 L327 L330 Y349 N350 R351	V13-A320 WeakPolarHBondContact CG2-O 3.5Å; V13-A320 PolarHBondContact N-O 2.81Å; V13-A320 PolarHBondContact O-N 3.31Å; V13-C322 HydrophobicContact CG2-CB 3.65Å; V13-L327 HydrophobicContact CG1-CD2 3.86Å; V13-L330 HydrophobicContact CG2-CD2 4.07Å; V13-Y349 HydrophobicContact CG1-CD2 3.67Å; V13-Y349 HydrophobicContact CG1-CE2 4.36Å; V13-Y349 HydrophobicContact CG1-CG 4.42Å; V13-N350 CarbonylContact C-O 3.5Å; V13-N350 VanDerWaalsContact CA-O 3.31Å; V13-N350 WeakPolarHBondContact CA-O 3.18Å; V13-R351 HydrophobicContact CG1-CG 4.17Å
14	Q	92.5	Very high	87.9	Confident	37 Å²	37	31.2 Å²	31.2	17%	0.173	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.8	168.9	-178.4	176.8	54.5	0	0	108.6	F16 I317 A318 Y349 N350 L352	Q14-F16 HydrophobicContact CG-CE2 4.01Å; Q14-F16 HydrophobicContact CG-CZ 4.03Å; Q14-I317 HydrophobicContact CG-CG2 3.68Å; Q14-A318 CarbonylContact C-O 3.42Å; Q14-A318 WeakPolarHBondContact CA-O 3.49Å; Q14-Y349 CarbonylContact O-C 3.01Å; Q14-Y349 VanDerWaalsContact O-CA 3.25Å; Q14-Y349 WeakPolarHBondContact O-CA 3.46Å; Q14-N350 PolarHBondContact N-O 3.28Å; Q14-N350 PolarHBondContact O-N 3.39Å; Q14-L352 HydrophobicContact CB-CD1 3.24Å; Q14-L352 HydrophobicContact CG-CD1 4.33Å
15	L	91.6	Very high	88.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.2	-178.8	-55.5	174.5	0	0	0	109	L17 L29 F37 I317 A318 A320 L330 L334	L15-L17 HydrophobicContact CB-CG 4.39Å; L15-L29 HydrophobicContact CD1-CD1 4.13Å; L15-F37 HydrophobicContact CD1-CE1 3.98Å; L15-I317 WeakPolarHBondContact O-CA 3.39Å; L15-A318 HydrophobicContact CB-CB 4.22Å; L15-A318 HydrophobicContact CD1-CB 4.45Å; L15-A318 PolarHBondContact N-O 2.57Å; L15-A318 PolarHBondContact O-N 3.31Å; L15-A320 HydrophobicContact CD1-CB 4.28Å; L15-L330 HydrophobicContact CD2-CD2 4.29Å; L15-L334 HydrophobicContact CD2-CD1 4.02Å
16	F	90.6	Very high	89.1	Confident	51 Å²	51	26 Å²	26	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	103.7	170.5	-65.9	-85.5	0	0	0	108.5	Q14 I317 S347 F348 N350	Q14-F16 HydrophobicContact CG-CE2 4.01Å; Q14-F16 HydrophobicContact CG-CZ 4.03Å; F16-I317 HydrophobicContact CD1-CG1 4.04Å; F16-I317 HydrophobicContact CE1-CD1 4.07Å; F16-I317 HydrophobicContact CE1-CG1 3.99Å; F16-S347 WeakPolarHBondContact O-CA 3.5Å; F16-S347 WeakPolarHBondContact O-CB 3.25Å; F16-F348 HydrophobicContact CB-CD1 4.4Å; F16-F348 HydrophobicContact CB-CE1 4.05Å; F16-F348 HydrophobicContact CB-CE2 4.27Å; F16-F348 HydrophobicContact CB-CZ 3.97Å; F16-F348 AromaticContact CD2-CD2 3.91Å; F16-F348 HydrophobicContact CD2-CD2 3.91Å; F16-F348 AromaticContact CD2-CE2 3.34Å; F16-F348 HydrophobicContact CD2-CE2 3.34Å; F16-F348 AromaticContact CD2-CZ 3.72Å; F16-F348 HydrophobicContact CD2-CZ 3.72Å; F16-F348 AromaticContact CE2-CE2 3.88Å; F16-F348 HydrophobicContact CE2-CE2 3.88Å; F16-F348 HydrophobicContact CE2-CZ 4.39Å; F16-F348 HydrophobicContact CG-CE1 4.43Å; F16-F348 AromaticContact CG-CE2 3.96Å; F16-F348 HydrophobicContact CG-CE2 3.96Å; F16-F348 AromaticContact CG-CZ 3.85Å; F16-F348 HydrophobicContact CG-CZ 3.85Å; F16-F348 PolarHBondContact N-O 3.27Å; F16-N350 HydrophobicContact CE2-CB 4.27Å
17	L	90.3	Very high	89.3	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.7	-177.8	-58.9	174.3	0	0	0	109.1	L15 A22 C25 V26 C315 L316 L334	L15-L17 HydrophobicContact CB-CG 4.39Å; L17-A22 HydrophobicContact CB-CB 4.08Å; L17-C25 HydrophobicContact CD2-CB 3.77Å; L17-V26 HydrophobicContact CD1-CG2 4.03Å; L17-C315 CarbonylContact O-C 3.5Å; L17-C315 VanDerWaalsContact O-CA 3.29Å; L17-C315 WeakPolarHBondContact O-CA 3.33Å; L17-L316 HydrophobicContact CB-CB 4.35Å; L17-L316 PolarHBondContact N-O 3.42Å; L17-L316 PolarHBondContact O-N 3.33Å; L17-L334 HydrophobicContact CD2-CD2 3.85Å
18	Q	89.1	Confident	89.4	Confident	55 Å²	55	25.5 Å²	25.5	26%	0.257	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	142.2	173.1	-170	-179.8	4.1	0	0	110.2	G20 S21 A22 S343	Q18-G20 PolarHBondContact O-N 3.29Å; Q18-G20 VanDerWaalsContact O-N 3.12Å; Q18-S21 PolarHBondContact O-N 3.12Å; Q18-S21 PolarHBondContact O-OG 3.41Å; Q18-A22 WeakPolarHBondContact O-CB 3.44Å; Q18-A22 PolarHBondContact O-N 3.04Å; Q18-S343 PolarHBondContact OE1-OG 2.85Å
19	S	83.8	Confident	89.6	Confident	71 Å²	71	23.7 Å²	23.7	50%	0.497	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.9	-175.5	57.8	0	0	0	0	114.2	K314	S19-K314 PolarHBondContact N-O 3.49Å; S19-K314 PolarHBondContact OG-O 2.84Å
20	G	82.9	Confident	89.6	Confident	57 Å²	57	18.7 Å²	18.7	59%	0.588	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-22.8	177.2	0	0	0	0	0	115.4	Q18	Q18-G20 PolarHBondContact O-N 3.29Å; Q18-G20 VanDerWaalsContact O-N 3.12Å
21	S	87.8	Confident	89.5	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-13.3	-179.9	66.3	0	0	0	0	113.4	Q18 Y23 N24 C25 S341 S347	Q18-S21 PolarHBondContact O-N 3.12Å; Q18-S21 PolarHBondContact O-OG 3.41Å; S21-Y23 VanDerWaalsContact C-N 3.33Å; S21-Y23 PolarHBondContact O-N 2.9Å; S21-N24 PolarHBondContact O-N 2.87Å; S21-C25 PolarHBondContact O-N 3.23Å; S21-C25 PolarHBondContact O-SG 3.17Å; S21-C25 VanDerWaalsContact O-SG 3.41Å; S21-S341 VanDerWaalsContact CB-OG 3.27Å; S21-S341 WeakPolarHBondContact CB-OG 3.2Å; S21-S347 PolarHBondContact OG-OG 2.78Å
22	A	88.4	Confident	89.3	Confident	3 Å²	3	24.2 Å²	24.2	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-53.6	-44.8	-173	0	0	0	0	0	113.4	L17 Q18 N24 C25 V26 L304 L316	L17-A22 HydrophobicContact CB-CB 4.08Å; Q18-A22 WeakPolarHBondContact O-CB 3.44Å; Q18-A22 PolarHBondContact O-N 3.04Å; A22-N24 PolarHBondContact O-N 3.11Å; A22-C25 PolarHBondContact O-N 2.91Å; A22-V26 WeakPolarHBondContact O-CB 3.44Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.44Å; A22-V26 PolarHBondContact O-N 3.4Å; A22-L304 HydrophobicContact CB-CD2 3.95Å; A22-L316 HydrophobicContact CB-CD1 3.84Å
23	Y	90.4	Very high	89	Confident	22 Å²	22	24.6 Å²	24.6	9%	0.086	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-47.4	178	-172.3	-87	0	0	0	112	S21 V26 S27 P92 P94 C297 I300 L304	S21-Y23 VanDerWaalsContact C-N 3.33Å; S21-Y23 PolarHBondContact O-N 2.9Å; Y23-V26 PolarHBondContact O-N 3.32Å; Y23-S27 WeakPolarHBondContact O-CB 3.26Å; Y23-S27 PolarHBondContact O-N 3.31Å; Y23-P92 VanDerWaalsContact CE1-O 3.28Å; Y23-P92 WeakPolarHBondContact CE1-O 3.23Å; Y23-P92 PolarHBondContact OH-O 3.46Å; Y23-P94 HydrophobicContact CD1-CG 4.39Å; Y23-P94 HydrophobicContact CD2-CG 4.27Å; Y23-P94 HydrophobicContact CE1-CG 4.49Å; Y23-P94 HydrophobicContact CE2-CG 4.34Å; Y23-P94 HydrophobicContact CG-CG 4.3Å; Y23-C297 PolarHBondContact OH-SG 2.66Å; Y23-I300 HydrophobicContact CD2-CG2 3.6Å; Y23-I300 HydrophobicContact CE1-CD1 4.13Å; Y23-I300 HydrophobicContact CE2-CB 4.17Å; Y23-I300 HydrophobicContact CE2-CD1 4.29Å; Y23-I300 HydrophobicContact CE2-CG2 3.63Å; Y23-I300 HydrophobicContact CG-CG2 4.2Å; Y23-L304 HydrophobicContact CD2-CD1 4.27Å
24	N	89.7	Confident	88.7	Confident	12 Å²	12	25.6 Å²	25.6	6%	0.064	15%	0.149	C	C	.	.	H	α-helix	trans	-68.9	-41.4	-179.5	-68.7	-25.2	0	0	0	111.7	S21 A22 S27 E28 Q93 G337 S341	S21-N24 PolarHBondContact O-N 2.87Å; A22-N24 PolarHBondContact O-N 3.11Å; N24-S27 WeakPolarHBondContact O-CB 3.37Å; N24-S27 PolarHBondContact O-N 3.21Å; N24-E28 WeakPolarHBondContact O-CG 3.15Å; N24-E28 PolarHBondContact O-N 3.28Å; N24-Q93 PolarHBondContact OD1-NE2 3.39Å; N24-Q93 PolarHBondContact OD1-OE1 3.2Å; N24-G337 WeakPolarHBondContact CB-O 3.48Å; N24-S341 WeakPolarHBondContact ND2-CA 3.2Å; N24-S341 WeakPolarHBondContact ND2-CB 3.41Å
25	C	89.9	Confident	88.6	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-49.1	175.1	-67.9	0	0	0	0	111	L17 S21 A22 S27 E28 L29 L334	L17-C25 HydrophobicContact CD2-CB 3.77Å; S21-C25 PolarHBondContact O-N 3.23Å; S21-C25 PolarHBondContact O-SG 3.17Å; S21-C25 VanDerWaalsContact O-SG 3.41Å; A22-C25 PolarHBondContact O-N 2.91Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 3.38Å; C25-E28 PolarHBondContact O-N 2.94Å; C25-L29 VanDerWaalsContact O-CG 3.23Å; C25-L29 WeakPolarHBondContact O-CG 3.22Å; C25-L29 PolarHBondContact O-N 2.88Å; C25-L334 HydrophobicContact CB-CD2 4.16Å
26	V	91.2	Very high	88.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-34.6	178.3	175.4	0	0	0	0	111.6	L17 A22 Y23 L29 G30 I300 V303 L304 F812	L17-V26 HydrophobicContact CD1-CG2 4.03Å; A22-V26 WeakPolarHBondContact O-CB 3.44Å; A22-V26 VanDerWaalsContact O-CG2 3.28Å; A22-V26 WeakPolarHBondContact O-CG2 3.44Å; A22-V26 PolarHBondContact O-N 3.4Å; Y23-V26 PolarHBondContact O-N 3.32Å; V26-L29 PolarHBondContact O-N 2.99Å; V26-G30 PolarHBondContact O-N 2.89Å; V26-I300 HydrophobicContact CB-CG2 4.11Å; V26-I300 HydrophobicContact CG1-CB 4.33Å; V26-I300 HydrophobicContact CG1-CG1 4.34Å; V26-I300 HydrophobicContact CG1-CG2 3.87Å; V26-V303 HydrophobicContact CG1-CB 3.95Å; V26-V303 HydrophobicContact CG1-CG1 3.69Å; V26-V303 HydrophobicContact CG2-CG1 4.33Å; V26-L304 HydrophobicContact CG2-CD2 3.9Å; V26-F812 HydrophobicContact CG1-CE1 4.08Å
27	S	91.1	Very high	88.6	Confident	11 Å²	11	24.2 Å²	24.2	8%	0.077	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-50.3	172	-178.6	0	0	0	0	112	Y23 N24 C25 L29 G30 E31 A91 F814	Y23-S27 WeakPolarHBondContact O-CB 3.26Å; Y23-S27 PolarHBondContact O-N 3.31Å; N24-S27 WeakPolarHBondContact O-CB 3.37Å; N24-S27 PolarHBondContact O-N 3.21Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 3.38Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 2.83Å; S27-G30 PolarHBondContact O-N 3.07Å; S27-E31 PolarHBondContact O-N 3.24Å; S27-A91 VanDerWaalsContact OG-CB 3.29Å; S27-A91 WeakPolarHBondContact OG-CB 3.34Å; S27-F814 WeakPolarHBondContact O-CE2 3.45Å
28	E	89.6	Confident	88.6	Confident	39 Å²	39	29 Å²	29	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-37.4	177.6	-63.8	-55.1	134.6	0	0	111.9	N24 C25 G30 E31 L32 A333 K340	N24-E28 WeakPolarHBondContact O-CG 3.15Å; N24-E28 PolarHBondContact O-N 3.28Å; C25-E28 PolarHBondContact O-N 2.94Å; E28-G30 VanDerWaalsContact C-N 3.31Å; E28-G30 PolarHBondContact O-N 3.41Å; E28-E31 PolarHBondContact O-N 3Å; E28-L32 PolarHBondContact O-N 2.92Å; E28-A333 HydrophobicContact CB-CB 4.03Å; E28-K340 IonicContact OE1-NZ 2.95Å; E28-K340 PolarHBondContact OE1-NZ 3.35Å; E28-K340 IonicContact OE2-NZ 2.64Å
29	L	89.7	Confident	88.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-37.6	174.9	-67	176.7	0	0	0	112.2	L15 C25 V26 S27 L32 G33 V35 F37 L330 A333 L334	L15-L29 HydrophobicContact CD1-CD1 4.13Å; C25-L29 VanDerWaalsContact O-CG 3.23Å; C25-L29 WeakPolarHBondContact O-CG 3.22Å; C25-L29 PolarHBondContact O-N 2.88Å; V26-L29 PolarHBondContact O-N 2.99Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 2.83Å; L29-L32 PolarHBondContact O-N 2.83Å; L29-G33 PolarHBondContact O-N 2.99Å; L29-V35 HydrophobicContact CD2-CG2 4.45Å; L29-F37 HydrophobicContact CD1-CZ 3.99Å; L29-L330 HydrophobicContact CD2-CD1 3.26Å; L29-A333 HydrophobicContact CD2-CB 4.43Å; L29-L334 HydrophobicContact CD1-CD2 4.17Å
30	G	88.6	Confident	88.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-31.3	175.9	0	0	0	0	0	114.1	V26 S27 E28 F812 S813 F814	V26-G30 PolarHBondContact O-N 2.89Å; S27-G30 PolarHBondContact O-N 3.07Å; E28-G30 VanDerWaalsContact C-N 3.31Å; E28-G30 PolarHBondContact O-N 3.41Å; G30-F812 VanDerWaalsContact CA-CE1 3.45Å; G30-S813 WeakPolarHBondContact O-CA 3.35Å; G30-F814 WeakPolarHBondContact O-CD2 3.49Å; G30-F814 PolarHBondContact O-N 2.75Å
31	E	88	Confident	89.1	Confident	76 Å²	76	26.6 Å²	26.6	36%	0.355	13%	0.131	S	C	.	.	H	α-helix	trans	-70.8	-37.6	171.4	-65.4	-64.1	170.6	0	0	111.4	S27 E28 K296 F814	S27-E31 PolarHBondContact O-N 3.24Å; E28-E31 PolarHBondContact O-N 3Å; E31-K296 IonicContact OE1-NZ 3.92Å; E31-K296 PolarHBondContact OE1-NZ 3.23Å; E31-K296 IonicContact OE2-NZ 3.62Å; E31-F814 HydrophobicContact CG-CD2 3.97Å; E31-F814 HydrophobicContact CG-CE2 3.99Å; E31-F814 WeakPolarHBondContact OE1-CD2 3.48Å
32	L	86.3	Confident	89	Confident	69 Å²	69	31.1 Å²	31.1	36%	0.361	16%	0.16	S	C	.	.	H	α-helix	trans	-68	-41.2	175.6	-79.8	-178.8	0	0	0	113.2	E28 L29 L34 A333	E28-L32 PolarHBondContact O-N 2.92Å; L29-L32 PolarHBondContact O-N 2.83Å; L32-L34 HydrophobicContact CB-CD1 4.31Å; L32-L34 HydrophobicContact CB-CG 4.22Å; L32-L34 HydrophobicContact CD1-CD1 4.46Å; L32-A333 HydrophobicContact CD1-CB 3.31Å; L32-A333 HydrophobicContact CG-CB 4.27Å
33	G	85.8	Confident	89	Confident	13 Å²	13	38.5 Å²	38.5	13%	0.134	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	39.8	175.9	0	0	0	0	0	115	L29 P811 F812	L29-G33 PolarHBondContact O-N 2.99Å; G33-P811 VanDerWaalsContact O-CB 3.24Å; G33-P811 WeakPolarHBondContact O-CB 3.47Å; G33-F812 VanDerWaalsContact CA-O 3.31Å; G33-F812 WeakPolarHBondContact CA-O 3.39Å
34	L	85.3	Confident	88.9	Confident	20 Å²	20	40 Å²	40	11%	0.105	21%	0.211	C	C	.	.			trans	-116.9	-13.4	-171.6	-62.2	179.5	0	0	0	115.3	L32 K326 E329	L32-L34 HydrophobicContact CB-CD1 4.31Å; L32-L34 HydrophobicContact CB-CG 4.22Å; L32-L34 HydrophobicContact CD1-CD1 4.46Å; L34-K326 HydrophobicContact CD1-CB 4.07Å; L34-K326 HydrophobicContact CD1-CD 3.86Å; L34-K326 HydrophobicContact CD2-CD 3.47Å; L34-K326 VanDerWaalsContact CD2-CD 3.47Å; L34-K326 VanDerWaalsContact CD2-NZ 3.35Å; L34-K326 HydrophobicContact CG-CD 4.25Å; L34-E329 HydrophobicContact CD1-CB 4.33Å; L34-E329 WeakPolarHBondContact CD1-OE2 3.28Å
35	V	89.9	Confident	88.9	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.018	24%	0.235	C	C	.	.			trans	-120.6	133.9	-162.8	-178.5	0	0	0	0	109.8	L29 F37 A320 W321 L330 F812	L29-V35 HydrophobicContact CD2-CG2 4.45Å; V35-F37 HydrophobicContact CG1-CE2 4.31Å; V35-F37 HydrophobicContact CG1-CZ 4.34Å; V35-A320 HydrophobicContact CG1-CB 3.13Å; V35-W321 WeakPolarHBondContact CA-O 3.4Å; V35-L330 HydrophobicContact CG2-CD1 3.59Å; V35-F812 WeakPolarHBondContact O-CB 3.44Å; V35-F812 PolarHBondContact O-N 2.92Å
36	E	91.7	Very high	88.5	Confident	34 Å²	34	47.8 Å²	47.8	16%	0.159	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.3	171	-179.8	168.4	-154.4	0	0	109.3	A320 W321 L809 S810	E36-A320 CarbonylContact O-C 3.52Å; E36-A320 WeakPolarHBondContact O-CA 3.36Å; E36-W321 HydrophobicContact CB-CB 4.39Å; E36-W321 PolarHBondContact N-O 3.21Å; E36-W321 VanDerWaalsContact N-O 3.14Å; E36-W321 PolarHBondContact O-N 3.13Å; E36-L809 HydrophobicContact CB-CD1 3.76Å; E36-L809 WeakPolarHBondContact OE2-CA 3.25Å; E36-L809 VanDerWaalsContact OE2-CD1 3.3Å; E36-L809 WeakPolarHBondContact OE2-CD1 3.41Å; E36-S810 WeakPolarHBondContact CG-O 3.49Å; E36-S810 PolarHBondContact OE1-OG 3.38Å; E36-S810 PolarHBondContact OE2-N 3.36Å
37	F	91.9	Very high	88.2	Confident	23 Å²	23	56.6 Å²	56.6	10%	0.101	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.3	-177.8	-69.1	-88.3	0	0	0	111.1	L15 L29 V35 V303 L306 A318 A320 F812	L15-F37 HydrophobicContact CD1-CE1 3.98Å; L29-F37 HydrophobicContact CD1-CZ 3.99Å; V35-F37 HydrophobicContact CG1-CE2 4.31Å; V35-F37 HydrophobicContact CG1-CZ 4.34Å; F37-V303 HydrophobicContact CD1-CG1 3.92Å; F37-V303 HydrophobicContact CD2-CB 4.48Å; F37-V303 HydrophobicContact CD2-CG1 3.52Å; F37-V303 HydrophobicContact CD2-CG2 4.1Å; F37-V303 HydrophobicContact CE1-CG1 3.85Å; F37-V303 HydrophobicContact CE2-CG1 3.46Å; F37-V303 VanDerWaalsContact CE2-CG1 3.46Å; F37-V303 HydrophobicContact CE2-CG2 4.34Å; F37-V303 HydrophobicContact CG-CG1 3.75Å; F37-V303 HydrophobicContact CZ-CG1 3.62Å; F37-L306 HydrophobicContact CB-CD1 4.03Å; F37-A318 HydrophobicContact CD1-CB 4.08Å; F37-A318 HydrophobicContact CE1-CB 4.09Å; F37-A320 HydrophobicContact CD1-CB 4.11Å; F37-A320 HydrophobicContact CE1-CB 4.42Å; F37-F812 HydrophobicContact CD2-CB 4.15Å; F37-F812 HydrophobicContact CD2-CG 4.44Å; F37-F812 HydrophobicContact CE2-CB 4.18Å; F37-F812 HydrophobicContact CE2-CD1 4.03Å; F37-F812 HydrophobicContact CE2-CG 4.27Å
38	R	90.3	Very high	88	Confident	100 Å²	100	62.9 Å²	62.9	38%	0.377	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.6	171.3	-163.8	172.1	85.8	164.8	6	109.7	L40 E319	R38-L40 PolarHBondContact O-N 2.88Å; R38-E319 HydrophobicContact CB-CB 4.26Å; R38-E319 IonicContact CZ-OE2 4Å; R38-E319 PolarHBondContact N-O 3.25Å; R38-E319 IonicContact NE-OE2 3.44Å; R38-E319 PolarHBondContact NE-OE2 3.48Å; R38-E319 IonicContact NH2-OE1 2.77Å; R38-E319 IonicContact NH2-OE2 3.84Å; R38-E319 PolarHBondContact NH2-OE2 3.47Å
39	D	90.3	Very high	87.8	Confident	57 Å²	57	63.5 Å²	63.5	31%	0.305	33%	0.329	S	S	.	.			trans	-72.7	113.2	171.1	-162.6	-13.7	0	0	0	109.8	N41 R49 L306	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 WeakPolarHBondContact OD1-CA 3.43Å; D39-N41 PolarHBondContact OD1-N 3.38Å; D39-R49 IonicContact OD1-NH1 3.08Å; D39-R49 IonicContact OD1-NH2 3.24Å; D39-R49 IonicContact OD2-CZ 2.92Å; D39-R49 IonicContact OD2-NH1 2.98Å; D39-R49 IonicContact OD2-NH2 2.61Å; D39-R49 PolarHBondContact OD2-NH2 3.4Å; D39-L306 HydrophobicContact CB-CD2 3.8Å
40	L	88.4	Confident	87.6	Confident	42 Å²	42	69.1 Å²	69.1	22%	0.22	35%	0.354	C	S	.	.	S	Bend	trans	-83.8	-12.4	174.6	-78.4	154.3	0	0	0	112.5	R38 P42 L306 I317 E319	R38-L40 PolarHBondContact O-N 2.88Å; L40-P42 WeakPolarHBondContact O-CD 3.45Å; L40-L306 PolarHBondContact N-O 3.39Å; L40-I317 VanDerWaalsContact CD1-O 3.26Å; L40-I317 WeakPolarHBondContact CD1-O 3.42Å; L40-E319 HydrophobicContact CD1-CB 4.42Å; L40-E319 HydrophobicContact CD1-CG 4.35Å; L40-E319 HydrophobicContact CD2-CB 4.47Å; L40-E319 HydrophobicContact CD2-CG 3.98Å; L40-E319 HydrophobicContact CG-CB 4.48Å; L40-E319 HydrophobicContact CG-CG 4.46Å
41	N	87.2	Confident	87.5	Confident	33 Å²	33	71.1 Å²	71.1	18%	0.176	36%	0.362	C	S	.	.			trans	-122.3	54.6	-173.5	-54.2	-50.2	0	0	0	112.3	D39 N43 V44 R49 C307	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 WeakPolarHBondContact OD1-CA 3.43Å; D39-N41 PolarHBondContact OD1-N 3.38Å; N41-N43 VanDerWaalsContact C-N 3.27Å; N41-N43 PolarHBondContact O-N 3.48Å; N41-V44 HydrophobicContact CB-CB 4.21Å; N41-V44 HydrophobicContact CB-CG2 4.18Å; N41-V44 PolarHBondContact O-N 3.27Å; N41-R49 PolarHBondContact O-NH2 2.7Å; N41-C307 PolarHBondContact ND2-O 3.46Å
42	P	86.2	Confident	87.6	Confident	95 Å²	95	69.4 Å²	69.4	62%	0.617	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-29	-177.5	28.2	-35.3	0	0	0	112.9	L40 V44	L40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-V44 VanDerWaalsContact C-N 3.3Å; P42-V44 PolarHBondContact O-N 3.04Å
43	N	88.3	Confident	87.8	Confident	158 Å²	158	70.2 Å²	70.2	85%	0.845	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.9	-177.7	-61.7	-21.3	0	0	0	113.2	N41	N41-N43 VanDerWaalsContact C-N 3.27Å; N41-N43 PolarHBondContact O-N 3.48Å
44	V	88.4	Confident	87.9	Confident	53 Å²	53	72.3 Å²	72.3	32%	0.321	38%	0.375	S	S	.	.	S	Bend	trans	-102.6	123.9	-177.3	-177.4	0	0	0	0	109.6	N41 P42 Q48 R49	N41-V44 HydrophobicContact CB-CB 4.21Å; N41-V44 HydrophobicContact CB-CG2 4.18Å; N41-V44 PolarHBondContact O-N 3.27Å; P42-V44 VanDerWaalsContact C-N 3.3Å; P42-V44 PolarHBondContact O-N 3.04Å; V44-Q48 HydrophobicContact CG1-CB 3.73Å; V44-R49 HydrophobicContact CG1-CG 4.32Å
45	N	88.1	Confident	88.1	Confident	109 Å²	109	72 Å²	72	58%	0.583	37%	0.374	S	S	*	.			trans	-59.3	146.3	176.8	-75.5	-23.6	0	0	0	111.3	F47 Q48	N45-F47 PolarHBondContact O-N 2.92Å; N45-Q48 PolarHBondContact O-N 3.05Å
46	A	82.4	Confident	88.1	Confident	67 Å²	67	79.3 Å²	79.3	55%	0.554	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-51.2	-37.9	-177.6	0	0	0	0	0	113.3	Q48 R49 V52	A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.46Å; A46-R49 PolarHBondContact O-N 2.96Å; A46-V52 WeakPolarHBondContact O-CG2 3.49Å
47	F	84.9	Confident	88.1	Confident	186 Å²	186	80.4 Å²	80.4	82%	0.816	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21.6	-179.5	-62.7	-74.7	0	0	0	115.4	N45 R49	N45-F47 PolarHBondContact O-N 2.92Å; F47-R49 VanDerWaalsContact C-N 3.34Å
48	Q	86.3	Confident	88	Confident	142 Å²	142	79.3 Å²	79.3	66%	0.664	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-89.7	-4.7	-177.5	-68.5	173.9	-15.1	0	0	112.3	V44 N45 A46	V44-Q48 HydrophobicContact CG1-CB 3.73Å; N45-Q48 PolarHBondContact O-N 3.05Å; A46-Q48 VanDerWaalsContact C-N 3.34Å; A46-Q48 PolarHBondContact O-N 3.46Å
49	R	86.6	Confident	88	Confident	53 Å²	53	78.3 Å²	78.3	20%	0.2	40%	0.398	C	S	.	.	S	Bend	trans	-72	150.4	179.5	-60	-176.1	177.9	-162	-2.6	111	D39 N41 V44 A46 F47 F51 V52 N305	D39-R49 IonicContact OD1-NH1 3.08Å; D39-R49 IonicContact OD1-NH2 3.24Å; D39-R49 IonicContact OD2-CZ 2.92Å; D39-R49 IonicContact OD2-NH1 2.98Å; D39-R49 IonicContact OD2-NH2 2.61Å; D39-R49 PolarHBondContact OD2-NH2 3.4Å; N41-R49 PolarHBondContact O-NH2 2.7Å; V44-R49 HydrophobicContact CG1-CG 4.32Å; A46-R49 PolarHBondContact O-N 2.96Å; F47-R49 VanDerWaalsContact C-N 3.34Å; R49-F51 PolarHBondContact O-N 2.86Å; R49-V52 HydrophobicContact CB-CG2 3.81Å; R49-V52 WeakPolarHBondContact O-CG2 3.31Å; R49-N305 HydrophobicContact CB-CB 4.39Å
50	K	84.7	Confident	88	Confident	118 Å²	118	79.5 Å²	79.5	51%	0.513	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.1	-169.2	-170.7	171.1	-175.4	168.8	0	114.1	D313	K50-D313 IonicContact NZ-OD1 3.19Å; K50-D313 PolarHBondContact NZ-OD1 3.28Å
51	F	87	Confident	88.1	Confident	43 Å²	43	77.7 Å²	77.7	19%	0.189	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	21.7	-172.6	-56.6	-84.6	0	0	0	113.8	R49 S53 E54 V55 L304 N305 L316	R49-F51 PolarHBondContact O-N 2.86Å; F51-S53 PolarHBondContact O-N 3.28Å; F51-E54 PolarHBondContact O-N 3.14Å; F51-V55 WeakPolarHBondContact O-CG2 3.28Å; F51-V55 PolarHBondContact O-N 3.42Å; F51-L304 HydrophobicContact CD2-CB 3.72Å; F51-L304 HydrophobicContact CE2-CB 3.81Å; F51-L304 HydrophobicContact CG-CB 4.24Å; F51-L304 HydrophobicContact CZ-CB 4.39Å; F51-N305 WeakPolarHBondContact CA-OD1 3.33Å; F51-N305 VanDerWaalsContact CB-OD1 3.27Å; F51-N305 WeakPolarHBondContact CB-OD1 3.24Å; F51-N305 PolarHBondContact N-OD1 3.49Å; F51-L316 HydrophobicContact CE2-CD1 4.24Å; F51-L316 HydrophobicContact CZ-CD1 4.17Å
52	V	90.3	Very high	88.2	Confident	40 Å²	40	78.6 Å²	78.6	24%	0.242	40%	0.396	C	S	.	.	H	α-helix	trans	-66.5	-37.1	-177.7	174.5	0	0	0	0	112.7	A46 R49 E54 V55 R56	A46-V52 WeakPolarHBondContact O-CG2 3.49Å; R49-V52 HydrophobicContact CB-CG2 3.81Å; R49-V52 WeakPolarHBondContact O-CG2 3.31Å; V52-E54 VanDerWaalsContact C-N 3.28Å; V52-E54 PolarHBondContact O-N 3.01Å; V52-V55 PolarHBondContact O-N 3.49Å; V52-R56 PolarHBondContact O-N 2.9Å
53	S	89.9	Confident	88.4	Confident	86 Å²	86	80.9 Å²	80.9	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-40.1	177.8	52.1	0	0	0	0	111.8	F51 R56 R57	F51-S53 PolarHBondContact O-N 3.28Å; S53-R56 PolarHBondContact O-N 3.33Å; S53-R57 PolarHBondContact O-N 3.4Å
54	E	87.4	Confident	88.5	Confident	57 Å²	57	74.9 Å²	74.9	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-70.7	-39.5	177.5	-67.5	-136.7	-165.4	0	0	112.5	F51 V52 R56 R57 C58 Q301	F51-E54 PolarHBondContact O-N 3.14Å; V52-E54 VanDerWaalsContact C-N 3.28Å; V52-E54 PolarHBondContact O-N 3.01Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3Å; E54-R57 WeakPolarHBondContact O-CB 3.46Å; E54-R57 PolarHBondContact O-N 3.11Å; E54-C58 PolarHBondContact O-N 3.47Å; E54-C58 PolarHBondContact O-SG 3.43Å; E54-Q301 HydrophobicContact CB-CG 4.04Å; E54-Q301 PolarHBondContact OE2-NE2 3.47Å
55	V	89.9	Confident	88.6	Confident	13 Å²	13	72.7 Å²	72.7	8%	0.079	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-44.8	173.8	175.7	0	0	0	0	110.6	F51 V52 R57 C58 E59 Q301 L302	F51-V55 WeakPolarHBondContact O-CG2 3.28Å; F51-V55 PolarHBondContact O-N 3.42Å; V52-V55 PolarHBondContact O-N 3.49Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 2.96Å; V55-C58 WeakPolarHBondContact O-CB 3.47Å; V55-C58 PolarHBondContact O-N 3.31Å; V55-E59 WeakPolarHBondContact O-CG 3.5Å; V55-E59 PolarHBondContact O-N 2.81Å; V55-Q301 HydrophobicContact CG2-CB 3.8Å; V55-L302 HydrophobicContact CG1-CD2 4.13Å; V55-L302 HydrophobicContact CG2-CD2 4.12Å; V55-L302 HydrophobicContact CG2-CG 4.36Å
56	R	90.6	Very high	88.6	Confident	156 Å²	156	70.4 Å²	70.4	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-39.9	177.3	-178.2	177.7	170.7	169	1.8	112.3	V52 S53 E54 E59 E60	V52-R56 PolarHBondContact O-N 2.9Å; S53-R56 PolarHBondContact O-N 3.33Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3Å; R56-E59 WeakPolarHBondContact O-CB 3.48Å; R56-E59 PolarHBondContact O-N 2.99Å; R56-E60 IonicContact CZ-OE1 3.47Å; R56-E60 IonicContact NE-OE1 3.38Å; R56-E60 PolarHBondContact NE-OE1 3.01Å; R56-E60 IonicContact NH2-OE1 2.71Å; R56-E60 WeakPolarHBondContact O-CG 3.41Å; R56-E60 PolarHBondContact O-N 3.47Å
57	R	90.7	Very high	88.9	Confident	58 Å²	58	70.4 Å²	70.4	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-43.9	175	-169.6	-178.5	-178	-170.9	2.9	111.7	S53 E54 V55 E59 E60 L61 E101	S53-R57 PolarHBondContact O-N 3.4Å; E54-R57 WeakPolarHBondContact O-CB 3.46Å; E54-R57 PolarHBondContact O-N 3.11Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 2.96Å; R57-E59 VanDerWaalsContact C-N 3.33Å; R57-E59 PolarHBondContact O-N 3.15Å; R57-E60 PolarHBondContact O-N 2.87Å; R57-L61 WeakPolarHBondContact O-CG 3.41Å; R57-L61 PolarHBondContact O-N 2.82Å; R57-E101 VanDerWaalsContact CG-OE1 3.29Å; R57-E101 WeakPolarHBondContact CG-OE1 3.13Å; R57-E101 IonicContact CZ-OE1 3.24Å; R57-E101 IonicContact CZ-OE2 3.49Å; R57-E101 VanDerWaalsContact CZ-OE2 3.24Å; R57-E101 VanDerWaalsContact NE-CD 3.34Å; R57-E101 IonicContact NE-OE1 3.62Å; R57-E101 PolarHBondContact NE-OE1 3.44Å; R57-E101 IonicContact NE-OE2 3.93Å; R57-E101 PolarHBondContact NE-OE2 3.44Å; R57-E101 VanDerWaalsContact NE-OE2 3.08Å; R57-E101 IonicContact NH2-OE1 2.74Å; R57-E101 IonicContact NH2-OE2 3.86Å; R57-E101 PolarHBondContact NH2-OE2 3.01Å
58	C	90.1	Very high	89	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-38.1	173.9	-69	0	0	0	0	112.5	E54 V55 L61 E62 V294 K298	E54-C58 PolarHBondContact O-N 3.47Å; E54-C58 PolarHBondContact O-SG 3.43Å; V55-C58 WeakPolarHBondContact O-CB 3.47Å; V55-C58 PolarHBondContact O-N 3.31Å; C58-L61 PolarHBondContact O-N 2.81Å; C58-E62 WeakPolarHBondContact O-CG 3.47Å; C58-E62 PolarHBondContact O-N 3.48Å; C58-V294 HydrophobicContact CB-CG1 4Å; C58-K298 HydrophobicContact CB-CB 3.92Å; C58-K298 HydrophobicContact CB-CG 4.22Å
59	E	90.4	Very high	89	Confident	78 Å²	78	57.7 Å²	57.7	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-67.9	-36.1	175.6	-71.5	178.4	172.3	0	0	113.1	V55 R56 R57 E62 K63 K298	V55-E59 WeakPolarHBondContact O-CG 3.5Å; V55-E59 PolarHBondContact O-N 2.81Å; R56-E59 WeakPolarHBondContact O-CB 3.48Å; R56-E59 PolarHBondContact O-N 2.99Å; R57-E59 VanDerWaalsContact C-N 3.33Å; R57-E59 PolarHBondContact O-N 3.15Å; E59-E62 PolarHBondContact O-N 2.93Å; E59-K63 WeakPolarHBondContact O-CG 3.4Å; E59-K63 PolarHBondContact O-N 2.94Å; E59-K63 VanDerWaalsContact O-N 3.07Å; E59-K298 IonicContact OE1-NZ 2.75Å
60	E	90.8	Very high	89	Confident	83 Å²	83	61.5 Å²	61.5	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-41.7	173.7	-73.7	172.4	-173.5	0	0	110.6	R56 R57 K63 T64	R56-E60 IonicContact CZ-OE1 3.47Å; R56-E60 IonicContact NE-OE1 3.38Å; R56-E60 PolarHBondContact NE-OE1 3.01Å; R56-E60 IonicContact NH2-OE1 2.71Å; R56-E60 WeakPolarHBondContact O-CG 3.41Å; R56-E60 PolarHBondContact O-N 3.47Å; R57-E60 PolarHBondContact O-N 2.87Å; E60-K63 WeakPolarHBondContact O-CB 3.36Å; E60-K63 PolarHBondContact O-N 3.33Å; E60-T64 WeakPolarHBondContact O-CG2 3.41Å; E60-T64 PolarHBondContact O-N 2.63Å; E60-T64 VanDerWaalsContact O-N 3.09Å
61	L	90.4	Very high	88.9	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-44.7	171.7	-72.4	167.8	0	0	0	112.6	R57 C58 K63 T64 F65 L97 E101 S104 V294	R57-L61 WeakPolarHBondContact O-CG 3.41Å; R57-L61 PolarHBondContact O-N 2.82Å; C58-L61 PolarHBondContact O-N 2.81Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.31Å; L61-T64 PolarHBondContact O-N 2.74Å; L61-T64 PolarHBondContact O-OG1 2.84Å; L61-F65 HydrophobicContact CB-CE2 4.42Å; L61-F65 HydrophobicContact CB-CZ 4.35Å; L61-F65 VanDerWaalsContact O-CG 3.32Å; L61-F65 WeakPolarHBondContact O-CG 3.5Å; L61-F65 PolarHBondContact O-N 3.48Å; L61-L97 HydrophobicContact CD1-CD1 3.77Å; L61-L97 HydrophobicContact CD1-CG 4.31Å; L61-E101 HydrophobicContact CD1-CB 4.42Å; L61-E101 HydrophobicContact CD2-CB 3.83Å; L61-E101 HydrophobicContact CD2-CG 3.99Å; L61-S104 WeakPolarHBondContact CD2-OG 3.29Å; L61-V294 HydrophobicContact CB-CG1 4.18Å; L61-V294 HydrophobicContact CD1-CG2 4.19Å
62	E	89.8	Confident	88.7	Confident	53 Å²	53	55 Å²	55	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-39.8	175.2	-75.9	175.9	165.9	0	0	111.8	C58 E59 F65 S66 V294 K298	C58-E62 WeakPolarHBondContact O-CG 3.47Å; C58-E62 PolarHBondContact O-N 3.48Å; E59-E62 PolarHBondContact O-N 2.93Å; E62-F65 PolarHBondContact O-N 2.92Å; E62-S66 PolarHBondContact O-N 3.33Å; E62-S66 PolarHBondContact O-OG 3.33Å; E62-V294 HydrophobicContact CG-CG1 4.28Å; E62-K298 WeakPolarHBondContact OE1-CD 3.42Å; E62-K298 IonicContact OE1-NZ 3.53Å; E62-K298 IonicContact OE2-NZ 3.59Å; E62-K298 PolarHBondContact OE2-NZ 3.49Å
63	K	90.6	Very high	88.3	Confident	142 Å²	142	58.2 Å²	58.2	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-63.1	-41.4	174.2	-69.3	169.5	-173.3	169.3	0	112.2	E59 E60 L61 F65 S66 F67	E59-K63 WeakPolarHBondContact O-CG 3.4Å; E59-K63 PolarHBondContact O-N 2.94Å; E59-K63 VanDerWaalsContact O-N 3.07Å; E60-K63 WeakPolarHBondContact O-CB 3.36Å; E60-K63 PolarHBondContact O-N 3.33Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.31Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.46Å; K63-S66 PolarHBondContact O-N 3.5Å; K63-F67 PolarHBondContact O-N 2.99Å; K63-F67 VanDerWaalsContact O-N 3.07Å
64	T	89.4	Confident	87.9	Confident	32 Å²	32	61.6 Å²	61.6	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-38.2	175.2	68.5	0	0	0	0	111.6	E60 L61 F67 L68	E60-T64 WeakPolarHBondContact O-CG2 3.41Å; E60-T64 PolarHBondContact O-N 2.63Å; E60-T64 VanDerWaalsContact O-N 3.09Å; L61-T64 PolarHBondContact O-N 2.74Å; L61-T64 PolarHBondContact O-OG1 2.84Å; T64-F67 WeakPolarHBondContact O-CB 3.27Å; T64-F67 PolarHBondContact O-N 3.12Å; T64-L68 WeakPolarHBondContact O-CG 2.92Å; T64-L68 PolarHBondContact O-N 2.96Å
65	F	89.9	Confident	87.2	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-41.3	176.5	-62.1	-18.8	0	0	0	112.3	L61 E62 K63 F67 L68 E69 I100 L287 W290 V294	L61-F65 HydrophobicContact CB-CE2 4.42Å; L61-F65 HydrophobicContact CB-CZ 4.35Å; L61-F65 VanDerWaalsContact O-CG 3.32Å; L61-F65 WeakPolarHBondContact O-CG 3.5Å; L61-F65 PolarHBondContact O-N 3.48Å; E62-F65 PolarHBondContact O-N 2.92Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.46Å; F65-F67 VanDerWaalsContact C-N 3.28Å; F65-F67 PolarHBondContact O-N 3.34Å; F65-L68 HydrophobicContact CD1-CD1 4.43Å; F65-L68 PolarHBondContact O-N 3.24Å; F65-E69 WeakPolarHBondContact O-CB 3.4Å; F65-E69 PolarHBondContact O-N 2.91Å; F65-I100 HydrophobicContact CZ-CG2 4.21Å; F65-L287 HydrophobicContact CB-CD1 3.81Å; F65-L287 HydrophobicContact CD1-CD1 3.89Å; F65-L287 HydrophobicContact CG-CD1 3.93Å; F65-W290 HydrophobicContact CE1-CB 4.09Å; F65-W290 HydrophobicContact CE1-CE3 4.05Å; F65-W290 HydrophobicContact CE2-CB 4.09Å; F65-W290 HydrophobicContact CZ-CB 3.65Å; F65-W290 HydrophobicContact CZ-CG 4.46Å; F65-V294 HydrophobicContact CE2-CB 3.92Å; F65-V294 HydrophobicContact CE2-CG1 4.39Å; F65-V294 HydrophobicContact CE2-CG2 3.61Å; F65-V294 HydrophobicContact CZ-CG2 3.88Å
66	S	88.3	Confident	86.4	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-38.6	173.4	-63.1	0	0	0	0	112.1	E62 K63 E69 Q70	E62-S66 PolarHBondContact O-N 3.33Å; E62-S66 PolarHBondContact O-OG 3.33Å; K63-S66 PolarHBondContact O-N 3.5Å; S66-E69 PolarHBondContact O-N 3.42Å; S66-Q70 VanDerWaalsContact O-CG 3.28Å; S66-Q70 WeakPolarHBondContact O-CG 3.48Å; S66-Q70 PolarHBondContact O-N 3.45Å
67	F	89.4	Confident	84.9	Confident	68 Å²	68	64.7 Å²	64.7	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-46.5	173.4	168.2	-101.7	0	0	0	112	K63 T64 F65 E69 Q70 E71 A108 K112	K63-F67 PolarHBondContact O-N 2.99Å; K63-F67 VanDerWaalsContact O-N 3.07Å; T64-F67 WeakPolarHBondContact O-CB 3.27Å; T64-F67 PolarHBondContact O-N 3.12Å; F65-F67 VanDerWaalsContact C-N 3.28Å; F65-F67 PolarHBondContact O-N 3.34Å; F67-E69 VanDerWaalsContact C-N 3.31Å; F67-E69 PolarHBondContact O-N 2.73Å; F67-Q70 PolarHBondContact O-N 2.99Å; F67-E71 PolarHBondContact O-N 3.28Å; F67-A108 HydrophobicContact CD1-CB 4.3Å; F67-A108 HydrophobicContact CE1-CB 4.34Å; F67-K112 HydrophobicContact CZ-CB 4.25Å
68	L	87.6	Confident	83	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-41.4	176.6	-68.6	173.9	0	0	0	111.7	T64 F65 E71 I72 A108 L111 L287	T64-L68 WeakPolarHBondContact O-CG 2.92Å; T64-L68 PolarHBondContact O-N 2.96Å; F65-L68 HydrophobicContact CD1-CD1 4.43Å; F65-L68 PolarHBondContact O-N 3.24Å; L68-E71 PolarHBondContact O-N 3.27Å; L68-I72 WeakPolarHBondContact O-CD1 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 3.46Å; L68-A108 HydrophobicContact CD2-CB 4.17Å; L68-L111 HydrophobicContact CD2-CD2 3.75Å; L68-L287 HydrophobicContact CB-CD1 4.34Å; L68-L287 HydrophobicContact CD1-CD1 4.25Å
69	E	86	Confident	81	Confident	61 Å²	61	75.4 Å²	75.4	29%	0.285	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-41.5	177.3	-172	166.9	-153.3	0	0	112.1	F65 S66 F67 E71 I72 N73 L287	F65-E69 WeakPolarHBondContact O-CB 3.4Å; F65-E69 PolarHBondContact O-N 2.91Å; S66-E69 PolarHBondContact O-N 3.42Å; F67-E69 VanDerWaalsContact C-N 3.31Å; F67-E69 PolarHBondContact O-N 2.73Å; E69-E71 VanDerWaalsContact C-N 3.35Å; E69-E71 PolarHBondContact O-N 2.92Å; E69-I72 PolarHBondContact O-N 3.41Å; E69-N73 WeakPolarHBondContact O-CB 3.47Å; E69-N73 VanDerWaalsContact O-CG 3.24Å; E69-N73 PolarHBondContact O-N 3.49Å; E69-N73 PolarHBondContact O-ND2 2.61Å; E69-L287 HydrophobicContact CB-CD2 4.25Å
70	Q	85.5	Confident	79.1	Confident	132 Å²	132	82 Å²	82	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-60.4	-43.2	173.7	-75.1	173.6	1	0	0	111.9	S66 F67 N73 R74	S66-Q70 VanDerWaalsContact O-CG 3.28Å; S66-Q70 WeakPolarHBondContact O-CG 3.48Å; S66-Q70 PolarHBondContact O-N 3.45Å; F67-Q70 PolarHBondContact O-N 2.99Å; Q70-N73 PolarHBondContact O-N 3.24Å; Q70-R74 WeakPolarHBondContact O-CB 3.22Å; Q70-R74 PolarHBondContact O-N 3.08Å
71	E	82.6	Confident	77.5	Confident	14 Å²	14	83 Å²	83	7%	0.065	41%	0.405	C	S	.	.	H	α-helix	trans	-71.7	-34.5	-179.3	-164.7	65.4	-171.3	0	0	112.3	F67 L68 E69 R74 S75 L111 S115	F67-E71 PolarHBondContact O-N 3.28Å; L68-E71 PolarHBondContact O-N 3.27Å; E69-E71 VanDerWaalsContact C-N 3.35Å; E69-E71 PolarHBondContact O-N 2.92Å; E71-R74 PolarHBondContact O-N 2.64Å; E71-S75 WeakPolarHBondContact O-CB 3.39Å; E71-S75 PolarHBondContact O-N 2.95Å; E71-S75 PolarHBondContact O-OG 3.26Å; E71-S75 VanDerWaalsContact O-OG 3.08Å; E71-L111 HydrophobicContact CB-CD2 3.74Å; E71-L111 HydrophobicContact CG-CD2 3.54Å; E71-L111 HydrophobicContact CG-CG 3.91Å; E71-S115 VanDerWaalsContact OE1-CB 3.32Å; E71-S115 WeakPolarHBondContact OE1-CB 3.3Å; E71-S115 PolarHBondContact OE1-OG 3.29Å
72	I	83.9	Confident	76	Confident	10 Å²	10	85.3 Å²	85.3	5%	0.051	42%	0.418	C	S	.	.	H	α-helix	trans	-60.1	-50.5	169.8	-70.5	163.8	0	0	0	109.7	L68 E69 R74 S75 L76 L280 A283 V284 L287	L68-I72 WeakPolarHBondContact O-CD1 3.47Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 3.46Å; E69-I72 PolarHBondContact O-N 3.41Å; I72-R74 VanDerWaalsContact C-N 3.31Å; I72-R74 PolarHBondContact O-N 3.28Å; I72-S75 PolarHBondContact O-N 3.03Å; I72-L76 HydrophobicContact CG2-CD1 4.08Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 PolarHBondContact O-N 3.28Å; I72-L280 HydrophobicContact CG1-CD2 3.89Å; I72-A283 HydrophobicContact CD1-CB 4.11Å; I72-V284 HydrophobicContact CD1-CG2 3.93Å; I72-V284 HydrophobicContact CG1-CG2 4.17Å; I72-V284 HydrophobicContact CG2-CG2 3.9Å; I72-L287 HydrophobicContact CD1-CD2 3.82Å
73	N	82.1	Confident	74.4	Confident	108 Å²	108	86.3 Å²	86.3	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-64.9	-33.5	-179.3	-71.8	-26.3	0	0	0	112.8	E69 Q70	E69-N73 WeakPolarHBondContact O-CB 3.47Å; E69-N73 VanDerWaalsContact O-CG 3.24Å; E69-N73 PolarHBondContact O-N 3.49Å; E69-N73 PolarHBondContact O-ND2 2.61Å; Q70-N73 PolarHBondContact O-N 3.24Å
74	R	79.5	Confident	73	Confident	157 Å²	157	84.5 Å²	84.5	59%	0.592	44%	0.438	S	S	*	.	H	α-helix	trans	-68.4	-40.2	175.9	-173.4	-180	180	-159.5	-2.8	112.2	Q70 E71 I72 D119	Q70-R74 WeakPolarHBondContact O-CB 3.22Å; Q70-R74 PolarHBondContact O-N 3.08Å; E71-R74 PolarHBondContact O-N 2.64Å; I72-R74 VanDerWaalsContact C-N 3.31Å; I72-R74 PolarHBondContact O-N 3.28Å; R74-D119 IonicContact NH1-OD2 2.62Å; R74-D119 IonicContact NH2-OD1 3.67Å; R74-D119 IonicContact NH2-OD2 3.61Å
75	S	74.7	Confident	71.4	Confident	47 Å²	47	84.1 Å²	84.1	33%	0.329	44%	0.436	S	S	.	.	H	α-helix	trans	-95.9	-33.1	-169.4	-58.5	0	0	0	0	113.9	E71 I72	E71-S75 WeakPolarHBondContact O-CB 3.39Å; E71-S75 PolarHBondContact O-N 2.95Å; E71-S75 PolarHBondContact O-OG 3.26Å; E71-S75 VanDerWaalsContact O-OG 3.08Å; I72-S75 PolarHBondContact O-N 3.03Å
76	L	71.1	Confident	69.7	Low	51 Å²	51	89.5 Å²	89.5	27%	0.267	47%	0.474	S	S	.	.	S	Bend	trans	-98.4	105.3	174.7	-80.6	129.7	0	0	0	109.5	I72 L280 V284	I72-L76 HydrophobicContact CG2-CD1 4.08Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 PolarHBondContact O-N 3.28Å; L76-L280 HydrophobicContact CD1-CB 4.02Å; L76-L280 HydrophobicContact CD1-CD1 4.31Å; L76-V284 HydrophobicContact CD1-CG2 4.41Å
77	K	59.8	Low	68.5	Low	193 Å²	193	92.1 Å²	92.1	84%	0.839	49%	0.49	S	S	*	.			trans	-48.2	145.9	163.6	-75.7	-175.4	-178.8	-180	0	109.8	Q79	K77-Q79 PolarHBondContact O-N 3.39Å
78	P	50.2	Low	67.3	Low	133 Å²	133	92.6 Å²	92.6	86%	0.864	50%	0.498	S	S	*	.			trans	-61.5	95.8	-144.1	26.4	-34.5	0	0	0	111.5
79	Q	49.1	Very low	66.6	Low	150 Å²	150	93.4 Å²	93.4	70%	0.701	50%	0.503	S	S	*	.			trans	-81.5	152.1	157	-74.8	-170.7	-6.6	0	0	107.9	K77	K77-Q79 PolarHBondContact O-N 3.39Å
80	R	51.3	Low	66	Low	217 Å²	217	94.5 Å²	94.5	82%	0.819	52%	0.517	S	S	*	.			trans	-42.4	147.3	-173.8	-74.2	173.9	179	162	1.9	112.1	L82	R80-L82 PolarHBondContact O-N 3.27Å
81	P	56.6	Low	65.5	Low	104 Å²	104	88.7 Å²	88.7	68%	0.675	49%	0.492	S	S	*	.			trans	-47.3	135.4	169.1	19.5	-30.8	0	0	0	109.6	A83	P81-A83 PolarHBondContact O-N 3.04Å
82	L	58.1	Low	65.5	Low	52 Å²	52	88 Å²	88	27%	0.272	49%	0.489	S	S	.	.			trans	-48.2	112	-179.3	-78.3	127.7	0	0	0	108.9	R80 V284 L287 P288	R80-L82 PolarHBondContact O-N 3.27Å; L82-V284 HydrophobicContact CD2-CB 4.45Å; L82-V284 HydrophobicContact CD2-CG1 4.06Å; L82-V284 WeakPolarHBondContact CD2-O 3.16Å; L82-L287 HydrophobicContact CD1-CD2 4.23Å; L82-P288 HydrophobicContact CB-CG 4.15Å; L82-P288 HydrophobicContact CD2-CG 3.55Å; L82-P288 HydrophobicContact CG-CG 4.47Å
83	A	57.3	Low	65.4	Low	73 Å²	73	91 Å²	91	60%	0.603	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-64	136	-178.8	0	0	0	0	0	108.9	P81	P81-A83 PolarHBondContact O-N 3.04Å
84	P	59.7	Low	65.3	Low	105 Å²	105	88 Å²	88	68%	0.682	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-58.9	141.3	175.3	24.1	-32.3	0	0	0	109.6	S86	P84-S86 PolarHBondContact O-N 3.43Å
85	P	56.6	Low	65.4	Low	24 Å²	24	90.5 Å²	90.5	16%	0.156	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-62.9	131.2	-177.9	26.2	-33.1	0	0	0	110.4	P87 P288 Q289 V292	P85-P87 CarbonylContact O-C 3.57Å; P85-P288 HydrophobicContact CG-CB 4.45Å; P85-Q289 HydrophobicContact CB-CG 3.94Å; P85-Q289 HydrophobicContact CG-CG 4.42Å; P85-V292 HydrophobicContact CG-CG2 4Å
86	S	54.8	Low	65.9	Low	120 Å²	120	92.3 Å²	92.3	84%	0.839	50%	0.502	S	S	*	.	S	Bend	trans	-118.4	115.9	170.2	179.8	0	0	0	0	107.8	P84	P84-S86 PolarHBondContact O-N 3.43Å
87	P	62.8	Low	66.5	Low	116 Å²	116	89.9 Å²	89.9	75%	0.753	49%	0.489	S	S	*	.	S	Bend	cis	-77.4	158.2	5.3	31.3	-34.8	0	0	0	114.2	P85	P85-P87 CarbonylContact O-C 3.57Å
88	V	65	Low	67.9	Low	77 Å²	77	84 Å²	84	47%	0.467	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-63.3	122.8	174.2	-178.4	0	0	0	0	108.8	V292 I818	V88-V292 HydrophobicContact CG1-CG1 4.19Å; V88-I818 HydrophobicContact CG1-CD1 4.19Å
89	P	72.3	Confident	69.8	Low	17 Å²	17	81 Å²	81	11%	0.11	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.1	-178.4	26.9	-33.7	0	0	0	111.5	V292 R293 K296	P89-V292 HydrophobicContact CG-CB 4.09Å; P89-V292 HydrophobicContact CG-CG1 3.86Å; P89-R293 HydrophobicContact CB-CG 3.98Å; P89-R293 HydrophobicContact CG-CG 3.94Å; P89-K296 WeakPolarHBondContact O-CE 3.42Å; P89-K296 PolarHBondContact O-NZ 3.48Å
90	S	72.9	Confident	71.7	Confident	84 Å²	84	74 Å²	74	59%	0.587	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.2	156.9	169.1	54.6	0	0	0	0	111.1
91	A	75.9	Confident	73.5	Confident	10 Å²	10	65.3 Å²	65.3	8%	0.083	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.4	134	172.2	0	0	0	0	0	110.2	S27 K296 I300	S27-A91 VanDerWaalsContact OG-CB 3.29Å; S27-A91 WeakPolarHBondContact OG-CB 3.34Å; A91-K296 HydrophobicContact CB-CB 4.27Å; A91-K296 HydrophobicContact CB-CD 4.44Å; A91-I300 HydrophobicContact CB-CD1 3.69Å
92	P	81.5	Confident	75.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-70.5	148.1	179.9	31	-35.6	0	0	0	110.3	Y23 E96 I100 R293 C297	Y23-P92 VanDerWaalsContact CE1-O 3.28Å; Y23-P92 WeakPolarHBondContact CE1-O 3.23Å; Y23-P92 PolarHBondContact OH-O 3.46Å; P92-E96 WeakPolarHBondContact CA-OE2 3.17Å; P92-E96 HydrophobicContact CB-CB 4.09Å; P92-I100 HydrophobicContact CB-CD1 4.47Å; P92-R293 WeakPolarHBondContact CD-O 3.29Å; P92-R293 HydrophobicContact CG-CB 4Å; P92-C297 HydrophobicContact CG-CB 4.22Å
93	Q	81.9	Confident	76.8	Confident	73 Å²	73	68.2 Å²	68.2	34%	0.341	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.9	153.3	166.7	-69.7	-65.7	-30.3	0	0	110	N24 R95 E96 L97	N24-Q93 PolarHBondContact OD1-NE2 3.39Å; N24-Q93 PolarHBondContact OD1-OE1 3.2Å; Q93-R95 PolarHBondContact O-N 2.96Å; Q93-E96 HydrophobicContact CB-CG 4.3Å; Q93-E96 PolarHBondContact N-OE2 3.47Å; Q93-E96 WeakPolarHBondContact O-CB 3.35Å; Q93-E96 PolarHBondContact O-N 3.29Å; Q93-L97 PolarHBondContact O-N 3.05Å; Q93-L97 VanDerWaalsContact O-N 3.15Å
94	P	79.3	Confident	78.4	Confident	44 Å²	44	64.8 Å²	64.8	29%	0.286	36%	0.356	S	S	.	.	H	α-helix	trans	-54	-27.8	177.1	-28.3	35.2	0	0	0	114.1	Y23 L97 I98	Y23-P94 HydrophobicContact CD1-CG 4.39Å; Y23-P94 HydrophobicContact CD2-CG 4.27Å; Y23-P94 HydrophobicContact CE1-CG 4.49Å; Y23-P94 HydrophobicContact CE2-CG 4.34Å; Y23-P94 HydrophobicContact CG-CG 4.3Å; P94-L97 WeakPolarHBondContact O-CB 3.4Å; P94-I98 WeakPolarHBondContact O-CG1 3.49Å
95	R	83	Confident	79.9	Confident	211 Å²	211	64 Å²	64	80%	0.796	34%	0.343	S	S	*	.	H	α-helix	trans	-70	-39.2	173.8	-66.2	-177	178.4	174.8	-0.2	113.2	Q93 L97 I98	Q93-R95 PolarHBondContact O-N 2.96Å; R95-L97 VanDerWaalsContact C-N 3.29Å; R95-I98 WeakPolarHBondContact O-CB 3.3Å; R95-I98 PolarHBondContact O-N 3.33Å
96	E	83.8	Confident	81.6	Confident	85 Å²	85	70 Å²	70	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-70.3	-29.8	177.9	-64.3	173.2	-176.8	0	0	111.1	P92 Q93 I98 T99 I100	P92-E96 WeakPolarHBondContact CA-OE2 3.17Å; P92-E96 HydrophobicContact CB-CB 4.09Å; Q93-E96 HydrophobicContact CB-CG 4.3Å; Q93-E96 PolarHBondContact N-OE2 3.47Å; Q93-E96 WeakPolarHBondContact O-CB 3.35Å; Q93-E96 PolarHBondContact O-N 3.29Å; E96-I98 PolarHBondContact O-N 3.42Å; E96-T99 WeakPolarHBondContact CA-OG1 3.41Å; E96-T99 PolarHBondContact O-N 3.48Å; E96-T99 VanDerWaalsContact O-N 3.12Å; E96-T99 PolarHBondContact O-OG1 3.06Å; E96-I100 WeakPolarHBondContact O-CG1 3.28Å; E96-I100 PolarHBondContact O-N 2.85Å
97	L	85.4	Confident	83.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-38.5	173.7	-172.9	68.8	0	0	0	111.9	L61 Q93 P94 R95 T99 I100 E101 V294	L61-L97 HydrophobicContact CD1-CD1 3.77Å; L61-L97 HydrophobicContact CD1-CG 4.31Å; Q93-L97 PolarHBondContact O-N 3.05Å; Q93-L97 VanDerWaalsContact O-N 3.15Å; P94-L97 WeakPolarHBondContact O-CB 3.4Å; R95-L97 VanDerWaalsContact C-N 3.29Å; L97-T99 VanDerWaalsContact C-N 3.33Å; L97-T99 PolarHBondContact O-N 3.29Å; L97-I100 PolarHBondContact O-N 2.75Å; L97-E101 PolarHBondContact O-N 3.28Å; L97-V294 HydrophobicContact CD1-CG2 4.1Å
98	I	88.1	Confident	84.7	Confident	69 Å²	69	59.7 Å²	59.7	35%	0.354	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.1	-43	-171.2	0	0	0	110.5	P94 R95 E96 I100 E101 E102	P94-I98 WeakPolarHBondContact O-CG1 3.49Å; R95-I98 WeakPolarHBondContact O-CB 3.3Å; R95-I98 PolarHBondContact O-N 3.33Å; E96-I98 PolarHBondContact O-N 3.42Å; I98-I100 VanDerWaalsContact C-N 3.34Å; I98-I100 PolarHBondContact O-N 2.98Å; I98-E101 WeakPolarHBondContact O-CB 3.5Å; I98-E101 PolarHBondContact O-N 2.97Å; I98-E102 WeakPolarHBondContact O-CG 3.34Å; I98-E102 PolarHBondContact O-N 2.93Å
99	T	90.3	Very high	86	Confident	70 Å²	70	63.2 Å²	63.2	43%	0.429	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-38.5	178.2	63.1	0	0	0	0	112.2	E96 L97 E101 E102 E103	E96-T99 WeakPolarHBondContact CA-OG1 3.41Å; E96-T99 PolarHBondContact O-N 3.48Å; E96-T99 VanDerWaalsContact O-N 3.12Å; E96-T99 PolarHBondContact O-OG1 3.06Å; L97-T99 VanDerWaalsContact C-N 3.33Å; L97-T99 PolarHBondContact O-N 3.29Å; T99-E101 VanDerWaalsContact C-N 3.34Å; T99-E102 PolarHBondContact O-N 2.87Å; T99-E103 WeakPolarHBondContact O-CB 3.36Å; T99-E103 WeakPolarHBondContact O-CG 3.16Å; T99-E103 PolarHBondContact O-N 3.39Å
100	I	88.6	Confident	86.9	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-39.8	175.9	-66.2	168.4	0	0	0	110.4	F65 P92 E96 L97 I98 S104 W290 R293 V294	F65-I100 HydrophobicContact CZ-CG2 4.21Å; P92-I100 HydrophobicContact CB-CD1 4.47Å; E96-I100 WeakPolarHBondContact O-CG1 3.28Å; E96-I100 PolarHBondContact O-N 2.85Å; L97-I100 PolarHBondContact O-N 2.75Å; I98-I100 VanDerWaalsContact C-N 3.34Å; I98-I100 PolarHBondContact O-N 2.98Å; I100-S104 WeakPolarHBondContact O-CB 3.35Å; I100-S104 PolarHBondContact O-N 2.77Å; I100-S104 PolarHBondContact O-OG 3.03Å; I100-W290 HydrophobicContact CG2-CB 4.32Å; I100-W290 HydrophobicContact CG2-CD2 4.36Å; I100-W290 HydrophobicContact CG2-CG 3.96Å; I100-R293 HydrophobicContact CD1-CB 4.46Å; I100-V294 HydrophobicContact CG2-CG2 4.48Å
101	E	90.3	Very high	87.7	Confident	34 Å²	34	60.7 Å²	60.7	16%	0.159	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-52.2	175.1	-179.3	178.9	-109.9	0	0	111.5	R57 L61 L97 I98 T99 E103 S104 E105	R57-E101 VanDerWaalsContact CG-OE1 3.29Å; R57-E101 WeakPolarHBondContact CG-OE1 3.13Å; R57-E101 IonicContact CZ-OE1 3.24Å; R57-E101 IonicContact CZ-OE2 3.49Å; R57-E101 VanDerWaalsContact CZ-OE2 3.24Å; R57-E101 VanDerWaalsContact NE-CD 3.34Å; R57-E101 IonicContact NE-OE1 3.62Å; R57-E101 PolarHBondContact NE-OE1 3.44Å; R57-E101 IonicContact NE-OE2 3.93Å; R57-E101 PolarHBondContact NE-OE2 3.44Å; R57-E101 VanDerWaalsContact NE-OE2 3.08Å; R57-E101 IonicContact NH2-OE1 2.74Å; R57-E101 IonicContact NH2-OE2 3.86Å; R57-E101 PolarHBondContact NH2-OE2 3.01Å; L61-E101 HydrophobicContact CD1-CB 4.42Å; L61-E101 HydrophobicContact CD2-CB 3.83Å; L61-E101 HydrophobicContact CD2-CG 3.99Å; L97-E101 PolarHBondContact O-N 3.28Å; I98-E101 WeakPolarHBondContact O-CB 3.5Å; I98-E101 PolarHBondContact O-N 2.97Å; T99-E101 VanDerWaalsContact C-N 3.34Å; E101-E103 VanDerWaalsContact C-N 3.35Å; E101-E103 PolarHBondContact O-N 3.47Å; E101-S104 PolarHBondContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.35Å; E101-S104 VanDerWaalsContact O-OG 3.06Å; E101-E105 HydrophobicContact CG-CG 4.41Å; E101-E105 WeakPolarHBondContact O-CB 3.42Å; E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 3.15Å
102	E	91.6	Very high	88.4	Confident	123 Å²	123	67 Å²	67	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-58.5	-44.6	178.8	-70.7	175.8	-175.3	0	0	112.5	I98 T99 R106	I98-E102 WeakPolarHBondContact O-CG 3.34Å; I98-E102 PolarHBondContact O-N 2.93Å; T99-E102 PolarHBondContact O-N 2.87Å; E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 2.87Å
103	E	91.2	Very high	88.9	Confident	94 Å²	94	72.9 Å²	72.9	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-42.7	179	-73.4	-172.4	166.7	0	0	112.8	T99 E101 L107 W290	T99-E103 WeakPolarHBondContact O-CB 3.36Å; T99-E103 WeakPolarHBondContact O-CG 3.16Å; T99-E103 PolarHBondContact O-N 3.39Å; E101-E103 VanDerWaalsContact C-N 3.35Å; E101-E103 PolarHBondContact O-N 3.47Å; E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 PolarHBondContact O-N 3.06Å; E103-W290 HydrophobicContact CB-CH2 4.25Å; E103-W290 HydrophobicContact CB-CZ2 4.01Å
104	S	90.8	Very high	89.3	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.7	-41.6	-178.8	62.3	0	0	0	0	112.4	L61 I100 E101 L107 A108	L61-S104 WeakPolarHBondContact CD2-OG 3.29Å; I100-S104 WeakPolarHBondContact O-CB 3.35Å; I100-S104 PolarHBondContact O-N 2.77Å; I100-S104 PolarHBondContact O-OG 3.03Å; E101-S104 PolarHBondContact O-N 3.07Å; E101-S104 PolarHBondContact O-OG 3.35Å; E101-S104 VanDerWaalsContact O-OG 3.06Å; S104-L107 PolarHBondContact O-N 3.36Å; S104-A108 VanDerWaalsContact O-CB 3.27Å; S104-A108 WeakPolarHBondContact O-CB 3.17Å; S104-A108 PolarHBondContact O-N 2.67Å
105	E	91.5	Very high	89.7	Confident	88 Å²	88	68.4 Å²	68.4	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-37.9	174.4	-73.2	-171.4	165.2	0	0	111.9	E101 R109	E101-E105 HydrophobicContact CG-CG 4.41Å; E101-E105 WeakPolarHBondContact O-CB 3.42Å; E101-E105 WeakPolarHBondContact O-CG 3.5Å; E101-E105 PolarHBondContact O-N 3.15Å; E105-R109 WeakPolarHBondContact O-CB 3.27Å; E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.18Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 PolarHBondContact O-NE 3.05Å
106	R	92.6	Very high	90.1	Very high	152 Å²	152	67.6 Å²	67.6	57%	0.574	30%	0.303	S	S	*	.	H	α-helix	trans	-61.8	-49.7	173.7	178.6	178.6	175.8	171.9	3.9	110.7	E102 A108 R109 E110	E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 2.87Å; R106-A108 VanDerWaalsContact C-N 3.34Å; R106-A108 PolarHBondContact O-N 3.34Å; R106-R109 PolarHBondContact O-N 3.16Å; R106-E110 HydrophobicContact CG-CG 4.48Å; R106-E110 WeakPolarHBondContact CG-OE1 3.5Å; R106-E110 IonicContact CZ-OE1 3.99Å; R106-E110 IonicContact NE-OE1 3.86Å; R106-E110 PolarHBondContact NE-OE1 3.37Å; R106-E110 IonicContact NH2-OE1 3.96Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.08Å
107	L	90.9	Very high	90.4	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-42	179	-174.4	64.3	0	0	0	111.6	E103 S104 E110 L111 L279 A283 W290	E103-L107 WeakPolarHBondContact O-CB 3.4Å; E103-L107 PolarHBondContact O-N 3.06Å; S104-L107 PolarHBondContact O-N 3.36Å; L107-E110 PolarHBondContact O-N 3.38Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 PolarHBondContact O-N 3.41Å; L107-L279 HydrophobicContact CD1-CD2 4.19Å; L107-A283 HydrophobicContact CD2-CB 3.86Å; L107-W290 HydrophobicContact CD2-CH2 4.18Å; L107-W290 HydrophobicContact CD2-CZ3 4.04Å
108	A	90.9	Very high	90.6	Very high	14 Å²	14	68.4 Å²	68.4	12%	0.116	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-39.5	177	0	0	0	0	0	112.4	F67 L68 S104 R106 K112	F67-A108 HydrophobicContact CD1-CB 4.3Å; F67-A108 HydrophobicContact CE1-CB 4.34Å; L68-A108 HydrophobicContact CD2-CB 4.17Å; S104-A108 VanDerWaalsContact O-CB 3.27Å; S104-A108 WeakPolarHBondContact O-CB 3.17Å; S104-A108 PolarHBondContact O-N 2.67Å; R106-A108 VanDerWaalsContact C-N 3.34Å; R106-A108 PolarHBondContact O-N 3.34Å; A108-K112 VanDerWaalsContact O-CB 3.23Å; A108-K112 WeakPolarHBondContact O-CB 3.36Å; A108-K112 PolarHBondContact O-N 3.04Å
109	R	92.6	Very high	90.5	Very high	150 Å²	150	67.9 Å²	67.9	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-65	-50.6	174.2	-78.4	-176.4	-71.2	158.2	-8.2	111.9	E105 R106 L111 K112 E113	E105-R109 WeakPolarHBondContact O-CB 3.27Å; E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.18Å; E105-R109 PolarHBondContact O-N 3.46Å; E105-R109 PolarHBondContact O-NE 3.05Å; R106-R109 PolarHBondContact O-N 3.16Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.39Å; R109-K112 PolarHBondContact O-N 3.19Å; R109-E113 WeakPolarHBondContact O-CG 3.37Å; R109-E113 PolarHBondContact O-N 3.42Å
110	E	91.6	Very high	90.5	Very high	48 Å²	48	67.5 Å²	67.5	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-45.9	177.3	-72.9	174.6	-172.6	0	0	110.5	R106 L107 K112 E113 V114 L279	R106-E110 HydrophobicContact CG-CG 4.48Å; R106-E110 WeakPolarHBondContact CG-OE1 3.5Å; R106-E110 IonicContact CZ-OE1 3.99Å; R106-E110 IonicContact NE-OE1 3.86Å; R106-E110 PolarHBondContact NE-OE1 3.37Å; R106-E110 IonicContact NH2-OE1 3.96Å; R106-E110 WeakPolarHBondContact O-CG 3.48Å; R106-E110 PolarHBondContact O-N 3.08Å; L107-E110 PolarHBondContact O-N 3.38Å; E110-K112 PolarHBondContact O-N 3.12Å; E110-E113 PolarHBondContact O-N 2.62Å; E110-V114 WeakPolarHBondContact O-CB 3.48Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 2.96Å; E110-L279 HydrophobicContact CB-CD1 4.37Å
111	L	89.9	Confident	90.6	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-41.5	179.3	-164.7	70.9	0	0	0	112.4	L68 E71 L107 R109 V114 S115 L276 L279 L280	L68-L111 HydrophobicContact CD2-CD2 3.75Å; E71-L111 HydrophobicContact CB-CD2 3.74Å; E71-L111 HydrophobicContact CG-CD2 3.54Å; E71-L111 HydrophobicContact CG-CG 3.91Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 PolarHBondContact O-N 3.41Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.39Å; L111-V114 PolarHBondContact O-N 2.89Å; L111-S115 VanDerWaalsContact O-CB 3.23Å; L111-S115 WeakPolarHBondContact O-CB 3.37Å; L111-S115 PolarHBondContact O-N 3.23Å; L111-L276 HydrophobicContact CD1-CD1 3.39Å; L111-L276 HydrophobicContact CG-CD1 4.45Å; L111-L279 HydrophobicContact CD1-CB 4.31Å; L111-L280 HydrophobicContact CD1-CD2 3.83Å; L111-L280 HydrophobicContact CD1-CG 4.11Å; L111-L280 HydrophobicContact CD2-CD2 4.17Å
112	K	90.8	Very high	90.5	Very high	142 Å²	142	70.6 Å²	70.6	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-65.4	-40.6	177.9	-173.3	174.5	-176.7	175.6	0	112	F67 A108 R109 E110 R116	F67-K112 HydrophobicContact CZ-CB 4.25Å; A108-K112 VanDerWaalsContact O-CB 3.23Å; A108-K112 WeakPolarHBondContact O-CB 3.36Å; A108-K112 PolarHBondContact O-N 3.04Å; R109-K112 PolarHBondContact O-N 3.19Å; E110-K112 PolarHBondContact O-N 3.12Å; K112-R116 VanDerWaalsContact O-CB 3.28Å; K112-R116 WeakPolarHBondContact O-CB 3.3Å; K112-R116 PolarHBondContact O-N 2.94Å
113	E	91.8	Very high	90.3	Very high	123 Å²	123	66.3 Å²	66.3	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-65.8	-47.8	175.8	-73.7	176.4	-170.7	0	0	111.4	R109 E110 R116 N117	R109-E113 WeakPolarHBondContact O-CG 3.37Å; R109-E113 PolarHBondContact O-N 3.42Å; E110-E113 PolarHBondContact O-N 2.62Å; E113-R116 PolarHBondContact O-N 3.33Å; E113-N117 WeakPolarHBondContact O-CB 3.37Å; E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 PolarHBondContact O-ND2 2.85Å
114	V	90.9	Very high	90.3	Very high	14 Å²	14	66 Å²	66	9%	0.085	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-42.5	178.7	175.5	0	0	0	0	111.4	E110 L111 N117 R118 T272 F275 L276 L279	E110-V114 WeakPolarHBondContact O-CB 3.48Å; E110-V114 WeakPolarHBondContact O-CG2 3.45Å; E110-V114 PolarHBondContact O-N 2.96Å; L111-V114 PolarHBondContact O-N 2.89Å; V114-N117 PolarHBondContact O-N 2.99Å; V114-R118 VanDerWaalsContact O-CB 3.31Å; V114-R118 WeakPolarHBondContact O-CB 3.47Å; V114-R118 PolarHBondContact O-N 3.22Å; V114-T272 HydrophobicContact CG1-CG2 3.98Å; V114-F275 HydrophobicContact CG1-CD1 4.35Å; V114-F275 HydrophobicContact CG2-CD1 3.77Å; V114-F275 HydrophobicContact CG2-CE1 3.66Å; V114-L276 HydrophobicContact CG1-CB 3.88Å; V114-L276 HydrophobicContact CG1-CD1 4.01Å; V114-L276 HydrophobicContact CG1-CG 4.46Å; V114-L279 HydrophobicContact CG2-CD1 4.08Å
115	S	87.9	Confident	90.2	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-41.7	178.2	-163.6	0	0	0	0	111.4	E71 L111 R118 D119	E71-S115 VanDerWaalsContact OE1-CB 3.32Å; E71-S115 WeakPolarHBondContact OE1-CB 3.3Å; E71-S115 PolarHBondContact OE1-OG 3.29Å; L111-S115 VanDerWaalsContact O-CB 3.23Å; L111-S115 WeakPolarHBondContact O-CB 3.37Å; L111-S115 PolarHBondContact O-N 3.23Å; S115-R118 PolarHBondContact O-N 3.31Å; S115-R118 PolarHBondContact OG-NH2 3.22Å; S115-D119 PolarHBondContact O-N 3Å
116	R	90.3	Very high	90	Very high	194 Å²	194	63.8 Å²	63.8	73%	0.732	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-44.3	173.4	-177	-178.4	178.6	-176	-0.4	112.2	K112 E113 D119 S120	K112-R116 VanDerWaalsContact O-CB 3.28Å; K112-R116 WeakPolarHBondContact O-CB 3.3Å; K112-R116 PolarHBondContact O-N 2.94Å; E113-R116 PolarHBondContact O-N 3.33Å; R116-D119 PolarHBondContact O-N 3.35Å; R116-S120 WeakPolarHBondContact O-CB 3.41Å; R116-S120 PolarHBondContact O-N 3.5Å
117	N	91	Very high	89.8	Confident	92 Å²	92	60.9 Å²	60.9	49%	0.492	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-42	178	-69.5	-15	0	0	0	111	E113 V114 S120 L121	E113-N117 WeakPolarHBondContact O-CB 3.37Å; E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 PolarHBondContact O-ND2 2.85Å; V114-N117 PolarHBondContact O-N 2.99Å; N117-S120 PolarHBondContact O-N 2.89Å; N117-L121 WeakPolarHBondContact O-CB 3.48Å; N117-L121 VanDerWaalsContact O-CG 3.28Å; N117-L121 WeakPolarHBondContact O-CG 3.42Å; N117-L121 PolarHBondContact O-N 3.31Å
118	R	88.3	Confident	89.7	Confident	11 Å²	11	62.2 Å²	62.2	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-49.5	174.5	-176.5	-171.4	58.6	60.2	10.5	111.3	V114 S115 S120 L121 R122 L269 T272 E273	V114-R118 VanDerWaalsContact O-CB 3.31Å; V114-R118 WeakPolarHBondContact O-CB 3.47Å; V114-R118 PolarHBondContact O-N 3.22Å; S115-R118 PolarHBondContact O-N 3.31Å; S115-R118 PolarHBondContact OG-NH2 3.22Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.76Å; R118-L121 PolarHBondContact O-N 3Å; R118-R122 VanDerWaalsContact NH1-NH1 3.17Å; R118-R122 WeakPolarHBondContact O-CB 3.49Å; R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 2.94Å; R118-L269 HydrophobicContact CG-CD1 4.03Å; R118-T272 HydrophobicContact CB-CG2 4.29Å; R118-E273 HydrophobicContact CG-CG 4.48Å
119	D	87.2	Confident	89.6	Confident	58 Å²	58	62 Å²	62	31%	0.31	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-40.3	179.6	-73.8	-20.8	0	0	0	111.3	R74 S115 R116 R122 A123	R74-D119 IonicContact NH1-OD2 2.62Å; R74-D119 IonicContact NH2-OD1 3.67Å; R74-D119 IonicContact NH2-OD2 3.61Å; S115-D119 PolarHBondContact O-N 3Å; R116-D119 PolarHBondContact O-N 3.35Å; D119-R122 PolarHBondContact O-N 3.02Å; D119-A123 WeakPolarHBondContact O-CB 3.43Å; D119-A123 PolarHBondContact O-N 2.85Å
120	S	90.1	Very high	89.4	Confident	61 Å²	61	55 Å²	55	43%	0.427	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-44.7	174.2	-173.2	0	0	0	0	112.7	R116 N117 R118 A123 Q124	R116-S120 WeakPolarHBondContact O-CB 3.41Å; R116-S120 PolarHBondContact O-N 3.5Å; N117-S120 PolarHBondContact O-N 2.89Å; R118-S120 VanDerWaalsContact C-N 3.34Å; R118-S120 PolarHBondContact O-N 2.76Å; S120-A123 PolarHBondContact O-N 2.82Å; S120-Q124 WeakPolarHBondContact O-CG 3.48Å; S120-Q124 PolarHBondContact O-N 2.84Å
121	L	90.2	Very high	89.3	Confident	29 Å²	29	54.4 Å²	54.4	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-39.5	177.9	-74.1	171.5	0	0	0	111.6	N117 R118 Q124 L125 I265 V268 L269	N117-L121 WeakPolarHBondContact O-CB 3.48Å; N117-L121 VanDerWaalsContact O-CG 3.28Å; N117-L121 WeakPolarHBondContact O-CG 3.42Å; N117-L121 PolarHBondContact O-N 3.31Å; R118-L121 PolarHBondContact O-N 3Å; L121-Q124 PolarHBondContact O-N 3.38Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 PolarHBondContact O-N 2.95Å; L121-I265 HydrophobicContact CD2-CG2 4.49Å; L121-V268 HydrophobicContact CD1-CG1 3.91Å; L121-L269 HydrophobicContact CB-CD1 4.16Å
122	R	88.1	Confident	89.2	Confident	74 Å²	74	56.4 Å²	56.4	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-44.5	173.6	-76.4	-172.2	-176.9	-178.3	0.4	111.6	R118 D119 Q124 L125 T126 E204 L269 E273	R118-R122 VanDerWaalsContact NH1-NH1 3.17Å; R118-R122 WeakPolarHBondContact O-CB 3.49Å; R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 2.94Å; D119-R122 PolarHBondContact O-N 3.02Å; R122-Q124 VanDerWaalsContact C-N 3.35Å; R122-Q124 PolarHBondContact O-N 2.92Å; R122-L125 PolarHBondContact O-N 3.37Å; R122-T126 PolarHBondContact O-N 3.16Å; R122-T126 PolarHBondContact O-OG1 3.09Å; R122-T126 VanDerWaalsContact O-OG1 3.12Å; R122-E204 IonicContact NH1-OE1 3.65Å; R122-E204 IonicContact NH1-OE2 3.57Å; R122-L269 HydrophobicContact CG-CD1 3.86Å; R122-L269 HydrophobicContact CG-CD2 4.01Å; R122-E273 IonicContact CZ-OE1 2.82Å; R122-E273 IonicContact NE-OE1 2.94Å; R122-E273 PolarHBondContact NE-OE1 3.41Å; R122-E273 IonicContact NH2-OE1 3.37Å; R122-E273 PolarHBondContact NH2-OE1 3.09Å
123	A	88.3	Confident	88.9	Confident	34 Å²	34	50.2 Å²	50.2	28%	0.281	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-44.5	176.5	0	0	0	0	0	111.8	D119 S120 T126 Q127	D119-A123 WeakPolarHBondContact O-CB 3.43Å; D119-A123 PolarHBondContact O-N 2.85Å; S120-A123 PolarHBondContact O-N 2.82Å; A123-T126 PolarHBondContact O-N 3.45Å; A123-Q127 WeakPolarHBondContact O-CG 3.44Å; A123-Q127 PolarHBondContact O-N 3.42Å
124	Q	89.9	Confident	88.6	Confident	88 Å²	88	44.3 Å²	44.3	41%	0.411	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-43.5	174.9	-73.9	176.9	-19.2	0	0	112.3	S120 L121 R122 T126 Q127 L128	S120-Q124 WeakPolarHBondContact O-CG 3.48Å; S120-Q124 PolarHBondContact O-N 2.84Å; L121-Q124 PolarHBondContact O-N 3.38Å; R122-Q124 VanDerWaalsContact C-N 3.35Å; R122-Q124 PolarHBondContact O-N 2.92Å; Q124-T126 PolarHBondContact O-N 3.2Å; Q124-Q127 PolarHBondContact O-N 3.29Å; Q124-L128 WeakPolarHBondContact O-CG 3.38Å; Q124-L128 PolarHBondContact O-N 3.49Å
125	L	89.3	Confident	88.3	Confident	25 Å²	25	43.7 Å²	43.7	13%	0.131	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-45.9	176.5	-178.4	65	0	0	0	111.2	L121 R122 Q127 L128 C129 I262 I265 K266 L269	L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.47Å; L121-L125 PolarHBondContact O-N 2.95Å; R122-L125 PolarHBondContact O-N 3.37Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 2.99Å; L125-L128 PolarHBondContact O-N 3.06Å; L125-C129 WeakPolarHBondContact O-CB 3.47Å; L125-C129 PolarHBondContact O-N 3.36Å; L125-C129 PolarHBondContact O-SG 3.46Å; L125-C129 VanDerWaalsContact O-SG 3.32Å; L125-I262 HydrophobicContact CD1-CG2 4.04Å; L125-I265 HydrophobicContact CB-CG2 4Å; L125-I265 HydrophobicContact CD1-CG2 4.16Å; L125-K266 HydrophobicContact CD1-CG 3.89Å; L125-K266 HydrophobicContact CD2-CG 4.15Å; L125-L269 HydrophobicContact CD2-CD2 3.93Å
126	T	87.6	Confident	88.1	Confident	15 Å²	15	46.5 Å²	46.5	9%	0.092	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-43.4	176.6	-62.3	0	0	0	0	111.1	R122 A123 Q124 C129 Q130 L203 P206	R122-T126 PolarHBondContact O-N 3.16Å; R122-T126 PolarHBondContact O-OG1 3.09Å; R122-T126 VanDerWaalsContact O-OG1 3.12Å; A123-T126 PolarHBondContact O-N 3.45Å; Q124-T126 PolarHBondContact O-N 3.2Å; T126-C129 PolarHBondContact O-N 2.93Å; T126-Q130 HydrophobicContact CG2-CG 4.5Å; T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.25Å; T126-Q130 WeakPolarHBondContact O-CG 3.4Å; T126-Q130 PolarHBondContact O-N 3.18Å; T126-L203 HydrophobicContact CG2-CB 4.42Å; T126-P206 HydrophobicContact CG2-CG 4.49Å
127	Q	88.9	Confident	87.5	Confident	91 Å²	91	38.7 Å²	38.7	43%	0.425	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-44.4	176.2	-74.7	-178.1	-20.9	0	0	112.7	A123 Q124 L125 Q130 Y131	A123-Q127 WeakPolarHBondContact O-CG 3.44Å; A123-Q127 PolarHBondContact O-N 3.42Å; Q124-Q127 PolarHBondContact O-N 3.29Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 2.99Å; Q127-Q130 PolarHBondContact O-N 3Å; Q127-Y131 PolarHBondContact O-N 2.83Å
128	L	89.2	Confident	86.6	Confident	33 Å²	33	34.4 Å²	34.4	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-68.4	-40.3	178.4	-67.1	178.3	0	0	0	112.3	Q124 L125 Q130 Y131 K132 L258 R261 I262 I265	Q124-L128 WeakPolarHBondContact O-CG 3.38Å; Q124-L128 PolarHBondContact O-N 3.49Å; L125-L128 PolarHBondContact O-N 3.06Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Y131 PolarHBondContact O-N 2.91Å; L128-K132 WeakPolarHBondContact O-CB 3.31Å; L128-K132 PolarHBondContact O-N 3.4Å; L128-L258 HydrophobicContact CD2-CD2 3.81Å; L128-R261 HydrophobicContact CD1-CB 4.21Å; L128-I262 HydrophobicContact CB-CD1 4.17Å; L128-I262 HydrophobicContact CB-CG1 3.74Å; L128-I262 HydrophobicContact CD1-CG1 4.31Å; L128-I265 HydrophobicContact CD1-CD1 3.52Å
129	C	87.9	Confident	85.5	Confident	11 Å²	11	38 Å²	38	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-40.8	174.7	-72.5	0	0	0	0	111.5	L125 T126 K132 G133 L203	L125-C129 WeakPolarHBondContact O-CB 3.47Å; L125-C129 PolarHBondContact O-N 3.36Å; L125-C129 PolarHBondContact O-SG 3.46Å; L125-C129 VanDerWaalsContact O-SG 3.32Å; T126-C129 PolarHBondContact O-N 2.93Å; C129-K132 PolarHBondContact O-N 3.27Å; C129-G133 PolarHBondContact O-N 2.92Å; C129-L203 HydrophobicContact CB-CD1 4.01Å; C129-L203 HydrophobicContact CB-CD2 3.76Å
130	Q	87.8	Confident	84.3	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-45.7	172.3	-76.8	177.9	3.9	0	0	111.2	T126 Q127 L128 G133 V134 V171 L203 F242	T126-Q130 HydrophobicContact CG2-CG 4.5Å; T126-Q130 WeakPolarHBondContact O-CB 3.48Å; T126-Q130 VanDerWaalsContact O-CG 3.25Å; T126-Q130 WeakPolarHBondContact O-CG 3.4Å; T126-Q130 PolarHBondContact O-N 3.18Å; Q127-Q130 PolarHBondContact O-N 3Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-G133 PolarHBondContact O-N 3.44Å; Q130-V134 VanDerWaalsContact O-CG2 3.26Å; Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 3.21Å; Q130-V171 HydrophobicContact CB-CG2 4.04Å; Q130-V171 HydrophobicContact CG-CG1 4.39Å; Q130-V171 HydrophobicContact CG-CG2 4.35Å; Q130-L203 HydrophobicContact CG-CD1 3.68Å; Q130-F242 HydrophobicContact CB-CE2 4.02Å; Q130-F242 HydrophobicContact CB-CZ 3.91Å
131	Y	89.3	Confident	82.8	Confident	36 Å²	36	35.8 Å²	35.8	14%	0.141	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-44.7	178.7	-171.7	-158.7	0	0	0	112.7	Q127 L128 G133 V134 L135 F242 A243 I254 L258	Q127-Y131 PolarHBondContact O-N 2.83Å; L128-Y131 PolarHBondContact O-N 2.91Å; Y131-G133 VanDerWaalsContact C-N 3.3Å; Y131-G133 PolarHBondContact O-N 2.91Å; Y131-V134 WeakPolarHBondContact O-CB 3.42Å; Y131-V134 PolarHBondContact O-N 3.39Å; Y131-L135 HydrophobicContact CD2-CD1 4.21Å; Y131-L135 HydrophobicContact CD2-CG 4.08Å; Y131-L135 HydrophobicContact CE2-CD1 3.77Å; Y131-L135 HydrophobicContact CE2-CD2 3.99Å; Y131-L135 HydrophobicContact CE2-CG 3.8Å; Y131-L135 PolarHBondContact O-N 3.04Å; Y131-L135 VanDerWaalsContact O-N 3.1Å; Y131-F242 HydrophobicContact CD1-CD1 4.35Å; Y131-F242 HydrophobicContact CD2-CB 3.44Å; Y131-F242 VanDerWaalsContact CD2-CB 3.44Å; Y131-F242 AromaticContact CD2-CD1 3.85Å; Y131-F242 HydrophobicContact CD2-CD1 3.85Å; Y131-F242 HydrophobicContact CD2-CD2 4.31Å; Y131-F242 AromaticContact CD2-CG 3.6Å; Y131-F242 HydrophobicContact CD2-CG 3.6Å; Y131-F242 HydrophobicContact CE2-CB 3.6Å; Y131-F242 HydrophobicContact CE2-CG 4.26Å; Y131-F242 HydrophobicContact CG-CB 4.21Å; Y131-F242 AromaticContact CG-CD1 3.72Å; Y131-F242 HydrophobicContact CG-CD1 3.72Å; Y131-F242 HydrophobicContact CG-CE1 4.27Å; Y131-F242 AromaticContact CG-CG 3.96Å; Y131-F242 HydrophobicContact CG-CG 3.96Å; Y131-A243 WeakPolarHBondContact CE2-O 3.33Å; Y131-A243 PolarHBondContact OH-O 3.22Å; Y131-I254 HydrophobicContact CE1-CG2 4.11Å; Y131-L258 HydrophobicContact CD1-CD1 3.42Å; Y131-L258 VanDerWaalsContact CD1-CD1 3.42Å; Y131-L258 HydrophobicContact CD1-CD2 3.66Å; Y131-L258 HydrophobicContact CD1-CG 4.15Å; Y131-L258 HydrophobicContact CE1-CD1 3.71Å; Y131-L258 HydrophobicContact CE1-CD2 4.11Å; Y131-L258 HydrophobicContact CE1-CG 4.39Å; Y131-L258 HydrophobicContact CG-CD1 3.89Å
132	K	88	Confident	81.4	Confident	43 Å²	43	36.2 Å²	36.2	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-45.2	172.7	172.9	-176.2	157.6	177.4	0	111.3	L128 C129 L135 T136 L255 H259 I262	L128-K132 WeakPolarHBondContact O-CB 3.31Å; L128-K132 PolarHBondContact O-N 3.4Å; C129-K132 PolarHBondContact O-N 3.27Å; K132-L135 PolarHBondContact O-N 3.09Å; K132-T136 WeakPolarHBondContact O-CB 3.42Å; K132-T136 PolarHBondContact O-N 3.3Å; K132-T136 PolarHBondContact O-OG1 3.15Å; K132-L255 HydrophobicContact CG-CD2 4.35Å; K132-H259 WeakPolarHBondContact CE-CE1 3.42Å; K132-H259 WeakPolarHBondContact CE-NE2 3.34Å; K132-H259 PolarHBondContact NZ-CE1 2.95Å; K132-H259 PolarHBondContact NZ-NE2 3.42Å; K132-I262 HydrophobicContact CB-CD1 4.03Å; K132-I262 HydrophobicContact CD-CD1 3.84Å
133	G	84.8	Confident	79.8	Confident	11 Å²	11	36.4 Å²	36.4	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-44.2	178	0	0	0	0	0	112.5	C129 Q130 Y131 T136 Q137	C129-G133 PolarHBondContact O-N 2.92Å; Q130-G133 PolarHBondContact O-N 3.44Å; Y131-G133 VanDerWaalsContact C-N 3.3Å; Y131-G133 PolarHBondContact O-N 2.91Å; G133-T136 PolarHBondContact O-N 3.03Å; G133-Q137 WeakPolarHBondContact O-CB 3.47Å; G133-Q137 WeakPolarHBondContact O-CG 3.36Å; G133-Q137 PolarHBondContact O-N 3.43Å
134	V	87	Confident	77.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-54.3	174.3	172.1	0	0	0	0	110.3	Q130 Y131 T136 T138 A169 V171 V216 F242	Q130-V134 VanDerWaalsContact O-CG2 3.26Å; Q130-V134 WeakPolarHBondContact O-CG2 3.36Å; Q130-V134 PolarHBondContact O-N 3.21Å; Y131-V134 WeakPolarHBondContact O-CB 3.42Å; Y131-V134 PolarHBondContact O-N 3.39Å; V134-T136 VanDerWaalsContact C-N 3.34Å; V134-T136 PolarHBondContact O-N 2.97Å; V134-T138 HydrophobicContact CG1-CG2 4.48Å; V134-T138 WeakPolarHBondContact O-CB 3.36Å; V134-T138 WeakPolarHBondContact O-CG2 3.47Å; V134-T138 PolarHBondContact O-N 2.86Å; V134-T138 VanDerWaalsContact O-N 3.12Å; V134-T138 PolarHBondContact O-OG1 3.17Å; V134-A169 HydrophobicContact CG1-CB 3.51Å; V134-V171 HydrophobicContact CG2-CG2 3.48Å; V134-V171 VanDerWaalsContact CG2-CG2 3.48Å; V134-V216 HydrophobicContact CB-CG1 4.23Å; V134-V216 HydrophobicContact CG1-CG1 4.23Å; V134-V216 HydrophobicContact CG2-CG1 3.97Å; V134-V216 HydrophobicContact CG2-CG2 3.92Å; V134-F242 HydrophobicContact CG2-CD2 3.94Å; V134-F242 HydrophobicContact CG2-CE2 4.28Å
135	L	83.7	Confident	75.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-33.2	-175.8	-66.3	-178.2	0	0	0	113.8	Y131 K132 T138 H139 Y244 R251 I254 L255 L258	Y131-L135 HydrophobicContact CD2-CD1 4.21Å; Y131-L135 HydrophobicContact CD2-CG 4.08Å; Y131-L135 HydrophobicContact CE2-CD1 3.77Å; Y131-L135 HydrophobicContact CE2-CD2 3.99Å; Y131-L135 HydrophobicContact CE2-CG 3.8Å; Y131-L135 PolarHBondContact O-N 3.04Å; Y131-L135 VanDerWaalsContact O-N 3.1Å; K132-L135 PolarHBondContact O-N 3.09Å; L135-T138 PolarHBondContact O-OG1 2.89Å; L135-H139 PolarHBondContact O-N 3.31Å; L135-Y244 HydrophobicContact CD2-CD2 3.9Å; L135-Y244 HydrophobicContact CD2-CE2 3.94Å; L135-R251 HydrophobicContact CB-CG 4.49Å; L135-R251 HydrophobicContact CD2-CG 4.12Å; L135-I254 HydrophobicContact CD1-CG2 3.84Å; L135-L255 HydrophobicContact CB-CD1 4.3Å; L135-L255 HydrophobicContact CB-CD2 3.63Å; L135-L255 HydrophobicContact CB-CG 3.99Å; L135-L255 HydrophobicContact CD1-CD2 4.05Å; L135-L255 HydrophobicContact CD1-CG 4.09Å; L135-L255 HydrophobicContact CG-CD2 4.5Å; L135-L258 HydrophobicContact CD1-CD1 3.91Å
136	T	82.5	Confident	73.5	Confident	68 Å²	68	41.5 Å²	41.5	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-75.3	-44.5	-178.9	-55.1	0	0	0	0	111.1	K132 G133 V134 H139	K132-T136 WeakPolarHBondContact O-CB 3.42Å; K132-T136 PolarHBondContact O-N 3.3Å; K132-T136 PolarHBondContact O-OG1 3.15Å; G133-T136 PolarHBondContact O-N 3.03Å; V134-T136 VanDerWaalsContact C-N 3.34Å; V134-T136 PolarHBondContact O-N 2.97Å; T136-H139 WeakPolarHBondContact O-CB 3.14Å; T136-H139 PolarHBondContact O-N 2.82Å
137	Q	77.8	Confident	71.3	Confident	31 Å²	31	46.2 Å²	46.2	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-72.6	-32.4	-177.9	-68.3	-62.9	-19.2	0	0	112.6	G133 S140 R197 D200	G133-Q137 WeakPolarHBondContact O-CB 3.47Å; G133-Q137 WeakPolarHBondContact O-CG 3.36Å; G133-Q137 PolarHBondContact O-N 3.43Å; Q137-S140 PolarHBondContact O-OG 3.43Å; Q137-R197 PolarHBondContact O-NH1 3.16Å; Q137-D200 PolarHBondContact NE2-OD2 3.33Å
138	T	72	Confident	68.9	Low	1 Å²	1	47.2 Å²	47.2	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-79.3	-15.7	178.6	61.8	0	0	0	0	113.9	V134 L135 S140 L141 T142 V216 L218 Y244	V134-T138 HydrophobicContact CG1-CG2 4.48Å; V134-T138 WeakPolarHBondContact O-CB 3.36Å; V134-T138 WeakPolarHBondContact O-CG2 3.47Å; V134-T138 PolarHBondContact O-N 2.86Å; V134-T138 VanDerWaalsContact O-N 3.12Å; V134-T138 PolarHBondContact O-OG1 3.17Å; L135-T138 PolarHBondContact O-OG1 2.89Å; T138-S140 VanDerWaalsContact C-N 3.31Å; T138-S140 PolarHBondContact O-N 2.94Å; T138-L141 WeakPolarHBondContact O-CB 3.35Å; T138-L141 PolarHBondContact O-N 3.33Å; T138-T142 PolarHBondContact O-N 3.14Å; T138-T142 VanDerWaalsContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 3.18Å; T138-V216 HydrophobicContact CG2-CG1 4.21Å; T138-L218 HydrophobicContact CG2-CB 4.04Å; T138-L218 HydrophobicContact CG2-CD1 4.36Å; T138-L218 HydrophobicContact CG2-CD2 4.13Å; T138-L218 HydrophobicContact CG2-CG 4.41Å; T138-Y244 HydrophobicContact CG2-CE2 4.46Å; T138-Y244 WeakPolarHBondContact OG1-CE2 3.23Å; T138-Y244 PolarHBondContact OG1-OH 3.38Å
139	H	66.6	Low	66.4	Low	87 Å²	87	51.5 Å²	51.5	40%	0.403	32%	0.323	S	S	.	.	H	α-helix	trans	-55.2	-45.1	179.6	-177.4	-93.4	0	0	0	112.3	L135 T136 L141 A143	L135-H139 PolarHBondContact O-N 3.31Å; T136-H139 WeakPolarHBondContact O-CB 3.14Å; T136-H139 PolarHBondContact O-N 2.82Å; H139-L141 VanDerWaalsContact C-N 3.3Å; H139-L141 PolarHBondContact O-N 3.4Å; H139-A143 WeakPolarHBondContact O-CB 3.3Å; H139-A143 PolarHBondContact O-N 3.48Å
140	S	61	Low	64	Low	53 Å²	53	57.1 Å²	57.1	37%	0.371	36%	0.357	S	S	.	.	H	α-helix	trans	-68.6	-25.4	176.9	64.7	0	0	0	0	114	Q137 T138 S144 R197	Q137-S140 PolarHBondContact O-OG 3.43Å; T138-S140 VanDerWaalsContact C-N 3.31Å; T138-S140 PolarHBondContact O-N 2.94Å; S140-S144 PolarHBondContact O-N 3Å; S140-R197 VanDerWaalsContact OG-CZ 3.3Å; S140-R197 PolarHBondContact OG-NH1 3.04Å; S140-R197 PolarHBondContact OG-NH2 3.46Å
141	L	59.1	Low	61.5	Low	19 Å²	19	65.1 Å²	65.1	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-76.1	-46.7	-179.9	-68.4	170.8	0	0	0	110.8	T138 H139 A143 S144 Q145 D195 L218	T138-L141 WeakPolarHBondContact O-CB 3.35Å; T138-L141 PolarHBondContact O-N 3.33Å; H139-L141 VanDerWaalsContact C-N 3.3Å; H139-L141 PolarHBondContact O-N 3.4Å; L141-A143 VanDerWaalsContact C-N 3.32Å; L141-A143 PolarHBondContact O-N 3.14Å; L141-S144 PolarHBondContact O-N 2.77Å; L141-S144 PolarHBondContact O-OG 2.66Å; L141-Q145 PolarHBondContact O-N 3.22Å; L141-D195 HydrophobicContact CD1-CB 4Å; L141-L218 HydrophobicContact CB-CD2 4.46Å; L141-L218 HydrophobicContact CD1-CD2 4.43Å
142	T	61.2	Low	59	Low	39 Å²	39	71.7 Å²	71.7	24%	0.239	43%	0.431	C	S	.	.	H	α-helix	trans	-66.8	-34	176.6	-45.7	0	0	0	0	111.8	T138 S144 Q145 Y244	T138-T142 PolarHBondContact O-N 3.14Å; T138-T142 VanDerWaalsContact O-N 3.09Å; T138-T142 PolarHBondContact O-OG1 3.18Å; T142-S144 VanDerWaalsContact C-N 3.29Å; T142-S144 PolarHBondContact O-N 2.84Å; T142-Q145 PolarHBondContact O-N 2.91Å; T142-Y244 PolarHBondContact OG1-OH 3.4Å
143	A	54.8	Low	56.5	Low	78 Å²	78	73.8 Å²	73.8	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-66.8	-26.7	174.5	0	0	0	0	0	113.6	H139 L141	H139-A143 WeakPolarHBondContact O-CB 3.3Å; H139-A143 PolarHBondContact O-N 3.48Å; L141-A143 VanDerWaalsContact C-N 3.32Å; L141-A143 PolarHBondContact O-N 3.14Å
144	S	48.4	Very low	54	Low	88 Å²	88	82 Å²	82	62%	0.615	49%	0.486	S	S	*	.	H	α-helix	trans	-83.8	-20.5	178.7	74.3	0	0	0	0	114.1	S140 L141 T142 A146	S140-S144 PolarHBondContact O-N 3Å; L141-S144 PolarHBondContact O-N 2.77Å; L141-S144 PolarHBondContact O-OG 2.66Å; T142-S144 VanDerWaalsContact C-N 3.29Å; T142-S144 PolarHBondContact O-N 2.84Å; S144-A146 PolarHBondContact O-N 2.82Å
145	Q	47.9	Very low	51.7	Low	86 Å²	86	85.4 Å²	85.4	40%	0.402	52%	0.521	S	S	.	.			trans	-99.6	66.9	179.1	-68.7	-178.2	-2.4	0	0	110.1	L141 T142	L141-Q145 PolarHBondContact O-N 3.22Å; T142-Q145 PolarHBondContact O-N 2.91Å
146	A	37.8	Very low	49.9	Very low	79 Å²	79	93.3 Å²	93.3	65%	0.653	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.5	150.5	0	0	0	0	0	107.5	S144	S144-A146 PolarHBondContact O-N 2.82Å
147	P	40.8	Very low	47.8	Very low	114 Å²	114	100.6 Å²	100.6	74%	0.74	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-55.1	139.7	174.5	22.9	-31	0	0	0	108.9
148	P	39	Very low	46.1	Very low	113 Å²	113	106.9 Å²	106.9	73%	0.734	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.9	173.3	23.2	-31.3	0	0	0	108.6	V150	P148-V150 PolarHBondContact O-N 3.06Å
149	P	36.3	Very low	44.5	Very low	123 Å²	123	115.8 Å²	115.8	80%	0.799	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-56.6	128.8	175.6	23.7	-30.8	0	0	0	108.2	L151	P149-L151 PolarHBondContact O-N 3.48Å
150	V	38.6	Very low	43.2	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	69%	0.69	S	S	*	*			trans	-51.9	113.1	175.3	176.1	0	0	0	0	108.1	P148 E152	P148-V150 PolarHBondContact O-N 3.06Å; V150-E152 PolarHBondContact O-N 3.43Å; V150-E152 VanDerWaalsContact O-N 3.15Å
151	L	36	Very low	42.4	Very low	169 Å²	169	129.3 Å²	129.3	89%	0.885	71%	0.711	S	S	*	*			trans	-72.9	99.8	165.7	-162.2	85.5	0	0	0	106.7	P149 S153	P149-L151 PolarHBondContact O-N 3.48Å; L151-S153 PolarHBondContact O-N 2.98Å
152	E	36.3	Very low	41.7	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	74%	0.741	S	S	*	*			trans	-60	111.1	165.2	-70.8	-179.2	156.5	0	0	108	V150	V150-E152 PolarHBondContact O-N 3.43Å; V150-E152 VanDerWaalsContact O-N 3.15Å
153	S	34.9	Very low	41.5	Very low	87 Å²	87	139.9 Å²	139.9	61%	0.608	77%	0.765	S	S	*	*				147.2	149.6	95.2	59.4	0	0	0	0	105.5	L151	L151-S153 PolarHBondContact O-N 2.98Å
154	H	33.1	Very low	41.9	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.856	77%	0.769	S	S	*	*			cis	-159	150.5	26.5	-89.6	-73.9	0	0	0	109.8
155	G	38.9	Very low	43.1	Very low	71 Å²	71	144.1 Å²	144.1	73%	0.732	76%	0.755	S	S	*	*			trans	106.6	106.4	142.5	0	0	0	0	0	118.7
156	L	45.1	Very low	44.6	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	75%	0.747	S	S	*	*			trans	61.1	84.3	150.8	-69	156.3	0	0	0	117.9
157	F	38.6	Very low	46.7	Very low	220 Å²	220	140 Å²	140	97%	0.965	73%	0.726	S	S	*	*			trans	-164.7	102.9	135.9	-93.9	-69.2	0	0	0	108.7	H159	F157-H159 PolarHBondContact O-N 3.47Å
158	D	42.4	Very low	48.9	Very low	163 Å²	163	135.2 Å²	135.2	87%	0.872	69%	0.694	S	S	*	*			trans	-91.1	79.1	-177.5	-156.3	11.5	0	0	0	109.6
159	H	38.6	Very low	51.2	Low	188 Å²	188	129.9 Å²	129.9	87%	0.87	66%	0.659	S	S	*	*			trans	-157.8	78.4	163.6	-87.6	-29.7	0	0	0	109.6	F157 Q161	F157-H159 PolarHBondContact O-N 3.47Å; H159-Q161 PolarHBondContact O-N 2.91Å; H159-Q161 VanDerWaalsContact O-N 3.1Å
160	R	39.3	Very low	53.8	Low	249 Å²	249	124 Å²	124	94%	0.94	62%	0.621	S	S	*	*			trans	-74.2	90	163.7	-83	-176.1	174.8	178.4	-0.8	109.1
161	Q	43.1	Very low	56.2	Low	175 Å²	175	118 Å²	118	82%	0.818	59%	0.585	S	S	*	*			trans	-76.1	129.2	147.6	-81	179.1	-19.7	0	0	107	H159 I163	H159-Q161 PolarHBondContact O-N 2.91Å; H159-Q161 VanDerWaalsContact O-N 3.1Å; Q161-I163 PolarHBondContact O-N 3.46Å
162	D	45.2	Very low	58.8	Low	137 Å²	137	110 Å²	110	73%	0.733	54%	0.543	S	S	*	.			trans	-49.5	104.7	176.9	-77.2	-27.1	0	0	0	110.8	R164	D162-R164 VanDerWaalsContact C-N 3.26Å; D162-R164 HydrophobicContact CB-CG 4.38Å; D162-R164 PolarHBondContact O-N 3.27Å
163	I	57.1	Low	61.2	Low	144 Å²	144	104.1 Å²	104.1	74%	0.738	52%	0.516	S	S	*	.			trans	-74	86.1	171	-57.9	173.7	0	0	0	106.7	Q161 W222	Q161-I163 PolarHBondContact O-N 3.46Å; I163-W222 HydrophobicContact CG2-CG 4.46Å
164	R	63.6	Low	63.6	Low	194 Å²	194	102.3 Å²	102.3	73%	0.732	50%	0.501	S	S	*	.			trans	-76	122.2	173.6	-70.5	-172.3	179.6	-172.9	-1.4	109.7	D162	D162-R164 VanDerWaalsContact C-N 3.26Å; D162-R164 HydrophobicContact CB-CG 4.38Å; D162-R164 PolarHBondContact O-N 3.27Å
165	L	72.8	Confident	66.3	Low	60 Å²	60	102.2 Å²	102.2	31%	0.314	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.7	172	-172.7	74.3	0	0	0	108.4	F167 W222	L165-F167 HydrophobicContact CD2-CE1 3.91Å; L165-F167 HydrophobicContact CD2-CE2 4.15Å; L165-F167 HydrophobicContact CD2-CZ 3.43Å; L165-F167 VanDerWaalsContact CD2-CZ 3.43Å; L165-F167 HydrophobicContact CG-CE1 4.41Å; L165-F167 HydrophobicContact CG-CE2 4.44Å; L165-F167 HydrophobicContact CG-CZ 4.07Å; L165-W222 HydrophobicContact CD1-CZ2 4.33Å
166	S	78.9	Confident	68.7	Low	34 Å²	34	101.6 Å²	101.6	24%	0.238	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147	176.7	-65.8	0	0	0	0	110.8	S220 F221	S166-S220 WeakPolarHBondContact O-CA 3.5Å; S166-F221 PolarHBondContact N-O 3.08Å; S166-F221 PolarHBondContact O-N 3.46Å; S166-F221 VanDerWaalsContact O-N 3.12Å
167	F	83.1	Confident	70.7	Confident	46 Å²	46	94.7 Å²	94.7	20%	0.202	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.6	-178.3	-58.7	-81.8	0	0	0	111.1	L165 L218 I219 Y244	L165-F167 HydrophobicContact CD2-CE1 3.91Å; L165-F167 HydrophobicContact CD2-CE2 4.15Å; L165-F167 HydrophobicContact CD2-CZ 3.43Å; L165-F167 VanDerWaalsContact CD2-CZ 3.43Å; L165-F167 HydrophobicContact CG-CE1 4.41Å; L165-F167 HydrophobicContact CG-CE2 4.44Å; L165-F167 HydrophobicContact CG-CZ 4.07Å; F167-L218 HydrophobicContact CB-CD1 4.23Å; F167-L218 HydrophobicContact CD1-CD1 4.18Å; F167-L218 HydrophobicContact CD1-CG 4.5Å; F167-I219 WeakPolarHBondContact CA-O 3.35Å; F167-Y244 HydrophobicContact CB-CD1 3.78Å; F167-Y244 HydrophobicContact CB-CG 4.3Å; F167-Y244 HydrophobicContact CD2-CD1 4.16Å; F167-Y244 HydrophobicContact CD2-CE1 4.5Å; F167-Y244 HydrophobicContact CG-CD1 4.02Å; F167-Y244 HydrophobicContact CG-CE1 4.39Å
168	V	86.9	Confident	73.2	Confident	13 Å²	13	87.5 Å²	87.5	8%	0.079	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.6	164.5	164.2	0	0	0	0	107.4	F217 I219 F221 V230 T241	V168-F217 HydrophobicContact CG1-CE2 4.44Å; V168-I219 PolarHBondContact N-O 3.45Å; V168-I219 PolarHBondContact O-N 3.35Å; V168-F221 HydrophobicContact CB-CE1 4.14Å; V168-F221 HydrophobicContact CG2-CE1 3.59Å; V168-F221 HydrophobicContact CG2-CZ 4.17Å; V168-V230 HydrophobicContact CG1-CG1 4.42Å; V168-T241 HydrophobicContact CG1-CG2 4.29Å
169	A	87.2	Confident	75.5	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.2	177.9	0	0	0	0	0	110	V134 F217 L218 T241 F242 Y244	V134-A169 HydrophobicContact CG1-CB 3.51Å; A169-F217 WeakPolarHBondContact CA-O 3.36Å; A169-L218 HydrophobicContact CB-CD1 3.89Å; A169-T241 WeakPolarHBondContact O-CA 3.44Å; A169-F242 PolarHBondContact O-N 3.49Å; A169-Y244 HydrophobicContact CB-CD2 4Å; A169-Y244 HydrophobicContact CB-CG 4.41Å
170	G	89.4	Confident	78	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-176.1	-179.4	0	0	0	0	0	113	V216 F217 Q240	G170-V216 WeakPolarHBondContact O-CA 3.21Å; G170-F217 PolarHBondContact N-O 3.05Å; G170-F217 WeakPolarHBondContact O-CD1 3.21Å; G170-F217 PolarHBondContact O-N 2.99Å; G170-Q240 CarbonylContact C-O 3.5Å; G170-Q240 WeakPolarHBondContact CA-O 3.28Å
171	V	89.3	Confident	80.3	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.7	-177.8	-178.6	0	0	0	0	110.2	Q130 V134 W214 T215 V216 T239 Q240 F242	Q130-V171 HydrophobicContact CB-CG2 4.04Å; Q130-V171 HydrophobicContact CG-CG1 4.39Å; Q130-V171 HydrophobicContact CG-CG2 4.35Å; V134-V171 HydrophobicContact CG2-CG2 3.48Å; V134-V171 VanDerWaalsContact CG2-CG2 3.48Å; V171-W214 HydrophobicContact CG1-CB 3.53Å; V171-W214 HydrophobicContact CG1-CD2 3.95Å; V171-W214 HydrophobicContact CG1-CE3 3.6Å; V171-W214 HydrophobicContact CG1-CG 3.97Å; V171-T215 WeakPolarHBondContact CA-O 3.24Å; V171-V216 HydrophobicContact CG2-CG2 4.25Å; V171-T239 WeakPolarHBondContact O-CB 3.33Å; V171-Q240 PolarHBondContact N-O 3.17Å; V171-Q240 PolarHBondContact O-N 2.95Å; V171-F242 HydrophobicContact CG2-CE2 4.08Å
172	V	90.2	Very high	82.4	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.2	179.2	65.4	0	0	0	0	110	K176 V177 T215 F217 T239	V172-K176 HydrophobicContact CG2-CB 3.77Å; V172-V177 HydrophobicContact CG1-CG2 3.63Å; V172-T215 PolarHBondContact N-O 3.35Å; V172-T215 PolarHBondContact O-N 2.98Å; V172-F217 HydrophobicContact CB-CD1 4.05Å; V172-F217 HydrophobicContact CB-CE1 4.14Å; V172-F217 HydrophobicContact CG1-CD1 3.91Å; V172-F217 HydrophobicContact CG1-CE1 4.49Å; V172-T239 HydrophobicContact CB-CG2 3.87Å; V172-T239 HydrophobicContact CG2-CG2 3.82Å
173	H	87.6	Confident	84.5	Confident	50 Å²	50	61.9 Å²	61.9	23%	0.231	29%	0.293	C	S	.	.			trans	-72.2	137	175.4	-166	-50.7	0	0	0	110	W175 K176 W214	H173-W175 AromaticContact CD2-NE1 3.81Å; H173-W175 AromaticContact CE1-CD1 3.61Å; H173-W175 AromaticContact CE1-NE1 3.89Å; H173-W175 AromaticContact CG-CD1 3.31Å; H173-W175 AromaticContact CG-NE1 3.38Å; H173-W175 AromaticContact ND1-CD1 2.98Å; H173-W175 AromaticContact ND1-CG 3.95Å; H173-W175 AromaticContact ND1-NE1 3.49Å; H173-W175 PolarHBondContact ND1-NE1 2.86Å; H173-W175 PolarHBondContact O-N 2.9Å; H173-W175 VanDerWaalsContact O-N 3.13Å; H173-K176 WeakPolarHBondContact O-CB 3.32Å; H173-K176 PolarHBondContact O-N 3.37Å; H173-W214 HydrophobicContact CB-CE3 4.42Å; H173-W214 HydrophobicContact CB-CZ3 4.01Å
174	P	86.1	Confident	85.9	Confident	48 Å²	48	55.1 Å²	55.1	31%	0.312	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-46.7	-46.8	-174	-34.1	31.3	0	0	0	116.3	K176 V177 Q213	P174-K176 VanDerWaalsContact C-N 3.25Å; P174-K176 PolarHBondContact O-N 3.47Å; P174-V177 WeakPolarHBondContact O-CB 3.27Å; P174-V177 VanDerWaalsContact O-CG2 3.31Å; P174-V177 WeakPolarHBondContact O-CG2 3.21Å; P174-V177 PolarHBondContact O-N 3.4Å; P174-V177 VanDerWaalsContact O-N 3.15Å; P174-Q213 VanDerWaalsContact CD-O 3.27Å; P174-Q213 WeakPolarHBondContact CD-O 3.4Å; P174-Q213 WeakPolarHBondContact CG-O 3.46Å
175	W	88.2	Confident	86.9	Confident	184 Å²	184	54.7 Å²	54.7	70%	0.697	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.3	179.4	74.4	-44.5	0	0	0	115.1	H173	H173-W175 AromaticContact CD2-NE1 3.81Å; H173-W175 AromaticContact CE1-CD1 3.61Å; H173-W175 AromaticContact CE1-NE1 3.89Å; H173-W175 AromaticContact CG-CD1 3.31Å; H173-W175 AromaticContact CG-NE1 3.38Å; H173-W175 AromaticContact ND1-CD1 2.98Å; H173-W175 AromaticContact ND1-CG 3.95Å; H173-W175 AromaticContact ND1-NE1 3.49Å; H173-W175 PolarHBondContact ND1-NE1 2.86Å; H173-W175 PolarHBondContact O-N 2.9Å; H173-W175 VanDerWaalsContact O-N 3.13Å
176	K	89.7	Confident	87.6	Confident	58 Å²	58	60.8 Å²	60.8	25%	0.252	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-82.3	-18.1	178.6	-74	176.7	177.9	-175.6	0	112	V172 H173 P174 S179 F180 F237	V172-K176 HydrophobicContact CG2-CB 3.77Å; H173-K176 WeakPolarHBondContact O-CB 3.32Å; H173-K176 PolarHBondContact O-N 3.37Å; P174-K176 VanDerWaalsContact C-N 3.25Å; P174-K176 PolarHBondContact O-N 3.47Å; K176-S179 PolarHBondContact O-N 3.39Å; K176-F180 WeakPolarHBondContact O-CB 3.45Å; K176-F180 PolarHBondContact O-N 3.31Å; K176-F237 HydrophobicContact CB-CD1 4.48Å; K176-F237 PolarHBondContact NZ-O 2.95Å
177	V	88.5	Confident	87.8	Confident	21 Å²	21	61.2 Å²	61.2	13%	0.127	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-51.1	-174.3	177.2	0	0	0	0	112.6	V172 P174 S179 F180 E181 F196 T215	V172-V177 HydrophobicContact CG1-CG2 3.63Å; P174-V177 WeakPolarHBondContact O-CB 3.27Å; P174-V177 VanDerWaalsContact O-CG2 3.31Å; P174-V177 WeakPolarHBondContact O-CG2 3.21Å; P174-V177 PolarHBondContact O-N 3.4Å; P174-V177 VanDerWaalsContact O-N 3.15Å; V177-S179 VanDerWaalsContact C-N 3.28Å; V177-S179 PolarHBondContact O-N 2.75Å; V177-F180 PolarHBondContact O-N 3.07Å; V177-E181 WeakPolarHBondContact O-CB 3.24Å; V177-E181 PolarHBondContact O-N 3.5Å; V177-F196 HydrophobicContact CG1-CD1 3.93Å; V177-F196 HydrophobicContact CG1-CD2 4.25Å; V177-F196 HydrophobicContact CG1-CE1 4.07Å; V177-F196 HydrophobicContact CG1-CE2 4.37Å; V177-F196 HydrophobicContact CG1-CG 4.03Å; V177-F196 HydrophobicContact CG1-CZ 4.28Å; V177-T215 HydrophobicContact CG2-CG2 4.13Å
178	P	89.9	Confident	87.7	Confident	68 Å²	68	59.3 Å²	59.3	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-29.3	-175.2	-20.5	33.8	0	0	0	113.4	R182	P178-R182 WeakPolarHBondContact O-CB 3.2Å; P178-R182 VanDerWaalsContact O-CG 3.23Å; P178-R182 WeakPolarHBondContact O-CG 3.43Å; P178-R182 PolarHBondContact O-N 2.82Å; P178-R182 PolarHBondContact O-NE 3.24Å
179	S	91.1	Very high	87.1	Confident	52 Å²	52	68.8 Å²	68.8	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-80.6	-36.6	177.6	-64.6	0	0	0	0	111.7	K176 V177 R182 L183	K176-S179 PolarHBondContact O-N 3.39Å; V177-S179 VanDerWaalsContact C-N 3.28Å; V177-S179 PolarHBondContact O-N 2.75Å; S179-R182 PolarHBondContact OG-NH2 3.39Å; S179-L183 PolarHBondContact O-N 2.73Å; S179-L183 VanDerWaalsContact O-N 3.16Å
180	F	90.8	Very high	86.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-48.7	175.7	-177.2	-114	0	0	0	111.6	K176 V177 R182 L183 L184 F196 F217 I219 I233 F237 T239	K176-F180 WeakPolarHBondContact O-CB 3.45Å; K176-F180 PolarHBondContact O-N 3.31Å; V177-F180 PolarHBondContact O-N 3.07Å; F180-R182 PolarHBondContact O-N 3.21Å; F180-L183 PolarHBondContact O-N 2.92Å; F180-L184 HydrophobicContact CD1-CD1 3.75Å; F180-L184 HydrophobicContact CD2-CD1 4.48Å; F180-L184 HydrophobicContact CE1-CD1 3.38Å; F180-L184 HydrophobicContact CE1-CG 4.47Å; F180-L184 HydrophobicContact CE2-CD1 4.19Å; F180-L184 HydrophobicContact CG-CD1 4.3Å; F180-L184 HydrophobicContact CZ-CD1 3.63Å; F180-L184 HydrophobicContact CZ-CG 4.37Å; F180-L184 PolarHBondContact O-N 3.06Å; F180-F196 AromaticContact CD1-CE1 3.82Å; F180-F196 HydrophobicContact CD1-CE1 3.82Å; F180-F196 AromaticContact CD1-CZ 3.87Å; F180-F196 HydrophobicContact CD1-CZ 3.87Å; F180-F196 HydrophobicContact CE1-CE1 4.15Å; F180-F196 HydrophobicContact CE1-CZ 4.34Å; F180-F217 HydrophobicContact CE1-CD1 4.18Å; F180-F217 HydrophobicContact CE1-CD2 4.27Å; F180-F217 HydrophobicContact CE1-CE1 4.3Å; F180-F217 HydrophobicContact CE1-CE2 4.39Å; F180-F217 HydrophobicContact CE1-CG 4.15Å; F180-F217 HydrophobicContact CE1-CZ 4.4Å; F180-F217 HydrophobicContact CZ-CE1 4.37Å; F180-F217 HydrophobicContact CZ-CE2 4.25Å; F180-F217 HydrophobicContact CZ-CZ 4.14Å; F180-I219 HydrophobicContact CE1-CD1 4.3Å; F180-I219 HydrophobicContact CZ-CD1 4.22Å; F180-I233 HydrophobicContact CD2-CG2 4.06Å; F180-I233 HydrophobicContact CE2-CG2 3.75Å; F180-F237 HydrophobicContact CB-CD1 4.31Å; F180-F237 HydrophobicContact CB-CE1 4.25Å; F180-F237 HydrophobicContact CB-CZ 4.39Å; F180-F237 HydrophobicContact CD2-CB 4.05Å; F180-F237 HydrophobicContact CD2-CD1 4.34Å; F180-F237 AromaticContact CD2-CD2 3.57Å; F180-F237 HydrophobicContact CD2-CD2 3.57Å; F180-F237 HydrophobicContact CD2-CE2 4.01Å; F180-F237 AromaticContact CD2-CG 3.73Å; F180-F237 HydrophobicContact CD2-CG 3.73Å; F180-F237 HydrophobicContact CE2-CB 4.44Å; F180-F237 HydrophobicContact CE2-CD2 4.24Å; F180-F237 HydrophobicContact CE2-CG 4.49Å; F180-T239 HydrophobicContact CE2-CG2 4.3Å
181	E	87.9	Confident	85.7	Confident	103 Å²	103	78 Å²	78	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-47.8	176.9	-175.7	-176.6	-174.4	0	0	111.9	V177 L183 L184 W185 F196	V177-E181 WeakPolarHBondContact O-CB 3.24Å; V177-E181 PolarHBondContact O-N 3.5Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 2.94Å; E181-L184 PolarHBondContact O-N 3.49Å; E181-W185 WeakPolarHBondContact O-CB 3.44Å; E181-W185 PolarHBondContact O-N 3.07Å; E181-F196 HydrophobicContact CB-CE2 3.9Å; E181-F196 HydrophobicContact CB-CZ 4.08Å; E181-F196 HydrophobicContact CG-CE2 3.94Å
182	R	87.7	Confident	85.3	Confident	156 Å²	156	78.9 Å²	78.9	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-38	178.2	-76.6	-178	-67.3	173.6	0.9	112.7	P178 S179 F180 R186	P178-R182 WeakPolarHBondContact O-CB 3.2Å; P178-R182 VanDerWaalsContact O-CG 3.23Å; P178-R182 WeakPolarHBondContact O-CG 3.43Å; P178-R182 PolarHBondContact O-N 2.82Å; P178-R182 PolarHBondContact O-NE 3.24Å; S179-R182 PolarHBondContact OG-NH2 3.39Å; F180-R182 PolarHBondContact O-N 3.21Å; R182-R186 WeakPolarHBondContact O-CB 3.23Å; R182-R186 WeakPolarHBondContact O-CG 3.41Å; R182-R186 PolarHBondContact O-N 3.2Å; R182-R186 VanDerWaalsContact O-N 3.13Å
183	L	88.9	Confident	85	Confident	64 Å²	64	82.1 Å²	82.1	34%	0.335	38%	0.38	S	S	.	.	H	α-helix	trans	-72.6	-43.9	178.6	-170.9	67.2	0	0	0	111.7	S179 F180 E181 W185 R186 A187 I233 F237	S179-L183 PolarHBondContact O-N 2.73Å; S179-L183 VanDerWaalsContact O-N 3.16Å; F180-L183 PolarHBondContact O-N 2.92Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 2.94Å; L183-W185 VanDerWaalsContact C-N 3.31Å; L183-W185 PolarHBondContact O-N 3.4Å; L183-R186 PolarHBondContact O-N 2.66Å; L183-A187 WeakPolarHBondContact O-CB 3.28Å; L183-A187 PolarHBondContact O-N 2.96Å; L183-I233 HydrophobicContact CD2-CG1 4.19Å; L183-I233 HydrophobicContact CD2-CG2 4.06Å; L183-F237 HydrophobicContact CB-CE2 4.24Å; L183-F237 HydrophobicContact CB-CZ 4.46Å; L183-F237 HydrophobicContact CD2-CE2 3.62Å; L183-F237 HydrophobicContact CD2-CZ 4.36Å
184	L	87.1	Confident	84.8	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-56.4	-46.4	175.4	-81.3	172.9	0	0	0	111.2	F180 E181 A187 C188 I192 V194 I219 V230 I233	F180-L184 HydrophobicContact CD1-CD1 3.75Å; F180-L184 HydrophobicContact CD2-CD1 4.48Å; F180-L184 HydrophobicContact CE1-CD1 3.38Å; F180-L184 HydrophobicContact CE1-CG 4.47Å; F180-L184 HydrophobicContact CE2-CD1 4.19Å; F180-L184 HydrophobicContact CG-CD1 4.3Å; F180-L184 HydrophobicContact CZ-CD1 3.63Å; F180-L184 HydrophobicContact CZ-CG 4.37Å; F180-L184 PolarHBondContact O-N 3.06Å; E181-L184 PolarHBondContact O-N 3.49Å; L184-A187 PolarHBondContact O-N 3.3Å; L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.01Å; L184-I192 HydrophobicContact CB-CD1 3.75Å; L184-I192 HydrophobicContact CD2-CD1 4.15Å; L184-I192 HydrophobicContact CG-CD1 4.44Å; L184-V194 HydrophobicContact CD1-CG2 4.33Å; L184-I219 HydrophobicContact CD1-CD1 3.72Å; L184-I219 HydrophobicContact CD1-CG1 4.49Å; L184-I219 HydrophobicContact CD2-CD1 4.3Å; L184-V230 HydrophobicContact CD2-CG1 4.4Å; L184-V230 HydrophobicContact CD2-CG2 4.28Å; L184-I233 HydrophobicContact CD2-CB 4.37Å; L184-I233 HydrophobicContact CD2-CD1 4.01Å; L184-I233 HydrophobicContact CD2-CG2 4Å; L184-I233 HydrophobicContact CG-CG2 4.14Å
185	W	84.3	Confident	84.6	Confident	186 Å²	186	81.8 Å²	81.8	71%	0.705	38%	0.379	S	S	*	.	H	α-helix	trans	-62.9	-44.8	178	-165.7	88	0	0	0	112.4	E181 L183 R189	E181-W185 WeakPolarHBondContact O-CB 3.44Å; E181-W185 PolarHBondContact O-N 3.07Å; L183-W185 VanDerWaalsContact C-N 3.31Å; L183-W185 PolarHBondContact O-N 3.4Å; W185-R189 PolarHBondContact O-N 3.48Å
186	R	86.1	Confident	84.6	Confident	188 Å²	188	75.5 Å²	75.5	71%	0.709	36%	0.357	S	S	*	.	H	α-helix	trans	-65.4	-39.7	178.9	-74.6	174.6	70.4	-174.9	2.7	113.2	R182 L183	R182-R186 WeakPolarHBondContact O-CB 3.23Å; R182-R186 WeakPolarHBondContact O-CG 3.41Å; R182-R186 PolarHBondContact O-N 3.2Å; R182-R186 VanDerWaalsContact O-N 3.13Å; L183-R186 PolarHBondContact O-N 2.66Å
187	A	84.9	Confident	84.3	Confident	43 Å²	43	76.9 Å²	76.9	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-80.2	-37	-175.1	0	0	0	0	0	112.9	L183 L184 I233	L183-A187 WeakPolarHBondContact O-CB 3.28Å; L183-A187 PolarHBondContact O-N 2.96Å; L184-A187 PolarHBondContact O-N 3.3Å; A187-I233 HydrophobicContact CB-CD1 3.78Å
188	C	80.3	Confident	84.2	Confident	5 Å²	5	81.5 Å²	81.5	3%	0.034	38%	0.381	C	S	.	.	H	α-helix	trans	-104.7	0.3	-173.3	-63.5	0	0	0	0	114.5	L184 G190 Y191 I192	L184-C188 WeakPolarHBondContact O-CB 3.4Å; L184-C188 PolarHBondContact O-N 3.01Å; C188-G190 VanDerWaalsContact C-N 3.31Å; C188-G190 PolarHBondContact O-N 2.92Å; C188-Y191 WeakPolarHBondContact O-CB 3.32Å; C188-Y191 VanDerWaalsContact O-CD2 3.25Å; C188-Y191 WeakPolarHBondContact O-CD2 3.38Å; C188-Y191 PolarHBondContact O-N 3.37Å; C188-I192 HydrophobicContact CB-CD1 3.82Å; C188-I192 HydrophobicContact CB-CG1 3.97Å; C188-I192 HydrophobicContact CB-CG2 3.76Å
189	R	74.9	Confident	83.8	Confident	212 Å²	212	78.6 Å²	78.6	80%	0.8	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	48.7	168.4	-64.2	-168.6	178	-172.2	-0.1	115.1	W185 Y191	W185-R189 PolarHBondContact O-N 3.48Å; R189-Y191 PolarHBondContact O-N 2.9Å
190	G	68.6	Low	83	Confident	51 Å²	51	82.6 Å²	82.6	53%	0.526	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	1.3	175.3	0	0	0	0	0	116.4	C188 I192	C188-G190 VanDerWaalsContact C-N 3.31Å; C188-G190 PolarHBondContact O-N 2.92Å; G190-I192 PolarHBondContact O-N 3.38Å
191	Y	77.4	Confident	82.4	Confident	144 Å²	144	87.4 Å²	87.4	57%	0.565	40%	0.401	S	S	*	.	S	Bend	trans	-84.4	19.1	174.5	-62.5	-74.6	0	0	0	113.9	C188 R189 W222 I226	C188-Y191 WeakPolarHBondContact O-CB 3.32Å; C188-Y191 VanDerWaalsContact O-CD2 3.25Å; C188-Y191 WeakPolarHBondContact O-CD2 3.38Å; C188-Y191 PolarHBondContact O-N 3.37Å; R189-Y191 PolarHBondContact O-N 2.9Å; Y191-W222 VanDerWaalsContact C-CZ3 3.48Å; Y191-W222 WeakPolarHBondContact O-CZ3 3.37Å; Y191-I226 HydrophobicContact CD2-CD1 4.47Å; Y191-I226 HydrophobicContact CG-CD1 4.1Å
192	I	81.7	Confident	82	Confident	20 Å²	20	90.7 Å²	90.7	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145	179	60.5	174	0	0	0	109.7	L184 C188 G190 V194 I219 S220 F221 I226 V230	L184-I192 HydrophobicContact CB-CD1 3.75Å; L184-I192 HydrophobicContact CD2-CD1 4.15Å; L184-I192 HydrophobicContact CG-CD1 4.44Å; C188-I192 HydrophobicContact CB-CD1 3.82Å; C188-I192 HydrophobicContact CB-CG1 3.97Å; C188-I192 HydrophobicContact CB-CG2 3.76Å; G190-I192 PolarHBondContact O-N 3.38Å; I192-V194 HydrophobicContact CB-CG2 4.45Å; I192-V194 HydrophobicContact CD1-CG2 3.68Å; I192-V194 HydrophobicContact CG1-CG2 4.03Å; I192-I219 HydrophobicContact CB-CG2 4.23Å; I192-I219 HydrophobicContact CG2-CG2 4.37Å; I192-S220 VanDerWaalsContact CA-O 3.3Å; I192-S220 WeakPolarHBondContact CA-O 3.27Å; I192-F221 HydrophobicContact CG2-CB 3.84Å; I192-I226 HydrophobicContact CG2-CG2 3.9Å; I192-V230 HydrophobicContact CG2-CG2 4.33Å
193	I	82.9	Confident	81.6	Confident	70 Å²	70	84 Å²	84	36%	0.359	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.1	166	-55	170	0	0	0	106.2	I219 S220 W222	I193-I219 WeakPolarHBondContact O-CA 3.39Å; I193-S220 WeakPolarHBondContact CB-OG 3.12Å; I193-S220 PolarHBondContact N-O 3.34Å; I193-S220 PolarHBondContact O-N 2.74Å; I193-W222 HydrophobicContact CD1-CH2 3.92Å; I193-W222 HydrophobicContact CD1-CZ2 4.26Å; I193-W222 HydrophobicContact CG1-CH2 3.99Å
194	V	83.8	Confident	80.8	Confident	39 Å²	39	84.2 Å²	84.2	24%	0.236	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.7	-177.4	-172.7	0	0	0	0	108.4	L184 I192 F196 L218 I219	L184-V194 HydrophobicContact CD1-CG2 4.33Å; I192-V194 HydrophobicContact CB-CG2 4.45Å; I192-V194 HydrophobicContact CD1-CG2 3.68Å; I192-V194 HydrophobicContact CG1-CG2 4.03Å; V194-F196 HydrophobicContact CB-CE2 4.42Å; V194-F196 HydrophobicContact CG1-CD2 4.1Å; V194-F196 HydrophobicContact CG1-CE1 4.14Å; V194-F196 HydrophobicContact CG1-CE2 3.45Å; V194-F196 VanDerWaalsContact CG1-CE2 3.45Å; V194-F196 HydrophobicContact CG1-CZ 3.47Å; V194-F196 VanDerWaalsContact CG1-CZ 3.47Å; V194-L218 WeakPolarHBondContact CA-O 3.45Å; V194-I219 HydrophobicContact CB-CG1 4.46Å; V194-I219 HydrophobicContact CG1-CG1 3.96Å; V194-I219 HydrophobicContact CG2-CG1 4.06Å; V194-I219 HydrophobicContact CG2-CG2 4.28Å
195	D	82.8	Confident	80.1	Confident	53 Å²	53	85.9 Å²	85.9	28%	0.283	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.2	172.7	-72.1	-51.1	0	0	0	109.6	L141 F217 L218	L141-D195 HydrophobicContact CD1-CB 4Å; D195-F217 CarbonylContact O-C 3.5Å; D195-F217 VanDerWaalsContact O-CA 3.24Å; D195-F217 WeakPolarHBondContact O-CA 3.47Å; D195-L218 PolarHBondContact N-O 3.41Å; D195-L218 PolarHBondContact O-N 3.06Å
196	F	86.8	Confident	79.3	Confident	52 Å²	52	80.2 Å²	80.2	23%	0.228	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.6	173.6	-63.4	-78.5	0	0	0	109.9	V177 F180 E181 V194 T215 V216 F217	V177-F196 HydrophobicContact CG1-CD1 3.93Å; V177-F196 HydrophobicContact CG1-CD2 4.25Å; V177-F196 HydrophobicContact CG1-CE1 4.07Å; V177-F196 HydrophobicContact CG1-CE2 4.37Å; V177-F196 HydrophobicContact CG1-CG 4.03Å; V177-F196 HydrophobicContact CG1-CZ 4.28Å; F180-F196 AromaticContact CD1-CE1 3.82Å; F180-F196 HydrophobicContact CD1-CE1 3.82Å; F180-F196 AromaticContact CD1-CZ 3.87Å; F180-F196 HydrophobicContact CD1-CZ 3.87Å; F180-F196 HydrophobicContact CE1-CE1 4.15Å; F180-F196 HydrophobicContact CE1-CZ 4.34Å; E181-F196 HydrophobicContact CB-CE2 3.9Å; E181-F196 HydrophobicContact CB-CZ 4.08Å; E181-F196 HydrophobicContact CG-CE2 3.94Å; V194-F196 HydrophobicContact CB-CE2 4.42Å; V194-F196 HydrophobicContact CG1-CD2 4.1Å; V194-F196 HydrophobicContact CG1-CE1 4.14Å; V194-F196 HydrophobicContact CG1-CE2 3.45Å; V194-F196 VanDerWaalsContact CG1-CE2 3.45Å; V194-F196 HydrophobicContact CG1-CZ 3.47Å; V194-F196 VanDerWaalsContact CG1-CZ 3.47Å; F196-T215 HydrophobicContact CB-CG2 4.03Å; F196-T215 HydrophobicContact CD1-CG2 4.33Å; F196-V216 CarbonylContact C-O 3.48Å; F196-V216 WeakPolarHBondContact CA-O 3.39Å; F196-F217 HydrophobicContact CD1-CB 3.63Å; F196-F217 HydrophobicContact CE1-CB 3.63Å; F196-F217 HydrophobicContact CE1-CG 4.44Å
197	R	84.9	Confident	78.4	Confident	86 Å²	86	78.1 Å²	78.1	33%	0.325	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.2	172.8	-72.4	-163.7	176.2	-170.2	6.4	111.1	Q137 S140 T215 V216	Q137-R197 PolarHBondContact O-NH1 3.16Å; S140-R197 VanDerWaalsContact OG-CZ 3.3Å; S140-R197 PolarHBondContact OG-NH1 3.04Å; S140-R197 PolarHBondContact OG-NH2 3.46Å; R197-T215 CarbonylContact O-C 3.47Å; R197-T215 WeakPolarHBondContact O-CA 3.46Å; R197-T215 WeakPolarHBondContact O-CG2 3.4Å; R197-V216 PolarHBondContact N-O 3.29Å; R197-V216 PolarHBondContact O-N 3.46Å
198	E	85.2	Confident	77.6	Confident	119 Å²	119	80 Å²	80	56%	0.556	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.2	173.2	-60.9	-177.4	172	0	0	109.9	Q213	E198-Q213 PolarHBondContact OE2-NE2 3.28Å
199	M	81.6	Confident	77	Confident	7 Å²	7	81.6 Å²	81.6	3%	0.034	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.5	172.1	-67.6	-175.4	55.6	0	0	110.3	L203 Q213 W214 V216	M199-L203 HydrophobicContact CE-CD1 3.93Å; M199-Q213 VanDerWaalsContact O-CG 3.25Å; M199-Q213 WeakPolarHBondContact O-CG 3.48Å; M199-Q213 PolarHBondContact O-NE2 2.9Å; M199-W214 WeakPolarHBondContact CB-O 3.37Å; M199-W214 WeakPolarHBondContact CG-O 3.29Å; M199-W214 PolarHBondContact N-O 3.02Å; M199-W214 HydrophobicContact SD-CB 3.92Å; M199-V216 HydrophobicContact CG-CG2 3.59Å; M199-V216 HydrophobicContact SD-CG2 3.98Å
200	D	75	Confident	77.2	Confident	136 Å²	136	77.4 Å²	77.4	73%	0.727	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	-34.1	175.6	-60.5	-40.7	0	0	0	111.9	Q137	Q137-D200 PolarHBondContact NE2-OD2 3.33Å
201	E	77.3	Confident	77.7	Confident	100 Å²	100	80.7 Å²	80.7	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132	179.5	-67.3	-178.2	-173.2	0	0	111.6
202	R	79.4	Confident	78	Confident	172 Å²	172	74.5 Å²	74.5	65%	0.649	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	127.6	169.3	-63.2	-174.7	179.1	179.5	-0.2	109.3	M211 Q213	R202-M211 HydrophobicContact CB-CB 4.44Å; R202-Q213 HydrophobicContact CG-CB 4.19Å
203	L	78.9	Confident	78.2	Confident	17 Å²	17	76.5 Å²	76.5	9%	0.089	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.7	-180	-59.8	170.1	0	0	0	109.9	T126 C129 Q130 M199 H205 V212	T126-L203 HydrophobicContact CG2-CB 4.42Å; C129-L203 HydrophobicContact CB-CD1 4.01Å; C129-L203 HydrophobicContact CB-CD2 3.76Å; Q130-L203 HydrophobicContact CG-CD1 3.68Å; M199-L203 HydrophobicContact CE-CD1 3.93Å; L203-H205 PolarHBondContact O-N 2.86Å; L203-V212 PolarHBondContact N-O 3.43Å; L203-V212 PolarHBondContact O-N 2.92Å
204	E	73.1	Confident	78.4	Confident	68 Å²	68	74.2 Å²	74.2	32%	0.318	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.2	175.2	-165.4	178.1	174.4	0	0	109.8	R122 G209 E210 M211	R122-E204 IonicContact NH1-OE1 3.65Å; R122-E204 IonicContact NH1-OE2 3.57Å; E204-G209 WeakPolarHBondContact OE1-CA 3.49Å; E204-E210 WeakPolarHBondContact CA-O 3.49Å; E204-M211 HydrophobicContact CB-CE 4.12Å; E204-M211 HydrophobicContact CB-SD 4.09Å
205	H	73.3	Confident	78.5	Confident	35 Å²	35	72.8 Å²	72.8	16%	0.162	36%	0.363	C	S	.	.			trans	-69.6	129.6	173.9	-170.6	-72.4	0	0	0	109.6	L203 D207 T208 G209 E210 V212 W214	L203-H205 PolarHBondContact O-N 2.86Å; H205-D207 VanDerWaalsContact C-N 3.26Å; H205-D207 IonicContact CE1-OD2 3.02Å; H205-D207 PolarHBondContact CE1-OD2 2.92Å; H205-D207 PolarHBondContact ND1-N 3.32Å; H205-D207 VanDerWaalsContact ND1-N 3.14Å; H205-D207 PolarHBondContact O-N 3.44Å; H205-D207 VanDerWaalsContact O-N 3.15Å; H205-T208 VanDerWaalsContact CB-OG1 3.26Å; H205-T208 WeakPolarHBondContact CB-OG1 3.45Å; H205-T208 PolarHBondContact ND1-N 2.92Å; H205-T208 PolarHBondContact O-N 3.49Å; H205-G209 PolarHBondContact O-N 2.81Å; H205-E210 PolarHBondContact N-O 3.21Å; H205-V212 HydrophobicContact CB-CG2 4.33Å; H205-W214 AromaticContact CD2-CH2 3.71Å; H205-W214 AromaticContact CD2-CZ2 3.62Å
206	P	65.8	Low	78.8	Confident	67 Å²	67	70.4 Å²	70.4	44%	0.435	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.9	-175.3	-26.8	33.8	0	0	0	114.5	T126	T126-P206 HydrophobicContact CG2-CG 4.49Å
207	D	67.3	Low	79	Confident	144 Å²	144	67.9 Å²	67.9	77%	0.77	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-31.2	-174.7	-52.1	-47.5	0	0	0	115	H205	H205-D207 VanDerWaalsContact C-N 3.26Å; H205-D207 IonicContact CE1-OD2 3.02Å; H205-D207 PolarHBondContact CE1-OD2 2.92Å; H205-D207 PolarHBondContact ND1-N 3.32Å; H205-D207 VanDerWaalsContact ND1-N 3.14Å; H205-D207 PolarHBondContact O-N 3.44Å; H205-D207 VanDerWaalsContact O-N 3.15Å
208	T	69.5	Low	79.1	Confident	83 Å²	83	64.2 Å²	64.2	51%	0.509	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-16.7	-173.1	63.8	0	0	0	0	113.1	H205 E210	H205-T208 VanDerWaalsContact CB-OG1 3.26Å; H205-T208 WeakPolarHBondContact CB-OG1 3.45Å; H205-T208 PolarHBondContact ND1-N 2.92Å; H205-T208 PolarHBondContact O-N 3.49Å; T208-E210 PolarHBondContact O-N 3.33Å; T208-E210 PolarHBondContact OG1-N 2.92Å
209	G	67.7	Low	79.1	Confident	38 Å²	38	58.6 Å²	58.6	39%	0.392	30%	0.3	S	S	.	.			trans	68.3	7.2	-175.3	0	0	0	0	0	113.9	E204 H205	E204-G209 WeakPolarHBondContact OE1-CA 3.49Å; H205-G209 PolarHBondContact O-N 2.81Å
210	E	78	Confident	79.3	Confident	125 Å²	125	58.5 Å²	58.5	58%	0.584	30%	0.3	S	S	*	.			trans	-82.2	140.3	178.9	-66.9	-174	164.1	0	0	110.9	E204 H205 T208 V212	E204-E210 WeakPolarHBondContact CA-O 3.49Å; H205-E210 PolarHBondContact N-O 3.21Å; T208-E210 PolarHBondContact O-N 3.33Å; T208-E210 PolarHBondContact OG1-N 2.92Å; E210-V212 HydrophobicContact CB-CG2 4.35Å; E210-V212 PolarHBondContact O-N 3.28Å
211	M	80	Confident	79.7	Confident	120 Å²	120	52.6 Å²	52.6	59%	0.591	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	100.8	174.7	-71	-69.8	177.3	0	0	109.5	R202 E204	R202-M211 HydrophobicContact CB-CB 4.44Å; E204-M211 HydrophobicContact CB-CE 4.12Å; E204-M211 HydrophobicContact CB-SD 4.09Å
212	V	82.9	Confident	79.9	Confident	13 Å²	13	52.2 Å²	52.2	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.9	-178.2	-178.9	0	0	0	0	109.7	L203 H205 E210 W214	L203-V212 PolarHBondContact N-O 3.43Å; L203-V212 PolarHBondContact O-N 2.92Å; H205-V212 HydrophobicContact CB-CG2 4.33Å; E210-V212 HydrophobicContact CB-CG2 4.35Å; E210-V212 PolarHBondContact O-N 3.28Å; V212-W214 VanDerWaalsContact O-CD1 3.29Å; V212-W214 PolarHBondContact O-N 3.17Å
213	Q	85.1	Confident	80	Confident	62 Å²	62	45.9 Å²	45.9	29%	0.29	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109	167.5	-165.9	176.8	-17.1	0	0	107.9	P174 E198 M199 R202	P174-Q213 VanDerWaalsContact CD-O 3.27Å; P174-Q213 WeakPolarHBondContact CD-O 3.4Å; P174-Q213 WeakPolarHBondContact CG-O 3.46Å; E198-Q213 PolarHBondContact OE2-NE2 3.28Å; M199-Q213 VanDerWaalsContact O-CG 3.25Å; M199-Q213 WeakPolarHBondContact O-CG 3.48Å; M199-Q213 PolarHBondContact O-NE2 2.9Å; R202-Q213 HydrophobicContact CG-CB 4.19Å
214	W	87.1	Confident	80	Confident	23 Å²	23	51.3 Å²	51.3	9%	0.087	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	150.6	-175.4	-69.8	88.1	0	0	0	111.6	V171 H173 M199 H205 V212	V171-W214 HydrophobicContact CG1-CB 3.53Å; V171-W214 HydrophobicContact CG1-CD2 3.95Å; V171-W214 HydrophobicContact CG1-CE3 3.6Å; V171-W214 HydrophobicContact CG1-CG 3.97Å; H173-W214 HydrophobicContact CB-CE3 4.42Å; H173-W214 HydrophobicContact CB-CZ3 4.01Å; M199-W214 WeakPolarHBondContact CB-O 3.37Å; M199-W214 WeakPolarHBondContact CG-O 3.29Å; M199-W214 PolarHBondContact N-O 3.02Å; M199-W214 HydrophobicContact SD-CB 3.92Å; H205-W214 AromaticContact CD2-CH2 3.71Å; H205-W214 AromaticContact CD2-CZ2 3.62Å; V212-W214 VanDerWaalsContact O-CD1 3.29Å; V212-W214 PolarHBondContact O-N 3.17Å
215	T	87.8	Confident	80.4	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.049	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120	176.3	-47.4	0	0	0	0	109.4	V171 V172 V177 F196 R197	V171-T215 WeakPolarHBondContact CA-O 3.24Å; V172-T215 PolarHBondContact N-O 3.35Å; V172-T215 PolarHBondContact O-N 2.98Å; V177-T215 HydrophobicContact CG2-CG2 4.13Å; F196-T215 HydrophobicContact CB-CG2 4.03Å; F196-T215 HydrophobicContact CD1-CG2 4.33Å; R197-T215 CarbonylContact O-C 3.47Å; R197-T215 WeakPolarHBondContact O-CA 3.46Å; R197-T215 WeakPolarHBondContact O-CG2 3.4Å
216	V	89.2	Confident	80.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.5	170.2	172.8	0	0	0	0	108.8	V134 T138 G170 V171 F196 R197 M199	V134-V216 HydrophobicContact CB-CG1 4.23Å; V134-V216 HydrophobicContact CG1-CG1 4.23Å; V134-V216 HydrophobicContact CG2-CG1 3.97Å; V134-V216 HydrophobicContact CG2-CG2 3.92Å; T138-V216 HydrophobicContact CG2-CG1 4.21Å; G170-V216 WeakPolarHBondContact O-CA 3.21Å; V171-V216 HydrophobicContact CG2-CG2 4.25Å; F196-V216 CarbonylContact C-O 3.48Å; F196-V216 WeakPolarHBondContact CA-O 3.39Å; R197-V216 PolarHBondContact N-O 3.29Å; R197-V216 PolarHBondContact O-N 3.46Å; M199-V216 HydrophobicContact CG-CG2 3.59Å; M199-V216 HydrophobicContact SD-CG2 3.98Å
217	F	89	Confident	81.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.3	167.6	64.4	-94.4	0	0	0	111.1	V168 A169 G170 V172 F180 D195 F196 I219 T239	V168-F217 HydrophobicContact CG1-CE2 4.44Å; A169-F217 WeakPolarHBondContact CA-O 3.36Å; G170-F217 PolarHBondContact N-O 3.05Å; G170-F217 WeakPolarHBondContact O-CD1 3.21Å; G170-F217 PolarHBondContact O-N 2.99Å; V172-F217 HydrophobicContact CB-CD1 4.05Å; V172-F217 HydrophobicContact CB-CE1 4.14Å; V172-F217 HydrophobicContact CG1-CD1 3.91Å; V172-F217 HydrophobicContact CG1-CE1 4.49Å; F180-F217 HydrophobicContact CE1-CD1 4.18Å; F180-F217 HydrophobicContact CE1-CD2 4.27Å; F180-F217 HydrophobicContact CE1-CE1 4.3Å; F180-F217 HydrophobicContact CE1-CE2 4.39Å; F180-F217 HydrophobicContact CE1-CG 4.15Å; F180-F217 HydrophobicContact CE1-CZ 4.4Å; F180-F217 HydrophobicContact CZ-CE1 4.37Å; F180-F217 HydrophobicContact CZ-CE2 4.25Å; F180-F217 HydrophobicContact CZ-CZ 4.14Å; D195-F217 CarbonylContact O-C 3.5Å; D195-F217 VanDerWaalsContact O-CA 3.24Å; D195-F217 WeakPolarHBondContact O-CA 3.47Å; F196-F217 HydrophobicContact CD1-CB 3.63Å; F196-F217 HydrophobicContact CE1-CB 3.63Å; F196-F217 HydrophobicContact CE1-CG 4.44Å; F217-I219 HydrophobicContact CD2-CD1 3.65Å; F217-I219 HydrophobicContact CD2-CG1 3.86Å; F217-I219 HydrophobicContact CE2-CD1 3.79Å; F217-I219 HydrophobicContact CE2-CG1 4.41Å; F217-T239 HydrophobicContact CE1-CG2 4.01Å; F217-T239 HydrophobicContact CZ-CG2 4.42Å
218	L	87.1	Confident	82.5	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.4	169.2	-178.2	67.2	0	0	0	108.2	T138 L141 F167 A169 V194 D195	T138-L218 HydrophobicContact CG2-CB 4.04Å; T138-L218 HydrophobicContact CG2-CD1 4.36Å; T138-L218 HydrophobicContact CG2-CD2 4.13Å; T138-L218 HydrophobicContact CG2-CG 4.41Å; L141-L218 HydrophobicContact CB-CD2 4.46Å; L141-L218 HydrophobicContact CD1-CD2 4.43Å; F167-L218 HydrophobicContact CB-CD1 4.23Å; F167-L218 HydrophobicContact CD1-CD1 4.18Å; F167-L218 HydrophobicContact CD1-CG 4.5Å; A169-L218 HydrophobicContact CB-CD1 3.89Å; V194-L218 WeakPolarHBondContact CA-O 3.45Å; D195-L218 PolarHBondContact N-O 3.41Å; D195-L218 PolarHBondContact O-N 3.06Å
219	I	86.4	Confident	83.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.9	178.7	-58.3	164.6	0	0	0	107.8	F167 V168 F180 L184 I192 I193 V194 F217 F221 V230	F167-I219 WeakPolarHBondContact CA-O 3.35Å; V168-I219 PolarHBondContact N-O 3.45Å; V168-I219 PolarHBondContact O-N 3.35Å; F180-I219 HydrophobicContact CE1-CD1 4.3Å; F180-I219 HydrophobicContact CZ-CD1 4.22Å; L184-I219 HydrophobicContact CD1-CD1 3.72Å; L184-I219 HydrophobicContact CD1-CG1 4.49Å; L184-I219 HydrophobicContact CD2-CD1 4.3Å; I192-I219 HydrophobicContact CB-CG2 4.23Å; I192-I219 HydrophobicContact CG2-CG2 4.37Å; I193-I219 WeakPolarHBondContact O-CA 3.39Å; V194-I219 HydrophobicContact CB-CG1 4.46Å; V194-I219 HydrophobicContact CG1-CG1 3.96Å; V194-I219 HydrophobicContact CG2-CG1 4.06Å; V194-I219 HydrophobicContact CG2-CG2 4.28Å; F217-I219 HydrophobicContact CD2-CD1 3.65Å; F217-I219 HydrophobicContact CD2-CG1 3.86Å; F217-I219 HydrophobicContact CE2-CD1 3.79Å; F217-I219 HydrophobicContact CE2-CG1 4.41Å; I219-F221 HydrophobicContact CG2-CD1 4.41Å; I219-V230 HydrophobicContact CD1-CG1 3.79Å; I219-V230 HydrophobicContact CG2-CG1 4.16Å; I219-V230 HydrophobicContact CG2-CG2 4.41Å
220	S	84.5	Confident	84.2	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.3	166.8	70.3	0	0	0	0	109.7	S166 I192 I193	S166-S220 WeakPolarHBondContact O-CA 3.5Å; I192-S220 VanDerWaalsContact CA-O 3.3Å; I192-S220 WeakPolarHBondContact CA-O 3.27Å; I193-S220 WeakPolarHBondContact CB-OG 3.12Å; I193-S220 PolarHBondContact N-O 3.34Å; I193-S220 PolarHBondContact O-N 2.74Å
221	F	84.7	Confident	84.6	Confident	11 Å²	11	50.8 Å²	50.8	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.7	-177.8	60.4	-90	0	0	0	111.1	S166 V168 I192 I219 I226	S166-F221 PolarHBondContact N-O 3.08Å; S166-F221 PolarHBondContact O-N 3.46Å; S166-F221 VanDerWaalsContact O-N 3.12Å; V168-F221 HydrophobicContact CB-CE1 4.14Å; V168-F221 HydrophobicContact CG2-CE1 3.59Å; V168-F221 HydrophobicContact CG2-CZ 4.17Å; I192-F221 HydrophobicContact CG2-CB 3.84Å; I219-F221 HydrophobicContact CG2-CD1 4.41Å; F221-I226 HydrophobicContact CB-CG2 3.92Å; F221-I226 HydrophobicContact CG-CG2 4.48Å
222	W	81.6	Confident	85	Confident	92 Å²	92	52 Å²	52	35%	0.348	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.4	177.3	-56.3	-79.2	0	0	0	110.3	I163 L165 Y191 I193 I226	I163-W222 HydrophobicContact CG2-CG 4.46Å; L165-W222 HydrophobicContact CD1-CZ2 4.33Å; Y191-W222 VanDerWaalsContact C-CZ3 3.48Å; Y191-W222 WeakPolarHBondContact O-CZ3 3.37Å; I193-W222 HydrophobicContact CD1-CH2 3.92Å; I193-W222 HydrophobicContact CD1-CZ2 4.26Å; I193-W222 HydrophobicContact CG1-CH2 3.99Å; W222-I226 WeakPolarHBondContact O-CD1 3.43Å
223	G	80.3	Confident	85.3	Confident	40 Å²	40	52.2 Å²	52.2	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	88.4	147.4	173.1	0	0	0	0	0	116.3	Q225 I226 G227	G223-Q225 PolarHBondContact O-N 3.1Å; G223-I226 PolarHBondContact O-N 2.86Å; G223-G227 PolarHBondContact O-N 3.39Å
224	D	79.5	Confident	85.5	Confident	131 Å²	131	49.3 Å²	49.3	70%	0.701	24%	0.239	S	C	*	.	H	α-helix	trans	-67.2	-34.5	-170.4	-66.1	-32.4	0	0	0	114.2	I226 G227 Q228	D224-I226 VanDerWaalsContact C-N 3.31Å; D224-I226 PolarHBondContact O-N 3.44Å; D224-G227 PolarHBondContact O-N 3.02Å; D224-Q228 PolarHBondContact O-N 3.47Å
225	Q	82	Confident	85.5	Confident	159 Å²	159	53 Å²	53	74%	0.743	26%	0.26	S	S	*	.	H	α-helix	trans	-66	-34.2	180	-65.5	-173.8	4.9	0	0	112.3	G223 K229	G223-Q225 PolarHBondContact O-N 3.1Å; Q225-K229 PolarHBondContact O-N 2.96Å
226	I	82.9	Confident	85.5	Confident	32 Å²	32	57 Å²	57	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-74.7	-40.6	175.2	-67.9	164.5	0	0	0	109.4	Y191 I192 F221 W222 G223 D224 Q228 K229 V230	Y191-I226 HydrophobicContact CD2-CD1 4.47Å; Y191-I226 HydrophobicContact CG-CD1 4.1Å; I192-I226 HydrophobicContact CG2-CG2 3.9Å; F221-I226 HydrophobicContact CB-CG2 3.92Å; F221-I226 HydrophobicContact CG-CG2 4.48Å; W222-I226 WeakPolarHBondContact O-CD1 3.43Å; G223-I226 PolarHBondContact O-N 2.86Å; D224-I226 VanDerWaalsContact C-N 3.31Å; D224-I226 PolarHBondContact O-N 3.44Å; I226-Q228 VanDerWaalsContact C-N 3.31Å; I226-Q228 PolarHBondContact O-N 3.32Å; I226-K229 WeakPolarHBondContact O-CB 3.42Å; I226-K229 PolarHBondContact O-N 2.91Å; I226-V230 HydrophobicContact CG2-CG2 4.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.25Å; I226-V230 PolarHBondContact O-N 2.92Å
227	G	82.1	Confident	85.4	Confident	5 Å²	5	58.6 Å²	58.6	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-55.3	-42.4	173.7	0	0	0	0	0	113.5	G223 D224 K229 V230 K231	G223-G227 PolarHBondContact O-N 3.39Å; D224-G227 PolarHBondContact O-N 3.02Å; G227-K229 PolarHBondContact O-N 3.32Å; G227-V230 PolarHBondContact O-N 3.09Å; G227-K231 WeakPolarHBondContact O-CG 3.47Å; G227-K231 PolarHBondContact O-N 2.87Å
228	Q	85.5	Confident	85.2	Confident	124 Å²	124	66.3 Å²	66.3	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-65.3	-36.4	175	-70.4	-177.7	4	0	0	113	D224 I226 K232	D224-Q228 PolarHBondContact O-N 3.47Å; I226-Q228 VanDerWaalsContact C-N 3.31Å; I226-Q228 PolarHBondContact O-N 3.32Å; Q228-K232 WeakPolarHBondContact O-CG 3.24Å; Q228-K232 PolarHBondContact O-N 2.89Å; Q228-K232 VanDerWaalsContact O-N 3.08Å
229	K	86.2	Confident	85	Confident	110 Å²	110	66.6 Å²	66.6	48%	0.478	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-43.2	174.9	-72	176.3	-179.5	176.6	0	111.4	Q225 I226 G227 K232 I233	Q225-K229 PolarHBondContact O-N 2.96Å; I226-K229 WeakPolarHBondContact O-CB 3.42Å; I226-K229 PolarHBondContact O-N 2.91Å; G227-K229 PolarHBondContact O-N 3.32Å; K229-K232 PolarHBondContact O-N 2.88Å; K229-I233 VanDerWaalsContact O-CG1 3.3Å; K229-I233 WeakPolarHBondContact O-CG1 3.47Å; K229-I233 PolarHBondContact O-N 3.42Å
230	V	86.7	Confident	84.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-47.1	176.6	173.5	0	0	0	0	110.4	V168 L184 I192 I219 I226 G227 K232 I233 C234	V168-V230 HydrophobicContact CG1-CG1 4.42Å; L184-V230 HydrophobicContact CD2-CG1 4.4Å; L184-V230 HydrophobicContact CD2-CG2 4.28Å; I192-V230 HydrophobicContact CG2-CG2 4.33Å; I219-V230 HydrophobicContact CD1-CG1 3.79Å; I219-V230 HydrophobicContact CG2-CG1 4.16Å; I219-V230 HydrophobicContact CG2-CG2 4.41Å; I226-V230 HydrophobicContact CG2-CG2 4.3Å; I226-V230 WeakPolarHBondContact O-CG2 3.25Å; I226-V230 PolarHBondContact O-N 2.92Å; G227-V230 PolarHBondContact O-N 3.09Å; V230-K232 PolarHBondContact O-N 3.35Å; V230-I233 PolarHBondContact O-N 3.06Å; V230-I233 VanDerWaalsContact O-N 3.11Å; V230-C234 PolarHBondContact O-N 3.27Å; V230-C234 PolarHBondContact O-SG 3.01Å; V230-C234 VanDerWaalsContact O-SG 3.33Å
231	K	87.1	Confident	85	Confident	119 Å²	119	72.7 Å²	72.7	52%	0.517	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-46.8	175.9	-73	178.6	-179.1	-178.5	0	112.4	G227 I233 C234 D235	G227-K231 WeakPolarHBondContact O-CG 3.47Å; G227-K231 PolarHBondContact O-N 2.87Å; K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 PolarHBondContact O-N 2.86Å; K231-C234 WeakPolarHBondContact O-CB 3.43Å; K231-C234 PolarHBondContact O-N 3.18Å; K231-C234 VanDerWaalsContact O-N 3.13Å; K231-D235 VanDerWaalsContact O-CG 3.23Å; K231-D235 PolarHBondContact O-N 3.43Å
232	K	88.2	Confident	85.1	Confident	146 Å²	146	74 Å²	74	64%	0.635	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-35.6	175.4	-73.5	176.6	-178.7	-178	0	113.3	Q228 K229 V230 C236	Q228-K232 WeakPolarHBondContact O-CG 3.24Å; Q228-K232 PolarHBondContact O-N 2.89Å; Q228-K232 VanDerWaalsContact O-N 3.08Å; K229-K232 PolarHBondContact O-N 2.88Å; V230-K232 PolarHBondContact O-N 3.35Å; K232-C236 WeakPolarHBondContact O-CB 3.44Å; K232-C236 PolarHBondContact O-N 3.44Å
233	I	89.3	Confident	85.1	Confident	17 Å²	17	73.4 Å²	73.4	9%	0.087	38%	0.384	C	S	.	.	H	α-helix	trans	-70.1	-42.4	175.8	-68.7	165.9	0	0	0	110.3	F180 L183 L184 A187 K229 V230 K231 D235 C236 F237	F180-I233 HydrophobicContact CD2-CG2 4.06Å; F180-I233 HydrophobicContact CE2-CG2 3.75Å; L183-I233 HydrophobicContact CD2-CG1 4.19Å; L183-I233 HydrophobicContact CD2-CG2 4.06Å; L184-I233 HydrophobicContact CD2-CB 4.37Å; L184-I233 HydrophobicContact CD2-CD1 4.01Å; L184-I233 HydrophobicContact CD2-CG2 4Å; L184-I233 HydrophobicContact CG-CG2 4.14Å; A187-I233 HydrophobicContact CB-CD1 3.78Å; K229-I233 VanDerWaalsContact O-CG1 3.3Å; K229-I233 WeakPolarHBondContact O-CG1 3.47Å; K229-I233 PolarHBondContact O-N 3.42Å; V230-I233 PolarHBondContact O-N 3.06Å; V230-I233 VanDerWaalsContact O-N 3.11Å; K231-I233 VanDerWaalsContact C-N 3.28Å; K231-I233 PolarHBondContact O-N 2.86Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.36Å; I233-C236 WeakPolarHBondContact O-CB 3.41Å; I233-C236 PolarHBondContact O-N 3.43Å; I233-F237 HydrophobicContact CG2-CD2 4.12Å; I233-F237 HydrophobicContact CG2-CE2 4.23Å; I233-F237 WeakPolarHBondContact O-CD2 3.22Å; I233-F237 PolarHBondContact O-N 3.41Å; I233-F237 VanDerWaalsContact O-N 3.16Å
234	C	88	Confident	85.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-56.9	-47.3	172.9	-67.8	0	0	0	0	111.7	V230 K231 C236 F237 H238 T239 T241	V230-C234 PolarHBondContact O-N 3.27Å; V230-C234 PolarHBondContact O-SG 3.01Å; V230-C234 VanDerWaalsContact O-SG 3.33Å; K231-C234 WeakPolarHBondContact O-CB 3.43Å; K231-C234 PolarHBondContact O-N 3.18Å; K231-C234 VanDerWaalsContact O-N 3.13Å; C234-C236 VanDerWaalsContact C-N 3.32Å; C234-C236 PolarHBondContact O-N 2.94Å; C234-F237 PolarHBondContact O-N 3.42Å; C234-H238 PolarHBondContact O-N 3.31Å; C234-T239 VanDerWaalsContact CA-OG1 3.23Å; C234-T239 WeakPolarHBondContact CA-OG1 3.41Å; C234-T239 WeakPolarHBondContact CB-OG1 3.41Å; C234-T239 PolarHBondContact O-N 3.25Å; C234-T239 PolarHBondContact O-OG1 2.87Å; C234-T239 VanDerWaalsContact O-OG1 3.13Å; C234-T241 HydrophobicContact CB-CG2 3.8Å
235	D	87.3	Confident	85.1	Confident	101 Å²	101	67.2 Å²	67.2	54%	0.54	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-40.6	178	-62.8	-27.1	0	0	0	111.8	K231 I233 F237 H238	K231-D235 VanDerWaalsContact O-CG 3.23Å; K231-D235 PolarHBondContact O-N 3.43Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.36Å; D235-F237 PolarHBondContact O-N 2.86Å; D235-H238 PolarHBondContact O-N 3.2Å; D235-H238 VanDerWaalsContact O-N 3.17Å; D235-H238 PolarHBondContact O-ND1 3.18Å
236	C	88.4	Confident	84.6	Confident	91 Å²	91	66.3 Å²	66.3	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-36	179	-174.3	0	0	0	0	113.2	K232 I233 C234 H238	K232-C236 WeakPolarHBondContact O-CB 3.44Å; K232-C236 PolarHBondContact O-N 3.44Å; I233-C236 WeakPolarHBondContact O-CB 3.41Å; I233-C236 PolarHBondContact O-N 3.43Å; C234-C236 VanDerWaalsContact C-N 3.32Å; C234-C236 PolarHBondContact O-N 2.94Å; C236-H238 VanDerWaalsContact C-N 3.31Å
237	F	87	Confident	84.4	Confident	38 Å²	38	67 Å²	67	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-87.1	-1.2	177.2	-80.7	-92.4	0	0	0	113.7	K176 F180 L183 I233 C234 D235 T239	K176-F237 HydrophobicContact CB-CD1 4.48Å; K176-F237 PolarHBondContact NZ-O 2.95Å; F180-F237 HydrophobicContact CB-CD1 4.31Å; F180-F237 HydrophobicContact CB-CE1 4.25Å; F180-F237 HydrophobicContact CB-CZ 4.39Å; F180-F237 HydrophobicContact CD2-CB 4.05Å; F180-F237 HydrophobicContact CD2-CD1 4.34Å; F180-F237 AromaticContact CD2-CD2 3.57Å; F180-F237 HydrophobicContact CD2-CD2 3.57Å; F180-F237 HydrophobicContact CD2-CE2 4.01Å; F180-F237 AromaticContact CD2-CG 3.73Å; F180-F237 HydrophobicContact CD2-CG 3.73Å; F180-F237 HydrophobicContact CE2-CB 4.44Å; F180-F237 HydrophobicContact CE2-CD2 4.24Å; F180-F237 HydrophobicContact CE2-CG 4.49Å; L183-F237 HydrophobicContact CB-CE2 4.24Å; L183-F237 HydrophobicContact CB-CZ 4.46Å; L183-F237 HydrophobicContact CD2-CE2 3.62Å; L183-F237 HydrophobicContact CD2-CZ 4.36Å; I233-F237 HydrophobicContact CG2-CD2 4.12Å; I233-F237 HydrophobicContact CG2-CE2 4.23Å; I233-F237 WeakPolarHBondContact O-CD2 3.22Å; I233-F237 PolarHBondContact O-N 3.41Å; I233-F237 VanDerWaalsContact O-N 3.16Å; C234-F237 PolarHBondContact O-N 3.42Å; D235-F237 PolarHBondContact O-N 2.86Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 HydrophobicContact CB-CG2 4.02Å
238	H	84.7	Confident	84	Confident	161 Å²	161	70.9 Å²	70.9	75%	0.745	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	44.6	-171.8	-54.9	-58.2	0	0	0	112.3	C234 D235 C236	C234-H238 PolarHBondContact O-N 3.31Å; D235-H238 PolarHBondContact O-N 3.2Å; D235-H238 VanDerWaalsContact O-N 3.17Å; D235-H238 PolarHBondContact O-ND1 3.18Å; C236-H238 VanDerWaalsContact C-N 3.31Å
239	T	83.7	Confident	83.8	Confident	15 Å²	15	67.5 Å²	67.5	9%	0.092	36%	0.361	C	S	.	.			trans	-81.4	144.8	173.7	60.1	0	0	0	0	110.6	V171 V172 F180 F217 C234 F237	V171-T239 WeakPolarHBondContact O-CB 3.33Å; V172-T239 HydrophobicContact CB-CG2 3.87Å; V172-T239 HydrophobicContact CG2-CG2 3.82Å; F180-T239 HydrophobicContact CE2-CG2 4.3Å; F217-T239 HydrophobicContact CE1-CG2 4.01Å; F217-T239 HydrophobicContact CZ-CG2 4.42Å; C234-T239 VanDerWaalsContact CA-OG1 3.23Å; C234-T239 WeakPolarHBondContact CA-OG1 3.41Å; C234-T239 WeakPolarHBondContact CB-OG1 3.41Å; C234-T239 PolarHBondContact O-N 3.25Å; C234-T239 PolarHBondContact O-OG1 2.87Å; C234-T239 VanDerWaalsContact O-OG1 3.13Å; F237-T239 VanDerWaalsContact C-N 3.32Å; F237-T239 HydrophobicContact CB-CG2 4.02Å
240	Q	83.5	Confident	83.6	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115	174	-64.5	-169.4	11.4	0	0	108.9	G170 V171 F242	G170-Q240 CarbonylContact C-O 3.5Å; G170-Q240 WeakPolarHBondContact CA-O 3.28Å; V171-Q240 PolarHBondContact N-O 3.17Å; V171-Q240 PolarHBondContact O-N 2.95Å; Q240-F242 HydrophobicContact CB-CE2 4.3Å; Q240-F242 HydrophobicContact CB-CZ 4.26Å
241	T	87.1	Confident	83.3	Confident	68 Å²	68	67.8 Å²	67.8	42%	0.417	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138	179	58.3	0	0	0	0	111.1	V168 A169 C234	V168-T241 HydrophobicContact CG1-CG2 4.29Å; A169-T241 WeakPolarHBondContact O-CA 3.44Å; C234-T241 HydrophobicContact CB-CG2 3.8Å
242	F	86.4	Confident	83.1	Confident	40 Å²	40	67.2 Å²	67.2	18%	0.175	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152	178.7	-58.7	-78.3	0	0	0	111.3	Q130 Y131 V134 A169 V171 Q240 Y244	Q130-F242 HydrophobicContact CB-CE2 4.02Å; Q130-F242 HydrophobicContact CB-CZ 3.91Å; Y131-F242 HydrophobicContact CD1-CD1 4.35Å; Y131-F242 HydrophobicContact CD2-CB 3.44Å; Y131-F242 VanDerWaalsContact CD2-CB 3.44Å; Y131-F242 AromaticContact CD2-CD1 3.85Å; Y131-F242 HydrophobicContact CD2-CD1 3.85Å; Y131-F242 HydrophobicContact CD2-CD2 4.31Å; Y131-F242 AromaticContact CD2-CG 3.6Å; Y131-F242 HydrophobicContact CD2-CG 3.6Å; Y131-F242 HydrophobicContact CE2-CB 3.6Å; Y131-F242 HydrophobicContact CE2-CG 4.26Å; Y131-F242 HydrophobicContact CG-CB 4.21Å; Y131-F242 AromaticContact CG-CD1 3.72Å; Y131-F242 HydrophobicContact CG-CD1 3.72Å; Y131-F242 HydrophobicContact CG-CE1 4.27Å; Y131-F242 AromaticContact CG-CG 3.96Å; Y131-F242 HydrophobicContact CG-CG 3.96Å; V134-F242 HydrophobicContact CG2-CD2 3.94Å; V134-F242 HydrophobicContact CG2-CE2 4.28Å; A169-F242 PolarHBondContact O-N 3.49Å; V171-F242 HydrophobicContact CG2-CE2 4.08Å; Q240-F242 HydrophobicContact CB-CE2 4.3Å; Q240-F242 HydrophobicContact CB-CZ 4.26Å; F242-Y244 PolarHBondContact O-N 2.93Å
243	A	82	Confident	83	Confident	78 Å²	78	64.1 Å²	64.1	65%	0.645	35%	0.353	S	S	*	.			trans	-69.5	128.4	174.4	0	0	0	0	0	109.9	Y131	Y131-A243 WeakPolarHBondContact CE2-O 3.33Å; Y131-A243 PolarHBondContact OH-O 3.22Å
244	Y	81	Confident	82.9	Confident	25 Å²	25	65.8 Å²	65.8	10%	0.098	36%	0.362	C	S	.	.			trans	-105.7	112.1	-178.9	-165.6	-103.5	0	0	0	110.6	L135 T138 T142 F167 A169 F242 R251	L135-Y244 HydrophobicContact CD2-CD2 3.9Å; L135-Y244 HydrophobicContact CD2-CE2 3.94Å; T138-Y244 HydrophobicContact CG2-CE2 4.46Å; T138-Y244 WeakPolarHBondContact OG1-CE2 3.23Å; T138-Y244 PolarHBondContact OG1-OH 3.38Å; T142-Y244 PolarHBondContact OG1-OH 3.4Å; F167-Y244 HydrophobicContact CB-CD1 3.78Å; F167-Y244 HydrophobicContact CB-CG 4.3Å; F167-Y244 HydrophobicContact CD2-CD1 4.16Å; F167-Y244 HydrophobicContact CD2-CE1 4.5Å; F167-Y244 HydrophobicContact CG-CD1 4.02Å; F167-Y244 HydrophobicContact CG-CE1 4.39Å; A169-Y244 HydrophobicContact CB-CD2 4Å; A169-Y244 HydrophobicContact CB-CG 4.41Å; F242-Y244 PolarHBondContact O-N 2.93Å; Y244-R251 PolarHBondContact OH-NE 2.94Å
245	P	79.1	Confident	82.9	Confident	16 Å²	16	67.2 Å²	67.2	10%	0.104	37%	0.369	C	S	.	.			trans	-68.1	139.1	175.2	-17.1	30.4	0	0	0	111.1	E250 R251 I254	P245-E250 HydrophobicContact CB-CB 4.25Å; P245-R251 PolarHBondContact O-NH2 2.94Å; P245-I254 HydrophobicContact CB-CD1 4.33Å; P245-I254 HydrophobicContact CG-CD1 3.39Å
246	E	71.5	Confident	82.9	Confident	140 Å²	140	70.7 Å²	70.7	65%	0.654	38%	0.375	S	S	*	.	S	Bend	trans	-79.2	-38.2	178.4	-65.3	179.6	-176.4	0	0	111.3	R251	E246-R251 PolarHBondContact O-NH2 3.05Å
247	S	76.6	Confident	83.1	Confident	47 Å²	47	70 Å²	70	33%	0.329	37%	0.365	S	S	.	.	S	Bend	trans	-75.3	138.3	179.1	-179	0	0	0	0	112.5	A249 R251	S247-A249 PolarHBondContact OG-N 3.42Å; S247-R251 WeakPolarHBondContact O-CB 3.32Å; S247-R251 PolarHBondContact O-N 2.89Å
248	T	75.8	Confident	83.3	Confident	87 Å²	87	68.5 Å²	68.5	53%	0.534	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-40.2	175.2	49.4	0	0	0	0	111.9	R251 E252	T248-R251 WeakPolarHBondContact O-CB 3.31Å; T248-R251 PolarHBondContact O-N 3.42Å; T248-E252 PolarHBondContact O-N 3.31Å
249	A	79.9	Confident	83.6	Confident	52 Å²	52	64.2 Å²	64.2	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-45	178.4	0	0	0	0	0	112.2	S247 R251 E252 D253	S247-A249 PolarHBondContact OG-N 3.42Å; A249-R251 VanDerWaalsContact C-N 3.26Å; A249-R251 PolarHBondContact O-N 3.45Å; A249-E252 PolarHBondContact O-N 2.76Å; A249-D253 PolarHBondContact O-N 3.2Å
250	E	82.7	Confident	84	Confident	113 Å²	113	64.9 Å²	64.9	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-33.3	177.3	-66	176.2	178.1	0	0	112	P245 D253 I254	P245-E250 HydrophobicContact CB-CB 4.25Å; E250-D253 PolarHBondContact O-N 2.89Å; E250-I254 WeakPolarHBondContact O-CD1 3.41Å; E250-I254 VanDerWaalsContact O-CG1 3.31Å; E250-I254 WeakPolarHBondContact O-CG1 3.4Å; E250-I254 PolarHBondContact O-N 3.41Å
251	R	79.6	Confident	84.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-42.6	176.1	-168.6	-179.1	-55.6	110.1	6.8	111.9	L135 Y244 P245 E246 S247 T248 A249 D253 I254 L255	L135-R251 HydrophobicContact CB-CG 4.49Å; L135-R251 HydrophobicContact CD2-CG 4.12Å; Y244-R251 PolarHBondContact OH-NE 2.94Å; P245-R251 PolarHBondContact O-NH2 2.94Å; E246-R251 PolarHBondContact O-NH2 3.05Å; S247-R251 WeakPolarHBondContact O-CB 3.32Å; S247-R251 PolarHBondContact O-N 2.89Å; T248-R251 WeakPolarHBondContact O-CB 3.31Å; T248-R251 PolarHBondContact O-N 3.42Å; A249-R251 VanDerWaalsContact C-N 3.26Å; A249-R251 PolarHBondContact O-N 3.45Å; R251-D253 VanDerWaalsContact C-N 3.32Å; R251-I254 PolarHBondContact O-N 2.98Å; R251-L255 HydrophobicContact CG-CD1 4.46Å; R251-L255 WeakPolarHBondContact O-CB 3.37Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.05Å
252	E	83	Confident	84.7	Confident	106 Å²	106	64.8 Å²	64.8	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-38.3	175.2	-73.3	178.5	-175	0	0	111.5	T248 A249 L255 R256	T248-E252 PolarHBondContact O-N 3.31Å; A249-E252 PolarHBondContact O-N 2.76Å; E252-L255 PolarHBondContact O-N 3.28Å; E252-R256 WeakPolarHBondContact O-CG 3.41Å; E252-R256 PolarHBondContact O-N 2.85Å
253	D	87.5	Confident	85.1	Confident	82 Å²	82	69 Å²	69	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-47.4	174.9	-70.2	-15.3	0	0	0	112.1	A249 E250 R251 L255 R256 D257	A249-D253 PolarHBondContact O-N 3.2Å; E250-D253 PolarHBondContact O-N 2.89Å; R251-D253 VanDerWaalsContact C-N 3.32Å; D253-L255 VanDerWaalsContact C-N 3.35Å; D253-L255 PolarHBondContact O-N 3.09Å; D253-R256 PolarHBondContact O-N 3.32Å; D253-R256 IonicContact OD1-CZ 3.61Å; D253-R256 IonicContact OD1-NE 2.85Å; D253-R256 IonicContact OD1-NH2 2.66Å; D253-R256 PolarHBondContact OD1-NH2 3.32Å; D253-D257 PolarHBondContact O-N 2.9Å
254	I	87.2	Confident	85.6	Confident	52 Å²	52	70.5 Å²	70.5	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-39.4	176.6	-70.1	163.1	0	0	0	111	Y131 L135 P245 E250 R251 R256 D257 L258	Y131-I254 HydrophobicContact CE1-CG2 4.11Å; L135-I254 HydrophobicContact CD1-CG2 3.84Å; P245-I254 HydrophobicContact CB-CD1 4.33Å; P245-I254 HydrophobicContact CG-CD1 3.39Å; E250-I254 WeakPolarHBondContact O-CD1 3.41Å; E250-I254 VanDerWaalsContact O-CG1 3.31Å; E250-I254 WeakPolarHBondContact O-CG1 3.4Å; E250-I254 PolarHBondContact O-N 3.41Å; R251-I254 PolarHBondContact O-N 2.98Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 3.22Å; I254-D257 PolarHBondContact O-N 3.34Å; I254-L258 HydrophobicContact CG2-CD1 3.84Å; I254-L258 HydrophobicContact CG2-CG 4.1Å; I254-L258 WeakPolarHBondContact O-CB 3.28Å; I254-L258 WeakPolarHBondContact O-CG 3.22Å; I254-L258 PolarHBondContact O-N 3.45Å
255	L	86.7	Confident	86.2	Confident	29 Å²	29	70.7 Å²	70.7	15%	0.152	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-37.3	175.8	-84.7	173.8	0	0	0	112.6	K132 L135 R251 E252 D253 H259	K132-L255 HydrophobicContact CG-CD2 4.35Å; L135-L255 HydrophobicContact CB-CD1 4.3Å; L135-L255 HydrophobicContact CB-CD2 3.63Å; L135-L255 HydrophobicContact CB-CG 3.99Å; L135-L255 HydrophobicContact CD1-CD2 4.05Å; L135-L255 HydrophobicContact CD1-CG 4.09Å; L135-L255 HydrophobicContact CG-CD2 4.5Å; R251-L255 HydrophobicContact CG-CD1 4.46Å; R251-L255 WeakPolarHBondContact O-CB 3.37Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.05Å; E252-L255 PolarHBondContact O-N 3.28Å; D253-L255 VanDerWaalsContact C-N 3.35Å; D253-L255 PolarHBondContact O-N 3.09Å; L255-H259 PolarHBondContact O-N 3.37Å; L255-H259 PolarHBondContact O-ND1 2.87Å
256	R	88.4	Confident	86.8	Confident	174 Å²	174	74.9 Å²	74.9	66%	0.657	38%	0.375	S	S	*	.	H	α-helix	trans	-67.9	-44.9	174.4	-73.7	-171.9	-69.4	169.2	-4.3	111.7	E252 D253 I254 H259 G260	E252-R256 WeakPolarHBondContact O-CG 3.41Å; E252-R256 PolarHBondContact O-N 2.85Å; D253-R256 PolarHBondContact O-N 3.32Å; D253-R256 IonicContact OD1-CZ 3.61Å; D253-R256 IonicContact OD1-NE 2.85Å; D253-R256 IonicContact OD1-NH2 2.66Å; D253-R256 PolarHBondContact OD1-NH2 3.32Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 3.22Å; R256-H259 PolarHBondContact O-N 2.63Å; R256-G260 PolarHBondContact O-N 3.09Å; R256-G260 VanDerWaalsContact O-N 3.15Å
257	D	91.2	Very high	87.9	Confident	76 Å²	76	71 Å²	71	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-45.5	175.3	-178.9	34.2	0	0	0	111.7	D253 I254 H259 G260 R261	D253-D257 PolarHBondContact O-N 2.9Å; I254-D257 PolarHBondContact O-N 3.34Å; D257-H259 VanDerWaalsContact C-N 3.33Å; D257-H259 PolarHBondContact O-N 2.82Å; D257-G260 PolarHBondContact O-N 2.96Å; D257-R261 WeakPolarHBondContact O-CG 3.34Å; D257-R261 PolarHBondContact O-N 3.38Å; D257-R261 IonicContact OD1-CZ 2.63Å; D257-R261 IonicContact OD1-NE 2.75Å; D257-R261 PolarHBondContact OD1-NE 3.32Å; D257-R261 VanDerWaalsContact OD1-NE 3.09Å; D257-R261 IonicContact OD1-NH2 3.23Å; D257-R261 IonicContact OD2-CZ 3.74Å; D257-R261 VanDerWaalsContact OD2-CZ 3.24Å; D257-R261 IonicContact OD2-NE 3.56Å; D257-R261 PolarHBondContact OD2-NE 3.43Å; D257-R261 IonicContact OD2-NH2 2.98Å; D257-R261 PolarHBondContact OD2-NH2 2.9Å
258	L	90.8	Very high	88.7	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-39.1	176.8	-70.5	174.3	0	0	0	112.5	L128 Y131 L135 I254 R261 I262	L128-L258 HydrophobicContact CD2-CD2 3.81Å; Y131-L258 HydrophobicContact CD1-CD1 3.42Å; Y131-L258 VanDerWaalsContact CD1-CD1 3.42Å; Y131-L258 HydrophobicContact CD1-CD2 3.66Å; Y131-L258 HydrophobicContact CD1-CG 4.15Å; Y131-L258 HydrophobicContact CE1-CD1 3.71Å; Y131-L258 HydrophobicContact CE1-CD2 4.11Å; Y131-L258 HydrophobicContact CE1-CG 4.39Å; Y131-L258 HydrophobicContact CG-CD1 3.89Å; L135-L258 HydrophobicContact CD1-CD1 3.91Å; I254-L258 HydrophobicContact CG2-CD1 3.84Å; I254-L258 HydrophobicContact CG2-CG 4.1Å; I254-L258 WeakPolarHBondContact O-CB 3.28Å; I254-L258 WeakPolarHBondContact O-CG 3.22Å; I254-L258 PolarHBondContact O-N 3.45Å; L258-R261 PolarHBondContact O-N 3.19Å; L258-I262 WeakPolarHBondContact O-CB 3.48Å; L258-I262 WeakPolarHBondContact O-CD1 3.24Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.46Å
259	H	90.9	Very high	89.5	Confident	71 Å²	71	68.6 Å²	68.6	33%	0.329	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-47.9	174.8	-91.8	84.4	0	0	0	111.8	K132 L255 R256 D257 R261 I262 E263	K132-H259 WeakPolarHBondContact CE-CE1 3.42Å; K132-H259 WeakPolarHBondContact CE-NE2 3.34Å; K132-H259 PolarHBondContact NZ-CE1 2.95Å; K132-H259 PolarHBondContact NZ-NE2 3.42Å; L255-H259 PolarHBondContact O-N 3.37Å; L255-H259 PolarHBondContact O-ND1 2.87Å; R256-H259 PolarHBondContact O-N 2.63Å; D257-H259 VanDerWaalsContact C-N 3.33Å; D257-H259 PolarHBondContact O-N 2.82Å; H259-R261 PolarHBondContact O-N 2.74Å; H259-I262 PolarHBondContact O-N 2.92Å; H259-E263 WeakPolarHBondContact O-CG 3.2Å; H259-E263 PolarHBondContact O-N 3.5Å
260	G	93.4	Very high	90	Very high	30 Å²	30	69.2 Å²	69.2	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-49.3	176.5	0	0	0	0	0	112.1	R256 D257 I262 E263 D264	R256-G260 PolarHBondContact O-N 3.09Å; R256-G260 VanDerWaalsContact O-N 3.15Å; D257-G260 PolarHBondContact O-N 2.96Å; G260-I262 VanDerWaalsContact C-N 3.34Å; G260-I262 PolarHBondContact O-N 2.99Å; G260-E263 PolarHBondContact O-N 3.03Å; G260-D264 PolarHBondContact O-N 3.2Å
261	R	93.3	Very high	90.5	Very high	127 Å²	127	70 Å²	70	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-37.4	178.5	-65.9	-178.4	-165.9	-160.7	6.8	113.4	L128 D257 L258 H259 I265	L128-R261 HydrophobicContact CD1-CB 4.21Å; D257-R261 WeakPolarHBondContact O-CG 3.34Å; D257-R261 PolarHBondContact O-N 3.38Å; D257-R261 IonicContact OD1-CZ 2.63Å; D257-R261 IonicContact OD1-NE 2.75Å; D257-R261 PolarHBondContact OD1-NE 3.32Å; D257-R261 VanDerWaalsContact OD1-NE 3.09Å; D257-R261 IonicContact OD1-NH2 3.23Å; D257-R261 IonicContact OD2-CZ 3.74Å; D257-R261 VanDerWaalsContact OD2-CZ 3.24Å; D257-R261 IonicContact OD2-NE 3.56Å; D257-R261 PolarHBondContact OD2-NE 3.43Å; D257-R261 IonicContact OD2-NH2 2.98Å; D257-R261 PolarHBondContact OD2-NH2 2.9Å; L258-R261 PolarHBondContact O-N 3.19Å; H259-R261 PolarHBondContact O-N 2.74Å; R261-I265 WeakPolarHBondContact O-CB 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.43Å; R261-I265 PolarHBondContact O-N 3.47Å
262	I	92.4	Very high	91	Very high	4 Å²	4	71 Å²	71	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-42.7	176.9	-73.9	166.2	0	0	0	110.2	L125 L128 K132 L258 H259 G260 K266	L125-I262 HydrophobicContact CD1-CG2 4.04Å; L128-I262 HydrophobicContact CB-CD1 4.17Å; L128-I262 HydrophobicContact CB-CG1 3.74Å; L128-I262 HydrophobicContact CD1-CG1 4.31Å; K132-I262 HydrophobicContact CB-CD1 4.03Å; K132-I262 HydrophobicContact CD-CD1 3.84Å; L258-I262 WeakPolarHBondContact O-CB 3.48Å; L258-I262 WeakPolarHBondContact O-CD1 3.24Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.46Å; H259-I262 PolarHBondContact O-N 2.92Å; G260-I262 VanDerWaalsContact C-N 3.34Å; G260-I262 PolarHBondContact O-N 2.99Å; I262-K266 HydrophobicContact CG2-CD 3.93Å; I262-K266 HydrophobicContact CG2-CG 4.43Å; I262-K266 VanDerWaalsContact O-CB 3.31Å; I262-K266 WeakPolarHBondContact O-CB 3.39Å; I262-K266 WeakPolarHBondContact O-CG 3.34Å; I262-K266 PolarHBondContact O-N 3.22Å
263	E	93.4	Very high	91.3	Very high	128 Å²	128	68.7 Å²	68.7	60%	0.598	35%	0.346	S	S	*	.	H	α-helix	trans	-64.9	-43.1	177.1	-73.1	177.6	-172.4	0	0	111.6	H259 G260 K266 S267	H259-E263 WeakPolarHBondContact O-CG 3.2Å; H259-E263 PolarHBondContact O-N 3.5Å; G260-E263 PolarHBondContact O-N 3.03Å; E263-K266 PolarHBondContact O-N 2.91Å; E263-S267 PolarHBondContact O-N 3.42Å
264	D	94.1	Very high	91.4	Very high	110 Å²	110	67 Å²	67	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-60.5	-49.5	175.8	-69.9	-23.1	0	0	0	111.8	G260 K266 S267 V268	G260-D264 PolarHBondContact O-N 3.2Å; D264-K266 VanDerWaalsContact C-N 3.35Å; D264-K266 PolarHBondContact O-N 3.36Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 2.94Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 2.89Å
265	I	92.9	Very high	91.6	Very high	30 Å²	30	69.1 Å²	69.1	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-38.1	178.9	-69.4	176	0	0	0	111.2	L121 L125 L128 R261 S267 V268 L269	L121-I265 HydrophobicContact CD2-CG2 4.49Å; L125-I265 HydrophobicContact CB-CG2 4Å; L125-I265 HydrophobicContact CD1-CG2 4.16Å; L128-I265 HydrophobicContact CD1-CD1 3.52Å; R261-I265 WeakPolarHBondContact O-CB 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.43Å; R261-I265 PolarHBondContact O-N 3.47Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.25Å; I265-V268 PolarHBondContact O-N 3.22Å; I265-L269 WeakPolarHBondContact O-CB 3.29Å; I265-L269 PolarHBondContact O-N 3.19Å
266	K	91.9	Very high	91.7	Very high	103 Å²	103	68.1 Å²	68.1	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-41.7	174	-79.2	175.1	178.5	179.8	0	111.4	L125 I262 E263 D264 L269 S270	L125-K266 HydrophobicContact CD1-CG 3.89Å; L125-K266 HydrophobicContact CD2-CG 4.15Å; I262-K266 HydrophobicContact CG2-CD 3.93Å; I262-K266 HydrophobicContact CG2-CG 4.43Å; I262-K266 VanDerWaalsContact O-CB 3.31Å; I262-K266 WeakPolarHBondContact O-CB 3.39Å; I262-K266 WeakPolarHBondContact O-CG 3.34Å; I262-K266 PolarHBondContact O-N 3.22Å; E263-K266 PolarHBondContact O-N 2.91Å; D264-K266 VanDerWaalsContact C-N 3.35Å; D264-K266 PolarHBondContact O-N 3.36Å; K266-L269 PolarHBondContact O-N 3.15Å; K266-S270 WeakPolarHBondContact O-CB 3.3Å; K266-S270 PolarHBondContact O-N 2.9Å
267	S	93.6	Very high	91.6	Very high	58 Å²	58	65.4 Å²	65.4	41%	0.406	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-50.5	175.4	-174.9	0	0	0	0	111.3	E263 D264 I265 L269 S270 Q271	E263-S267 PolarHBondContact O-N 3.42Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 2.94Å; I265-S267 VanDerWaalsContact C-N 3.31Å; I265-S267 PolarHBondContact O-N 3.25Å; S267-L269 VanDerWaalsContact C-N 3.35Å; S267-L269 PolarHBondContact O-N 2.84Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact O-OG 3.34Å; S267-Q271 WeakPolarHBondContact O-CG 3.48Å; S267-Q271 PolarHBondContact O-N 2.88Å; S267-Q271 VanDerWaalsContact O-N 3.1Å
268	V	94.3	Very high	91.5	Very high	67 Å²	67	67.7 Å²	67.7	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-40.6	177.7	176.4	0	0	0	0	112	L121 D264 I265 Q271 T272	L121-V268 HydrophobicContact CD1-CG1 3.91Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 2.89Å; I265-V268 PolarHBondContact O-N 3.22Å; V268-Q271 PolarHBondContact O-N 2.96Å; V268-T272 WeakPolarHBondContact O-CB 3.41Å; V268-T272 PolarHBondContact O-N 3.34Å; V268-T272 PolarHBondContact O-OG1 2.68Å
269	L	91.3	Very high	91.4	Very high	17 Å²	17	67.9 Å²	67.9	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-43.3	177.5	-176.7	67.2	0	0	0	110.8	R118 L121 R122 L125 I265 K266 S267 Q271 T272 E273	R118-L269 HydrophobicContact CG-CD1 4.03Å; L121-L269 HydrophobicContact CB-CD1 4.16Å; R122-L269 HydrophobicContact CG-CD1 3.86Å; R122-L269 HydrophobicContact CG-CD2 4.01Å; L125-L269 HydrophobicContact CD2-CD2 3.93Å; I265-L269 WeakPolarHBondContact O-CB 3.29Å; I265-L269 PolarHBondContact O-N 3.19Å; K266-L269 PolarHBondContact O-N 3.15Å; S267-L269 VanDerWaalsContact C-N 3.35Å; S267-L269 PolarHBondContact O-N 2.84Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.48Å; L269-T272 PolarHBondContact O-N 3.43Å; L269-E273 HydrophobicContact CD1-CG 4.46Å; L269-E273 HydrophobicContact CG-CG 4.48Å; L269-E273 WeakPolarHBondContact O-CB 3.39Å; L269-E273 WeakPolarHBondContact O-CG 3.17Å; L269-E273 PolarHBondContact O-N 3.23Å
270	S	91.4	Very high	91.2	Very high	66 Å²	66	64.7 Å²	64.7	46%	0.462	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-40.1	177.3	76.2	0	0	0	0	112.5	K266 S267 E273 A274	K266-S270 WeakPolarHBondContact O-CB 3.3Å; K266-S270 PolarHBondContact O-N 2.9Å; S267-S270 PolarHBondContact O-N 3.43Å; S267-S270 PolarHBondContact O-OG 3.34Å; S270-E273 PolarHBondContact O-N 3.05Å; S270-A274 WeakPolarHBondContact O-CB 3.32Å; S270-A274 PolarHBondContact O-N 3.45Å
271	Q	92.4	Very high	90.9	Very high	128 Å²	128	69.5 Å²	69.5	60%	0.598	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-40	175.1	-67.4	176.9	6.4	0	0	111.6	S267 V268 L269 A274 F275	S267-Q271 WeakPolarHBondContact O-CG 3.48Å; S267-Q271 PolarHBondContact O-N 2.88Å; S267-Q271 VanDerWaalsContact O-N 3.1Å; V268-Q271 PolarHBondContact O-N 2.96Å; L269-Q271 VanDerWaalsContact C-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.48Å; Q271-A274 PolarHBondContact O-N 3.1Å; Q271-F275 WeakPolarHBondContact O-CB 3.35Å; Q271-F275 PolarHBondContact O-N 3.15Å
272	T	91.6	Very high	90.6	Very high	25 Å²	25	69.4 Å²	69.4	15%	0.153	35%	0.349	C	S	.	.	H	α-helix	trans	-65.5	-41	177	-55.1	0	0	0	0	111.4	V114 R118 V268 L269 F275 L276	V114-T272 HydrophobicContact CG1-CG2 3.98Å; R118-T272 HydrophobicContact CB-CG2 4.29Å; V268-T272 WeakPolarHBondContact O-CB 3.41Å; V268-T272 PolarHBondContact O-N 3.34Å; V268-T272 PolarHBondContact O-OG1 2.68Å; L269-T272 PolarHBondContact O-N 3.43Å; T272-F275 PolarHBondContact O-N 3.27Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 PolarHBondContact O-N 3.03Å
273	E	88.3	Confident	90.3	Very high	59 Å²	59	69.3 Å²	69.3	28%	0.276	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-39.8	175.9	-73.8	-176.5	171.6	0	0	112.1	R118 R122 L269 S270 L276 Q277	R118-E273 HydrophobicContact CG-CG 4.48Å; R122-E273 IonicContact CZ-OE1 2.82Å; R122-E273 IonicContact NE-OE1 2.94Å; R122-E273 PolarHBondContact NE-OE1 3.41Å; R122-E273 IonicContact NH2-OE1 3.37Å; R122-E273 PolarHBondContact NH2-OE1 3.09Å; L269-E273 HydrophobicContact CD1-CG 4.46Å; L269-E273 HydrophobicContact CG-CG 4.48Å; L269-E273 WeakPolarHBondContact O-CB 3.39Å; L269-E273 WeakPolarHBondContact O-CG 3.17Å; L269-E273 PolarHBondContact O-N 3.23Å; S270-E273 PolarHBondContact O-N 3.05Å; E273-L276 PolarHBondContact O-N 3.41Å; E273-Q277 WeakPolarHBondContact O-CB 3.26Å; E273-Q277 VanDerWaalsContact O-CG 3.3Å; E273-Q277 WeakPolarHBondContact O-CG 3.36Å; E273-Q277 PolarHBondContact O-N 3.11Å
274	A	89.9	Confident	90	Very high	45 Å²	45	65.8 Å²	65.8	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-43.1	173.4	0	0	0	0	0	111.7	S270 Q271 Q277 Q278	S270-A274 WeakPolarHBondContact O-CB 3.32Å; S270-A274 PolarHBondContact O-N 3.45Å; Q271-A274 PolarHBondContact O-N 3.1Å; A274-Q277 PolarHBondContact O-N 3.23Å; A274-Q278 WeakPolarHBondContact O-CG 3.46Å; A274-Q278 PolarHBondContact O-N 2.83Å
275	F	90.8	Very high	89.5	Confident	98 Å²	98	63.6 Å²	63.6	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.1	-175.7	-113.7	0	0	0	112.1	V114 Q271 T272 Q277 Q278 L279	V114-F275 HydrophobicContact CG1-CD1 4.35Å; V114-F275 HydrophobicContact CG2-CD1 3.77Å; V114-F275 HydrophobicContact CG2-CE1 3.66Å; Q271-F275 WeakPolarHBondContact O-CB 3.35Å; Q271-F275 PolarHBondContact O-N 3.15Å; T272-F275 PolarHBondContact O-N 3.27Å; F275-Q277 VanDerWaalsContact C-N 3.33Å; F275-Q277 PolarHBondContact O-N 3.37Å; F275-Q278 WeakPolarHBondContact O-CB 3.37Å; F275-Q278 PolarHBondContact O-N 2.94Å; F275-L279 HydrophobicContact CD1-CD1 4.04Å; F275-L279 HydrophobicContact CE1-CD1 3.58Å; F275-L279 HydrophobicContact CE1-CG 4.2Å; F275-L279 HydrophobicContact CZ-CD1 3.98Å; F275-L279 HydrophobicContact CZ-CD2 4.29Å; F275-L279 HydrophobicContact CZ-CG 4.18Å; F275-L279 PolarHBondContact O-N 2.89Å
276	L	88.9	Confident	89.2	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-44.8	173.8	179.5	62.9	0	0	0	111.2	L111 V114 T272 E273 Q278 L279 L280	L111-L276 HydrophobicContact CD1-CD1 3.39Å; L111-L276 HydrophobicContact CG-CD1 4.45Å; V114-L276 HydrophobicContact CG1-CB 3.88Å; V114-L276 HydrophobicContact CG1-CD1 4.01Å; V114-L276 HydrophobicContact CG1-CG 4.46Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 PolarHBondContact O-N 3.03Å; E273-L276 PolarHBondContact O-N 3.41Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 3.28Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-L280 HydrophobicContact CD1-CD1 4.19Å; L276-L280 HydrophobicContact CD1-CG 4.24Å; L276-L280 HydrophobicContact CG-CD1 3.89Å; L276-L280 HydrophobicContact CG-CG 4.37Å; L276-L280 WeakPolarHBondContact O-CB 3.18Å; L276-L280 VanDerWaalsContact O-CG 3.25Å; L276-L280 WeakPolarHBondContact O-CG 2.95Å; L276-L280 PolarHBondContact O-N 3.17Å
277	Q	86.8	Confident	89	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-39.9	176.7	-75.3	177.4	4.2	0	0	112.2	E273 A274 F275 L280 Q281	E273-Q277 WeakPolarHBondContact O-CB 3.26Å; E273-Q277 VanDerWaalsContact O-CG 3.3Å; E273-Q277 WeakPolarHBondContact O-CG 3.36Å; E273-Q277 PolarHBondContact O-N 3.11Å; A274-Q277 PolarHBondContact O-N 3.23Å; F275-Q277 VanDerWaalsContact C-N 3.33Å; F275-Q277 PolarHBondContact O-N 3.37Å; Q277-L280 PolarHBondContact O-N 3.45Å; Q277-Q281 WeakPolarHBondContact O-CB 3.22Å; Q277-Q281 VanDerWaalsContact O-CG 3.25Å; Q277-Q281 WeakPolarHBondContact O-CG 3.43Å; Q277-Q281 PolarHBondContact O-N 3.43Å
278	Q	89.5	Confident	88.5	Confident	124 Å²	124	57.8 Å²	57.8	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-44.5	175.3	-71.8	175.4	-11.8	0	0	112	A274 F275 L276 Q281 R282	A274-Q278 WeakPolarHBondContact O-CG 3.46Å; A274-Q278 PolarHBondContact O-N 2.83Å; F275-Q278 WeakPolarHBondContact O-CB 3.37Å; F275-Q278 PolarHBondContact O-N 2.94Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 3.28Å; Q278-Q281 PolarHBondContact O-N 3.22Å; Q278-R282 PolarHBondContact O-N 3.33Å
279	L	88.6	Confident	88.1	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-43.2	175.9	-70.6	178.1	0	0	0	112	L107 E110 L111 V114 F275 L276 R282 A283	L107-L279 HydrophobicContact CD1-CD2 4.19Å; E110-L279 HydrophobicContact CB-CD1 4.37Å; L111-L279 HydrophobicContact CD1-CB 4.31Å; V114-L279 HydrophobicContact CG2-CD1 4.08Å; F275-L279 HydrophobicContact CD1-CD1 4.04Å; F275-L279 HydrophobicContact CE1-CD1 3.58Å; F275-L279 HydrophobicContact CE1-CG 4.2Å; F275-L279 HydrophobicContact CZ-CD1 3.98Å; F275-L279 HydrophobicContact CZ-CD2 4.29Å; F275-L279 HydrophobicContact CZ-CG 4.18Å; F275-L279 PolarHBondContact O-N 2.89Å; L276-L279 PolarHBondContact O-N 3.38Å; L279-R282 WeakPolarHBondContact O-CB 3.44Å; L279-R282 PolarHBondContact O-N 2.93Å; L279-A283 PolarHBondContact O-N 2.83Å
280	L	86.4	Confident	88	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-40.9	177.5	-72.1	170.6	0	0	0	111.9	I72 L76 L111 L276 Q277 R282 A283 V284	I72-L280 HydrophobicContact CG1-CD2 3.89Å; L76-L280 HydrophobicContact CD1-CB 4.02Å; L76-L280 HydrophobicContact CD1-CD1 4.31Å; L111-L280 HydrophobicContact CD1-CD2 3.83Å; L111-L280 HydrophobicContact CD1-CG 4.11Å; L111-L280 HydrophobicContact CD2-CD2 4.17Å; L276-L280 HydrophobicContact CD1-CD1 4.19Å; L276-L280 HydrophobicContact CD1-CG 4.24Å; L276-L280 HydrophobicContact CG-CD1 3.89Å; L276-L280 HydrophobicContact CG-CG 4.37Å; L276-L280 WeakPolarHBondContact O-CB 3.18Å; L276-L280 VanDerWaalsContact O-CG 3.25Å; L276-L280 WeakPolarHBondContact O-CG 2.95Å; L276-L280 PolarHBondContact O-N 3.17Å; Q277-L280 PolarHBondContact O-N 3.45Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.41Å; L280-A283 WeakPolarHBondContact O-CB 3.42Å; L280-A283 PolarHBondContact O-N 2.97Å; L280-V284 VanDerWaalsContact O-CG2 3.29Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 3.46Å
281	Q	86.6	Confident	87.8	Confident	130 Å²	130	58.6 Å²	58.6	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-61.8	-41.2	174.7	-75.9	174.5	6.1	0	0	111.8	Q277 Q278 V284 A285	Q277-Q281 WeakPolarHBondContact O-CB 3.22Å; Q277-Q281 VanDerWaalsContact O-CG 3.25Å; Q277-Q281 WeakPolarHBondContact O-CG 3.43Å; Q277-Q281 PolarHBondContact O-N 3.43Å; Q278-Q281 PolarHBondContact O-N 3.22Å; Q281-V284 PolarHBondContact O-N 3.28Å; Q281-A285 PolarHBondContact O-N 2.8Å; Q281-A285 VanDerWaalsContact O-N 3.17Å
282	R	87.9	Confident	87.5	Confident	126 Å²	126	53 Å²	53	48%	0.475	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-43.2	173	-176.3	179.7	178.5	-173	-0.6	111.4	Q278 L279 L280 A285 L286	Q278-R282 PolarHBondContact O-N 3.33Å; L279-R282 WeakPolarHBondContact O-CB 3.44Å; L279-R282 PolarHBondContact O-N 2.93Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.41Å; R282-A285 PolarHBondContact O-N 3.37Å; R282-L286 HydrophobicContact CG-CD1 4.02Å; R282-L286 PolarHBondContact O-N 3.47Å
283	A	86.4	Confident	87.3	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.8	0	0	0	0	0	111.6	I72 L107 L279 L280 A285 L286 L287	I72-A283 HydrophobicContact CD1-CB 4.11Å; L107-A283 HydrophobicContact CD2-CB 3.86Å; L279-A283 PolarHBondContact O-N 2.83Å; L280-A283 WeakPolarHBondContact O-CB 3.42Å; L280-A283 PolarHBondContact O-N 2.97Å; A283-A285 VanDerWaalsContact C-N 3.25Å; A283-A285 PolarHBondContact O-N 2.97Å; A283-L286 PolarHBondContact O-N 3.2Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 PolarHBondContact O-N 2.95Å
284	V	85.8	Confident	87.4	Confident	54 Å²	54	52.4 Å²	52.4	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-34.8	179	169.3	0	0	0	0	112.1	I72 L76 L82 L280 Q281 P288	I72-V284 HydrophobicContact CD1-CG2 3.93Å; I72-V284 HydrophobicContact CG1-CG2 4.17Å; I72-V284 HydrophobicContact CG2-CG2 3.9Å; L76-V284 HydrophobicContact CD1-CG2 4.41Å; L82-V284 HydrophobicContact CD2-CB 4.45Å; L82-V284 HydrophobicContact CD2-CG1 4.06Å; L82-V284 WeakPolarHBondContact CD2-O 3.16Å; L280-V284 VanDerWaalsContact O-CG2 3.29Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 3.46Å; Q281-V284 PolarHBondContact O-N 3.28Å; V284-P288 VanDerWaalsContact O-CD 3.27Å; V284-P288 WeakPolarHBondContact O-CD 3.42Å
285	A	84.9	Confident	87.3	Confident	63 Å²	63	51.7 Å²	51.7	52%	0.521	25%	0.249	S	C	.	.	H	α-helix	trans	-72.5	-36.5	178.4	0	0	0	0	0	113.4	Q281 R282 A283	Q281-A285 PolarHBondContact O-N 2.8Å; Q281-A285 VanDerWaalsContact O-N 3.17Å; R282-A285 PolarHBondContact O-N 3.37Å; A283-A285 VanDerWaalsContact C-N 3.25Å; A283-A285 PolarHBondContact O-N 2.97Å
286	L	86.8	Confident	87.3	Confident	44 Å²	44	47.2 Å²	47.2	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-95.2	-35.5	-171.9	-64.3	173.7	0	0	0	113.5	R282 A283 P288 Q289 W290	R282-L286 HydrophobicContact CG-CD1 4.02Å; R282-L286 PolarHBondContact O-N 3.47Å; A283-L286 PolarHBondContact O-N 3.2Å; L286-P288 VanDerWaalsContact C-CD 3.46Å; L286-Q289 WeakPolarHBondContact O-CB 3.41Å; L286-Q289 PolarHBondContact O-N 3.46Å; L286-W290 HydrophobicContact CB-CD2 4.09Å; L286-W290 HydrophobicContact CB-CE3 4.23Å; L286-W290 HydrophobicContact CB-CH2 4.06Å; L286-W290 HydrophobicContact CB-CZ2 3.9Å; L286-W290 HydrophobicContact CB-CZ3 4.22Å; L286-W290 HydrophobicContact CD1-CH2 3.89Å; L286-W290 HydrophobicContact CD1-CZ2 3.73Å; L286-W290 HydrophobicContact CG-CZ2 4.33Å; L286-W290 PolarHBondContact O-N 2.93Å
287	L	86.1	Confident	87.3	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-54.4	-43.4	-173.2	-174.3	69.2	0	0	0	114	F65 L68 E69 I72 L82 A283 Q289 W290 K291	F65-L287 HydrophobicContact CB-CD1 3.81Å; F65-L287 HydrophobicContact CD1-CD1 3.89Å; F65-L287 HydrophobicContact CG-CD1 3.93Å; L68-L287 HydrophobicContact CB-CD1 4.34Å; L68-L287 HydrophobicContact CD1-CD1 4.25Å; E69-L287 HydrophobicContact CB-CD2 4.25Å; I72-L287 HydrophobicContact CD1-CD2 3.82Å; L82-L287 HydrophobicContact CD1-CD2 4.23Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 PolarHBondContact O-N 2.95Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.35Å; L287-W290 PolarHBondContact O-N 2.96Å; L287-K291 WeakPolarHBondContact O-CB 3.24Å; L287-K291 PolarHBondContact O-N 3.19Å
288	P	84.3	Confident	87.4	Confident	19 Å²	19	43.2 Å²	43.2	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-36.7	178.7	-21.4	33.3	0	0	0	112.8	L82 P85 V284 L286 V292	L82-P288 HydrophobicContact CB-CG 4.15Å; L82-P288 HydrophobicContact CD2-CG 3.55Å; L82-P288 HydrophobicContact CG-CG 4.47Å; P85-P288 HydrophobicContact CG-CB 4.45Å; V284-P288 VanDerWaalsContact O-CD 3.27Å; V284-P288 WeakPolarHBondContact O-CD 3.42Å; L286-P288 VanDerWaalsContact C-CD 3.46Å; P288-V292 WeakPolarHBondContact O-CG2 3.31Å; P288-V292 PolarHBondContact O-N 3.02Å
289	Q	85.8	Confident	87.5	Confident	79 Å²	79	37.8 Å²	37.8	37%	0.369	19%	0.186	S	C	.	.	H	α-helix	trans	-71.5	-43.9	179.1	-60.9	-175.7	10.9	0	0	111.1	P85 L286 L287 R293	P85-Q289 HydrophobicContact CB-CG 3.94Å; P85-Q289 HydrophobicContact CG-CG 4.42Å; L286-Q289 WeakPolarHBondContact O-CB 3.41Å; L286-Q289 PolarHBondContact O-N 3.46Å; L287-Q289 VanDerWaalsContact C-N 3.3Å; L287-Q289 PolarHBondContact O-N 3.35Å; Q289-R293 WeakPolarHBondContact O-CB 3.34Å; Q289-R293 WeakPolarHBondContact O-CG 3.47Å; Q289-R293 PolarHBondContact O-N 3.31Å; Q289-R293 VanDerWaalsContact O-N 3.08Å
290	W	88.7	Confident	87.6	Confident	10 Å²	10	37.2 Å²	37.2	4%	0.038	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-43.5	176.8	-67.9	-20.4	0	0	0	112.1	F65 I100 E103 L107 L286 L287 V292 R293 V294	F65-W290 HydrophobicContact CE1-CB 4.09Å; F65-W290 HydrophobicContact CE1-CE3 4.05Å; F65-W290 HydrophobicContact CE2-CB 4.09Å; F65-W290 HydrophobicContact CZ-CB 3.65Å; F65-W290 HydrophobicContact CZ-CG 4.46Å; I100-W290 HydrophobicContact CG2-CB 4.32Å; I100-W290 HydrophobicContact CG2-CD2 4.36Å; I100-W290 HydrophobicContact CG2-CG 3.96Å; E103-W290 HydrophobicContact CB-CH2 4.25Å; E103-W290 HydrophobicContact CB-CZ2 4.01Å; L107-W290 HydrophobicContact CD2-CH2 4.18Å; L107-W290 HydrophobicContact CD2-CZ3 4.04Å; L286-W290 HydrophobicContact CB-CD2 4.09Å; L286-W290 HydrophobicContact CB-CE3 4.23Å; L286-W290 HydrophobicContact CB-CH2 4.06Å; L286-W290 HydrophobicContact CB-CZ2 3.9Å; L286-W290 HydrophobicContact CB-CZ3 4.22Å; L286-W290 HydrophobicContact CD1-CH2 3.89Å; L286-W290 HydrophobicContact CD1-CZ2 3.73Å; L286-W290 HydrophobicContact CG-CZ2 4.33Å; L286-W290 PolarHBondContact O-N 2.93Å; L287-W290 PolarHBondContact O-N 2.96Å; W290-V292 PolarHBondContact O-N 2.95Å; W290-R293 PolarHBondContact O-N 3.16Å; W290-V294 WeakPolarHBondContact O-CG2 3.39Å; W290-V294 PolarHBondContact O-N 3.45Å
291	K	87.1	Confident	87.8	Confident	77 Å²	77	37.2 Å²	37.2	34%	0.335	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-51.5	178	-172.5	172	-177.2	171.9	0	111.5	L287 R293 V294 Q295	L287-K291 WeakPolarHBondContact O-CB 3.24Å; L287-K291 PolarHBondContact O-N 3.19Å; K291-R293 PolarHBondContact O-N 3.4Å; K291-V294 PolarHBondContact O-N 3.25Å; K291-Q295 WeakPolarHBondContact O-CB 3.42Å; K291-Q295 WeakPolarHBondContact O-CG 3.47Å; K291-Q295 PolarHBondContact O-N 3.39Å
292	V	86.6	Confident	88	Confident	11 Å²	11	35.1 Å²	35.1	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-43.3	179.3	175.5	0	0	0	0	111.5	P85 V88 P89 P288 W290 Q295 K296 I818	P85-V292 HydrophobicContact CG-CG2 4Å; V88-V292 HydrophobicContact CG1-CG1 4.19Å; P89-V292 HydrophobicContact CG-CB 4.09Å; P89-V292 HydrophobicContact CG-CG1 3.86Å; P288-V292 WeakPolarHBondContact O-CG2 3.31Å; P288-V292 PolarHBondContact O-N 3.02Å; W290-V292 PolarHBondContact O-N 2.95Å; V292-Q295 PolarHBondContact O-N 3.36Å; V292-K296 HydrophobicContact CG1-CD 4.47Å; V292-K296 HydrophobicContact CG1-CG 4.5Å; V292-K296 WeakPolarHBondContact O-CG 3.36Å; V292-K296 PolarHBondContact O-N 2.85Å; V292-I818 HydrophobicContact CG1-CD1 3.69Å; V292-I818 HydrophobicContact CG1-CG1 4.27Å
293	R	88.1	Confident	88.1	Confident	70 Å²	70	29.5 Å²	29.5	26%	0.264	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-44.9	179.9	-76.8	-176.3	-177.7	175.2	4.2	112.8	P89 P92 I100 Q289 W290 K291 K296 C297	P89-R293 HydrophobicContact CB-CG 3.98Å; P89-R293 HydrophobicContact CG-CG 3.94Å; P92-R293 WeakPolarHBondContact CD-O 3.29Å; P92-R293 HydrophobicContact CG-CB 4Å; I100-R293 HydrophobicContact CD1-CB 4.46Å; Q289-R293 WeakPolarHBondContact O-CB 3.34Å; Q289-R293 WeakPolarHBondContact O-CG 3.47Å; Q289-R293 PolarHBondContact O-N 3.31Å; Q289-R293 VanDerWaalsContact O-N 3.08Å; W290-R293 PolarHBondContact O-N 3.16Å; K291-R293 PolarHBondContact O-N 3.4Å; R293-K296 PolarHBondContact O-N 2.85Å; R293-C297 WeakPolarHBondContact O-CB 3.24Å; R293-C297 PolarHBondContact O-N 3.46Å
294	V	89.6	Confident	88.3	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-68.6	-39.5	178.9	173.6	0	0	0	0	111	C58 L61 E62 F65 L97 I100 W290 K291 K296 C297 K298	C58-V294 HydrophobicContact CB-CG1 4Å; L61-V294 HydrophobicContact CB-CG1 4.18Å; L61-V294 HydrophobicContact CD1-CG2 4.19Å; E62-V294 HydrophobicContact CG-CG1 4.28Å; F65-V294 HydrophobicContact CE2-CB 3.92Å; F65-V294 HydrophobicContact CE2-CG1 4.39Å; F65-V294 HydrophobicContact CE2-CG2 3.61Å; F65-V294 HydrophobicContact CZ-CG2 3.88Å; L97-V294 HydrophobicContact CD1-CG2 4.1Å; I100-V294 HydrophobicContact CG2-CG2 4.48Å; W290-V294 WeakPolarHBondContact O-CG2 3.39Å; W290-V294 PolarHBondContact O-N 3.45Å; K291-V294 PolarHBondContact O-N 3.25Å; V294-K296 PolarHBondContact O-N 2.95Å; V294-C297 PolarHBondContact O-N 3.07Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.08Å
295	Q	88.1	Confident	88.5	Confident	31 Å²	31	27.7 Å²	27.7	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-44.7	173.9	-75.3	176.8	-17.6	0	0	112.2	K291 V292 K298 A299 S821	K291-Q295 WeakPolarHBondContact O-CB 3.42Å; K291-Q295 WeakPolarHBondContact O-CG 3.47Å; K291-Q295 PolarHBondContact O-N 3.39Å; V292-Q295 PolarHBondContact O-N 3.36Å; Q295-K298 PolarHBondContact O-N 2.91Å; Q295-A299 WeakPolarHBondContact O-CB 3.21Å; Q295-A299 PolarHBondContact O-N 2.88Å; Q295-S821 PolarHBondContact NE2-OG 3.06Å; Q295-S821 PolarHBondContact OE1-OG 2.93Å
296	K	89.4	Confident	88.7	Confident	3 Å²	3	26.7 Å²	26.7	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-46	173.8	-72.7	-169.8	174	-169.1	0	111.4	E31 P89 A91 V292 R293 V294 A299 I300 F814	E31-K296 IonicContact OE1-NZ 3.92Å; E31-K296 PolarHBondContact OE1-NZ 3.23Å; E31-K296 IonicContact OE2-NZ 3.62Å; P89-K296 WeakPolarHBondContact O-CE 3.42Å; P89-K296 PolarHBondContact O-NZ 3.48Å; A91-K296 HydrophobicContact CB-CB 4.27Å; A91-K296 HydrophobicContact CB-CD 4.44Å; V292-K296 HydrophobicContact CG1-CD 4.47Å; V292-K296 HydrophobicContact CG1-CG 4.5Å; V292-K296 WeakPolarHBondContact O-CG 3.36Å; V292-K296 PolarHBondContact O-N 2.85Å; R293-K296 PolarHBondContact O-N 2.85Å; V294-K296 PolarHBondContact O-N 2.95Å; K296-A299 WeakPolarHBondContact O-CB 3.16Å; K296-A299 PolarHBondContact O-N 3.48Å; K296-I300 VanDerWaalsContact O-CG1 3.3Å; K296-I300 WeakPolarHBondContact O-CG1 3.38Å; K296-I300 PolarHBondContact O-N 3.49Å; K296-F814 HydrophobicContact CB-CD1 4.01Å; K296-F814 HydrophobicContact CB-CE1 3.87Å; K296-F814 HydrophobicContact CB-CZ 4.32Å; K296-F814 HydrophobicContact CD-CB 4.4Å; K296-F814 HydrophobicContact CD-CD1 4.26Å; K296-F814 HydrophobicContact CD-CD2 4.07Å; K296-F814 HydrophobicContact CD-CE2 4.39Å; K296-F814 HydrophobicContact CD-CG 4Å; K296-F814 HydrophobicContact CG-CB 4.24Å; K296-F814 HydrophobicContact CG-CD1 3.62Å; K296-F814 HydrophobicContact CG-CD2 4.33Å; K296-F814 HydrophobicContact CG-CE1 3.99Å; K296-F814 HydrophobicContact CG-CG 3.82Å; K296-F814 HydrophobicContact CG-CZ 4.49Å
297	C	89.4	Confident	88.9	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-48.1	178.6	-172.5	0	0	0	0	112	Y23 P92 R293 V294 A299 I300 Q301	Y23-C297 PolarHBondContact OH-SG 2.66Å; P92-C297 HydrophobicContact CG-CB 4.22Å; R293-C297 WeakPolarHBondContact O-CB 3.24Å; R293-C297 PolarHBondContact O-N 3.46Å; V294-C297 PolarHBondContact O-N 3.07Å; C297-A299 VanDerWaalsContact C-N 3.3Å; C297-A299 PolarHBondContact O-N 3.33Å; C297-I300 PolarHBondContact O-N 2.93Å; C297-Q301 WeakPolarHBondContact O-CG 3.48Å; C297-Q301 PolarHBondContact O-N 3.27Å
298	K	90.4	Very high	88.9	Confident	41 Å²	41	25.8 Å²	25.8	18%	0.178	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-45.5	175.9	-173.9	-179.9	-176.9	178.1	0	111.3	C58 E59 E62 V294 Q295 Q301 L302	C58-K298 HydrophobicContact CB-CB 3.92Å; C58-K298 HydrophobicContact CB-CG 4.22Å; E59-K298 IonicContact OE1-NZ 2.75Å; E62-K298 WeakPolarHBondContact OE1-CD 3.42Å; E62-K298 IonicContact OE1-NZ 3.53Å; E62-K298 IonicContact OE2-NZ 3.59Å; E62-K298 PolarHBondContact OE2-NZ 3.49Å; V294-K298 WeakPolarHBondContact O-CB 3.32Å; V294-K298 PolarHBondContact O-N 3.08Å; Q295-K298 PolarHBondContact O-N 2.91Å; K298-Q301 PolarHBondContact O-N 3.46Å; K298-L302 HydrophobicContact CG-CD1 4.26Å; K298-L302 VanDerWaalsContact O-CG 3.3Å; K298-L302 WeakPolarHBondContact O-CG 3.43Å; K298-L302 PolarHBondContact O-N 3Å
299	A	90.4	Very high	88.9	Confident	9 Å²	9	28 Å²	28	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-43.5	178	0	0	0	0	0	112.6	Q295 K296 C297 L302 V303 F812 F814 L817	Q295-A299 WeakPolarHBondContact O-CB 3.21Å; Q295-A299 PolarHBondContact O-N 2.88Å; K296-A299 WeakPolarHBondContact O-CB 3.16Å; K296-A299 PolarHBondContact O-N 3.48Å; C297-A299 VanDerWaalsContact C-N 3.3Å; C297-A299 PolarHBondContact O-N 3.33Å; A299-L302 PolarHBondContact O-N 3.24Å; A299-V303 WeakPolarHBondContact O-CG2 3.48Å; A299-V303 PolarHBondContact O-N 3.4Å; A299-V303 VanDerWaalsContact O-N 3.09Å; A299-F812 HydrophobicContact CB-CE2 3.93Å; A299-F812 HydrophobicContact CB-CZ 4.12Å; A299-F814 HydrophobicContact CB-CE1 4.22Å; A299-L817 HydrophobicContact CB-CD1 3.57Å
300	I	91.5	Very high	88.5	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-47	174.7	-66.2	160.9	0	0	0	110.6	Y23 V26 A91 K296 C297 L302 V303 L304 F814	Y23-I300 HydrophobicContact CD2-CG2 3.6Å; Y23-I300 HydrophobicContact CE1-CD1 4.13Å; Y23-I300 HydrophobicContact CE2-CB 4.17Å; Y23-I300 HydrophobicContact CE2-CD1 4.29Å; Y23-I300 HydrophobicContact CE2-CG2 3.63Å; Y23-I300 HydrophobicContact CG-CG2 4.2Å; V26-I300 HydrophobicContact CB-CG2 4.11Å; V26-I300 HydrophobicContact CG1-CB 4.33Å; V26-I300 HydrophobicContact CG1-CG1 4.34Å; V26-I300 HydrophobicContact CG1-CG2 3.87Å; A91-I300 HydrophobicContact CB-CD1 3.69Å; K296-I300 VanDerWaalsContact O-CG1 3.3Å; K296-I300 WeakPolarHBondContact O-CG1 3.38Å; K296-I300 PolarHBondContact O-N 3.49Å; C297-I300 PolarHBondContact O-N 2.93Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.15Å; I300-V303 PolarHBondContact O-N 3.32Å; I300-V303 VanDerWaalsContact O-N 3.16Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.31Å; I300-L304 PolarHBondContact O-N 2.99Å; I300-F814 HydrophobicContact CD1-CE1 4.39Å; I300-F814 HydrophobicContact CD1-CZ 3.84Å; I300-F814 HydrophobicContact CG1-CE1 4.02Å; I300-F814 HydrophobicContact CG1-CZ 3.7Å
301	Q	90	Very high	87.6	Confident	4 Å²	4	33 Å²	33	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-34	-179.3	-66.1	-63.4	0.9	0	0	112.7	E54 V55 C297 K298 L304 N305	E54-Q301 HydrophobicContact CB-CG 4.04Å; E54-Q301 PolarHBondContact OE2-NE2 3.47Å; V55-Q301 HydrophobicContact CG2-CB 3.8Å; C297-Q301 WeakPolarHBondContact O-CG 3.48Å; C297-Q301 PolarHBondContact O-N 3.27Å; K298-Q301 PolarHBondContact O-N 3.46Å; Q301-L304 PolarHBondContact O-N 3.02Å; Q301-N305 PolarHBondContact O-N 2.94Å; Q301-N305 PolarHBondContact O-ND2 3.27Å
302	L	89.8	Confident	86.8	Confident	85 Å²	85	33.7 Å²	33.7	45%	0.445	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-40.9	172	-73.2	170.9	0	0	0	111.9	V55 K298 A299 I300 N305 L306	V55-L302 HydrophobicContact CG1-CD2 4.13Å; V55-L302 HydrophobicContact CG2-CD2 4.12Å; V55-L302 HydrophobicContact CG2-CG 4.36Å; K298-L302 HydrophobicContact CG-CD1 4.26Å; K298-L302 VanDerWaalsContact O-CG 3.3Å; K298-L302 WeakPolarHBondContact O-CG 3.43Å; K298-L302 PolarHBondContact O-N 3Å; A299-L302 PolarHBondContact O-N 3.24Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.15Å; L302-N305 WeakPolarHBondContact O-CB 3.36Å; L302-N305 PolarHBondContact O-N 3.45Å; L302-L306 PolarHBondContact O-N 2.85Å
303	V	90.8	Very high	86	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-41.8	174.6	169.8	0	0	0	0	111.7	V26 F37 A299 I300 N305 L306 C307 F812	V26-V303 HydrophobicContact CG1-CB 3.95Å; V26-V303 HydrophobicContact CG1-CG1 3.69Å; V26-V303 HydrophobicContact CG2-CG1 4.33Å; F37-V303 HydrophobicContact CD1-CG1 3.92Å; F37-V303 HydrophobicContact CD2-CB 4.48Å; F37-V303 HydrophobicContact CD2-CG1 3.52Å; F37-V303 HydrophobicContact CD2-CG2 4.1Å; F37-V303 HydrophobicContact CE1-CG1 3.85Å; F37-V303 HydrophobicContact CE2-CG1 3.46Å; F37-V303 VanDerWaalsContact CE2-CG1 3.46Å; F37-V303 HydrophobicContact CE2-CG2 4.34Å; F37-V303 HydrophobicContact CG-CG1 3.75Å; F37-V303 HydrophobicContact CZ-CG1 3.62Å; A299-V303 WeakPolarHBondContact O-CG2 3.48Å; A299-V303 PolarHBondContact O-N 3.4Å; A299-V303 VanDerWaalsContact O-N 3.09Å; I300-V303 PolarHBondContact O-N 3.32Å; I300-V303 VanDerWaalsContact O-N 3.16Å; V303-N305 PolarHBondContact O-N 3Å; V303-L306 WeakPolarHBondContact O-CB 3.37Å; V303-L306 PolarHBondContact O-N 3.33Å; V303-C307 PolarHBondContact O-SG 3.42Å; V303-C307 VanDerWaalsContact O-SG 3.34Å; V303-F812 HydrophobicContact CG2-CD1 4.19Å; V303-F812 HydrophobicContact CG2-CD2 3.54Å; V303-F812 HydrophobicContact CG2-CE1 4.04Å; V303-F812 HydrophobicContact CG2-CE2 3.37Å; V303-F812 HydrophobicContact CG2-CG 3.95Å; V303-F812 HydrophobicContact CG2-CZ 3.64Å
304	L	90.5	Very high	85.6	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-30.2	175.4	-69.7	172.7	0	0	0	112.2	A22 Y23 V26 F51 I300 Q301 L306 C307 L316	A22-L304 HydrophobicContact CB-CD2 3.95Å; Y23-L304 HydrophobicContact CD2-CD1 4.27Å; V26-L304 HydrophobicContact CG2-CD2 3.9Å; F51-L304 HydrophobicContact CD2-CB 3.72Å; F51-L304 HydrophobicContact CE2-CB 3.81Å; F51-L304 HydrophobicContact CG-CB 4.24Å; F51-L304 HydrophobicContact CZ-CB 4.39Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.31Å; I300-L304 PolarHBondContact O-N 2.99Å; Q301-L304 PolarHBondContact O-N 3.02Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 3.04Å; L304-C307 WeakPolarHBondContact O-CB 3.22Å; L304-C307 PolarHBondContact O-N 3.22Å; L304-L316 HydrophobicContact CD2-CD1 3.95Å
305	N	90.4	Very high	85.4	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.064	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-19	172.9	-82.8	-35.7	0	0	0	114.3	R49 F51 Q301 L302 V303 C307	R49-N305 HydrophobicContact CB-CB 4.39Å; F51-N305 WeakPolarHBondContact CA-OD1 3.33Å; F51-N305 VanDerWaalsContact CB-OD1 3.27Å; F51-N305 WeakPolarHBondContact CB-OD1 3.24Å; F51-N305 PolarHBondContact N-OD1 3.49Å; Q301-N305 PolarHBondContact O-N 2.94Å; Q301-N305 PolarHBondContact O-ND2 3.27Å; L302-N305 WeakPolarHBondContact O-CB 3.36Å; L302-N305 PolarHBondContact O-N 3.45Å; V303-N305 PolarHBondContact O-N 3Å; N305-C307 VanDerWaalsContact C-N 3.35Å
306	L	89.1	Confident	85.4	Confident	43 Å²	43	42.4 Å²	42.4	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-80.6	-19.4	173	-62.3	167.6	0	0	0	112.1	F37 D39 L40 L302 V303 L304	F37-L306 HydrophobicContact CB-CD1 4.03Å; D39-L306 HydrophobicContact CB-CD2 3.8Å; L40-L306 PolarHBondContact N-O 3.39Å; L302-L306 PolarHBondContact O-N 2.85Å; V303-L306 WeakPolarHBondContact O-CB 3.37Å; V303-L306 PolarHBondContact O-N 3.33Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 3.04Å
307	C	89.9	Confident	85.5	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-77.3	148	-178.2	-56.6	0	0	0	0	111.4	N41 V303 L304 N305 L316 I317 A318	N41-C307 PolarHBondContact ND2-O 3.46Å; V303-C307 PolarHBondContact O-SG 3.42Å; V303-C307 VanDerWaalsContact O-SG 3.34Å; L304-C307 WeakPolarHBondContact O-CB 3.22Å; L304-C307 PolarHBondContact O-N 3.22Å; N305-C307 VanDerWaalsContact C-N 3.35Å; C307-L316 HydrophobicContact CB-CB 4.31Å; C307-I317 WeakPolarHBondContact CA-O 3.29Å; C307-A318 HydrophobicContact CB-CB 4.44Å
308	S	86.9	Confident	85.6	Confident	25 Å²	25	43.9 Å²	43.9	18%	0.175	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.8	172.8	63.1	0	0	0	0	111	I317	S308-I317 PolarHBondContact N-O 2.98Å; S308-I317 PolarHBondContact O-N 3.45Å
309	P	83.4	Confident	85.7	Confident	67 Å²	67	42.8 Å²	42.8	44%	0.435	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.8	171.5	29.3	-32	0	0	0	110.3	L316	P309-L316 HydrophobicContact CB-CD2 4.3Å
310	S	78.4	Confident	85.8	Confident	35 Å²	35	42.4 Å²	42.4	25%	0.245	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.2	155.8	169.1	-176.5	0	0	0	0	110.4	T312 D313 C315	S310-T312 PolarHBondContact O-N 2.88Å; S310-D313 WeakPolarHBondContact O-CA 3.49Å; S310-D313 PolarHBondContact O-N 2.97Å; S310-C315 WeakPolarHBondContact CB-O 3.44Å; S310-C315 PolarHBondContact N-O 3.12Å
311	V	70.5	Confident	85.8	Confident	157 Å²	157	43.1 Å²	43.1	95%	0.952	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.1	176.6	-175.7	0	0	0	0	112.8
312	T	69.5	Low	85.9	Confident	92 Å²	92	42.9 Å²	42.9	56%	0.564	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.8	179.2	59.8	0	0	0	0	114.5	S310 K314	S310-T312 PolarHBondContact O-N 2.88Å; T312-K314 WeakPolarHBondContact O-CG 3.34Å; T312-K314 PolarHBondContact O-N 3.27Å
313	D	70	Confident	85.9	Confident	94 Å²	94	39 Å²	39	50%	0.503	22%	0.22	S	C	.	.	S	Bend	trans	55.6	0.1	-176.5	-110.2	-34.6	0	0	0	116.1	K50 S310	K50-D313 IonicContact NZ-OD1 3.19Å; K50-D313 PolarHBondContact NZ-OD1 3.28Å; S310-D313 WeakPolarHBondContact O-CA 3.49Å; S310-D313 PolarHBondContact O-N 2.97Å
314	K	78.9	Confident	85.8	Confident	149 Å²	149	40.6 Å²	40.6	65%	0.648	23%	0.23	S	C	*	.	S	Bend	trans	-83	-20.9	-179.1	-71.5	176.8	-176.4	-177.5	0	113.2	S19 T312	S19-K314 PolarHBondContact N-O 3.49Å; S19-K314 PolarHBondContact OG-O 2.84Å; T312-K314 WeakPolarHBondContact O-CG 3.34Å; T312-K314 PolarHBondContact O-N 3.27Å
315	C	85.4	Confident	85.6	Confident	44 Å²	44	44.2 Å²	44.2	30%	0.297	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.6	-179.6	-61.3	0	0	0	0	110.8	L17 S310	L17-C315 CarbonylContact O-C 3.5Å; L17-C315 VanDerWaalsContact O-CA 3.29Å; L17-C315 WeakPolarHBondContact O-CA 3.33Å; S310-C315 WeakPolarHBondContact CB-O 3.44Å; S310-C315 PolarHBondContact N-O 3.12Å
316	L	89.5	Confident	85.5	Confident	10 Å²	10	47 Å²	47	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.5	167.7	-63.2	174.1	0	0	0	108.6	L17 A22 F51 L304 C307 P309	L17-L316 HydrophobicContact CB-CB 4.35Å; L17-L316 PolarHBondContact N-O 3.42Å; L17-L316 PolarHBondContact O-N 3.33Å; A22-L316 HydrophobicContact CB-CD1 3.84Å; F51-L316 HydrophobicContact CE2-CD1 4.24Å; F51-L316 HydrophobicContact CZ-CD1 4.17Å; L304-L316 HydrophobicContact CD2-CD1 3.95Å; C307-L316 HydrophobicContact CB-CB 4.31Å; P309-L316 HydrophobicContact CB-CD2 4.3Å
317	I	91.6	Very high	85.6	Confident	32 Å²	32	45.1 Å²	45.1	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130	175.1	-57.2	174.4	0	0	0	107	Q14 L15 F16 L40 C307 S308	Q14-I317 HydrophobicContact CG-CG2 3.68Å; L15-I317 WeakPolarHBondContact O-CA 3.39Å; F16-I317 HydrophobicContact CD1-CG1 4.04Å; F16-I317 HydrophobicContact CE1-CD1 4.07Å; F16-I317 HydrophobicContact CE1-CG1 3.99Å; L40-I317 VanDerWaalsContact CD1-O 3.26Å; L40-I317 WeakPolarHBondContact CD1-O 3.42Å; C307-I317 WeakPolarHBondContact CA-O 3.29Å; S308-I317 PolarHBondContact N-O 2.98Å; S308-I317 PolarHBondContact O-N 3.45Å
318	A	91.6	Very high	85.6	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.017	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.1	173.7	0	0	0	0	0	109.5	Q14 L15 F37 C307	Q14-A318 CarbonylContact C-O 3.42Å; Q14-A318 WeakPolarHBondContact CA-O 3.49Å; L15-A318 HydrophobicContact CB-CB 4.22Å; L15-A318 HydrophobicContact CD1-CB 4.45Å; L15-A318 PolarHBondContact N-O 2.57Å; L15-A318 PolarHBondContact O-N 3.31Å; F37-A318 HydrophobicContact CD1-CB 4.08Å; F37-A318 HydrophobicContact CE1-CB 4.09Å; C307-A318 HydrophobicContact CB-CB 4.44Å
319	E	92	Very high	85.8	Confident	19 Å²	19	51.9 Å²	51.9	9%	0.089	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.9	170.1	-74.7	178	170.6	0	0	108.5	L12 R38 L40	L12-E319 HydrophobicContact CD1-CB 4.47Å; R38-E319 HydrophobicContact CB-CB 4.26Å; R38-E319 IonicContact CZ-OE2 4Å; R38-E319 PolarHBondContact N-O 3.25Å; R38-E319 IonicContact NE-OE2 3.44Å; R38-E319 PolarHBondContact NE-OE2 3.48Å; R38-E319 IonicContact NH2-OE1 2.77Å; R38-E319 IonicContact NH2-OE2 3.84Å; R38-E319 PolarHBondContact NH2-OE2 3.47Å; L40-E319 HydrophobicContact CD1-CB 4.42Å; L40-E319 HydrophobicContact CD1-CG 4.35Å; L40-E319 HydrophobicContact CD2-CB 4.47Å; L40-E319 HydrophobicContact CD2-CG 3.98Å; L40-E319 HydrophobicContact CG-CB 4.48Å; L40-E319 HydrophobicContact CG-CG 4.46Å
320	A	91.9	Very high	86.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143.8	-172.8	0	0	0	0	0	112.8	V13 L15 V35 E36 F37	V13-A320 WeakPolarHBondContact CG2-O 3.5Å; V13-A320 PolarHBondContact N-O 2.81Å; V13-A320 PolarHBondContact O-N 3.31Å; L15-A320 HydrophobicContact CD1-CB 4.28Å; V35-A320 HydrophobicContact CG1-CB 3.13Å; E36-A320 CarbonylContact O-C 3.52Å; E36-A320 WeakPolarHBondContact O-CA 3.36Å; F37-A320 HydrophobicContact CD1-CB 4.11Å; F37-A320 HydrophobicContact CE1-CB 4.42Å
321	W	92.4	Very high	86.7	Confident	15 Å²	15	50.5 Å²	50.5	6%	0.057	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129	174.4	-66.7	114.8	0	0	0	109.9	V10 L12 V35 E36 C354 P358 P359 Y807 L809	V10-W321 HydrophobicContact CG1-CB 3.89Å; V10-W321 HydrophobicContact CG1-CD2 4.45Å; V10-W321 HydrophobicContact CG1-CE3 3.89Å; L12-W321 HydrophobicContact CB-CE3 3.87Å; L12-W321 HydrophobicContact CB-CH2 4.08Å; L12-W321 HydrophobicContact CB-CZ3 3.6Å; L12-W321 HydrophobicContact CD1-CD2 3.71Å; L12-W321 HydrophobicContact CD1-CE3 3.88Å; L12-W321 HydrophobicContact CD1-CG 4.27Å; L12-W321 HydrophobicContact CD1-CH2 4.23Å; L12-W321 HydrophobicContact CD1-CZ2 4.06Å; L12-W321 HydrophobicContact CD1-CZ3 4.14Å; L12-W321 HydrophobicContact CG-CZ3 4.46Å; V35-W321 WeakPolarHBondContact CA-O 3.4Å; E36-W321 HydrophobicContact CB-CB 4.39Å; E36-W321 PolarHBondContact N-O 3.21Å; E36-W321 VanDerWaalsContact N-O 3.14Å; E36-W321 PolarHBondContact O-N 3.13Å; W321-C354 HydrophobicContact CH2-CB 4.24Å; W321-P358 HydrophobicContact CE3-CB 4.12Å; W321-P358 HydrophobicContact CH2-CB 3.91Å; W321-P358 HydrophobicContact CZ3-CB 3.61Å; W321-P359 HydrophobicContact CB-CG 3.81Å; W321-P359 VanDerWaalsContact CD2-CD 3.43Å; W321-P359 HydrophobicContact CD2-CG 4.05Å; W321-P359 HydrophobicContact CG-CG 3.68Å; W321-Y807 PolarHBondContact NE1-OH 3.38Å; W321-L809 HydrophobicContact CB-CD1 3.75Å
322	C	90.9	Very high	87.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.5	179	-171.4	0	0	0	0	111.2	C11 V13 T324 L327 L330	C11-C322 PolarHBondContact N-O 2.96Å; C11-C322 PolarHBondContact O-N 2.79Å; C11-C322 PolarHBondContact SG-O 3.37Å; C11-C322 VanDerWaalsContact SG-O 3.33Å; V13-C322 HydrophobicContact CG2-CB 3.65Å; C322-T324 PolarHBondContact O-N 3.03Å; C322-L327 HydrophobicContact CB-CD2 4.18Å; C322-L330 HydrophobicContact CB-CD2 4.43Å
323	P	90.9	Very high	88.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.6	171.6	-23.1	34.9	0	0	0	111.4	A325 K326 L327 L361 L809	P323-A325 PolarHBondContact O-N 3.07Å; P323-A325 VanDerWaalsContact O-N 3.16Å; P323-K326 HydrophobicContact CB-CB 4.47Å; P323-K326 HydrophobicContact CB-CG 4.45Å; P323-K326 PolarHBondContact O-N 3.44Å; P323-L327 PolarHBondContact O-N 3.38Å; P323-L361 HydrophobicContact CB-CD2 4.27Å; P323-L361 HydrophobicContact CG-CD2 3.45Å; P323-L361 VanDerWaalsContact CG-CD2 3.45Å; P323-L809 HydrophobicContact CG-CD2 4.49Å
324	T	88	Confident	89.5	Confident	43 Å²	43	37.8 Å²	37.8	26%	0.264	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.4	-33.1	-176.4	-51.2	0	0	0	0	111.9	E9 C322 K326 L327	E9-T324 WeakPolarHBondContact O-CB 3.33Å; E9-T324 PolarHBondContact O-N 3.4Å; E9-T324 PolarHBondContact O-OG1 3.11Å; C322-T324 PolarHBondContact O-N 3.03Å; T324-K326 VanDerWaalsContact C-N 3.28Å; T324-K326 PolarHBondContact O-N 2.84Å; T324-L327 HydrophobicContact CG2-CD1 4.15Å
325	A	87.1	Confident	90	Very high	82 Å²	82	37 Å²	37	68%	0.678	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-66	-26.1	177	0	0	0	0	0	113.7	P323	P323-A325 PolarHBondContact O-N 3.07Å; P323-A325 VanDerWaalsContact O-N 3.16Å
326	K	88.4	Confident	90.1	Very high	71 Å²	71	37.5 Å²	37.5	31%	0.309	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-106.8	9.1	-173.3	-60.8	-171.5	179.2	-175.9	0	114.5	L34 P323 T324 E329 L330	L34-K326 HydrophobicContact CD1-CB 4.07Å; L34-K326 HydrophobicContact CD1-CD 3.86Å; L34-K326 HydrophobicContact CD2-CD 3.47Å; L34-K326 VanDerWaalsContact CD2-CD 3.47Å; L34-K326 VanDerWaalsContact CD2-NZ 3.35Å; L34-K326 HydrophobicContact CG-CD 4.25Å; P323-K326 HydrophobicContact CB-CB 4.47Å; P323-K326 HydrophobicContact CB-CG 4.45Å; P323-K326 PolarHBondContact O-N 3.44Å; T324-K326 VanDerWaalsContact C-N 3.28Å; T324-K326 PolarHBondContact O-N 2.84Å; K326-E329 WeakPolarHBondContact O-CB 3.46Å; K326-E329 PolarHBondContact O-N 3.15Å; K326-E329 VanDerWaalsContact O-N 3.15Å; K326-L330 PolarHBondContact O-N 3.44Å; K326-L330 VanDerWaalsContact O-N 3.12Å
327	L	89.9	Confident	89.9	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-36.5	172.1	-68.3	172.9	0	0	0	115.7	V13 C322 P323 T324 E329 L330 Q331 Y349 R351	V13-L327 HydrophobicContact CG1-CD2 3.86Å; C322-L327 HydrophobicContact CB-CD2 4.18Å; P323-L327 PolarHBondContact O-N 3.38Å; T324-L327 HydrophobicContact CG2-CD1 4.15Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 3.48Å; L327-L330 HydrophobicContact CD2-CD2 4.05Å; L327-L330 WeakPolarHBondContact O-CB 3.36Å; L327-L330 PolarHBondContact O-N 2.97Å; L327-Q331 PolarHBondContact O-N 3.44Å; L327-Y349 HydrophobicContact CD2-CE2 4.38Å; L327-R351 VanDerWaalsContact CD1-NE 3.33Å
328	P	91.3	Very high	89.7	Confident	84 Å²	84	35.5 Å²	35.5	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-34.7	175.5	24.4	-33.7	0	0	0	112.5	Q331 S332	P328-Q331 PolarHBondContact O-N 3.46Å; P328-S332 PolarHBondContact O-N 2.85Å
329	E	90.5	Very high	89.4	Confident	90 Å²	90	43.6 Å²	43.6	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-43.2	175.4	-62.9	177	-175.1	0	0	110.4	L34 K326 L327 Q331 S332 A333	L34-E329 HydrophobicContact CD1-CB 4.33Å; L34-E329 WeakPolarHBondContact CD1-OE2 3.28Å; K326-E329 WeakPolarHBondContact O-CB 3.46Å; K326-E329 PolarHBondContact O-N 3.15Å; K326-E329 VanDerWaalsContact O-N 3.15Å; L327-E329 VanDerWaalsContact C-N 3.31Å; L327-E329 PolarHBondContact O-N 3.48Å; E329-Q331 VanDerWaalsContact C-N 3.32Å; E329-Q331 PolarHBondContact O-N 3.39Å; E329-S332 PolarHBondContact O-N 3.17Å; E329-S332 VanDerWaalsContact O-N 3.16Å; E329-S332 PolarHBondContact O-OG 2.9Å; E329-A333 PolarHBondContact O-N 3.47Å; E329-A333 VanDerWaalsContact O-N 3.08Å
330	L	90.4	Very high	89	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-55	-47.4	173.4	-179.7	70.6	0	0	0	111.8	V13 L15 L29 V35 C322 K326 L327 S332 A333 L334	V13-L330 HydrophobicContact CG2-CD2 4.07Å; L15-L330 HydrophobicContact CD2-CD2 4.29Å; L29-L330 HydrophobicContact CD2-CD1 3.26Å; V35-L330 HydrophobicContact CG2-CD1 3.59Å; C322-L330 HydrophobicContact CB-CD2 4.43Å; K326-L330 PolarHBondContact O-N 3.44Å; K326-L330 VanDerWaalsContact O-N 3.12Å; L327-L330 HydrophobicContact CD2-CD2 4.05Å; L327-L330 WeakPolarHBondContact O-CB 3.36Å; L327-L330 PolarHBondContact O-N 2.97Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.44Å; L330-A333 PolarHBondContact O-N 3.13Å; L330-L334 HydrophobicContact CG-CD1 4.45Å; L330-L334 WeakPolarHBondContact O-CG 3.37Å; L330-L334 PolarHBondContact O-N 3.31Å; L330-L334 VanDerWaalsContact O-N 3.11Å
331	Q	90.4	Very high	88.5	Confident	71 Å²	71	49.6 Å²	49.6	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-40.7	179	-161.7	174	10.6	0	0	112.3	L327 P328 E329 L334 R335 Y349	L327-Q331 PolarHBondContact O-N 3.44Å; P328-Q331 PolarHBondContact O-N 3.46Å; E329-Q331 VanDerWaalsContact C-N 3.32Å; E329-Q331 PolarHBondContact O-N 3.39Å; Q331-L334 PolarHBondContact O-N 3.26Å; Q331-R335 WeakPolarHBondContact O-CG 3.31Å; Q331-R335 PolarHBondContact O-N 3.06Å; Q331-R335 VanDerWaalsContact O-N 3.14Å; Q331-Y349 HydrophobicContact CB-CE1 3.78Å; Q331-Y349 HydrophobicContact CG-CD1 4.49Å; Q331-Y349 HydrophobicContact CG-CE1 3.86Å
332	S	90.1	Very high	88	Confident	68 Å²	68	52.1 Å²	52.1	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-40.5	-180	73.9	0	0	0	0	112.1	P328 E329 L330 R335 E336	P328-S332 PolarHBondContact O-N 2.85Å; E329-S332 PolarHBondContact O-N 3.17Å; E329-S332 VanDerWaalsContact O-N 3.16Å; E329-S332 PolarHBondContact O-OG 2.9Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.44Å; S332-R335 PolarHBondContact O-N 2.97Å; S332-E336 PolarHBondContact O-N 3.08Å
333	A	88.9	Confident	87.3	Confident	6 Å²	6	53.6 Å²	53.6	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-37.8	176.6	0	0	0	0	0	113.2	E28 L29 L32 E329 L330 R335 E336 G337	E28-A333 HydrophobicContact CB-CB 4.03Å; L29-A333 HydrophobicContact CD2-CB 4.43Å; L32-A333 HydrophobicContact CD1-CB 3.31Å; L32-A333 HydrophobicContact CG-CB 4.27Å; E329-A333 PolarHBondContact O-N 3.47Å; E329-A333 VanDerWaalsContact O-N 3.08Å; L330-A333 PolarHBondContact O-N 3.13Å; A333-R335 VanDerWaalsContact C-N 3.33Å; A333-R335 PolarHBondContact O-N 3.36Å; A333-E336 PolarHBondContact O-N 3.49Å; A333-G337 PolarHBondContact O-N 3.04Å
334	L	89.4	Confident	86.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-42.4	174.9	-70.1	173.3	0	0	0	111.6	L15 L17 C25 L29 L330 Q331 G337 G338 Y349	L15-L334 HydrophobicContact CD2-CD1 4.02Å; L17-L334 HydrophobicContact CD2-CD2 3.85Å; C25-L334 HydrophobicContact CB-CD2 4.16Å; L29-L334 HydrophobicContact CD1-CD2 4.17Å; L330-L334 HydrophobicContact CG-CD1 4.45Å; L330-L334 WeakPolarHBondContact O-CG 3.37Å; L330-L334 PolarHBondContact O-N 3.31Å; L330-L334 VanDerWaalsContact O-N 3.11Å; Q331-L334 PolarHBondContact O-N 3.26Å; L334-G337 PolarHBondContact O-N 3.39Å; L334-G338 PolarHBondContact O-N 3.33Å; L334-Y349 HydrophobicContact CD1-CD1 4.31Å
335	R	88.3	Confident	85.9	Confident	132 Å²	132	59.6 Å²	59.6	50%	0.498	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-43.1	175.5	-73.8	-180	178.3	165.3	1.5	112.3	Q331 S332 A333 G338 R339	Q331-R335 WeakPolarHBondContact O-CG 3.31Å; Q331-R335 PolarHBondContact O-N 3.06Å; Q331-R335 VanDerWaalsContact O-N 3.14Å; S332-R335 PolarHBondContact O-N 2.97Å; A333-R335 VanDerWaalsContact C-N 3.33Å; A333-R335 PolarHBondContact O-N 3.36Å; R335-G338 PolarHBondContact O-N 2.99Å; R335-R339 PolarHBondContact O-N 3.42Å
336	E	88.1	Confident	85.3	Confident	56 Å²	56	60.1 Å²	60.1	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-40.2	178.5	-175.7	57	-159.6	0	0	112	S332 A333 G338 R339 K340	S332-E336 PolarHBondContact O-N 3.08Å; A333-E336 PolarHBondContact O-N 3.49Å; E336-G338 VanDerWaalsContact C-N 3.34Å; E336-G338 PolarHBondContact O-N 3.38Å; E336-R339 PolarHBondContact O-N 2.96Å; E336-R339 IonicContact OE1-CZ 3.56Å; E336-R339 IonicContact OE1-NE 2.86Å; E336-R339 PolarHBondContact OE1-NE 3.39Å; E336-R339 IonicContact OE1-NH2 3.4Å; E336-R339 PolarHBondContact OE1-NH2 3.3Å; E336-R339 IonicContact OE2-CZ 2.87Å; E336-R339 IonicContact OE2-NE 2.7Å; E336-R339 PolarHBondContact OE2-NE 2.96Å; E336-R339 IonicContact OE2-NH2 3.49Å; E336-R339 PolarHBondContact OE2-NH2 3.39Å; E336-K340 WeakPolarHBondContact O-CG 3.32Å; E336-K340 PolarHBondContact O-N 3.11Å; E336-K340 VanDerWaalsContact OE1-CE 3.3Å; E336-K340 WeakPolarHBondContact OE1-CE 3.21Å
337	G	85.9	Confident	85.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-39.9	172.6	0	0	0	0	0	112.8	N24 A333 L334 S341	N24-G337 WeakPolarHBondContact CB-O 3.48Å; A333-G337 PolarHBondContact O-N 3.04Å; L334-G337 PolarHBondContact O-N 3.39Å; G337-S341 PolarHBondContact O-N 3.37Å
338	G	86.3	Confident	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-50.5	171.6	0	0	0	0	0	112	L334 R335 E336 K340 S341 G342	L334-G338 PolarHBondContact O-N 3.33Å; R335-G338 PolarHBondContact O-N 2.99Å; E336-G338 VanDerWaalsContact C-N 3.34Å; E336-G338 PolarHBondContact O-N 3.38Å; G338-K340 PolarHBondContact O-N 3.25Å; G338-S341 PolarHBondContact O-N 3.03Å; G338-S341 VanDerWaalsContact O-N 3.11Å; G338-S341 PolarHBondContact O-OG 3.17Å; G338-G342 PolarHBondContact O-N 3.48Å
339	R	85.9	Confident	84.8	Confident	172 Å²	172	61.4 Å²	61.4	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-58.4	-43.6	178.8	-166.7	-177.9	73.6	88.4	1.8	112.6	R335 E336 S341 G342	R335-R339 PolarHBondContact O-N 3.42Å; E336-R339 PolarHBondContact O-N 2.96Å; E336-R339 IonicContact OE1-CZ 3.56Å; E336-R339 IonicContact OE1-NE 2.86Å; E336-R339 PolarHBondContact OE1-NE 3.39Å; E336-R339 IonicContact OE1-NH2 3.4Å; E336-R339 PolarHBondContact OE1-NH2 3.3Å; E336-R339 IonicContact OE2-CZ 2.87Å; E336-R339 IonicContact OE2-NE 2.7Å; E336-R339 PolarHBondContact OE2-NE 2.96Å; E336-R339 IonicContact OE2-NH2 3.49Å; E336-R339 PolarHBondContact OE2-NH2 3.39Å; R339-S341 VanDerWaalsContact C-N 3.29Å; R339-S341 PolarHBondContact O-N 2.9Å; R339-G342 PolarHBondContact O-N 2.9Å; R339-G342 VanDerWaalsContact O-N 3.17Å
340	K	84.4	Confident	84.8	Confident	107 Å²	107	61.2 Å²	61.2	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-64.2	-32	177.4	-74.1	-179.5	-178.9	178.7	0	113.1	E28 E336 G338 G342	E28-K340 IonicContact OE1-NZ 2.95Å; E28-K340 PolarHBondContact OE1-NZ 3.35Å; E28-K340 IonicContact OE2-NZ 2.64Å; E336-K340 WeakPolarHBondContact O-CG 3.32Å; E336-K340 PolarHBondContact O-N 3.11Å; E336-K340 VanDerWaalsContact OE1-CE 3.3Å; E336-K340 WeakPolarHBondContact OE1-CE 3.21Å; G338-K340 PolarHBondContact O-N 3.25Å; K340-G342 VanDerWaalsContact C-N 3.29Å
341	S	81.6	Confident	84.7	Confident	37 Å²	37	67.4 Å²	67.4	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-76.5	-13.8	176.3	72.4	0	0	0	0	114	S21 N24 G337 G338 R339 S343	S21-S341 VanDerWaalsContact CB-OG 3.27Å; S21-S341 WeakPolarHBondContact CB-OG 3.2Å; N24-S341 WeakPolarHBondContact ND2-CA 3.2Å; N24-S341 WeakPolarHBondContact ND2-CB 3.41Å; G337-S341 PolarHBondContact O-N 3.37Å; G338-S341 PolarHBondContact O-N 3.03Å; G338-S341 VanDerWaalsContact O-N 3.11Å; G338-S341 PolarHBondContact O-OG 3.17Å; R339-S341 VanDerWaalsContact C-N 3.29Å; R339-S341 PolarHBondContact O-N 2.9Å; S341-S343 PolarHBondContact O-N 2.93Å; S341-S343 WeakPolarHBondContact OG-CB 3.31Å; S341-S343 PolarHBondContact OG-N 3.46Å
342	G	80.2	Confident	84.5	Confident	68 Å²	68	66.3 Å²	66.3	70%	0.701	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	14.6	-172.4	0	0	0	0	0	113.7	G338 R339 K340	G338-G342 PolarHBondContact O-N 3.48Å; R339-G342 PolarHBondContact O-N 2.9Å; R339-G342 VanDerWaalsContact O-N 3.17Å; K340-G342 VanDerWaalsContact C-N 3.29Å
343	S	77.2	Confident	83.9	Confident	31 Å²	31	69.4 Å²	69.4	22%	0.217	38%	0.375	C	S	.	.			trans	-72.6	137.2	174.6	-172.7	0	0	0	0	110.9	Q18 S341 V345	Q18-S343 PolarHBondContact OE1-OG 2.85Å; S341-S343 PolarHBondContact O-N 2.93Å; S341-S343 WeakPolarHBondContact OG-CB 3.31Å; S341-S343 PolarHBondContact OG-N 3.46Å; S343-V345 VanDerWaalsContact C-N 3.28Å; S343-V345 PolarHBondContact OG-N 2.77Å
344	G	71.1	Confident	83.1	Confident	83 Å²	83	71.7 Å²	71.7	86%	0.856	39%	0.39	S	S	*	.	S	Bend	trans	-81.1	-2.4	173.8	0	0	0	0	0	114.4
345	V	77.6	Confident	82.1	Confident	88 Å²	88	77.9 Å²	77.9	53%	0.533	43%	0.433	S	S	.	.	S	Bend	trans	-112.6	122.1	178.7	-177.5	0	0	0	0	109.5	S343	S343-V345 VanDerWaalsContact C-N 3.28Å; S343-V345 PolarHBondContact OG-N 2.77Å
346	D	76	Confident	81.5	Confident	94 Å²	94	74.7 Å²	74.7	50%	0.503	43%	0.429	S	S	.	.			trans	-75	132.1	177.8	-73	-22.5	0	0	0	111.2
347	S	83.2	Confident	81.1	Confident	9 Å²	9	76.5 Å²	76.5	6%	0.063	45%	0.445	C	S	.	.			trans	-67.9	135.1	166.1	-58.7	0	0	0	0	109.5	F16 S21	F16-S347 WeakPolarHBondContact O-CA 3.5Å; F16-S347 WeakPolarHBondContact O-CB 3.25Å; S21-S347 PolarHBondContact OG-OG 2.78Å
348	F	86.5	Confident	81.2	Confident	124 Å²	124	77.7 Å²	77.7	54%	0.544	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.8	-179.4	65.7	-88.3	0	0	0	111.6	F16	F16-F348 HydrophobicContact CB-CD1 4.4Å; F16-F348 HydrophobicContact CB-CE1 4.05Å; F16-F348 HydrophobicContact CB-CE2 4.27Å; F16-F348 HydrophobicContact CB-CZ 3.97Å; F16-F348 AromaticContact CD2-CD2 3.91Å; F16-F348 HydrophobicContact CD2-CD2 3.91Å; F16-F348 AromaticContact CD2-CE2 3.34Å; F16-F348 HydrophobicContact CD2-CE2 3.34Å; F16-F348 AromaticContact CD2-CZ 3.72Å; F16-F348 HydrophobicContact CD2-CZ 3.72Å; F16-F348 AromaticContact CE2-CE2 3.88Å; F16-F348 HydrophobicContact CE2-CE2 3.88Å; F16-F348 HydrophobicContact CE2-CZ 4.39Å; F16-F348 HydrophobicContact CG-CE1 4.43Å; F16-F348 AromaticContact CG-CE2 3.96Å; F16-F348 HydrophobicContact CG-CE2 3.96Å; F16-F348 AromaticContact CG-CZ 3.85Å; F16-F348 HydrophobicContact CG-CZ 3.85Å; F16-F348 PolarHBondContact N-O 3.27Å
349	Y	89.3	Confident	81.4	Confident	51 Å²	51	77.7 Å²	77.7	20%	0.2	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.9	176.4	70.4	-90.1	0	0	0	110.7	V13 Q14 L327 Q331 L334	V13-Y349 HydrophobicContact CG1-CD2 3.67Å; V13-Y349 HydrophobicContact CG1-CE2 4.36Å; V13-Y349 HydrophobicContact CG1-CG 4.42Å; Q14-Y349 CarbonylContact O-C 3.01Å; Q14-Y349 VanDerWaalsContact O-CA 3.25Å; Q14-Y349 WeakPolarHBondContact O-CA 3.46Å; L327-Y349 HydrophobicContact CD2-CE2 4.38Å; Q331-Y349 HydrophobicContact CB-CE1 3.78Å; Q331-Y349 HydrophobicContact CG-CD1 4.49Å; Q331-Y349 HydrophobicContact CG-CE1 3.86Å; L334-Y349 HydrophobicContact CD1-CD1 4.31Å
350	N	90.1	Very high	81.6	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.4	170.9	-172.8	23.3	0	0	0	109.6	V13 Q14 F16	V13-N350 CarbonylContact C-O 3.5Å; V13-N350 VanDerWaalsContact CA-O 3.31Å; V13-N350 WeakPolarHBondContact CA-O 3.18Å; Q14-N350 PolarHBondContact N-O 3.28Å; Q14-N350 PolarHBondContact O-N 3.39Å; F16-N350 HydrophobicContact CE2-CB 4.27Å
351	R	88.4	Confident	81.7	Confident	132 Å²	132	66.2 Å²	66.2	50%	0.498	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.1	175.4	-64.8	-174.4	-172.4	-176.8	4	109.3	V13 L327	V13-R351 HydrophobicContact CG1-CG 4.17Å; L327-R351 VanDerWaalsContact CD1-NE 3.33Å
352	L	86.3	Confident	81.9	Confident	49 Å²	49	65.2 Å²	65.2	26%	0.257	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.6	175.9	-81.6	77.3	0	0	0	110.7	L12 Q14 C354	L12-L352 HydrophobicContact CD2-CB 4.32Å; L12-L352 PolarHBondContact O-N 2.85Å; Q14-L352 HydrophobicContact CB-CD1 3.24Å; Q14-L352 HydrophobicContact CG-CD1 4.33Å; L352-C354 PolarHBondContact O-N 3.38Å
353	P	77.6	Confident	82	Confident	132 Å²	132	63.8 Å²	63.8	86%	0.857	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-71.8	123.9	163.5	29.9	-30.1	0	0	0	108.6
354	C	71.8	Confident	82.3	Confident	55 Å²	55	65.6 Å²	65.6	37%	0.372	39%	0.386	S	S	.	.			trans	-110	138.7	-177.3	-74	0	0	0	0	112.5	L12 W321 L352	L12-C354 WeakPolarHBondContact CB-SG 3.27Å; L12-C354 WeakPolarHBondContact CD2-SG 3.48Å; W321-C354 HydrophobicContact CH2-CB 4.24Å; L352-C354 PolarHBondContact O-N 3.38Å
355	S	68.1	Low	82.9	Confident	131 Å²	131	66.6 Å²	66.6	92%	0.916	37%	0.372	S	S	*	.	S	Bend	trans	-86.3	-21.4	167	-165.5	0	0	0	0	112.6
356	T	76.9	Confident	83.1	Confident	65 Å²	65	66 Å²	66	40%	0.399	37%	0.371	S	S	.	.	S	Bend	trans	-79.7	142	179.2	54.5	0	0	0	0	111.5
357	P	79.6	Confident	83.6	Confident	93 Å²	93	65 Å²	65	60%	0.604	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-61.8	130.4	178.3	25.6	-33	0	0	0	110.5	Y807	P357-Y807 WeakPolarHBondContact O-CE1 3.37Å; P357-Y807 PolarHBondContact O-OH 2.71Å
358	P	87.8	Confident	83.8	Confident	25 Å²	25	65.1 Å²	65.1	16%	0.162	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-73.8	160.7	176.3	26.7	-31.9	0	0	0	112.4	V10 W321 Y383	V10-P358 HydrophobicContact CB-CB 4.33Å; W321-P358 HydrophobicContact CE3-CB 4.12Å; W321-P358 HydrophobicContact CH2-CB 3.91Å; W321-P358 HydrophobicContact CZ3-CB 3.61Å; P358-Y383 HydrophobicContact CB-CD2 4.11Å; P358-Y383 HydrophobicContact CB-CE2 3.99Å; P358-Y383 HydrophobicContact CG-CD1 3.59Å; P358-Y383 HydrophobicContact CG-CD2 3.54Å; P358-Y383 HydrophobicContact CG-CE1 3.59Å; P358-Y383 HydrophobicContact CG-CE2 3.51Å; P358-Y383 HydrophobicContact CG-CG 3.53Å
359	P	89.9	Confident	83.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-70.9	157.6	177.5	23.3	-25.5	0	0	0	111.2	V10 W321 Y807 L809	V10-P359 HydrophobicContact CG1-CG 4.01Å; W321-P359 HydrophobicContact CB-CG 3.81Å; W321-P359 VanDerWaalsContact CD2-CD 3.43Å; W321-P359 HydrophobicContact CD2-CG 4.05Å; W321-P359 HydrophobicContact CG-CG 3.68Å; P359-Y807 VanDerWaalsContact CA-CZ 3.44Å; P359-Y807 WeakPolarHBondContact CA-O 3.3Å; P359-Y807 HydrophobicContact CB-CD2 3.71Å; P359-Y807 HydrophobicContact CB-CE1 4.39Å; P359-Y807 HydrophobicContact CB-CE2 3.28Å; P359-Y807 HydrophobicContact CB-CG 4.45Å; P359-Y807 WeakPolarHBondContact CD-OH 3.25Å; P359-Y807 HydrophobicContact CG-CE2 3.89Å; P359-Y807 VanDerWaalsContact N-OH 3.11Å; P359-L809 HydrophobicContact CB-CB 3.86Å; P359-L809 HydrophobicContact CB-CD1 3.9Å; P359-L809 HydrophobicContact CB-CG 4.5Å; P359-L809 HydrophobicContact CG-CB 4.22Å; P359-L809 HydrophobicContact CG-CD1 3.33Å; P359-L809 HydrophobicContact CG-CG 4.35Å
360	T	89.2	Confident	83.6	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-94.9	129.9	174.4	61.3	0	0	0	0	111.8	V380 A381 Y807 L809	T360-V380 WeakPolarHBondContact OG1-CG1 3.28Å; T360-A381 WeakPolarHBondContact CG2-O 3.41Å; T360-Y807 PolarHBondContact N-O 3.27Å; T360-Y807 PolarHBondContact OG1-O 3.18Å; T360-L809 PolarHBondContact O-N 3.06Å
361	L	87.8	Confident	83.6	Confident	35 Å²	35	54.9 Å²	54.9	18%	0.183	33%	0.325	C	S	.	.			trans	-123.5	131.6	172.8	177.2	64.6	0	0	0	109.8	S7 E8 V10 P323 L809	S7-L361 WeakPolarHBondContact CA-O 3.41Å; E8-L361 PolarHBondContact N-O 3.3Å; E8-L361 WeakPolarHBondContact OE2-CD2 3.27Å; V10-L361 HydrophobicContact CG2-CB 4.4Å; P323-L361 HydrophobicContact CB-CD2 4.27Å; P323-L361 HydrophobicContact CG-CD2 3.45Å; P323-L361 VanDerWaalsContact CG-CD2 3.45Å; L361-L809 HydrophobicContact CB-CB 4.16Å; L361-L809 HydrophobicContact CB-CD2 4.02Å; L361-L809 HydrophobicContact CD1-CD2 4.09Å; L361-L809 HydrophobicContact CD2-CD2 3.83Å; L361-L809 HydrophobicContact CG-CD2 4.19Å
362	F	86.1	Confident	83.7	Confident	17 Å²	17	48.7 Å²	48.7	8%	0.075	30%	0.301	C	S	.	.			trans	-116.6	131.2	166.6	-62.3	-69.6	0	0	0	108.9	S7 L364 A381 N387	S7-F362 VanDerWaalsContact N-CE1 3.32Å; F362-L364 HydrophobicContact CB-CD2 4.31Å; F362-L364 PolarHBondContact O-N 2.99Å; F362-A381 HydrophobicContact CE2-CB 3.98Å; F362-A381 HydrophobicContact CZ-CB 3.88Å; F362-N387 HydrophobicContact CD1-CB 4.36Å; F362-N387 HydrophobicContact CE1-CB 3.65Å; F362-N387 HydrophobicContact CZ-CB 3.89Å
363	P	81.3	Confident	83.8	Confident	38 Å²	38	50.7 Å²	50.7	25%	0.247	31%	0.312	C	S	.	.			trans	-72.2	113.2	172.9	28	-30.4	0	0	0	108.9	S3 E8	S3-P363 WeakPolarHBondContact O-CD 3.41Å; S3-P363 WeakPolarHBondContact OG-CG 3.45Å; E8-P363 WeakPolarHBondContact OE1-CG 3.24Å
364	L	83.3	Confident	84.4	Confident	68 Å²	68	45.9 Å²	45.9	36%	0.356	28%	0.279	S	S	.	.			trans	-100	135.3	-176.8	-60.1	174.5	0	0	0	111.1	F362 A369 Q372	F362-L364 HydrophobicContact CB-CD2 4.31Å; F362-L364 PolarHBondContact O-N 2.99Å; L364-A369 HydrophobicContact CB-CB 4.34Å; L364-Q372 HydrophobicContact CD1-CB 4.29Å; L364-Q372 HydrophobicContact CD1-CG 4.28Å; L364-Q372 HydrophobicContact CD2-CB 3.5Å; L364-Q372 VanDerWaalsContact CD2-CB 3.5Å; L364-Q372 HydrophobicContact CD2-CG 3.72Å
365	N	84.9	Confident	85.3	Confident	105 Å²	105	43.3 Å²	43.3	56%	0.561	26%	0.261	S	S	*	.			trans	-96.3	165.2	165.7	-66.4	-20.5	0	0	0	108.9	F367 T368 A369	N365-F367 PolarHBondContact O-N 3.19Å; N365-F367 VanDerWaalsContact O-N 3.08Å; N365-T368 PolarHBondContact N-OG1 2.95Å; N365-T368 PolarHBondContact O-N 2.86Å; N365-T368 VanDerWaalsContact O-N 3.12Å; N365-T368 PolarHBondContact O-OG1 3.18Å; N365-A369 WeakPolarHBondContact O-CB 3.46Å; N365-A369 PolarHBondContact O-N 2.57Å
366	S	80.1	Confident	86.4	Confident	75 Å²	75	38.2 Å²	38.2	52%	0.524	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.9	174.1	53.2	0	0	0	0	113.1
367	F	87.1	Confident	87	Confident	74 Å²	74	38.5 Å²	38.5	33%	0.325	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-48.5	175.6	-179.8	-98.3	0	0	0	113.4	N365 F371 I393 Y445 L449	N365-F367 PolarHBondContact O-N 3.19Å; N365-F367 VanDerWaalsContact O-N 3.08Å; F367-F371 HydrophobicContact CE1-CE2 4.31Å; F367-F371 HydrophobicContact CE2-CE2 4.42Å; F367-F371 HydrophobicContact CZ-CE2 4.09Å; F367-I393 HydrophobicContact CE1-CD1 4.44Å; F367-I393 HydrophobicContact CE1-CG2 3.78Å; F367-I393 HydrophobicContact CZ-CG2 4Å; F367-Y445 AromaticContact CD2-CD1 3.76Å; F367-Y445 HydrophobicContact CD2-CD1 3.76Å; F367-Y445 HydrophobicContact CD2-CD2 4.38Å; F367-Y445 AromaticContact CD2-CG 3.67Å; F367-Y445 HydrophobicContact CD2-CG 3.67Å; F367-Y445 HydrophobicContact CE2-CD1 4.35Å; F367-Y445 HydrophobicContact CE2-CG 4.33Å; F367-L449 HydrophobicContact CE2-CD1 4.14Å; F367-L449 HydrophobicContact CZ-CD1 3.74Å
368	T	87.4	Confident	87.5	Confident	11 Å²	11	39.1 Å²	39.1	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-80.5	-19.7	-173.8	54	0	0	0	0	113.4	L4 N365 G370 F371 Q372 I393	L4-T368 HydrophobicContact CD1-CG2 4.34Å; L4-T368 HydrophobicContact CD2-CG2 4.3Å; N365-T368 PolarHBondContact N-OG1 2.95Å; N365-T368 PolarHBondContact O-N 2.86Å; N365-T368 VanDerWaalsContact O-N 3.12Å; N365-T368 PolarHBondContact O-OG1 3.18Å; T368-G370 VanDerWaalsContact C-N 3.34Å; T368-G370 PolarHBondContact O-N 3.07Å; T368-F371 PolarHBondContact O-N 3.41Å; T368-Q372 PolarHBondContact O-N 3.37Å; T368-I393 HydrophobicContact CG2-CD1 4.03Å
369	A	85.8	Confident	87.6	Confident	27 Å²	27	38.8 Å²	38.8	22%	0.223	23%	0.225	C	C	.	.	H	α-helix	trans	-57.3	-42.5	-179.1	0	0	0	0	0	113.2	L364 N365 Q372 N373	L364-A369 HydrophobicContact CB-CB 4.34Å; N365-A369 WeakPolarHBondContact O-CB 3.46Å; N365-A369 PolarHBondContact O-N 2.57Å; A369-Q372 PolarHBondContact O-N 2.97Å; A369-N373 WeakPolarHBondContact O-CB 3.34Å; A369-N373 PolarHBondContact O-N 2.9Å; A369-N373 PolarHBondContact O-ND2 3.43Å
370	G	86.3	Confident	87.5	Confident	16 Å²	16	40 Å²	40	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-44	178.9	0	0	0	0	0	112.7	T368 I374	T368-G370 VanDerWaalsContact C-N 3.34Å; T368-G370 PolarHBondContact O-N 3.07Å; G370-I374 PolarHBondContact O-N 2.93Å
371	F	89.8	Confident	87.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-38.7	177.7	-65.8	-81.5	0	0	0	112.4	F367 T368 I374 V375 I393 P397 L446 L449	F367-F371 HydrophobicContact CE1-CE2 4.31Å; F367-F371 HydrophobicContact CE2-CE2 4.42Å; F367-F371 HydrophobicContact CZ-CE2 4.09Å; T368-F371 PolarHBondContact O-N 3.41Å; F371-I374 PolarHBondContact O-N 3.06Å; F371-V375 PolarHBondContact O-N 2.63Å; F371-I393 HydrophobicContact CB-CG1 4.07Å; F371-I393 HydrophobicContact CD1-CG1 4.25Å; F371-I393 HydrophobicContact CD2-CG1 3.86Å; F371-I393 HydrophobicContact CE2-CG1 4.35Å; F371-I393 HydrophobicContact CG-CG1 3.8Å; F371-P397 HydrophobicContact CE1-CG 4.24Å; F371-L446 HydrophobicContact CD1-CD1 4.03Å; F371-L446 HydrophobicContact CE1-CB 4.03Å; F371-L446 HydrophobicContact CE1-CD1 3.78Å; F371-L446 HydrophobicContact CE1-CG 4.01Å; F371-L446 HydrophobicContact CE2-CB 4.36Å; F371-L446 HydrophobicContact CZ-CB 3.8Å; F371-L446 HydrophobicContact CZ-CD1 4.41Å; F371-L446 HydrophobicContact CZ-CG 4.26Å; F371-L449 HydrophobicContact CE2-CD1 4.32Å; F371-L449 HydrophobicContact CZ-CD1 3.8Å
372	Q	90.7	Very high	87.5	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-45	176.4	-172	69	38.2	0	0	111.2	L364 T368 A369 I374 V375 D376 N387	L364-Q372 HydrophobicContact CD1-CB 4.29Å; L364-Q372 HydrophobicContact CD1-CG 4.28Å; L364-Q372 HydrophobicContact CD2-CB 3.5Å; L364-Q372 VanDerWaalsContact CD2-CB 3.5Å; L364-Q372 HydrophobicContact CD2-CG 3.72Å; T368-Q372 PolarHBondContact O-N 3.37Å; A369-Q372 PolarHBondContact O-N 2.97Å; Q372-I374 PolarHBondContact O-N 3.14Å; Q372-V375 PolarHBondContact O-N 2.86Å; Q372-D376 PolarHBondContact NE2-OD1 3.32Å; Q372-D376 WeakPolarHBondContact O-CB 3.36Å; Q372-D376 PolarHBondContact O-N 3.41Å; Q372-N387 PolarHBondContact OE1-ND2 3.21Å; Q372-N387 PolarHBondContact OE1-OD1 3.49Å
373	N	88.8	Confident	87.7	Confident	90 Å²	90	41.1 Å²	41.1	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-32.4	179.8	-71.4	-17.6	0	0	0	112.3	A369 A377	A369-N373 WeakPolarHBondContact O-CB 3.34Å; A369-N373 PolarHBondContact O-N 2.9Å; A369-N373 PolarHBondContact O-ND2 3.43Å; N373-A377 WeakPolarHBondContact O-CB 3.3Å; N373-A377 PolarHBondContact O-N 2.88Å
374	I	90.8	Very high	88	Confident	31 Å²	31	42.9 Å²	42.9	16%	0.159	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-38.2	174	-75.7	170.2	0	0	0	112.2	G370 F371 Q372 L446 F786 L790 W794	G370-I374 PolarHBondContact O-N 2.93Å; F371-I374 PolarHBondContact O-N 3.06Å; Q372-I374 PolarHBondContact O-N 3.14Å; I374-L446 HydrophobicContact CD1-CD1 3.24Å; I374-F786 HydrophobicContact CD1-CZ 4.3Å; I374-L790 HydrophobicContact CG2-CD1 3.46Å; I374-L790 VanDerWaalsContact CG2-CD1 3.46Å; I374-W794 WeakPolarHBondContact O-CZ2 3.25Å; I374-W794 PolarHBondContact O-NE1 3.44Å
375	V	90.7	Very high	88.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-72.9	-46.1	176.7	175.3	0	0	0	0	110.5	F371 Q372 A377 Y378 P388 A389	F371-V375 PolarHBondContact O-N 2.63Å; Q372-V375 PolarHBondContact O-N 2.86Å; V375-A377 PolarHBondContact O-N 3.46Å; V375-Y378 PolarHBondContact O-N 2.88Å; V375-Y378 VanDerWaalsContact O-N 3.09Å; V375-P388 HydrophobicContact CG1-CB 4.2Å; V375-P388 HydrophobicContact CG1-CG 4.04Å; V375-A389 HydrophobicContact CB-CB 4.46Å; V375-A389 HydrophobicContact CG2-CB 3.94Å
376	D	89.9	Confident	88.4	Confident	24 Å²	24	34.9 Å²	34.9	13%	0.128	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-27.9	177.9	-69.9	-2.7	0	0	0	112.4	Q372 Y378 G379 K808	Q372-D376 PolarHBondContact NE2-OD1 3.32Å; Q372-D376 WeakPolarHBondContact O-CB 3.36Å; Q372-D376 PolarHBondContact O-N 3.41Å; D376-Y378 VanDerWaalsContact C-N 3.28Å; D376-Y378 PolarHBondContact O-N 3.24Å; D376-G379 PolarHBondContact O-N 3.02Å; D376-K808 IonicContact OD2-NZ 3.71Å; D376-K808 PolarHBondContact OD2-NZ 3.43Å
377	A	89.6	Confident	88.9	Confident	72 Å²	72	31.3 Å²	31.3	60%	0.595	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.1	177.8	0	0	0	0	0	113.8	N373 V375 W794	N373-A377 WeakPolarHBondContact O-CB 3.3Å; N373-A377 PolarHBondContact O-N 2.88Å; V375-A377 PolarHBondContact O-N 3.46Å; A377-W794 HydrophobicContact CB-CH2 4.5Å; A377-W794 HydrophobicContact CB-CZ2 4.14Å
378	Y	90.2	Very high	89	Confident	106 Å²	106	27.8 Å²	27.8	42%	0.416	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-42.4	172.5	-179.2	-111.8	0	0	0	111.4	V375 D376 W794 Y802	V375-Y378 PolarHBondContact O-N 2.88Å; V375-Y378 VanDerWaalsContact O-N 3.09Å; D376-Y378 VanDerWaalsContact C-N 3.28Å; D376-Y378 PolarHBondContact O-N 3.24Å; Y378-W794 HydrophobicContact CD2-CB 3.7Å; Y378-W794 AromaticContact CD2-CD2 3.95Å; Y378-W794 HydrophobicContact CD2-CD2 3.95Å; Y378-W794 HydrophobicContact CD2-CE3 4.19Å; Y378-W794 AromaticContact CD2-CG 3.77Å; Y378-W794 HydrophobicContact CD2-CG 3.77Å; Y378-W794 HydrophobicContact CE2-CB 3.96Å; Y378-W794 HydrophobicContact CG-CB 4.11Å; Y378-W794 HydrophobicContact CG-CD2 4.26Å; Y378-W794 AromaticContact CG-CG 3.91Å; Y378-W794 HydrophobicContact CG-CG 3.91Å; Y378-Y802 HydrophobicContact CD1-CD1 4.26Å; Y378-Y802 HydrophobicContact CD1-CE1 4.2Å; Y378-Y802 HydrophobicContact CE1-CD1 4.46Å
379	G	89.2	Confident	89.1	Confident	17 Å²	17	27.4 Å²	27.4	18%	0.175	15%	0.154	C	C	.	.			trans	175.4	157.6	177.9	0	0	0	0	0	109.1	D376 Y802	D376-G379 PolarHBondContact O-N 3.02Å; G379-Y802 PolarHBondContact O-OH 3.32Å
380	V	89.3	Confident	89.3	Confident	27 Å²	27	28.5 Å²	28.5	16%	0.164	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-89.5	136.5	179.9	179.8	0	0	0	0	109.9	T360 Y802 G804 T805 G806 K808	T360-V380 WeakPolarHBondContact OG1-CG1 3.28Å; V380-Y802 VanDerWaalsContact C-OH 3.23Å; V380-G804 CarbonylContact O-C 3.55Å; V380-G804 VanDerWaalsContact O-CA 3.24Å; V380-G804 WeakPolarHBondContact O-CA 3.39Å; V380-T805 PolarHBondContact O-N 3.02Å; V380-G806 PolarHBondContact O-N 3.06Å; V380-K808 HydrophobicContact CG1-CB 4Å; V380-K808 HydrophobicContact CG2-CB 4.08Å
381	A	88.3	Confident	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-58.3	145.8	-176.8	0	0	0	0	0	110.6	T360 F362 Y802 G806	T360-A381 WeakPolarHBondContact CG2-O 3.41Å; F362-A381 HydrophobicContact CE2-CB 3.98Å; F362-A381 HydrophobicContact CZ-CB 3.88Å; A381-Y802 VanDerWaalsContact CA-OH 3.3Å; A381-Y802 WeakPolarHBondContact CA-OH 3.48Å; A381-Y802 HydrophobicContact CB-CE2 3.6Å; A381-Y802 PolarHBondContact N-OH 3.26Å; A381-G806 WeakPolarHBondContact O-CA 3.41Å
382	S	88.9	Confident	89.6	Confident	20 Å²	20	30.4 Å²	30.4	14%	0.14	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-71.1	157.3	171.8	-56.7	0	0	0	0	110.3	R384 E385 S803 T805	S382-R384 PolarHBondContact O-N 3.03Å; S382-E385 WeakPolarHBondContact CB-OE2 3.47Å; S382-E385 PolarHBondContact N-OE2 3.1Å; S382-E385 WeakPolarHBondContact O-CB 3.49Å; S382-E385 PolarHBondContact O-N 2.95Å; S382-E385 VanDerWaalsContact O-N 3.11Å; S382-S803 PolarHBondContact OG-OG 3.38Å; S382-S803 VanDerWaalsContact OG-OG 3.04Å; S382-T805 PolarHBondContact OG-OG1 2.72Å
383	Y	89	Confident	89.7	Confident	58 Å²	58	31.5 Å²	31.5	23%	0.227	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	128.7	-177.3	-177	-104.8	0	0	0	112	E8 E9 V10 P358 E385	E8-Y383 WeakPolarHBondContact O-CE2 3.21Å; E9-Y383 WeakPolarHBondContact CA-OH 3.26Å; V10-Y383 HydrophobicContact CB-CE2 4.23Å; V10-Y383 HydrophobicContact CG2-CE2 4.4Å; V10-Y383 PolarHBondContact N-OH 2.91Å; V10-Y383 VanDerWaalsContact N-OH 3.14Å; V10-Y383 PolarHBondContact O-OH 2.9Å; P358-Y383 HydrophobicContact CB-CD2 4.11Å; P358-Y383 HydrophobicContact CB-CE2 3.99Å; P358-Y383 HydrophobicContact CG-CD1 3.59Å; P358-Y383 HydrophobicContact CG-CD2 3.54Å; P358-Y383 HydrophobicContact CG-CE1 3.59Å; P358-Y383 HydrophobicContact CG-CE2 3.51Å; P358-Y383 HydrophobicContact CG-CG 3.53Å; Y383-E385 PolarHBondContact O-N 3.35Å
384	R	87.8	Confident	89.9	Confident	74 Å²	74	31.5 Å²	31.5	28%	0.279	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	19.5	-179.7	-87.9	-176.2	47.7	145.2	-10.6	115.3	S7 E9 S382 H559	S7-R384 WeakPolarHBondContact OG-CA 3.41Å; S7-R384 PolarHBondContact OG-N 3.23Å; E9-R384 IonicContact OE1-NH1 4Å; E9-R384 PolarHBondContact OE1-NH1 3.14Å; S382-R384 PolarHBondContact O-N 3.03Å; R384-H559 PolarHBondContact NE-CE1 3.5Å; R384-H559 PolarHBondContact NE-NE2 3.48Å; R384-H559 PolarHBondContact NH2-CD2 3.15Å; R384-H559 VanDerWaalsContact NH2-CD2 3.34Å; R384-H559 PolarHBondContact NH2-CE1 3.42Å; R384-H559 PolarHBondContact NH2-NE2 2.91Å; R384-H559 PolarHBondContact O-CE1 2.93Å; R384-H559 PolarHBondContact O-ND1 2.92Å
385	E	88.6	Confident	90.1	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-74.1	155.5	168.2	-165	173.1	-162.1	0	0	111.6	S382 Y383 N387 F801 Y802 S803	S382-E385 WeakPolarHBondContact CB-OE2 3.47Å; S382-E385 PolarHBondContact N-OE2 3.1Å; S382-E385 WeakPolarHBondContact O-CB 3.49Å; S382-E385 PolarHBondContact O-N 2.95Å; S382-E385 VanDerWaalsContact O-N 3.11Å; Y383-E385 PolarHBondContact O-N 3.35Å; E385-N387 PolarHBondContact O-N 3.23Å; E385-F801 VanDerWaalsContact OE1-O 3.08Å; E385-Y802 VanDerWaalsContact OE1-CA 3.27Å; E385-Y802 WeakPolarHBondContact OE1-CA 3.31Å; E385-S803 PolarHBondContact OE1-N 3.28Å; E385-S803 PolarHBondContact OE1-OG 3.42Å; E385-S803 PolarHBondContact OE2-OG 2.9Å
386	V	89.3	Confident	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-66.8	127.7	172.9	170.8	0	0	0	0	110.4	F5 P388 Y391 F555 N556	F5-V386 HydrophobicContact CD2-CG1 4.18Å; F5-V386 HydrophobicContact CE1-CG2 3.95Å; F5-V386 HydrophobicContact CE2-CB 4.46Å; F5-V386 HydrophobicContact CE2-CG1 3.55Å; F5-V386 HydrophobicContact CE2-CG2 4.1Å; F5-V386 HydrophobicContact CZ-CB 4.41Å; F5-V386 HydrophobicContact CZ-CG1 3.91Å; F5-V386 HydrophobicContact CZ-CG2 3.58Å; F5-V386 WeakPolarHBondContact O-CA 3.29Å; V386-P388 WeakPolarHBondContact O-CD 3.41Å; V386-Y391 HydrophobicContact CG1-CE2 4.29Å; V386-F555 HydrophobicContact CG2-CB 4.06Å; V386-N556 WeakPolarHBondContact CB-OD1 3.41Å; V386-N556 WeakPolarHBondContact CG2-OD1 3.46Å; V386-N556 PolarHBondContact N-OD1 3.42Å
387	N	89.9	Confident	90.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-78.3	118.3	179.6	-172.4	-2.8	0	0	0	111.6	L4 F5 F362 Q372 E385 A389	L4-N387 WeakPolarHBondContact O-CB 3.5Å; L4-N387 PolarHBondContact O-ND2 3.24Å; F5-N387 PolarHBondContact O-N 3.27Å; F362-N387 HydrophobicContact CD1-CB 4.36Å; F362-N387 HydrophobicContact CE1-CB 3.65Å; F362-N387 HydrophobicContact CZ-CB 3.89Å; Q372-N387 PolarHBondContact OE1-ND2 3.21Å; Q372-N387 PolarHBondContact OE1-OD1 3.49Å; E385-N387 PolarHBondContact O-N 3.23Å; N387-A389 PolarHBondContact O-N 3.31Å; N387-A389 WeakPolarHBondContact OD1-CB 3.45Å; N387-A389 PolarHBondContact OD1-N 2.96Å
388	P	88.8	Confident	90.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.4	174.7	-18.9	30.2	0	0	0	113.3	V375 V386 V390 Y391 T392 Q798 F801 Y802	V375-P388 HydrophobicContact CG1-CB 4.2Å; V375-P388 HydrophobicContact CG1-CG 4.04Å; V386-P388 WeakPolarHBondContact O-CD 3.41Å; P388-V390 PolarHBondContact O-N 2.99Å; P388-V390 VanDerWaalsContact O-N 3.13Å; P388-Y391 PolarHBondContact O-N 3.48Å; P388-T392 PolarHBondContact O-N 3.45Å; P388-T392 PolarHBondContact O-OG1 2.75Å; P388-Q798 HydrophobicContact CB-CG 4.25Å; P388-Q798 HydrophobicContact CG-CG 4.21Å; P388-F801 HydrophobicContact CB-CE2 4.3Å; P388-F801 HydrophobicContact CB-CZ 3.96Å; P388-F801 HydrophobicContact CG-CE2 3.82Å; P388-F801 HydrophobicContact CG-CZ 3.91Å; P388-Y802 HydrophobicContact CG-CD2 3.51Å; P388-Y802 HydrophobicContact CG-CE2 3.79Å; P388-Y802 HydrophobicContact CG-CG 4Å
389	A	88.9	Confident	91	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.025	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-33.2	-169.8	0	0	0	0	0	113.2	V375 N387 Y391 T392 I393	V375-A389 HydrophobicContact CB-CB 4.46Å; V375-A389 HydrophobicContact CG2-CB 3.94Å; N387-A389 PolarHBondContact O-N 3.31Å; N387-A389 WeakPolarHBondContact OD1-CB 3.45Å; N387-A389 PolarHBondContact OD1-N 2.96Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.2Å; A389-T392 PolarHBondContact O-N 2.99Å; A389-I393 WeakPolarHBondContact O-CG1 3.23Å; A389-I393 PolarHBondContact O-N 3.46Å; A389-I393 VanDerWaalsContact O-N 3.08Å
390	V	90.3	Very high	91.4	Very high	50 Å²	50	24.5 Å²	24.5	30%	0.303	12%	0.119	S	C	.	.	H	α-helix	trans	-59.3	-40	178.6	-178.3	0	0	0	0	111.4	L4 P388	L4-V390 HydrophobicContact CB-CG2 4.22Å; L4-V390 HydrophobicContact CD2-CG2 3.95Å; L4-V390 VanDerWaalsContact O-CG2 3.28Å; L4-V390 WeakPolarHBondContact O-CG2 3.43Å; P388-V390 PolarHBondContact O-N 2.99Å; P388-V390 VanDerWaalsContact O-N 3.13Å
391	Y	91.4	Very high	91.7	Very high	56 Å²	56	23.2 Å²	23.2	22%	0.22	11%	0.111	C	C	.	.	H	α-helix	trans	-79.9	-40.5	178.6	-57.1	-63.4	0	0	0	111.3	F5 V386 P388 A389 I393 I394 T395 F548 L552	F5-Y391 HydrophobicContact CE2-CE2 4.3Å; F5-Y391 VanDerWaalsContact CE2-OH 3.3Å; F5-Y391 WeakPolarHBondContact CE2-OH 3.45Å; V386-Y391 HydrophobicContact CG1-CE2 4.29Å; P388-Y391 PolarHBondContact O-N 3.48Å; A389-Y391 VanDerWaalsContact C-N 3.26Å; A389-Y391 PolarHBondContact O-N 3.2Å; Y391-I393 PolarHBondContact O-N 2.95Å; Y391-I393 VanDerWaalsContact O-N 3.12Å; Y391-I394 PolarHBondContact O-N 2.9Å; Y391-T395 PolarHBondContact O-N 2.93Å; Y391-T395 PolarHBondContact O-OG1 2.91Å; Y391-T395 VanDerWaalsContact O-OG1 3.05Å; Y391-F548 AromaticContact CD1-CE1 3.86Å; Y391-F548 HydrophobicContact CD1-CE1 3.86Å; Y391-F548 AromaticContact CD1-CZ 3.61Å; Y391-F548 HydrophobicContact CD1-CZ 3.61Å; Y391-F548 HydrophobicContact CD2-CE1 4.44Å; Y391-F548 HydrophobicContact CD2-CZ 4.5Å; Y391-F548 HydrophobicContact CE1-CE1 4.3Å; Y391-F548 AromaticContact CE1-CZ 3.61Å; Y391-F548 HydrophobicContact CE1-CZ 3.61Å; Y391-F548 HydrophobicContact CE2-CZ 4.48Å; Y391-F548 AromaticContact CG-CE1 3.93Å; Y391-F548 HydrophobicContact CG-CE1 3.93Å; Y391-F548 HydrophobicContact CG-CZ 4.07Å; Y391-L552 HydrophobicContact CD2-CD1 3.69Å; Y391-L552 HydrophobicContact CD2-CD2 4.49Å; Y391-L552 HydrophobicContact CE2-CD1 3.59Å; Y391-L552 HydrophobicContact CE2-CD2 3.61Å; Y391-L552 HydrophobicContact CE2-CG 4.27Å
392	T	91.6	Very high	92	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-54.8	-31.1	176.6	-51.7	0	0	0	0	112.3	P388 A389 I394 T395 F396 P397	P388-T392 PolarHBondContact O-N 3.45Å; P388-T392 PolarHBondContact O-OG1 2.75Å; A389-T392 PolarHBondContact O-N 2.99Å; T392-I394 PolarHBondContact O-N 2.74Å; T392-I394 VanDerWaalsContact O-N 3.1Å; T392-T395 WeakPolarHBondContact CA-OG1 3.38Å; T392-F396 HydrophobicContact CG2-CB 3.61Å; T392-F396 HydrophobicContact CG2-CG 4.27Å; T392-F396 WeakPolarHBondContact O-CB 3.08Å; T392-F396 PolarHBondContact O-N 3.41Å; T392-F396 VanDerWaalsContact O-N 3.13Å; T392-P397 WeakPolarHBondContact O-CD 3.34Å
393	I	92.4	Very high	92.2	Very high	24 Å²	24	22.4 Å²	22.4	12%	0.123	11%	0.105	C	C	.	.	H	α-helix	trans	-51.4	-36.8	176.2	-71.2	161.5	0	0	0	112.5	F367 T368 F371 A389 Y391 P397 L449	F367-I393 HydrophobicContact CE1-CD1 4.44Å; F367-I393 HydrophobicContact CE1-CG2 3.78Å; F367-I393 HydrophobicContact CZ-CG2 4Å; T368-I393 HydrophobicContact CG2-CD1 4.03Å; F371-I393 HydrophobicContact CB-CG1 4.07Å; F371-I393 HydrophobicContact CD1-CG1 4.25Å; F371-I393 HydrophobicContact CD2-CG1 3.86Å; F371-I393 HydrophobicContact CE2-CG1 4.35Å; F371-I393 HydrophobicContact CG-CG1 3.8Å; A389-I393 WeakPolarHBondContact O-CG1 3.23Å; A389-I393 PolarHBondContact O-N 3.46Å; A389-I393 VanDerWaalsContact O-N 3.08Å; Y391-I393 PolarHBondContact O-N 2.95Å; Y391-I393 VanDerWaalsContact O-N 3.12Å; I393-P397 WeakPolarHBondContact O-CD 3.18Å; I393-P397 WeakPolarHBondContact O-CG 3.36Å; I393-L449 HydrophobicContact CG2-CD1 4.33Å
394	I	93.7	Very high	92.5	Very high	90 Å²	90	19.7 Å²	19.7	46%	0.462	10%	0.095	S	C	.	.	H	α-helix	trans	-107.3	-44.5	-177.9	-60.3	-60.7	0	0	0	111.9	Y391 T392 F396 P397 F398 F453	Y391-I394 PolarHBondContact O-N 2.9Å; T392-I394 PolarHBondContact O-N 2.74Å; T392-I394 VanDerWaalsContact O-N 3.1Å; I394-F396 VanDerWaalsContact C-N 3.31Å; I394-F396 PolarHBondContact O-N 3.39Å; I394-P397 WeakPolarHBondContact O-CD 3.42Å; I394-F398 VanDerWaalsContact O-CB 3.3Å; I394-F398 WeakPolarHBondContact O-CB 3.45Å; I394-F398 PolarHBondContact O-N 3.42Å; I394-F398 VanDerWaalsContact O-N 3.17Å; I394-F453 HydrophobicContact CD1-CE2 4.49Å; I394-F453 HydrophobicContact CD1-CZ 4.37Å; I394-F453 HydrophobicContact CG2-CZ 4.13Å
395	T	94.1	Very high	92.6	Very high	29 Å²	29	16.3 Å²	16.3	18%	0.178	8%	0.083	C	C	.	.	H	α-helix	trans	-66.8	-34.7	-175.1	58	0	0	0	0	111.9	Y391 T392 F398 L399 H793	Y391-T395 PolarHBondContact O-N 2.93Å; Y391-T395 PolarHBondContact O-OG1 2.91Å; Y391-T395 VanDerWaalsContact O-OG1 3.05Å; T392-T395 WeakPolarHBondContact CA-OG1 3.38Å; T395-F398 PolarHBondContact O-N 2.97Å; T395-L399 WeakPolarHBondContact O-CG 3.37Å; T395-L399 PolarHBondContact O-N 2.94Å; T395-H793 PolarHBondContact OG1-NE2 3.05Å
396	F	94.7	Very high	92.9	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-67.5	-55.1	-179.2	176.4	-84.5	0	0	0	112.9	T392 I394 F398 L399 F400 L446 M450 F786 A789 L790 H793	T392-F396 HydrophobicContact CG2-CB 3.61Å; T392-F396 HydrophobicContact CG2-CG 4.27Å; T392-F396 WeakPolarHBondContact O-CB 3.08Å; T392-F396 PolarHBondContact O-N 3.41Å; T392-F396 VanDerWaalsContact O-N 3.13Å; I394-F396 VanDerWaalsContact C-N 3.31Å; I394-F396 PolarHBondContact O-N 3.39Å; F396-F398 PolarHBondContact O-N 3.04Å; F396-L399 PolarHBondContact O-N 2.85Å; F396-F400 PolarHBondContact O-N 2.88Å; F396-L446 HydrophobicContact CD1-CD1 4.12Å; F396-L446 HydrophobicContact CD1-CG 4.47Å; F396-L446 HydrophobicContact CE1-CD1 3.89Å; F396-L446 HydrophobicContact CE1-CD2 4.25Å; F396-L446 HydrophobicContact CE1-CG 4.21Å; F396-M450 HydrophobicContact CE1-SD 4.09Å; F396-F786 AromaticContact CE1-CD2 3.71Å; F396-F786 HydrophobicContact CE1-CD2 3.71Å; F396-F786 AromaticContact CE1-CE2 3.59Å; F396-F786 HydrophobicContact CE1-CE2 3.59Å; F396-F786 HydrophobicContact CE2-CE2 4.45Å; F396-F786 AromaticContact CZ-CD2 3.38Å; F396-F786 HydrophobicContact CZ-CD2 3.38Å; F396-F786 AromaticContact CZ-CE2 3.29Å; F396-F786 HydrophobicContact CZ-CE2 3.29Å; F396-F786 HydrophobicContact CZ-CG 4.18Å; F396-F786 HydrophobicContact CZ-CZ 4.04Å; F396-A789 HydrophobicContact CD2-CB 4.37Å; F396-A789 HydrophobicContact CE2-CB 4.04Å; F396-A789 HydrophobicContact CZ-CB 4.44Å; F396-L790 HydrophobicContact CE2-CB 3.87Å; F396-L790 HydrophobicContact CE2-CD1 4.1Å; F396-H793 WeakPolarHBondContact CA-CE1 3.47Å; F396-H793 AromaticContact CD2-ND1 3.81Å; F396-H793 PolarHBondContact N-NE2 3.13Å
397	P	95.4	Very high	93.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.4	-32.9	173.7	-28.8	39.3	0	0	0	113.6	F371 T392 I393 I394 A401 L449 M450 F453	F371-P397 HydrophobicContact CE1-CG 4.24Å; T392-P397 WeakPolarHBondContact O-CD 3.34Å; I393-P397 WeakPolarHBondContact O-CD 3.18Å; I393-P397 WeakPolarHBondContact O-CG 3.36Å; I394-P397 WeakPolarHBondContact O-CD 3.42Å; P397-A401 VanDerWaalsContact O-CB 3.28Å; P397-A401 WeakPolarHBondContact O-CB 3.4Å; P397-A401 PolarHBondContact O-N 3.11Å; P397-L449 HydrophobicContact CB-CB 3.98Å; P397-L449 HydrophobicContact CG-CB 3.81Å; P397-L449 HydrophobicContact CG-CD1 4.47Å; P397-M450 HydrophobicContact CB-CG 4.1Å; P397-M450 HydrophobicContact CG-CG 4.44Å; P397-F453 HydrophobicContact CB-CD2 3.48Å; P397-F453 VanDerWaalsContact CB-CD2 3.48Å; P397-F453 HydrophobicContact CB-CE2 4Å; P397-F453 HydrophobicContact CB-CG 4.43Å
398	F	95.4	Very high	93.2	Very high	71 Å²	71	17.6 Å²	17.6	31%	0.311	9%	0.091	S	C	.	.	H	α-helix	trans	-67.7	-48.7	177.5	178.2	-101.8	0	0	0	112.9	I394 T395 F396 F400 A401 V402 F453 V541	I394-F398 VanDerWaalsContact O-CB 3.3Å; I394-F398 WeakPolarHBondContact O-CB 3.45Å; I394-F398 PolarHBondContact O-N 3.42Å; I394-F398 VanDerWaalsContact O-N 3.17Å; T395-F398 PolarHBondContact O-N 2.97Å; F396-F398 PolarHBondContact O-N 3.04Å; F398-F400 VanDerWaalsContact C-N 3.29Å; F398-F400 PolarHBondContact O-N 3.2Å; F398-A401 WeakPolarHBondContact O-CB 3.48Å; F398-A401 PolarHBondContact O-N 3.27Å; F398-A401 VanDerWaalsContact O-N 3.14Å; F398-V402 HydrophobicContact CE1-CG2 4.24Å; F398-V402 HydrophobicContact CZ-CG2 4.22Å; F398-V402 WeakPolarHBondContact O-CG2 3.48Å; F398-V402 PolarHBondContact O-N 3.16Å; F398-F453 HydrophobicContact CD2-CD1 4.49Å; F398-V541 HydrophobicContact CE1-CG1 4.39Å
399	L	95.2	Very high	93.5	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.8	-68.2	-172.3	0	0	0	111.8	T395 F396 V402 M403 V541 L728 A789 L792	T395-L399 WeakPolarHBondContact O-CG 3.37Å; T395-L399 PolarHBondContact O-N 2.94Å; F396-L399 PolarHBondContact O-N 2.85Å; L399-V402 PolarHBondContact O-N 3.33Å; L399-M403 PolarHBondContact O-N 2.9Å; L399-V541 HydrophobicContact CD2-CG1 3.49Å; L399-V541 VanDerWaalsContact CD2-CG1 3.49Å; L399-L728 HydrophobicContact CB-CD2 4.26Å; L399-L728 HydrophobicContact CD2-CD1 4.25Å; L399-L728 HydrophobicContact CD2-CD2 4.24Å; L399-A789 HydrophobicContact CB-CB 4.48Å; L399-L792 HydrophobicContact CD1-CB 4.3Å; L399-L792 HydrophobicContact CD1-CD1 4.33Å
400	F	95.9	Very high	93.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-48.7	170.8	171.2	-96.4	0	0	0	111.3	F396 F398 V402 M403 F404 M413 M450 G782 A785 F786 A789	F396-F400 PolarHBondContact O-N 2.88Å; F398-F400 VanDerWaalsContact C-N 3.29Å; F398-F400 PolarHBondContact O-N 3.2Å; F400-V402 VanDerWaalsContact C-N 3.26Å; F400-V402 PolarHBondContact O-N 3.12Å; F400-M403 WeakPolarHBondContact O-CB 3.44Å; F400-M403 PolarHBondContact O-N 2.91Å; F400-F404 HydrophobicContact CD1-CB 4.43Å; F400-F404 HydrophobicContact CE1-CB 3.86Å; F400-F404 AromaticContact CE1-CD1 3.99Å; F400-F404 HydrophobicContact CE1-CD1 3.99Å; F400-F404 HydrophobicContact CE1-CG 4.18Å; F400-F404 HydrophobicContact CE2-CB 4Å; F400-F404 HydrophobicContact CE2-CG 4.38Å; F400-F404 HydrophobicContact CZ-CB 3.63Å; F400-F404 AromaticContact CZ-CD1 3.8Å; F400-F404 HydrophobicContact CZ-CD1 3.8Å; F400-F404 AromaticContact CZ-CG 3.74Å; F400-F404 HydrophobicContact CZ-CG 3.74Å; F400-F404 PolarHBondContact O-N 3.21Å; F400-M413 HydrophobicContact CE1-CE 3.92Å; F400-M413 HydrophobicContact CE1-SD 4.33Å; F400-M413 HydrophobicContact CZ-CE 3.91Å; F400-M413 HydrophobicContact CZ-SD 4.2Å; F400-M450 HydrophobicContact CB-CE 4.32Å; F400-M450 HydrophobicContact CB-CG 4.35Å; F400-M450 HydrophobicContact CD1-CB 3.59Å; F400-M450 HydrophobicContact CD1-CE 3.5Å; F400-M450 HydrophobicContact CD1-CG 3.69Å; F400-M450 HydrophobicContact CD1-SD 4.42Å; F400-M450 HydrophobicContact CD2-CE 3.33Å; F400-M450 HydrophobicContact CE1-CB 3.77Å; F400-M450 HydrophobicContact CE1-CE 3.5Å; F400-M450 HydrophobicContact CE1-CG 4.24Å; F400-M450 HydrophobicContact CE2-CE 3.3Å; F400-M450 HydrophobicContact CG-CB 4.44Å; F400-M450 HydrophobicContact CG-CE 3.41Å; F400-M450 VanDerWaalsContact CG-CE 3.41Å; F400-M450 HydrophobicContact CG-CG 4.05Å; F400-M450 HydrophobicContact CG-SD 4.45Å; F400-M450 HydrophobicContact CZ-CE 3.39Å; F400-G782 WeakPolarHBondContact CE2-O 3.38Å; F400-A785 HydrophobicContact CD2-CB 3.85Å; F400-A785 HydrophobicContact CE2-CB 3.65Å; F400-F786 HydrophobicContact CD2-CB 4.39Å; F400-F786 HydrophobicContact CE2-CB 4.4Å; F400-A789 HydrophobicContact CB-CB 4.23Å
401	A	95.3	Very high	93.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-29.7	-179.1	0	0	0	0	0	113.5	P397 F398 F404 G405 F453 T457	P397-A401 VanDerWaalsContact O-CB 3.28Å; P397-A401 WeakPolarHBondContact O-CB 3.4Å; P397-A401 PolarHBondContact O-N 3.11Å; F398-A401 WeakPolarHBondContact O-CB 3.48Å; F398-A401 PolarHBondContact O-N 3.27Å; F398-A401 VanDerWaalsContact O-N 3.14Å; A401-F404 CarbonylContact O-C 3.48Å; A401-F404 VanDerWaalsContact O-C 3.31Å; A401-G405 VanDerWaalsContact O-CA 3.3Å; A401-G405 WeakPolarHBondContact O-CA 3.3Å; A401-G405 PolarHBondContact O-N 3.43Å; A401-F453 HydrophobicContact CB-CB 3.56Å; A401-F453 WeakPolarHBondContact CB-O 3.26Å; A401-T457 VanDerWaalsContact C-OG1 3.32Å; A401-T457 HydrophobicContact CB-CG2 3.67Å; A401-T457 WeakPolarHBondContact CB-OG1 3.3Å; A401-T457 WeakPolarHBondContact O-CB 3.48Å; A401-T457 PolarHBondContact O-OG1 2.97Å
402	V	94.8	Very high	94.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-39.4	173.3	168.7	0	0	0	0	111.5	F398 L399 F400 T457 Y461 M537 L728 S732	F398-V402 HydrophobicContact CE1-CG2 4.24Å; F398-V402 HydrophobicContact CZ-CG2 4.22Å; F398-V402 WeakPolarHBondContact O-CG2 3.48Å; F398-V402 PolarHBondContact O-N 3.16Å; L399-V402 PolarHBondContact O-N 3.33Å; F400-V402 VanDerWaalsContact C-N 3.26Å; F400-V402 PolarHBondContact O-N 3.12Å; V402-T457 HydrophobicContact CG2-CG2 4.41Å; V402-Y461 PolarHBondContact O-OH 3.28Å; V402-M537 HydrophobicContact CB-CE 4.48Å; V402-M537 HydrophobicContact CG1-CE 3.81Å; V402-M537 HydrophobicContact CG1-SD 3.86Å; V402-M537 HydrophobicContact CG2-CE 3.94Å; V402-L728 HydrophobicContact CB-CD2 4.36Å; V402-L728 HydrophobicContact CG1-CB 4.1Å; V402-L728 HydrophobicContact CG1-CD2 4.14Å; V402-S732 WeakPolarHBondContact O-CB 3.43Å; V402-S732 PolarHBondContact O-OG 3Å
403	M	94.7	Very high	94.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-72.3	-42.7	174.4	-62.8	-174.1	-175.9	0	0	111.7	L399 F400 L728 L731 S732 A785 H788 L792	L399-M403 PolarHBondContact O-N 2.9Å; F400-M403 WeakPolarHBondContact O-CB 3.44Å; F400-M403 PolarHBondContact O-N 2.91Å; M403-L728 HydrophobicContact CE-CD2 3.36Å; M403-L728 HydrophobicContact CE-CG 3.99Å; M403-L728 HydrophobicContact CG-CD2 3.77Å; M403-L728 HydrophobicContact SD-CD2 4.37Å; M403-L731 HydrophobicContact CB-CB 4.19Å; M403-L731 HydrophobicContact CG-CB 4.35Å; M403-L731 HydrophobicContact SD-CB 4.48Å; M403-L731 HydrophobicContact SD-CD2 4.09Å; M403-S732 WeakPolarHBondContact O-CA 3.34Å; M403-A785 HydrophobicContact CB-CB 3.95Å; M403-A785 HydrophobicContact SD-CB 4.38Å; M403-H788 HydrophobicContact CE-CB 3.9Å; M403-H788 HydrophobicContact SD-CB 3.81Å; M403-L792 HydrophobicContact CE-CD1 3.58Å
404	F	93.7	Very high	94.3	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.107	C	C	.	.	S	Bend	trans	-112.2	61	-173.7	-162.9	-98.1	0	0	0	110.6	F400 A401 D406 H409 M413 S454 H735 L777 E781 A785	F400-F404 HydrophobicContact CD1-CB 4.43Å; F400-F404 HydrophobicContact CE1-CB 3.86Å; F400-F404 AromaticContact CE1-CD1 3.99Å; F400-F404 HydrophobicContact CE1-CD1 3.99Å; F400-F404 HydrophobicContact CE1-CG 4.18Å; F400-F404 HydrophobicContact CE2-CB 4Å; F400-F404 HydrophobicContact CE2-CG 4.38Å; F400-F404 HydrophobicContact CZ-CB 3.63Å; F400-F404 AromaticContact CZ-CD1 3.8Å; F400-F404 HydrophobicContact CZ-CD1 3.8Å; F400-F404 AromaticContact CZ-CG 3.74Å; F400-F404 HydrophobicContact CZ-CG 3.74Å; F400-F404 PolarHBondContact O-N 3.21Å; A401-F404 CarbonylContact O-C 3.48Å; A401-F404 VanDerWaalsContact O-C 3.31Å; F404-D406 PolarHBondContact O-N 3.34Å; F404-H409 HydrophobicContact CE1-CB 3.56Å; F404-H409 HydrophobicContact CZ-CB 3.7Å; F404-M413 HydrophobicContact CD1-SD 3.98Å; F404-M413 HydrophobicContact CE1-SD 3.55Å; F404-M413 VanDerWaalsContact CE1-SD 3.55Å; F404-M413 HydrophobicContact CZ-SD 4.35Å; F404-S454 WeakPolarHBondContact O-CB 3.39Å; F404-S454 PolarHBondContact O-OG 3.4Å; F404-H735 AromaticContact CD2-CE1 3.63Å; F404-H735 AromaticContact CD2-ND1 3.71Å; F404-H735 AromaticContact CE2-CE1 3.1Å; F404-H735 WeakPolarHBondContact CE2-CE1 3.37Å; F404-H735 AromaticContact CE2-ND1 3.46Å; F404-H735 WeakPolarHBondContact CE2-ND1 3.42Å; F404-H735 AromaticContact CE2-NE2 3.8Å; F404-H735 AromaticContact CZ-CE1 3.6Å; F404-L777 WeakPolarHBondContact CE2-O 3.3Å; F404-E781 HydrophobicContact CE2-CB 4.41Å; F404-A785 HydrophobicContact CB-CB 4.34Å
405	G	90.9	Very high	94.4	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.031	11%	0.108	C	C	.	.			trans	-95.6	87.7	-176	0	0	0	0	0	112.3	A401	A401-G405 VanDerWaalsContact O-CA 3.3Å; A401-G405 WeakPolarHBondContact O-CA 3.3Å; A401-G405 PolarHBondContact O-N 3.43Å
406	D	94.1	Very high	94.3	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	12%	0.118	C	C	.	.			trans	-142.7	128.6	171.3	-172.1	-41.1	0	0	0	109.2	F404 G408 H409 G410 S454 C464 F465	F404-D406 PolarHBondContact O-N 3.34Å; D406-G408 VanDerWaalsContact C-N 3.32Å; D406-G408 PolarHBondContact O-N 3.08Å; D406-G408 PolarHBondContact OD1-N 2.95Å; D406-H409 HydrophobicContact CB-CB 4.14Å; D406-H409 IonicContact OD2-CE1 3.24Å; D406-H409 PolarHBondContact OD2-CE1 3.1Å; D406-H409 IonicContact OD2-ND1 3.46Å; D406-H409 PolarHBondContact OD2-ND1 2.93Å; D406-G410 PolarHBondContact O-N 3.12Å; D406-S454 PolarHBondContact O-OG 3.31Å; D406-C464 WeakPolarHBondContact OD1-CA 3.27Å; D406-F465 PolarHBondContact OD1-N 2.91Å; D406-F465 PolarHBondContact OD2-N 3.45Å
407	V	94.1	Very high	94.2	Very high	26 Å²	26	21.2 Å²	21.2	16%	0.158	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-40.7	-179.5	178.2	0	0	0	0	111.6	L411 A459 E463 C464	V407-L411 VanDerWaalsContact O-CB 3.31Å; V407-L411 WeakPolarHBondContact O-CB 3.26Å; V407-L411 PolarHBondContact O-N 3.13Å; V407-A459 HydrophobicContact CG2-CB 4.17Å; V407-E463 PolarHBondContact N-O 3.3Å; V407-C464 HydrophobicContact CB-CB 4.09Å
408	G	92.7	Very high	94.1	Very high	3 Å²	3	25 Å²	25	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-70.1	-49.7	-176.7	0	0	0	0	0	112.1	D406 L411 L412 F465	D406-G408 VanDerWaalsContact C-N 3.32Å; D406-G408 PolarHBondContact O-N 3.08Å; D406-G408 PolarHBondContact OD1-N 2.95Å; G408-L411 PolarHBondContact O-N 2.92Å; G408-L412 PolarHBondContact O-N 3.35Å; G408-L412 VanDerWaalsContact O-N 3.16Å; G408-F465 VanDerWaalsContact CA-CE2 3.49Å
409	H	93.4	Very high	93.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-41.6	176.9	-59	138.5	0	0	0	111.9	F404 D406 L411 L412 M413 F465 H735 T773 L778	F404-H409 HydrophobicContact CE1-CB 3.56Å; F404-H409 HydrophobicContact CZ-CB 3.7Å; D406-H409 HydrophobicContact CB-CB 4.14Å; D406-H409 IonicContact OD2-CE1 3.24Å; D406-H409 PolarHBondContact OD2-CE1 3.1Å; D406-H409 IonicContact OD2-ND1 3.46Å; D406-H409 PolarHBondContact OD2-ND1 2.93Å; H409-L411 VanDerWaalsContact C-N 3.31Å; H409-L411 PolarHBondContact O-N 3.26Å; H409-L412 PolarHBondContact O-N 3.01Å; H409-M413 WeakPolarHBondContact O-CG 3.44Å; H409-M413 PolarHBondContact O-N 3.41Å; H409-F465 AromaticContact CD2-CD1 4Å; H409-F465 AromaticContact CD2-CE1 3.65Å; H409-F465 AromaticContact NE2-CD1 3.71Å; H409-F465 AromaticContact NE2-CE1 3.81Å; H409-H735 AromaticContact CE1-CE1 3.82Å; H409-H735 AromaticContact CE1-NE2 3.83Å; H409-H735 AromaticContact ND1-CE1 3.32Å; H409-H735 PolarHBondContact ND1-CE1 3.47Å; H409-H735 VanDerWaalsContact ND1-CE1 3.32Å; H409-H735 AromaticContact ND1-NE2 3.14Å; H409-H735 PolarHBondContact ND1-NE2 2.71Å; H409-H735 VanDerWaalsContact ND1-NE2 3.14Å; H409-T773 VanDerWaalsContact NE2-CG2 3.27Å; H409-T773 WeakPolarHBondContact NE2-CG2 3.44Å; H409-L778 HydrophobicContact CB-CD1 4.04Å
410	G	94.3	Very high	93.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-39.5	175.4	0	0	0	0	0	112.7	D406 M413 S414	D406-G410 PolarHBondContact O-N 3.12Å; G410-M413 PolarHBondContact O-N 3.48Å; G410-S414 WeakPolarHBondContact O-CB 3.48Å; G410-S414 PolarHBondContact O-N 2.75Å; G410-S414 PolarHBondContact O-OG 3.02Å
411	L	94.9	Very high	93.3	Very high	88 Å²	88	29.2 Å²	29.2	46%	0.461	16%	0.156	S	C	.	.	H	α-helix	trans	-61.8	-48.5	174.3	-176.1	67.1	0	0	0	111.6	V407 G408 H409 M413 S414 L415 I455	V407-L411 VanDerWaalsContact O-CB 3.31Å; V407-L411 WeakPolarHBondContact O-CB 3.26Å; V407-L411 PolarHBondContact O-N 3.13Å; G408-L411 PolarHBondContact O-N 2.92Å; H409-L411 VanDerWaalsContact C-N 3.31Å; H409-L411 PolarHBondContact O-N 3.26Å; L411-M413 PolarHBondContact O-N 3.25Å; L411-S414 PolarHBondContact O-N 3.24Å; L411-S414 PolarHBondContact O-OG 3.08Å; L411-L415 HydrophobicContact CD1-CD1 4.47Å; L411-L415 HydrophobicContact CD1-CG 4.48Å; L411-L415 HydrophobicContact CG-CD1 4.17Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.29Å; L411-I455 HydrophobicContact CD1-CD1 4.44Å
412	L	94.5	Very high	93	Very high	71 Å²	71	35.6 Å²	35.6	37%	0.372	19%	0.189	S	C	.	.	H	α-helix	trans	-60.1	-44.3	177.4	-69.2	175	0	0	0	112.1	G408 H409 L415 A416 F465 L778	G408-L412 PolarHBondContact O-N 3.35Å; G408-L412 VanDerWaalsContact O-N 3.16Å; H409-L412 PolarHBondContact O-N 3.01Å; L412-L415 PolarHBondContact O-N 3.02Å; L412-A416 WeakPolarHBondContact O-CB 3.39Å; L412-A416 PolarHBondContact O-N 2.99Å; L412-F465 HydrophobicContact CD1-CE1 4.3Å; L412-F465 HydrophobicContact CD1-CZ 4.1Å; L412-L778 HydrophobicContact CB-CD1 4.12Å
413	M	94.1	Very high	92.4	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-44.6	174.7	-73.8	-176.1	58.2	0	0	112	F400 F404 H409 G410 L411 L415 A416 A417 I447 M450 L778	F400-M413 HydrophobicContact CE1-CE 3.92Å; F400-M413 HydrophobicContact CE1-SD 4.33Å; F400-M413 HydrophobicContact CZ-CE 3.91Å; F400-M413 HydrophobicContact CZ-SD 4.2Å; F404-M413 HydrophobicContact CD1-SD 3.98Å; F404-M413 HydrophobicContact CE1-SD 3.55Å; F404-M413 VanDerWaalsContact CE1-SD 3.55Å; F404-M413 HydrophobicContact CZ-SD 4.35Å; H409-M413 WeakPolarHBondContact O-CG 3.44Å; H409-M413 PolarHBondContact O-N 3.41Å; G410-M413 PolarHBondContact O-N 3.48Å; L411-M413 PolarHBondContact O-N 3.25Å; M413-L415 PolarHBondContact O-N 3.17Å; M413-A416 PolarHBondContact O-N 3.09Å; M413-A417 WeakPolarHBondContact O-CB 3.29Å; M413-A417 PolarHBondContact O-N 2.82Å; M413-I447 HydrophobicContact CE-CG2 4.22Å; M413-M450 HydrophobicContact CE-CB 4.22Å; M413-M450 HydrophobicContact CE-CE 4.36Å; M413-L778 HydrophobicContact CG-CD1 3.82Å; M413-L778 HydrophobicContact CG-CD2 4.06Å; M413-L778 HydrophobicContact CG-CG 3.89Å
414	S	94.9	Very high	91.7	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-179.4	73.9	0	0	0	0	112.4	G410 L411 A417 L418	G410-S414 WeakPolarHBondContact O-CB 3.48Å; G410-S414 PolarHBondContact O-N 2.75Å; G410-S414 PolarHBondContact O-OG 3.02Å; L411-S414 PolarHBondContact O-N 3.24Å; L411-S414 PolarHBondContact O-OG 3.08Å; S414-A417 PolarHBondContact O-N 3.3Å; S414-L418 VanDerWaalsContact O-CB 3.25Å; S414-L418 WeakPolarHBondContact O-CB 3.35Å; S414-L418 PolarHBondContact O-N 3.37Å
415	L	95.1	Very high	90.8	Very high	94 Å²	94	51 Å²	51	49%	0.492	26%	0.258	S	S	.	.	H	α-helix	trans	-67.8	-43.8	176.8	-71.5	173.3	0	0	0	111.6	L411 L412 M413 A417 L418 W419	L411-L415 HydrophobicContact CD1-CD1 4.47Å; L411-L415 HydrophobicContact CD1-CG 4.48Å; L411-L415 HydrophobicContact CG-CD1 4.17Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.29Å; L412-L415 PolarHBondContact O-N 3.02Å; M413-L415 PolarHBondContact O-N 3.17Å; L415-A417 VanDerWaalsContact C-N 3.33Å; L415-A417 PolarHBondContact O-N 3.06Å; L415-L418 PolarHBondContact O-N 3.33Å; L415-W419 WeakPolarHBondContact O-CB 3.44Å; L415-W419 PolarHBondContact O-N 2.98Å
416	A	91.8	Very high	89.9	Confident	47 Å²	47	54.7 Å²	54.7	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.6	0	0	0	0	0	111.8	L412 M413 W419 M420	L412-A416 WeakPolarHBondContact O-CB 3.39Å; L412-A416 PolarHBondContact O-N 2.99Å; M413-A416 PolarHBondContact O-N 3.09Å; A416-W419 PolarHBondContact O-N 3.35Å; A416-M420 PolarHBondContact O-N 3.38Å
417	A	92.4	Very high	88.3	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-42.7	175.8	0	0	0	0	0	112.5	M413 S414 L415 W419 M420 V421 I447 L448	M413-A417 WeakPolarHBondContact O-CB 3.29Å; M413-A417 PolarHBondContact O-N 2.82Å; S414-A417 PolarHBondContact O-N 3.3Å; L415-A417 VanDerWaalsContact C-N 3.33Å; L415-A417 PolarHBondContact O-N 3.06Å; A417-W419 VanDerWaalsContact C-N 3.3Å; A417-W419 PolarHBondContact O-N 3.21Å; A417-M420 HydrophobicContact CB-CE 4.45Å; A417-M420 PolarHBondContact O-N 3.43Å; A417-V421 WeakPolarHBondContact O-CG2 3.28Å; A417-V421 PolarHBondContact O-N 3.27Å; A417-I447 HydrophobicContact CB-CB 4.13Å; A417-I447 HydrophobicContact CB-CG2 3.9Å; A417-L448 HydrophobicContact CB-CB 3.86Å; A417-L448 HydrophobicContact CB-CD1 4.12Å
418	L	93.6	Very high	86.8	Confident	79 Å²	79	66.1 Å²	66.1	41%	0.414	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-41.9	176.5	-176	67.2	0	0	0	110.9	S414 L415 M420 V421 L422 L448	S414-L418 VanDerWaalsContact O-CB 3.25Å; S414-L418 WeakPolarHBondContact O-CB 3.35Å; S414-L418 PolarHBondContact O-N 3.37Å; L415-L418 PolarHBondContact O-N 3.33Å; L418-M420 PolarHBondContact O-N 2.8Å; L418-V421 PolarHBondContact O-N 2.87Å; L418-V421 VanDerWaalsContact O-N 3.16Å; L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.06Å; L418-L422 HydrophobicContact CG-CG 4.37Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.44Å; L418-L448 HydrophobicContact CB-CD1 4.44Å
419	W	91.8	Very high	85.4	Confident	122 Å²	122	67.1 Å²	67.1	46%	0.462	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-47.2	174.4	175.9	59.1	0	0	0	112	L415 A416 A417 V421 L422 E423 W437	L415-W419 WeakPolarHBondContact O-CB 3.44Å; L415-W419 PolarHBondContact O-N 2.98Å; A416-W419 PolarHBondContact O-N 3.35Å; A417-W419 VanDerWaalsContact C-N 3.3Å; A417-W419 PolarHBondContact O-N 3.21Å; W419-V421 VanDerWaalsContact C-N 3.29Å; W419-V421 PolarHBondContact O-N 3.2Å; W419-L422 PolarHBondContact O-N 3.09Å; W419-E423 WeakPolarHBondContact CZ2-OE2 3.36Å; W419-E423 PolarHBondContact NE1-OE1 3.22Å; W419-E423 PolarHBondContact NE1-OE2 2.81Å; W419-E423 PolarHBondContact O-N 2.82Å; W419-E423 VanDerWaalsContact O-N 3.14Å; W419-W437 HydrophobicContact CH2-CH2 4.25Å; W419-W437 AromaticContact CZ3-CH2 3.96Å; W419-W437 HydrophobicContact CZ3-CH2 3.96Å
420	M	88.7	Confident	84	Confident	10 Å²	10	73.6 Å²	73.6	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-31.3	175.6	-69.8	-173.5	-71.9	0	0	113.9	A416 A417 L418 W437 R444 I447	A416-M420 PolarHBondContact O-N 3.38Å; A417-M420 HydrophobicContact CB-CE 4.45Å; A417-M420 PolarHBondContact O-N 3.43Å; L418-M420 PolarHBondContact O-N 2.8Å; M420-W437 HydrophobicContact CG-CH2 4.42Å; M420-W437 HydrophobicContact SD-CH2 4.44Å; M420-R444 HydrophobicContact CB-CB 4.31Å; M420-I447 HydrophobicContact CE-CD1 4.02Å
421	V	89.3	Confident	82.6	Confident	32 Å²	32	78.6 Å²	78.6	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-76.7	-38.7	177.6	172.7	0	0	0	0	111.4	A417 L418 W419 E424 R444 Y445	A417-V421 WeakPolarHBondContact O-CG2 3.28Å; A417-V421 PolarHBondContact O-N 3.27Å; L418-V421 PolarHBondContact O-N 2.87Å; L418-V421 VanDerWaalsContact O-N 3.16Å; W419-V421 VanDerWaalsContact C-N 3.29Å; W419-V421 PolarHBondContact O-N 3.2Å; V421-E424 WeakPolarHBondContact O-CB 3.24Å; V421-E424 PolarHBondContact O-N 3.42Å; V421-R444 HydrophobicContact CG2-CB 4.18Å; V421-R444 HydrophobicContact CG2-CG 4.06Å; V421-Y445 HydrophobicContact CG1-CE1 4.11Å; V421-Y445 HydrophobicContact CG2-CD1 4.33Å; V421-Y445 HydrophobicContact CG2-CE1 4.18Å
422	L	88.1	Confident	81.4	Confident	133 Å²	133	77 Å²	77	70%	0.696	39%	0.385	S	S	*	.	H	α-helix	trans	-68	-37.7	179	-69.8	173.8	0	0	0	112.3	L418 W419 E424	L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.06Å; L418-L422 HydrophobicContact CG-CG 4.37Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.44Å; W419-L422 PolarHBondContact O-N 3.09Å; L422-E424 VanDerWaalsContact C-N 3.29Å; L422-E424 PolarHBondContact O-N 3.23Å
423	E	83.8	Confident	80	Confident	63 Å²	63	78.7 Å²	78.7	29%	0.294	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	18.7	178.8	-69	-174.2	-174.6	0	0	113.8	W419 K425 D426 L429	W419-E423 WeakPolarHBondContact CZ2-OE2 3.36Å; W419-E423 PolarHBondContact NE1-OE1 3.22Å; W419-E423 PolarHBondContact NE1-OE2 2.81Å; W419-E423 PolarHBondContact O-N 2.82Å; W419-E423 VanDerWaalsContact O-N 3.14Å; E423-K425 PolarHBondContact O-N 3.37Å; E423-D426 PolarHBondContact O-N 3.12Å; E423-L429 HydrophobicContact CB-CD2 3.86Å
424	E	79.1	Confident	79.5	Confident	62 Å²	62	82.9 Å²	82.9	29%	0.29	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.5	-176.9	177.6	169.2	168.6	0	0	113.7	V421 L422 F441 R444 Y445	V421-E424 WeakPolarHBondContact O-CB 3.24Å; V421-E424 PolarHBondContact O-N 3.42Å; L422-E424 VanDerWaalsContact C-N 3.29Å; L422-E424 PolarHBondContact O-N 3.23Å; E424-F441 HydrophobicContact CG-CZ 4.37Å; E424-R444 IonicContact OE1-CZ 3.55Å; E424-R444 IonicContact OE1-NH2 3.65Å; E424-R444 PolarHBondContact OE1-NH2 3.43Å; E424-R444 IonicContact OE2-CZ 3.82Å; E424-R444 IonicContact OE2-NE 3.8Å; E424-R444 PolarHBondContact OE2-NE 3.12Å; E424-R444 IonicContact OE2-NH2 3.94Å; E424-R444 PolarHBondContact OE2-NH2 3.34Å; E424-Y445 PolarHBondContact OE2-OH 3.25Å
425	K	74.5	Confident	78.9	Confident	204 Å²	204	88.4 Å²	88.4	89%	0.887	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.7	-178.1	-66.1	-177.9	-178.7	176.9	0	113.6	E423 P427	E423-K425 PolarHBondContact O-N 3.37Å; K425-P427 WeakPolarHBondContact O-CD 3.24Å
426	D	72.1	Confident	78.4	Confident	80 Å²	80	90.3 Å²	90.3	43%	0.428	45%	0.451	S	S	.	.			trans	-78.1	119	-174.6	-78.4	-39.6	0	0	0	111.7	E423 K428 L429 K430	E423-D426 PolarHBondContact O-N 3.12Å; D426-K428 PolarHBondContact O-N 3.43Å; D426-L429 PolarHBondContact O-N 3.42Å; D426-L429 VanDerWaalsContact O-N 3.13Å; D426-K430 PolarHBondContact O-N 2.92Å
427	P	61.5	Low	78.2	Confident	95 Å²	95	90.1 Å²	90.1	62%	0.617	44%	0.44	S	S	*	.	H	α-helix	trans	-66.6	-24.6	-173.8	25.8	-34.1	0	0	0	112.8	K425 L429 N431	K425-P427 WeakPolarHBondContact O-CD 3.24Å; P427-L429 VanDerWaalsContact C-N 3.33Å; P427-N431 VanDerWaalsContact O-CB 3.27Å; P427-N431 WeakPolarHBondContact O-CB 3.36Å; P427-N431 PolarHBondContact O-N 3.41Å
428	K	62.9	Low	77.7	Confident	176 Å²	176	93.2 Å²	93.2	77%	0.765	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-36.4	176.4	-66.6	-179.1	-177.3	173.3	0	112.3	D426	D426-K428 PolarHBondContact O-N 3.43Å
429	L	63	Low	77.3	Confident	23 Å²	23	96 Å²	96	12%	0.12	47%	0.466	C	S	.	.	H	α-helix	trans	-79.6	-34.6	-177.5	-151.7	71.1	0	0	0	111.1	E423 D426 P427 W437 F441	E423-L429 HydrophobicContact CB-CD2 3.86Å; D426-L429 PolarHBondContact O-N 3.42Å; D426-L429 VanDerWaalsContact O-N 3.13Å; P427-L429 VanDerWaalsContact C-N 3.33Å; L429-W437 HydrophobicContact CD1-CH2 3.97Å; L429-W437 HydrophobicContact CD1-CZ2 3.24Å; L429-W437 HydrophobicContact CD2-CZ2 3.96Å; L429-W437 HydrophobicContact CG-CZ2 3.47Å; L429-W437 VanDerWaalsContact CG-CZ2 3.47Å; L429-W437 PolarHBondContact O-NE1 3.13Å; L429-F441 HydrophobicContact CD2-CD2 4.33Å; L429-F441 HydrophobicContact CD2-CE2 3.99Å; L429-F441 HydrophobicContact CG-CE2 4.46Å
430	K	63.4	Low	76.9	Confident	139 Å²	139	94 Å²	94	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-73.8	-36.5	177.6	-170.1	175.6	179.3	-179.4	0	113.3	D426	D426-K430 PolarHBondContact O-N 2.92Å
431	N	64.2	Low	76.8	Confident	105 Å²	105	94.5 Å²	94.5	56%	0.561	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	22.4	-175.4	-155.9	55	0	0	0	113.6	P427	P427-N431 VanDerWaalsContact O-CB 3.27Å; P427-N431 WeakPolarHBondContact O-CB 3.36Å; P427-N431 PolarHBondContact O-N 3.41Å
432	N	69.9	Low	76.5	Confident	54 Å²	54	95.1 Å²	95.1	29%	0.289	48%	0.477	S	S	.	.			trans	-76.3	125.9	176.2	-167.5	1.4	0	0	0	109.6	N434 W437	N432-N434 VanDerWaalsContact C-N 3.27Å; N432-N434 PolarHBondContact O-N 2.84Å; N432-W437 HydrophobicContact CB-CG 4.2Å
433	N	66.6	Low	76.4	Confident	107 Å²	107	89.5 Å²	89.5	57%	0.572	45%	0.452	S	S	*	.			trans	-79.2	-7.4	-174.3	-73.8	-2.7	0	0	0	113.6	E435	N433-E435 PolarHBondContact O-N 3.49Å
434	N	82.4	Confident	76.7	Confident	103 Å²	103	87.5 Å²	87.5	55%	0.551	44%	0.441	S	S	*	.			trans	-66.4	117.8	177.5	-70	-7.2	0	0	0	110.9	N432 I436 W437 K438	N432-N434 VanDerWaalsContact C-N 3.27Å; N432-N434 PolarHBondContact O-N 2.84Å; N434-I436 VanDerWaalsContact C-N 3.31Å; N434-I436 PolarHBondContact O-N 2.88Å; N434-W437 HydrophobicContact CB-CB 3.92Å; N434-W437 WeakPolarHBondContact O-CA 3.24Å; N434-W437 WeakPolarHBondContact O-CB 3.33Å; N434-W437 PolarHBondContact O-N 3.48Å; N434-K438 PolarHBondContact O-N 2.97Å
435	E	83.3	Confident	77.3	Confident	129 Å²	129	86.7 Å²	86.7	60%	0.603	44%	0.436	S	S	*	.	H	α-helix	trans	-56.7	-41.3	-178.5	-68.8	-56.4	136	0	0	113.2	N433 W437 K438 M439	N433-E435 PolarHBondContact O-N 3.49Å; E435-W437 VanDerWaalsContact C-N 3.27Å; E435-W437 PolarHBondContact O-N 2.93Å; E435-K438 PolarHBondContact O-N 3.26Å; E435-K438 IonicContact OE1-NZ 2.86Å; E435-K438 PolarHBondContact OE1-NZ 3.34Å; E435-M439 PolarHBondContact O-N 3.49Å
436	I	85.1	Confident	78.1	Confident	133 Å²	133	77.4 Å²	77.4	68%	0.682	40%	0.396	S	S	*	.	H	α-helix	trans	-60.7	-40.5	176.1	-61.3	167.2	0	0	0	110.6	N434 M439 M440	N434-I436 VanDerWaalsContact C-N 3.31Å; N434-I436 PolarHBondContact O-N 2.88Å; I436-M439 PolarHBondContact O-N 3.49Å; I436-M440 WeakPolarHBondContact O-CG 3.22Å; I436-M440 PolarHBondContact O-N 3.18Å
437	W	85.6	Confident	79.1	Confident	43 Å²	43	75.3 Å²	75.3	16%	0.163	38%	0.384	C	S	.	.	H	α-helix	trans	-67.6	-43.6	178.5	-175.6	-91.7	0	0	0	111.5	W419 M420 L429 N432 N434 E435 M439 M440 F441	W419-W437 HydrophobicContact CH2-CH2 4.25Å; W419-W437 AromaticContact CZ3-CH2 3.96Å; W419-W437 HydrophobicContact CZ3-CH2 3.96Å; M420-W437 HydrophobicContact CG-CH2 4.42Å; M420-W437 HydrophobicContact SD-CH2 4.44Å; L429-W437 HydrophobicContact CD1-CH2 3.97Å; L429-W437 HydrophobicContact CD1-CZ2 3.24Å; L429-W437 HydrophobicContact CD2-CZ2 3.96Å; L429-W437 HydrophobicContact CG-CZ2 3.47Å; L429-W437 VanDerWaalsContact CG-CZ2 3.47Å; L429-W437 PolarHBondContact O-NE1 3.13Å; N432-W437 HydrophobicContact CB-CG 4.2Å; N434-W437 HydrophobicContact CB-CB 3.92Å; N434-W437 WeakPolarHBondContact O-CA 3.24Å; N434-W437 WeakPolarHBondContact O-CB 3.33Å; N434-W437 PolarHBondContact O-N 3.48Å; E435-W437 VanDerWaalsContact C-N 3.27Å; E435-W437 PolarHBondContact O-N 2.93Å; W437-M439 VanDerWaalsContact C-N 3.3Å; W437-M439 PolarHBondContact O-N 2.83Å; W437-M440 HydrophobicContact CE3-CE 4.06Å; W437-M440 HydrophobicContact CZ3-CE 4.29Å; W437-M440 PolarHBondContact O-N 3.47Å; W437-F441 VanDerWaalsContact O-CB 3.26Å; W437-F441 WeakPolarHBondContact O-CB 3.33Å; W437-F441 PolarHBondContact O-N 2.89Å
438	K	83.1	Confident	80.7	Confident	66 Å²	66	72.5 Å²	72.5	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-43.9	175.2	-67.5	178.1	-171.8	164.4	0	111.3	N434 E435 G442	N434-K438 PolarHBondContact O-N 2.97Å; E435-K438 PolarHBondContact O-N 3.26Å; E435-K438 IonicContact OE1-NZ 2.86Å; E435-K438 PolarHBondContact OE1-NZ 3.34Å; K438-G442 PolarHBondContact O-N 3.44Å
439	M	84.5	Confident	82.2	Confident	137 Å²	137	65.6 Å²	65.6	68%	0.675	34%	0.335	S	S	*	.	H	α-helix	trans	-63.4	-48.3	177.5	-173.8	178.3	177.1	0	0	111.8	E435 I436 W437 F441 G442 G443	E435-M439 PolarHBondContact O-N 3.49Å; I436-M439 PolarHBondContact O-N 3.49Å; W437-M439 VanDerWaalsContact C-N 3.3Å; W437-M439 PolarHBondContact O-N 2.83Å; M439-F441 PolarHBondContact O-N 3.2Å; M439-G442 PolarHBondContact O-N 2.86Å; M439-G443 PolarHBondContact O-N 2.99Å; M439-G443 VanDerWaalsContact O-N 3.12Å
440	M	84.8	Confident	83.7	Confident	79 Å²	79	64.8 Å²	64.8	39%	0.389	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-42.7	177.8	-71.7	-157.3	-58.5	0	0	112.3	I436 W437 G443 R444	I436-M440 WeakPolarHBondContact O-CG 3.22Å; I436-M440 PolarHBondContact O-N 3.18Å; W437-M440 HydrophobicContact CE3-CE 4.06Å; W437-M440 HydrophobicContact CZ3-CE 4.29Å; W437-M440 PolarHBondContact O-N 3.47Å; M440-G443 CarbonylContact O-C 3.58Å; M440-G443 PolarHBondContact O-N 3.34Å; M440-R444 PolarHBondContact O-N 3.38Å
441	F	85.4	Confident	85.2	Confident	22 Å²	22	58.2 Å²	58.2	10%	0.096	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-36.3	179.9	-171.4	-99.3	0	0	0	112.3	E424 L429 W437 M439 G443 R444	E424-F441 HydrophobicContact CG-CZ 4.37Å; L429-F441 HydrophobicContact CD2-CD2 4.33Å; L429-F441 HydrophobicContact CD2-CE2 3.99Å; L429-F441 HydrophobicContact CG-CE2 4.46Å; W437-F441 VanDerWaalsContact O-CB 3.26Å; W437-F441 WeakPolarHBondContact O-CB 3.33Å; W437-F441 PolarHBondContact O-N 2.89Å; M439-F441 PolarHBondContact O-N 3.2Å; F441-G443 VanDerWaalsContact C-N 3.27Å; F441-G443 PolarHBondContact O-N 3.03Å; F441-R444 WeakPolarHBondContact O-CG 3.41Å; F441-R444 PolarHBondContact O-N 3.45Å; F441-R444 PolarHBondContact O-NH1 2.91Å
442	G	82.8	Confident	86.7	Confident	44 Å²	44	57.6 Å²	57.6	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-33.5	171.5	0	0	0	0	0	112.9	K438 M439	K438-G442 PolarHBondContact O-N 3.44Å; M439-G442 PolarHBondContact O-N 2.86Å
443	G	86.2	Confident	88	Confident	15 Å²	15	57.3 Å²	57.3	16%	0.155	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.1	178.1	0	0	0	0	0	116	M439 M440 F441 Y445 L446 I447	M439-G443 PolarHBondContact O-N 2.99Å; M439-G443 VanDerWaalsContact O-N 3.12Å; M440-G443 CarbonylContact O-C 3.58Å; M440-G443 PolarHBondContact O-N 3.34Å; F441-G443 VanDerWaalsContact C-N 3.27Å; F441-G443 PolarHBondContact O-N 3.03Å; G443-Y445 VanDerWaalsContact C-N 3.35Å; G443-Y445 PolarHBondContact O-N 3.01Å; G443-L446 WeakPolarHBondContact O-CA 3.43Å; G443-L446 WeakPolarHBondContact O-CB 3.43Å; G443-L446 PolarHBondContact O-N 3Å; G443-I447 PolarHBondContact O-N 3.45Å
444	R	90.5	Very high	89.4	Confident	22 Å²	22	52.2 Å²	52.2	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-43.9	-170.7	64.6	-174.6	173.7	-77.8	-1.2	114.9	M420 V421 E424 M440 F441 L446 I447 L448	M420-R444 HydrophobicContact CB-CB 4.31Å; V421-R444 HydrophobicContact CG2-CB 4.18Å; V421-R444 HydrophobicContact CG2-CG 4.06Å; E424-R444 IonicContact OE1-CZ 3.55Å; E424-R444 IonicContact OE1-NH2 3.65Å; E424-R444 PolarHBondContact OE1-NH2 3.43Å; E424-R444 IonicContact OE2-CZ 3.82Å; E424-R444 IonicContact OE2-NE 3.8Å; E424-R444 PolarHBondContact OE2-NE 3.12Å; E424-R444 IonicContact OE2-NH2 3.94Å; E424-R444 PolarHBondContact OE2-NH2 3.34Å; M440-R444 PolarHBondContact O-N 3.38Å; F441-R444 WeakPolarHBondContact O-CG 3.41Å; F441-R444 PolarHBondContact O-N 3.45Å; F441-R444 PolarHBondContact O-NH1 2.91Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.41Å; R444-I447 PolarHBondContact O-N 3.43Å; R444-L448 PolarHBondContact O-N 3.32Å; R444-L448 VanDerWaalsContact O-N 3.08Å
445	Y	91.3	Very high	90	Very high	45 Å²	45	49.6 Å²	49.6	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-29.5	178.9	-66.3	-70.2	0	0	0	112.9	F367 V421 E424 G443 L449	F367-Y445 AromaticContact CD2-CD1 3.76Å; F367-Y445 HydrophobicContact CD2-CD1 3.76Å; F367-Y445 HydrophobicContact CD2-CD2 4.38Å; F367-Y445 AromaticContact CD2-CG 3.67Å; F367-Y445 HydrophobicContact CD2-CG 3.67Å; F367-Y445 HydrophobicContact CE2-CD1 4.35Å; F367-Y445 HydrophobicContact CE2-CG 4.33Å; V421-Y445 HydrophobicContact CG1-CE1 4.11Å; V421-Y445 HydrophobicContact CG2-CD1 4.33Å; V421-Y445 HydrophobicContact CG2-CE1 4.18Å; E424-Y445 PolarHBondContact OE2-OH 3.25Å; G443-Y445 VanDerWaalsContact C-N 3.35Å; G443-Y445 PolarHBondContact O-N 3.01Å; Y445-L449 PolarHBondContact O-N 2.87Å; Y445-L449 VanDerWaalsContact O-N 3.15Å
446	L	91.9	Very high	90.5	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-44.8	176.4	172	151.7	0	0	0	110.8	F371 I374 F396 G443 R444 L448 L449 M450 F786	F371-L446 HydrophobicContact CD1-CD1 4.03Å; F371-L446 HydrophobicContact CE1-CB 4.03Å; F371-L446 HydrophobicContact CE1-CD1 3.78Å; F371-L446 HydrophobicContact CE1-CG 4.01Å; F371-L446 HydrophobicContact CE2-CB 4.36Å; F371-L446 HydrophobicContact CZ-CB 3.8Å; F371-L446 HydrophobicContact CZ-CD1 4.41Å; F371-L446 HydrophobicContact CZ-CG 4.26Å; I374-L446 HydrophobicContact CD1-CD1 3.24Å; F396-L446 HydrophobicContact CD1-CD1 4.12Å; F396-L446 HydrophobicContact CD1-CG 4.47Å; F396-L446 HydrophobicContact CE1-CD1 3.89Å; F396-L446 HydrophobicContact CE1-CD2 4.25Å; F396-L446 HydrophobicContact CE1-CG 4.21Å; G443-L446 WeakPolarHBondContact O-CA 3.43Å; G443-L446 WeakPolarHBondContact O-CB 3.43Å; G443-L446 PolarHBondContact O-N 3Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.41Å; L446-L448 VanDerWaalsContact C-N 3.27Å; L446-L448 PolarHBondContact O-N 3.32Å; L446-L449 PolarHBondContact O-N 3.47Å; L446-M450 HydrophobicContact CD2-CG 4.44Å; L446-M450 HydrophobicContact CD2-SD 3.22Å; L446-M450 WeakPolarHBondContact CD2-SD 3.26Å; L446-M450 HydrophobicContact CG-SD 4Å; L446-M450 WeakPolarHBondContact O-CB 3.42Å; L446-M450 VanDerWaalsContact O-CG 3.29Å; L446-M450 WeakPolarHBondContact O-CG 3.47Å; L446-M450 PolarHBondContact O-N 2.86Å; L446-F786 HydrophobicContact CD1-CE2 4.34Å; L446-F786 HydrophobicContact CD2-CD2 4.27Å; L446-F786 HydrophobicContact CD2-CE2 3.75Å
447	I	93.1	Very high	90.9	Very high	35 Å²	35	43.1 Å²	43.1	18%	0.179	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-37.8	176.5	-58.1	170.8	0	0	0	110.2	M413 A417 M420 G443 R444 M450 G451	M413-I447 HydrophobicContact CE-CG2 4.22Å; A417-I447 HydrophobicContact CB-CB 4.13Å; A417-I447 HydrophobicContact CB-CG2 3.9Å; M420-I447 HydrophobicContact CE-CD1 4.02Å; G443-I447 PolarHBondContact O-N 3.45Å; R444-I447 PolarHBondContact O-N 3.43Å; I447-M450 PolarHBondContact O-N 2.86Å; I447-G451 PolarHBondContact O-N 3.17Å
448	L	94.4	Very high	91.3	Very high	37 Å²	37	41.1 Å²	41.1	19%	0.194	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-49.5	176.1	-176.9	66.6	0	0	0	111.8	A417 L418 R444 L446 G451 L452	A417-L448 HydrophobicContact CB-CB 3.86Å; A417-L448 HydrophobicContact CB-CD1 4.12Å; L418-L448 HydrophobicContact CB-CD1 4.44Å; R444-L448 PolarHBondContact O-N 3.32Å; R444-L448 VanDerWaalsContact O-N 3.08Å; L446-L448 VanDerWaalsContact C-N 3.27Å; L446-L448 PolarHBondContact O-N 3.32Å; L448-G451 PolarHBondContact O-N 2.88Å; L448-L452 HydrophobicContact CG-CD1 4.41Å; L448-L452 WeakPolarHBondContact O-CG 3.09Å; L448-L452 PolarHBondContact O-N 3.4Å
449	L	94.9	Very high	91.7	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-41.3	177.7	-77.9	175.5	0	0	0	111.9	F367 F371 I393 P397 Y445 L446 G451 L452 F453	F367-L449 HydrophobicContact CE2-CD1 4.14Å; F367-L449 HydrophobicContact CZ-CD1 3.74Å; F371-L449 HydrophobicContact CE2-CD1 4.32Å; F371-L449 HydrophobicContact CZ-CD1 3.8Å; I393-L449 HydrophobicContact CG2-CD1 4.33Å; P397-L449 HydrophobicContact CB-CB 3.98Å; P397-L449 HydrophobicContact CG-CB 3.81Å; P397-L449 HydrophobicContact CG-CD1 4.47Å; Y445-L449 PolarHBondContact O-N 2.87Å; Y445-L449 VanDerWaalsContact O-N 3.15Å; L446-L449 PolarHBondContact O-N 3.47Å; L449-G451 VanDerWaalsContact C-N 3.33Å; L449-G451 PolarHBondContact O-N 2.86Å; L449-L452 PolarHBondContact O-N 3.04Å; L449-F453 HydrophobicContact CB-CD2 4.49Å; L449-F453 HydrophobicContact CD2-CE2 4.3Å; L449-F453 VanDerWaalsContact O-CD2 3.23Å; L449-F453 WeakPolarHBondContact O-CD2 3.34Å; L449-F453 PolarHBondContact O-N 2.94Å
450	M	94.7	Very high	92	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.034	18%	0.183	C	C	.	.	H	α-helix	trans	-58.4	-44.1	175.3	-75.1	165.8	70.1	0	0	112.1	F396 P397 F400 M413 L446 I447 S454 F786	F396-M450 HydrophobicContact CE1-SD 4.09Å; P397-M450 HydrophobicContact CB-CG 4.1Å; P397-M450 HydrophobicContact CG-CG 4.44Å; F400-M450 HydrophobicContact CB-CE 4.32Å; F400-M450 HydrophobicContact CB-CG 4.35Å; F400-M450 HydrophobicContact CD1-CB 3.59Å; F400-M450 HydrophobicContact CD1-CE 3.5Å; F400-M450 HydrophobicContact CD1-CG 3.69Å; F400-M450 HydrophobicContact CD1-SD 4.42Å; F400-M450 HydrophobicContact CD2-CE 3.33Å; F400-M450 HydrophobicContact CE1-CB 3.77Å; F400-M450 HydrophobicContact CE1-CE 3.5Å; F400-M450 HydrophobicContact CE1-CG 4.24Å; F400-M450 HydrophobicContact CE2-CE 3.3Å; F400-M450 HydrophobicContact CG-CB 4.44Å; F400-M450 HydrophobicContact CG-CE 3.41Å; F400-M450 VanDerWaalsContact CG-CE 3.41Å; F400-M450 HydrophobicContact CG-CG 4.05Å; F400-M450 HydrophobicContact CG-SD 4.45Å; F400-M450 HydrophobicContact CZ-CE 3.39Å; M413-M450 HydrophobicContact CE-CB 4.22Å; M413-M450 HydrophobicContact CE-CE 4.36Å; L446-M450 HydrophobicContact CD2-CG 4.44Å; L446-M450 HydrophobicContact CD2-SD 3.22Å; L446-M450 WeakPolarHBondContact CD2-SD 3.26Å; L446-M450 HydrophobicContact CG-SD 4Å; L446-M450 WeakPolarHBondContact O-CB 3.42Å; L446-M450 VanDerWaalsContact O-CG 3.29Å; L446-M450 WeakPolarHBondContact O-CG 3.47Å; L446-M450 PolarHBondContact O-N 2.86Å; I447-M450 PolarHBondContact O-N 2.86Å; M450-S454 WeakPolarHBondContact O-CB 3.46Å; M450-S454 PolarHBondContact O-N 2.99Å; M450-F786 HydrophobicContact CE-CB 4.17Å; M450-F786 HydrophobicContact CE-CD2 3.79Å; M450-F786 HydrophobicContact CE-CG 4.47Å; M450-F786 HydrophobicContact SD-CD2 4.04Å
451	G	95.3	Very high	92.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-46.5	176.1	0	0	0	0	0	112.4	I447 L448 L449 S454 I455	I447-G451 PolarHBondContact O-N 3.17Å; L448-G451 PolarHBondContact O-N 2.88Å; L449-G451 VanDerWaalsContact C-N 3.33Å; L449-G451 PolarHBondContact O-N 2.86Å; G451-S454 PolarHBondContact O-N 2.92Å; G451-I455 WeakPolarHBondContact O-CG1 3.44Å; G451-I455 PolarHBondContact O-N 3.25Å
452	L	95.8	Very high	92.6	Very high	93 Å²	93	30.9 Å²	30.9	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-63.7	-43.7	178.9	-70.4	174	0	0	0	112.8	L448 L449 I455 Y456	L448-L452 HydrophobicContact CG-CD1 4.41Å; L448-L452 WeakPolarHBondContact O-CG 3.09Å; L448-L452 PolarHBondContact O-N 3.4Å; L449-L452 PolarHBondContact O-N 3.04Å; L452-I455 PolarHBondContact O-N 3.47Å; L452-Y456 PolarHBondContact O-N 3.46Å
453	F	96.3	Very high	92.9	Very high	48 Å²	48	29.4 Å²	29.4	21%	0.211	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-35.1	175.7	-78.2	-65.9	0	0	0	112.1	I394 P397 F398 A401 L449 I455 Y456 T457	I394-F453 HydrophobicContact CD1-CE2 4.49Å; I394-F453 HydrophobicContact CD1-CZ 4.37Å; I394-F453 HydrophobicContact CG2-CZ 4.13Å; P397-F453 HydrophobicContact CB-CD2 3.48Å; P397-F453 VanDerWaalsContact CB-CD2 3.48Å; P397-F453 HydrophobicContact CB-CE2 4Å; P397-F453 HydrophobicContact CB-CG 4.43Å; F398-F453 HydrophobicContact CD2-CD1 4.49Å; A401-F453 HydrophobicContact CB-CB 3.56Å; A401-F453 WeakPolarHBondContact CB-O 3.26Å; L449-F453 HydrophobicContact CB-CD2 4.49Å; L449-F453 HydrophobicContact CD2-CE2 4.3Å; L449-F453 VanDerWaalsContact O-CD2 3.23Å; L449-F453 WeakPolarHBondContact O-CD2 3.34Å; L449-F453 PolarHBondContact O-N 2.94Å; F453-I455 VanDerWaalsContact C-N 3.32Å; F453-I455 PolarHBondContact O-N 3Å; F453-Y456 WeakPolarHBondContact O-CB 3.04Å; F453-Y456 PolarHBondContact O-N 3.3Å; F453-Y456 VanDerWaalsContact O-N 3.13Å; F453-T457 PolarHBondContact O-N 3.28Å; F453-T457 PolarHBondContact O-OG1 2.97Å
454	S	95.6	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-37.5	174.7	177.3	0	0	0	0	112.2	F404 D406 M450 G451 T457 G458	F404-S454 WeakPolarHBondContact O-CB 3.39Å; F404-S454 PolarHBondContact O-OG 3.4Å; D406-S454 PolarHBondContact O-OG 3.31Å; M450-S454 WeakPolarHBondContact O-CB 3.46Å; M450-S454 PolarHBondContact O-N 2.99Å; G451-S454 PolarHBondContact O-N 2.92Å; S454-T457 PolarHBondContact O-OG1 3.47Å; S454-G458 WeakPolarHBondContact O-CA 3.18Å; S454-G458 PolarHBondContact O-N 3.01Å
455	I	95.4	Very high	93	Very high	47 Å²	47	32.1 Å²	32.1	24%	0.241	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-45.3	171.2	-66	164.5	0	0	0	110.5	L411 G451 L452 F453 A459	L411-I455 HydrophobicContact CD1-CD1 4.44Å; G451-I455 WeakPolarHBondContact O-CG1 3.44Å; G451-I455 PolarHBondContact O-N 3.25Å; L452-I455 PolarHBondContact O-N 3.47Å; F453-I455 VanDerWaalsContact C-N 3.32Å; F453-I455 PolarHBondContact O-N 3Å; I455-A459 VanDerWaalsContact O-CB 3.31Å; I455-A459 WeakPolarHBondContact O-CB 3.42Å; I455-A459 PolarHBondContact O-N 3.05Å
456	Y	94.7	Very high	92.7	Very high	121 Å²	121	30.6 Å²	30.6	48%	0.475	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-49.3	179.3	170.9	-103.8	0	0	0	112.5	L452 F453 A459 I460	L452-Y456 PolarHBondContact O-N 3.46Å; F453-Y456 WeakPolarHBondContact O-CB 3.04Å; F453-Y456 PolarHBondContact O-N 3.3Å; F453-Y456 VanDerWaalsContact O-N 3.13Å; Y456-A459 PolarHBondContact O-N 2.92Å; Y456-I460 HydrophobicContact CD1-CD1 4.07Å; Y456-I460 HydrophobicContact CE1-CD1 3.46Å; Y456-I460 VanDerWaalsContact CE1-CD1 3.46Å; Y456-I460 HydrophobicContact CE2-CD1 4.09Å; Y456-I460 VanDerWaalsContact CZ-CD1 3.48Å; Y456-I460 PolarHBondContact O-N 3.45Å; Y456-I460 VanDerWaalsContact O-N 3.08Å
457	T	92.9	Very high	92.4	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-70.2	-36.4	179.1	56.2	0	0	0	0	112.1	A401 V402 F453 S454 A459 I460 Y461	A401-T457 VanDerWaalsContact C-OG1 3.32Å; A401-T457 HydrophobicContact CB-CG2 3.67Å; A401-T457 WeakPolarHBondContact CB-OG1 3.3Å; A401-T457 WeakPolarHBondContact O-CB 3.48Å; A401-T457 PolarHBondContact O-OG1 2.97Å; V402-T457 HydrophobicContact CG2-CG2 4.41Å; F453-T457 PolarHBondContact O-N 3.28Å; F453-T457 PolarHBondContact O-OG1 2.97Å; S454-T457 PolarHBondContact O-OG1 3.47Å; T457-A459 VanDerWaalsContact C-N 3.26Å; T457-A459 PolarHBondContact O-N 2.91Å; T457-I460 WeakPolarHBondContact O-CB 3.46Å; T457-I460 PolarHBondContact O-N 3.31Å; T457-I460 VanDerWaalsContact O-N 3.15Å; T457-Y461 PolarHBondContact O-N 3.06Å
458	G	92.8	Very high	91.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-37.9	172	0	0	0	0	0	111.9	S454 Y461 N462 E463	S454-G458 WeakPolarHBondContact O-CA 3.18Å; S454-G458 PolarHBondContact O-N 3.01Å; G458-Y461 PolarHBondContact O-N 3.13Å; G458-N462 WeakPolarHBondContact O-CA 3.35Å; G458-N462 PolarHBondContact O-N 3.19Å; G458-E463 PolarHBondContact O-N 3.03Å; G458-E463 VanDerWaalsContact O-N 3.08Å
459	A	91.8	Very high	91.2	Very high	29 Å²	29	37.9 Å²	37.9	24%	0.24	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-34.3	175.3	0	0	0	0	0	112.2	V407 I455 Y456 T457 N462 F514	V407-A459 HydrophobicContact CG2-CB 4.17Å; I455-A459 VanDerWaalsContact O-CB 3.31Å; I455-A459 WeakPolarHBondContact O-CB 3.42Å; I455-A459 PolarHBondContact O-N 3.05Å; Y456-A459 PolarHBondContact O-N 2.92Å; T457-A459 VanDerWaalsContact C-N 3.26Å; T457-A459 PolarHBondContact O-N 2.91Å; A459-N462 PolarHBondContact O-N 2.94Å; A459-F514 HydrophobicContact CB-CE1 3.79Å; A459-F514 HydrophobicContact CB-CZ 4.06Å
460	I	92.5	Very high	90.6	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.19	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-45.5	171.4	-69.3	171.4	0	0	0	111.1	Y456 T457 N462 F514 G515 I516	Y456-I460 HydrophobicContact CD1-CD1 4.07Å; Y456-I460 HydrophobicContact CE1-CD1 3.46Å; Y456-I460 VanDerWaalsContact CE1-CD1 3.46Å; Y456-I460 HydrophobicContact CE2-CD1 4.09Å; Y456-I460 VanDerWaalsContact CZ-CD1 3.48Å; Y456-I460 PolarHBondContact O-N 3.45Å; Y456-I460 VanDerWaalsContact O-N 3.08Å; T457-I460 WeakPolarHBondContact O-CB 3.46Å; T457-I460 PolarHBondContact O-N 3.31Å; T457-I460 VanDerWaalsContact O-N 3.15Å; I460-N462 PolarHBondContact O-N 3.06Å; I460-F514 HydrophobicContact CG1-CZ 4.38Å; I460-G515 CarbonylContact O-C 3.42Å; I460-G515 WeakPolarHBondContact O-CA 3.34Å; I460-I516 PolarHBondContact O-N 2.92Å
461	Y	91.3	Very high	89.8	Confident	8 Å²	8	48.5 Å²	48.5	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-16.6	175.5	-64.6	-25.7	0	0	0	112.9	V402 T457 G458 E463 I516 Y533 M537 S732	V402-Y461 PolarHBondContact O-OH 3.28Å; T457-Y461 PolarHBondContact O-N 3.06Å; G458-Y461 PolarHBondContact O-N 3.13Å; Y461-E463 VanDerWaalsContact C-N 3.35Å; Y461-I516 HydrophobicContact CD1-CD1 4.48Å; Y461-Y533 HydrophobicContact CD1-CE1 4.4Å; Y461-Y533 HydrophobicContact CE1-CE1 4.17Å; Y461-M537 HydrophobicContact CE1-CE 4.13Å; Y461-M537 VanDerWaalsContact OH-CE 3.27Å; Y461-M537 WeakPolarHBondContact OH-CE 3.27Å; Y461-S732 WeakPolarHBondContact CE2-OG 3.36Å
462	N	90.9	Very high	89.3	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.08	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	49.1	-174	-164.5	11.9	0	0	0	111.6	G458 A459 I460 G468 M469 I516 P518	G458-N462 WeakPolarHBondContact O-CA 3.35Å; G458-N462 PolarHBondContact O-N 3.19Å; A459-N462 PolarHBondContact O-N 2.94Å; I460-N462 PolarHBondContact O-N 3.06Å; N462-G468 VanDerWaalsContact O-CA 3.28Å; N462-G468 WeakPolarHBondContact O-CA 3.49Å; N462-M469 PolarHBondContact ND2-O 3.06Å; N462-M469 PolarHBondContact OD1-N 3.24Å; N462-M469 PolarHBondContact OD1-O 3.12Å; N462-I516 HydrophobicContact CB-CB 4.49Å; N462-I516 WeakPolarHBondContact CB-O 3.21Å; N462-I516 PolarHBondContact ND2-O 3.33Å; N462-P518 WeakPolarHBondContact ND2-CG 3.24Å
463	E	88.3	Confident	88.7	Confident	13 Å²	13	56.4 Å²	56.4	6%	0.061	28%	0.283	C	S	.	.			trans	-124.3	119.8	177.8	-65	-172	137.6	0	0	109.7	V407 G458 Y461 K526 K534 A736	V407-E463 PolarHBondContact N-O 3.3Å; G458-E463 PolarHBondContact O-N 3.03Å; G458-E463 VanDerWaalsContact O-N 3.08Å; Y461-E463 VanDerWaalsContact C-N 3.35Å; E463-K526 IonicContact OE1-NZ 3.56Å; E463-K526 PolarHBondContact OE1-NZ 3.21Å; E463-K534 IonicContact OE2-NZ 3.61Å; E463-A736 WeakPolarHBondContact OE2-CB 3.06Å
464	C	90.9	Very high	88.1	Confident	34 Å²	34	55.5 Å²	55.5	23%	0.23	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-129.7	107.7	173.6	-178.6	0	0	0	0	108.3	D406 V407 S466 R467 M469	D406-C464 WeakPolarHBondContact OD1-CA 3.27Å; V407-C464 HydrophobicContact CB-CB 4.09Å; C464-S466 VanDerWaalsContact C-N 3.25Å; C464-S466 PolarHBondContact O-N 3.4Å; C464-R467 PolarHBondContact N-O 2.91Å; C464-R467 PolarHBondContact O-N 3.21Å; C464-M469 HydrophobicContact CB-CG 4.19Å; C464-M469 HydrophobicContact CB-SD 4.24Å
465	F	87.9	Confident	87.5	Confident	60 Å²	60	55.8 Å²	55.8	26%	0.263	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	48.2	-172.4	-62.7	-67.7	0	0	0	112.4	D406 G408 H409 L412 R467 W743 T773	D406-F465 PolarHBondContact OD1-N 2.91Å; D406-F465 PolarHBondContact OD2-N 3.45Å; G408-F465 VanDerWaalsContact CA-CE2 3.49Å; H409-F465 AromaticContact CD2-CD1 4Å; H409-F465 AromaticContact CD2-CE1 3.65Å; H409-F465 AromaticContact NE2-CD1 3.71Å; H409-F465 AromaticContact NE2-CE1 3.81Å; L412-F465 HydrophobicContact CD1-CE1 4.3Å; L412-F465 HydrophobicContact CD1-CZ 4.1Å; F465-R467 VanDerWaalsContact C-N 3.28Å; F465-R467 PolarHBondContact O-N 2.94Å; F465-W743 HydrophobicContact CB-CE3 4.32Å; F465-W743 HydrophobicContact CB-CZ3 4.27Å; F465-T773 HydrophobicContact CE1-CG2 4.35Å
466	S	84.4	Confident	87.1	Confident	13 Å²	13	55.5 Å²	55.5	9%	0.091	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	1.8	-174.7	79.2	0	0	0	0	117.9	C464 E740 W743	C464-S466 VanDerWaalsContact C-N 3.25Å; C464-S466 PolarHBondContact O-N 3.4Å; S466-E740 VanDerWaalsContact CB-CA 3.49Å; S466-W743 VanDerWaalsContact OG-CB 3.3Å; S466-W743 WeakPolarHBondContact OG-CB 3.48Å
467	R	85.6	Confident	86.7	Confident	106 Å²	106	53.5 Å²	53.5	40%	0.4	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-111.6	143.9	179.6	-62.6	-59.7	-175.1	167.3	0.6	112.2	C464 F465	C464-R467 PolarHBondContact N-O 2.91Å; C464-R467 PolarHBondContact O-N 3.21Å; F465-R467 VanDerWaalsContact C-N 3.28Å; F465-R467 PolarHBondContact O-N 2.94Å
468	G	81.9	Confident	86.2	Confident	39 Å²	39	56.3 Å²	56.3	40%	0.402	29%	0.293	S	S	.	.			trans	-82	139.4	176	0	0	0	0	0	112.8	N462	N462-G468 VanDerWaalsContact O-CA 3.28Å; N462-G468 WeakPolarHBondContact O-CA 3.49Å
469	M	80.9	Confident	85.6	Confident	90 Å²	90	58 Å²	58	44%	0.443	31%	0.311	S	S	.	.			trans	-88.6	131.2	174.1	-62.1	179.5	65.4	0	0	110	N462 C464 T471 P518	N462-M469 PolarHBondContact ND2-O 3.06Å; N462-M469 PolarHBondContact OD1-N 3.24Å; N462-M469 PolarHBondContact OD1-O 3.12Å; C464-M469 HydrophobicContact CB-CG 4.19Å; C464-M469 HydrophobicContact CB-SD 4.24Å; M469-T471 HydrophobicContact CB-CG2 4.27Å; M469-T471 PolarHBondContact O-N 3.13Å; M469-P518 WeakPolarHBondContact O-CG 3.32Å
470	K	82.7	Confident	85.2	Confident	181 Å²	181	57.9 Å²	57.9	79%	0.787	31%	0.307	S	S	*	.			trans	-89.4	79.3	174.3	-65.5	-178.1	-179.4	-179.4	0	109.9	P518	K470-P518 HydrophobicContact CG-CB 4.2Å; K470-P518 HydrophobicContact CG-CG 4.31Å
471	T	78.3	Confident	84.6	Confident	79 Å²	79	56.1 Å²	56.1	49%	0.485	30%	0.299	S	S	.	.			trans	-83.4	-36.6	179.9	49.9	0	0	0	0	112.8	M469 Y512	M469-T471 HydrophobicContact CB-CG2 4.27Å; M469-T471 PolarHBondContact O-N 3.13Å; T471-Y512 PolarHBondContact N-OH 3.05Å; T471-Y512 PolarHBondContact OG1-OH 2.99Å
472	F	84.5	Confident	84.1	Confident	107 Å²	107	60.3 Å²	60.3	47%	0.469	32%	0.317	S	S	.	.	S	Bend	trans	-126.6	170.2	177.8	-57.7	-79.2	0	0	0	110.8	Y512 P513 F514	F472-Y512 HydrophobicContact CB-CD2 4.42Å; F472-Y512 HydrophobicContact CB-CE2 3.6Å; F472-Y512 HydrophobicContact CD2-CE1 4.12Å; F472-Y512 AromaticContact CD2-CZ 3.89Å; F472-Y512 PolarHBondContact N-OH 3.17Å; F472-P513 HydrophobicContact CG-CG 4.45Å; F472-F514 HydrophobicContact CE2-CB 3.92Å
473	N	82.8	Confident	83.7	Confident	151 Å²	151	66.1 Å²	66.1	81%	0.807	35%	0.348	S	S	*	.			trans	-66.4	134.2	172.4	-68.5	-26.3	0	0	0	110
474	S	84.9	Confident	83.3	Confident	30 Å²	30	70.1 Å²	70.1	21%	0.21	37%	0.365	C	S	.	.			trans	-59.2	140	174.7	159.2	0	0	0	0	110.7	W476 H477 D517 V519	S474-W476 PolarHBondContact O-N 2.83Å; S474-W476 PolarHBondContact OG-N 3.3Å; S474-W476 PolarHBondContact OG-O 3.41Å; S474-H477 PolarHBondContact O-CE1 3.12Å; S474-D517 PolarHBondContact OG-OD1 3.21Å; S474-D517 PolarHBondContact OG-OD2 3.38Å; S474-V519 WeakPolarHBondContact OG-CG2 3.3Å
475	G	83.1	Confident	82.7	Confident	5 Å²	5	74 Å²	74	5%	0.052	38%	0.384	C	S	.	.	S	Bend	trans	-77.4	-10.3	173.4	0	0	0	0	0	113.2	T509 S510 D517	G475-T509 PolarHBondContact O-N 3.5Å; G475-T509 VanDerWaalsContact O-N 3.12Å; G475-T509 PolarHBondContact O-OG1 2.9Å; G475-S510 WeakPolarHBondContact CA-O 3.48Å; G475-D517 PolarHBondContact N-OD2 2.87Å
476	W	86.5	Confident	82.3	Confident	41 Å²	41	74.6 Å²	74.6	16%	0.155	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-97.1	128.2	173.9	-66.7	85.5	0	0	0	111.4	S474 M500 P502 V507 F508 V519 W520	S474-W476 PolarHBondContact O-N 2.83Å; S474-W476 PolarHBondContact OG-N 3.3Å; S474-W476 PolarHBondContact OG-O 3.41Å; W476-M500 HydrophobicContact CE3-CB 4.4Å; W476-M500 HydrophobicContact CE3-CE 4.27Å; W476-M500 HydrophobicContact CE3-SD 4.49Å; W476-M500 HydrophobicContact CZ3-CB 4.25Å; W476-P502 HydrophobicContact CH2-CB 3.88Å; W476-P502 HydrophobicContact CZ3-CB 4.16Å; W476-V507 WeakPolarHBondContact CA-O 3.32Å; W476-V507 HydrophobicContact CE3-CG1 4Å; W476-V507 HydrophobicContact CZ3-CG1 4.11Å; W476-F508 HydrophobicContact CD2-CD2 4.22Å; W476-F508 AromaticContact CE2-CD2 3.77Å; W476-F508 HydrophobicContact CE3-CB 4.5Å; W476-F508 AromaticContact CZ2-CD2 4Å; W476-F508 HydrophobicContact CZ2-CD2 4Å; W476-F508 HydrophobicContact CZ3-CB 4.42Å; W476-F508 AromaticContact NE1-CD2 3.88Å; W476-V519 HydrophobicContact CB-CG1 4.32Å; W476-V519 HydrophobicContact CB-CG2 4.28Å; W476-W520 HydrophobicContact CZ2-CZ2 4.08Å
477	H	85.5	Confident	82.2	Confident	79 Å²	79	75.5 Å²	75.5	37%	0.366	39%	0.39	S	S	.	.			trans	-124.9	134.4	177.4	-59.2	-52.1	0	0	0	111.7	S474 V507	S474-H477 PolarHBondContact O-CE1 3.12Å; H477-V507 PolarHBondContact N-O 2.98Å
478	V	83.4	Confident	82.2	Confident	65 Å²	65	72.8 Å²	72.8	39%	0.394	38%	0.384	S	S	.	.	S	Bend	trans	-86.9	-28.3	-179.1	172.8	0	0	0	0	112.4	M481 F482 W487 M500	V478-M481 WeakPolarHBondContact O-CB 3.36Å; V478-M481 PolarHBondContact O-N 3.25Å; V478-M481 VanDerWaalsContact O-N 3.07Å; V478-F482 HydrophobicContact CG1-CD2 3.88Å; V478-F482 HydrophobicContact CG1-CE2 3.5Å; V478-W487 HydrophobicContact CB-CZ3 4.46Å; V478-W487 HydrophobicContact CG1-CE3 3.92Å; V478-W487 HydrophobicContact CG1-CH2 4.25Å; V478-W487 HydrophobicContact CG1-CZ3 3.37Å; V478-W487 HydrophobicContact CG2-CZ3 4.45Å; V478-M500 HydrophobicContact CG2-SD 4.06Å
479	G	80.6	Confident	82.1	Confident	36 Å²	36	75.4 Å²	75.4	37%	0.371	40%	0.396	S	S	.	.	H	α-helix	trans	-49.5	-49.2	-176.1	0	0	0	0	0	114.6	M481 F482 D483	G479-M481 PolarHBondContact O-N 2.99Å; G479-F482 WeakPolarHBondContact O-CB 3.42Å; G479-F482 PolarHBondContact O-N 3.4Å; G479-D483 PolarHBondContact O-N 2.96Å
480	P	81.9	Confident	82.2	Confident	26 Å²	26	75.1 Å²	75.1	17%	0.169	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-19	-178.6	-28.8	39.1	0	0	0	115.4	K484 V507	P480-K484 WeakPolarHBondContact O-CB 3.45Å; P480-K484 PolarHBondContact O-N 3.48Å; P480-V507 HydrophobicContact CB-CG2 4.03Å
481	M	80.6	Confident	82.1	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-74.1	-34.1	173.5	-68.7	-56.6	-161.6	0	0	113	V478 G479 I486 W487 M500 D501 V504 V507	V478-M481 WeakPolarHBondContact O-CB 3.36Å; V478-M481 PolarHBondContact O-N 3.25Å; V478-M481 VanDerWaalsContact O-N 3.07Å; G479-M481 PolarHBondContact O-N 2.99Å; M481-I486 PolarHBondContact O-N 3.23Å; M481-I486 VanDerWaalsContact O-N 3.16Å; M481-I486 HydrophobicContact SD-CD1 4.05Å; M481-W487 HydrophobicContact CB-CB 4.4Å; M481-W487 HydrophobicContact CB-CD2 3.7Å; M481-W487 HydrophobicContact CB-CE3 4.01Å; M481-W487 HydrophobicContact CB-CG 3.91Å; M481-W487 HydrophobicContact CG-CD2 4.25Å; M481-W487 HydrophobicContact CG-CZ2 4.24Å; M481-W487 PolarHBondContact O-N 3.33Å; M481-M500 HydrophobicContact CE-CB 4.3Å; M481-D501 HydrophobicContact CE-CB 3.84Å; M481-D501 WeakPolarHBondContact CE-O 3.34Å; M481-V504 HydrophobicContact CE-CB 4.31Å; M481-V504 HydrophobicContact CE-CG2 4.2Å; M481-V504 HydrophobicContact SD-CB 4.25Å; M481-V504 HydrophobicContact SD-CG1 4.18Å; M481-V504 HydrophobicContact SD-CG2 4.17Å; M481-V507 HydrophobicContact CE-CB 4.31Å; M481-V507 HydrophobicContact CE-CG1 3.87Å; M481-V507 HydrophobicContact CE-CG2 3.61Å; M481-V507 HydrophobicContact CG-CG2 3.9Å; M481-V507 HydrophobicContact SD-CG2 3.74Å
482	F	80.9	Confident	82.4	Confident	96 Å²	96	69.7 Å²	69.7	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-77.1	-41	173.2	-71.6	-75.7	0	0	0	110.6	V478 G479 K484 N485 W487	V478-F482 HydrophobicContact CG1-CD2 3.88Å; V478-F482 HydrophobicContact CG1-CE2 3.5Å; G479-F482 WeakPolarHBondContact O-CB 3.42Å; G479-F482 PolarHBondContact O-N 3.4Å; F482-K484 VanDerWaalsContact C-N 3.26Å; F482-K484 PolarHBondContact O-N 2.98Å; F482-N485 PolarHBondContact O-N 3.06Å; F482-W487 HydrophobicContact CD1-CB 4.04Å; F482-W487 VanDerWaalsContact CD1-O 3.25Å; F482-W487 WeakPolarHBondContact CD1-O 3.41Å; F482-W487 HydrophobicContact CD2-CE3 4.33Å; F482-W487 HydrophobicContact CE1-CB 3.92Å; F482-W487 AromaticContact CE2-CE3 3.71Å; F482-W487 HydrophobicContact CE2-CE3 3.71Å; F482-W487 HydrophobicContact CE2-CZ3 4.29Å; F482-W487 HydrophobicContact CZ-CB 4.32Å; F482-W487 AromaticContact CZ-CE3 3.84Å; F482-W487 HydrophobicContact CZ-CE3 3.84Å
483	D	81.8	Confident	82.3	Confident	137 Å²	137	75.6 Å²	75.6	73%	0.733	40%	0.4	S	S	*	.	H	α-helix	trans	-62.5	-33.7	-179.6	-61.8	-26.8	0	0	0	112.6	G479 N485	G479-D483 PolarHBondContact O-N 2.96Å; D483-N485 VanDerWaalsContact C-N 3.34Å
484	K	79.4	Confident	82.4	Confident	97 Å²	97	71.2 Å²	71.2	42%	0.422	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	8.4	176.3	-68.4	-177	179.9	-174.5	0	114.3	P480 F482 I486 V504 T505	P480-K484 WeakPolarHBondContact O-CB 3.45Å; P480-K484 PolarHBondContact O-N 3.48Å; F482-K484 VanDerWaalsContact C-N 3.26Å; F482-K484 PolarHBondContact O-N 2.98Å; K484-I486 HydrophobicContact CB-CD1 4.22Å; K484-I486 HydrophobicContact CB-CG1 4.19Å; K484-I486 PolarHBondContact O-N 3.09Å; K484-I486 VanDerWaalsContact O-N 3.14Å; K484-V504 HydrophobicContact CD-CG1 3.47Å; K484-V504 VanDerWaalsContact CD-CG1 3.47Å; K484-T505 WeakPolarHBondContact CE-OG1 3.48Å; K484-T505 PolarHBondContact NZ-OG1 2.88Å
485	N	78.8	Confident	82.4	Confident	116 Å²	116	74.2 Å²	74.2	62%	0.62	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	29	175.5	-145	39.1	0	0	0	113.7	F482 D483 N488	F482-N485 PolarHBondContact O-N 3.06Å; D483-N485 VanDerWaalsContact C-N 3.34Å; N485-N488 VanDerWaalsContact C-OD1 3.23Å; N485-N488 WeakPolarHBondContact CA-OD1 3.33Å; N485-N488 VanDerWaalsContact CG-OD1 3.25Å; N485-N488 PolarHBondContact O-ND2 2.98Å; N485-N488 PolarHBondContact O-OD1 3.35Å; N485-N488 PolarHBondContact OD1-OD1 3.4Å
486	I	79.8	Confident	82.2	Confident	72 Å²	72	82.1 Å²	82.1	37%	0.369	44%	0.439	S	S	.	.	S	Bend	trans	-81	-40.7	173.4	-58.1	173.3	0	0	0	108.6	M481 K484 V504	M481-I486 PolarHBondContact O-N 3.23Å; M481-I486 VanDerWaalsContact O-N 3.16Å; M481-I486 HydrophobicContact SD-CD1 4.05Å; K484-I486 HydrophobicContact CB-CD1 4.22Å; K484-I486 HydrophobicContact CB-CG1 4.19Å; K484-I486 PolarHBondContact O-N 3.09Å; K484-I486 VanDerWaalsContact O-N 3.14Å; I486-V504 HydrophobicContact CD1-CG1 4.16Å; I486-V504 HydrophobicContact CD1-CG2 3.72Å
487	W	83.4	Confident	82	Confident	31 Å²	31	86.5 Å²	86.5	12%	0.117	46%	0.46	C	S	.	.	S	Bend	trans	-99.8	106.2	172.7	-69.1	3.7	0	0	0	110	V478 M481 F482 L498 S499 M500	V478-W487 HydrophobicContact CB-CZ3 4.46Å; V478-W487 HydrophobicContact CG1-CE3 3.92Å; V478-W487 HydrophobicContact CG1-CH2 4.25Å; V478-W487 HydrophobicContact CG1-CZ3 3.37Å; V478-W487 HydrophobicContact CG2-CZ3 4.45Å; M481-W487 HydrophobicContact CB-CB 4.4Å; M481-W487 HydrophobicContact CB-CD2 3.7Å; M481-W487 HydrophobicContact CB-CE3 4.01Å; M481-W487 HydrophobicContact CB-CG 3.91Å; M481-W487 HydrophobicContact CG-CD2 4.25Å; M481-W487 HydrophobicContact CG-CZ2 4.24Å; M481-W487 PolarHBondContact O-N 3.33Å; F482-W487 HydrophobicContact CD1-CB 4.04Å; F482-W487 VanDerWaalsContact CD1-O 3.25Å; F482-W487 WeakPolarHBondContact CD1-O 3.41Å; F482-W487 HydrophobicContact CD2-CE3 4.33Å; F482-W487 HydrophobicContact CE1-CB 3.92Å; F482-W487 AromaticContact CE2-CE3 3.71Å; F482-W487 HydrophobicContact CE2-CE3 3.71Å; F482-W487 HydrophobicContact CE2-CZ3 4.29Å; F482-W487 HydrophobicContact CZ-CB 4.32Å; F482-W487 AromaticContact CZ-CE3 3.84Å; F482-W487 HydrophobicContact CZ-CE3 3.84Å; W487-L498 HydrophobicContact CD2-CD1 4.34Å; W487-L498 HydrophobicContact CE3-CD1 4.23Å; W487-L498 HydrophobicContact CH2-CB 4.18Å; W487-L498 HydrophobicContact CH2-CD1 4.48Å; W487-L498 HydrophobicContact CZ2-CB 3.86Å; W487-L498 HydrophobicContact CZ3-CD1 4.26Å; W487-S499 WeakPolarHBondContact CZ2-O 3.38Å; W487-M500 HydrophobicContact CH2-CG 3.63Å; W487-M500 HydrophobicContact CH2-SD 4.42Å; W487-M500 HydrophobicContact CZ2-CG 3.7Å
488	N	84.6	Confident	82	Confident	49 Å²	49	86 Å²	86	26%	0.262	46%	0.459	S	S	.	.			trans	-108.1	161.9	179.1	-63.8	-6.2	0	0	0	111	N485 S490 V491 L492	N485-N488 VanDerWaalsContact C-OD1 3.23Å; N485-N488 WeakPolarHBondContact CA-OD1 3.33Å; N485-N488 VanDerWaalsContact CG-OD1 3.25Å; N485-N488 PolarHBondContact O-ND2 2.98Å; N485-N488 PolarHBondContact O-OD1 3.35Å; N485-N488 PolarHBondContact OD1-OD1 3.4Å; N488-S490 PolarHBondContact O-N 3.43Å; N488-V491 HydrophobicContact CB-CG2 4.4Å; N488-V491 PolarHBondContact O-N 2.91Å; N488-L492 PolarHBondContact O-N 3.43Å
489	S	80.3	Confident	82	Confident	94 Å²	94	87 Å²	87	66%	0.657	47%	0.47	S	S	*	.	H	α-helix	trans	-55.3	-27.5	177.5	-32.1	0	0	0	0	113.2	R493	S489-R493 WeakPolarHBondContact O-CG 3.25Å; S489-R493 PolarHBondContact O-N 2.97Å
490	S	82	Confident	82.1	Confident	84 Å²	84	88 Å²	88	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-72.8	-42.9	173.6	51.9	0	0	0	0	112.7	N488 R493 G494	N488-S490 PolarHBondContact O-N 3.43Å; S490-R493 PolarHBondContact O-N 3.29Å; S490-G494 PolarHBondContact O-N 2.88Å
491	V	82.1	Confident	82	Confident	45 Å²	45	90.4 Å²	90.4	27%	0.273	48%	0.477	S	S	.	.	H	α-helix	trans	-66.8	-40.8	179	-178.7	0	0	0	0	110.5	N488 R493 G494 N495 L498	N488-V491 HydrophobicContact CB-CG2 4.4Å; N488-V491 PolarHBondContact O-N 2.91Å; V491-R493 VanDerWaalsContact C-N 3.28Å; V491-R493 PolarHBondContact O-N 3.34Å; V491-G494 PolarHBondContact O-N 3.4Å; V491-N495 WeakPolarHBondContact O-CB 3.48Å; V491-N495 PolarHBondContact O-N 3.49Å; V491-L498 HydrophobicContact CG1-CD2 3.89Å
492	L	83.9	Confident	82.1	Confident	102 Å²	102	92.9 Å²	92.9	53%	0.534	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-32	177.2	-171.5	66.1	0	0	0	112.7	N488 L498	N488-L492 PolarHBondContact O-N 3.43Å; L492-L498 HydrophobicContact CD1-CD1 3.82Å
493	R	82.5	Confident	82.2	Confident	230 Å²	230	93.8 Å²	93.8	87%	0.868	50%	0.502	S	S	*	.	H	α-helix	trans	-80.9	-29.9	175.6	-72.9	-179.9	-176.1	-176.6	2.4	112.9	S489 S490 V491	S489-R493 WeakPolarHBondContact O-CG 3.25Å; S489-R493 PolarHBondContact O-N 2.97Å; S490-R493 PolarHBondContact O-N 3.29Å; V491-R493 VanDerWaalsContact C-N 3.28Å; V491-R493 PolarHBondContact O-N 3.34Å
494	G	84.6	Confident	82.1	Confident	59 Å²	59	88.1 Å²	88.1	61%	0.608	47%	0.473	S	S	*	.	H	α-helix	trans	-85.9	-30.5	-176.7	0	0	0	0	0	114.7	S490 V491	S490-G494 PolarHBondContact O-N 2.88Å; V491-G494 PolarHBondContact O-N 3.4Å
495	N	84.1	Confident	82.1	Confident	93 Å²	93	88.5 Å²	88.5	50%	0.497	48%	0.483	S	S	.	.			trans	-115.7	126.3	-172.1	-67.5	-12	0	0	0	112.2	V491 F497 L498	V491-N495 WeakPolarHBondContact O-CB 3.48Å; V491-N495 PolarHBondContact O-N 3.49Å; N495-F497 VanDerWaalsContact C-N 3.35Å; N495-L498 HydrophobicContact CB-CD2 4.29Å
496	Q	80.4	Confident	81.9	Confident	171 Å²	171	84.4 Å²	84.4	80%	0.799	47%	0.468	S	S	*	.	S	Bend	trans	-73.7	-26.6	174.8	-172.6	174.5	5.5	0	0	112.9
497	F	81.7	Confident	82	Confident	134 Å²	134	81 Å²	81	59%	0.588	45%	0.45	S	S	*	.	S	Bend	trans	-126.4	137	179.4	-56.6	-59.8	0	0	0	110.3	N495 N524	N495-F497 VanDerWaalsContact C-N 3.35Å; F497-N524 WeakPolarHBondContact CD1-ND2 3.4Å; F497-N524 WeakPolarHBondContact CE1-ND2 3.5Å
498	L	84.1	Confident	82.1	Confident	67 Å²	67	83.2 Å²	83.2	35%	0.351	46%	0.461	S	S	.	.			trans	-119.8	137	-179.5	-64.7	169.2	0	0	0	109.6	W487 V491 L492 N495	W487-L498 HydrophobicContact CD2-CD1 4.34Å; W487-L498 HydrophobicContact CE3-CD1 4.23Å; W487-L498 HydrophobicContact CH2-CB 4.18Å; W487-L498 HydrophobicContact CH2-CD1 4.48Å; W487-L498 HydrophobicContact CZ2-CB 3.86Å; W487-L498 HydrophobicContact CZ3-CD1 4.26Å; V491-L498 HydrophobicContact CG1-CD2 3.89Å; L492-L498 HydrophobicContact CD1-CD1 3.82Å; N495-L498 HydrophobicContact CB-CD2 4.29Å
499	S	83.6	Confident	81.9	Confident	87 Å²	87	84.9 Å²	84.9	61%	0.608	47%	0.473	S	S	*	.			trans	-97.9	134.9	173.1	54.2	0	0	0	0	110.5	W487	W487-S499 WeakPolarHBondContact CZ2-O 3.38Å
500	M	82.5	Confident	82.1	Confident	57 Å²	57	83.5 Å²	83.5	28%	0.281	46%	0.463	S	S	.	.			trans	-93.5	115.2	171	-67.3	-178.2	-67.2	0	0	109.2	W476 V478 M481 W487 P502 V507 V519	W476-M500 HydrophobicContact CE3-CB 4.4Å; W476-M500 HydrophobicContact CE3-CE 4.27Å; W476-M500 HydrophobicContact CE3-SD 4.49Å; W476-M500 HydrophobicContact CZ3-CB 4.25Å; V478-M500 HydrophobicContact CG2-SD 4.06Å; M481-M500 HydrophobicContact CE-CB 4.3Å; W487-M500 HydrophobicContact CH2-CG 3.63Å; W487-M500 HydrophobicContact CH2-SD 4.42Å; W487-M500 HydrophobicContact CZ2-CG 3.7Å; M500-P502 VanDerWaalsContact O-CD 3.31Å; M500-P502 WeakPolarHBondContact O-CD 3.46Å; M500-V507 HydrophobicContact CB-CG1 4.22Å; M500-V519 HydrophobicContact CE-CG1 3.99Å
501	D	81.2	Confident	82.2	Confident	77 Å²	77	83.9 Å²	83.9	41%	0.412	46%	0.464	S	S	.	.			trans	-79	113.7	174.7	-66.9	-22.9	0	0	0	111.4	M481 N503 V504	M481-D501 HydrophobicContact CE-CB 3.84Å; M481-D501 WeakPolarHBondContact CE-O 3.34Å; D501-N503 PolarHBondContact O-N 2.94Å; D501-V504 HydrophobicContact CB-CG2 3.88Å; D501-V504 PolarHBondContact O-N 3.02Å
502	P	82.2	Confident	82.5	Confident	53 Å²	53	82.9 Å²	82.9	34%	0.344	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.9	-179.2	26.4	-34.8	0	0	0	114.1	W476 M500 V504 P597	W476-P502 HydrophobicContact CH2-CB 3.88Å; W476-P502 HydrophobicContact CZ3-CB 4.16Å; M500-P502 VanDerWaalsContact O-CD 3.31Å; M500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-V504 PolarHBondContact O-N 2.93Å; P502-P597 HydrophobicContact CB-CB 3.85Å; P502-P597 HydrophobicContact CB-CG 4.01Å; P502-P597 HydrophobicContact CG-CB 3.81Å; P502-P597 HydrophobicContact CG-CG 4.4Å
503	N	82.5	Confident	82.6	Confident	115 Å²	115	82.9 Å²	82.9	62%	0.615	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.7	179.2	-162.8	29.4	0	0	0	112.5	D501 T505	D501-N503 PolarHBondContact O-N 2.94Å; N503-T505 PolarHBondContact O-N 3.41Å
504	V	80.9	Confident	83	Confident	18 Å²	18	76.1 Å²	76.1	11%	0.109	44%	0.439	C	S	.	.	S	Bend	trans	-77.9	118.6	179.3	-179.5	0	0	0	0	109	M481 K484 I486 D501 P502 G506 V507	M481-V504 HydrophobicContact CE-CB 4.31Å; M481-V504 HydrophobicContact CE-CG2 4.2Å; M481-V504 HydrophobicContact SD-CB 4.25Å; M481-V504 HydrophobicContact SD-CG1 4.18Å; M481-V504 HydrophobicContact SD-CG2 4.17Å; K484-V504 HydrophobicContact CD-CG1 3.47Å; K484-V504 VanDerWaalsContact CD-CG1 3.47Å; I486-V504 HydrophobicContact CD1-CG1 4.16Å; I486-V504 HydrophobicContact CD1-CG2 3.72Å; D501-V504 HydrophobicContact CB-CG2 3.88Å; D501-V504 PolarHBondContact O-N 3.02Å; P502-V504 PolarHBondContact O-N 2.93Å; V504-G506 PolarHBondContact O-N 3.21Å; V504-V507 HydrophobicContact CB-CB 4.42Å; V504-V507 HydrophobicContact CB-CG2 3.69Å; V504-V507 HydrophobicContact CG1-CG2 3.8Å; V504-V507 WeakPolarHBondContact O-CB 3.26Å; V504-V507 WeakPolarHBondContact O-CG2 3.43Å; V504-V507 PolarHBondContact O-N 3.15Å
505	T	77.9	Confident	83.1	Confident	105 Å²	105	74.8 Å²	74.8	64%	0.644	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	127.6	-178.8	65.6	0	0	0	0	112.1	K484 N503	K484-T505 WeakPolarHBondContact CE-OG1 3.48Å; K484-T505 PolarHBondContact NZ-OG1 2.88Å; N503-T505 PolarHBondContact O-N 3.41Å
506	G	76.3	Confident	83.4	Confident	29 Å²	29	71.2 Å²	71.2	30%	0.299	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	-15.5	179.7	0	0	0	0	0	115.1	V504	V504-G506 PolarHBondContact O-N 3.21Å
507	V	81.6	Confident	83.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.4	178.8	174.1	0	0	0	0	111.6	W476 H477 P480 M481 M500 V504	W476-V507 WeakPolarHBondContact CA-O 3.32Å; W476-V507 HydrophobicContact CE3-CG1 4Å; W476-V507 HydrophobicContact CZ3-CG1 4.11Å; H477-V507 PolarHBondContact N-O 2.98Å; P480-V507 HydrophobicContact CB-CG2 4.03Å; M481-V507 HydrophobicContact CE-CB 4.31Å; M481-V507 HydrophobicContact CE-CG1 3.87Å; M481-V507 HydrophobicContact CE-CG2 3.61Å; M481-V507 HydrophobicContact CG-CG2 3.9Å; M481-V507 HydrophobicContact SD-CG2 3.74Å; M500-V507 HydrophobicContact CB-CG1 4.22Å; V504-V507 HydrophobicContact CB-CB 4.42Å; V504-V507 HydrophobicContact CB-CG2 3.69Å; V504-V507 HydrophobicContact CG1-CG2 3.8Å; V504-V507 WeakPolarHBondContact O-CB 3.26Å; V504-V507 WeakPolarHBondContact O-CG2 3.43Å; V504-V507 PolarHBondContact O-N 3.15Å
508	F	85.1	Confident	84.1	Confident	78 Å²	78	58.1 Å²	58.1	34%	0.342	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-118.7	116.5	169.1	179.3	-107.8	0	0	0	108.5	W476	W476-F508 HydrophobicContact CD2-CD2 4.22Å; W476-F508 AromaticContact CE2-CD2 3.77Å; W476-F508 HydrophobicContact CE3-CB 4.5Å; W476-F508 AromaticContact CZ2-CD2 4Å; W476-F508 HydrophobicContact CZ2-CD2 4Å; W476-F508 HydrophobicContact CZ3-CB 4.42Å; W476-F508 AromaticContact NE1-CD2 3.88Å
509	T	80.8	Confident	84.2	Confident	85 Å²	85	56.7 Å²	56.7	52%	0.521	34%	0.342	S	S	.	.			trans	-102.5	-49.9	-175.8	46.1	0	0	0	0	112.4	G475	G475-T509 PolarHBondContact O-N 3.5Å; G475-T509 VanDerWaalsContact O-N 3.12Å; G475-T509 PolarHBondContact O-OG1 2.9Å
510	S	83	Confident	84.4	Confident	64 Å²	64	54.8 Å²	54.8	45%	0.448	32%	0.321	S	S	.	.	S	Bend	trans	-152.3	149.4	-176.8	177.1	0	0	0	0	110.7	G475	G475-S510 WeakPolarHBondContact CA-O 3.48Å
511	P	85.4	Confident	84.4	Confident	92 Å²	92	53.9 Å²	53.9	60%	0.597	33%	0.327	S	S	*	.			trans	-58.7	150.7	166	26.8	-35.2	0	0	0	111.2
512	Y	87.5	Confident	84.5	Confident	25 Å²	25	56.8 Å²	56.8	10%	0.098	34%	0.342	C	S	.	.			trans	-66.7	132.6	178.6	-166.1	-110.1	0	0	0	110.3	T471 F472 F514 D517 P518	T471-Y512 PolarHBondContact N-OH 3.05Å; T471-Y512 PolarHBondContact OG1-OH 2.99Å; F472-Y512 HydrophobicContact CB-CD2 4.42Å; F472-Y512 HydrophobicContact CB-CE2 3.6Å; F472-Y512 HydrophobicContact CD2-CE1 4.12Å; F472-Y512 AromaticContact CD2-CZ 3.89Å; F472-Y512 PolarHBondContact N-OH 3.17Å; Y512-F514 VanDerWaalsContact C-N 3.31Å; Y512-F514 WeakPolarHBondContact CD1-O 3.13Å; Y512-F514 WeakPolarHBondContact CE1-O 3.49Å; Y512-F514 PolarHBondContact O-N 3.5Å; Y512-D517 HydrophobicContact CG-CB 4.44Å; Y512-P518 HydrophobicContact CE2-CG 4.48Å
513	P	86.9	Confident	84.8	Confident	102 Å²	102	55.5 Å²	55.5	66%	0.662	34%	0.336	S	S	*	.	S	Bend	trans	-62.4	-30.1	-171.5	-27.3	35.3	0	0	0	115.6	F472	F472-P513 HydrophobicContact CG-CG 4.45Å
514	F	89.6	Confident	85	Confident	88 Å²	88	55.7 Å²	55.7	39%	0.386	34%	0.337	S	S	.	.	S	Bend	trans	-146.4	111.8	-176.3	178.3	-98.5	0	0	0	111.8	A459 I460 F472 Y512	A459-F514 HydrophobicContact CB-CE1 3.79Å; A459-F514 HydrophobicContact CB-CZ 4.06Å; I460-F514 HydrophobicContact CG1-CZ 4.38Å; F472-F514 HydrophobicContact CE2-CB 3.92Å; Y512-F514 VanDerWaalsContact C-N 3.31Å; Y512-F514 WeakPolarHBondContact CD1-O 3.13Å; Y512-F514 WeakPolarHBondContact CE1-O 3.49Å; Y512-F514 PolarHBondContact O-N 3.5Å
515	G	87.8	Confident	85.4	Confident	31 Å²	31	59.2 Å²	59.2	32%	0.32	36%	0.355	S	S	.	.	S	Bend	trans	79.4	-158.6	179.6	0	0	0	0	0	113.7	I460	I460-G515 CarbonylContact O-C 3.42Å; I460-G515 WeakPolarHBondContact O-CA 3.34Å
516	I	89.3	Confident	85.9	Confident	18 Å²	18	55.1 Å²	55.1	9%	0.092	33%	0.328	C	S	.	.	S	Bend	trans	-90	139	-176.6	-57.2	178.1	0	0	0	110.6	I460 Y461 N462 W520 F529 L530 Y533	I460-I516 PolarHBondContact O-N 2.92Å; Y461-I516 HydrophobicContact CD1-CD1 4.48Å; N462-I516 HydrophobicContact CB-CB 4.49Å; N462-I516 WeakPolarHBondContact CB-O 3.21Å; N462-I516 PolarHBondContact ND2-O 3.33Å; I516-W520 HydrophobicContact CG2-CB 4.39Å; I516-W520 HydrophobicContact CG2-CG 4.4Å; I516-F529 HydrophobicContact CG2-CE1 4.04Å; I516-L530 HydrophobicContact CD1-CD2 3.46Å; I516-L530 VanDerWaalsContact CD1-CD2 3.46Å; I516-Y533 HydrophobicContact CD1-CD1 4.24Å; I516-Y533 HydrophobicContact CD1-CE1 4.18Å
517	D	89.8	Confident	86.5	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.059	33%	0.334	C	S	.	.			trans	-59.4	128.2	179	-166.2	-43.2	0	0	0	111.3	S474 G475 Y512 V519 W520	S474-D517 PolarHBondContact OG-OD1 3.21Å; S474-D517 PolarHBondContact OG-OD2 3.38Å; G475-D517 PolarHBondContact N-OD2 2.87Å; Y512-D517 HydrophobicContact CG-CB 4.44Å; D517-V519 PolarHBondContact O-N 3.19Å; D517-V519 WeakPolarHBondContact OD1-CG2 3.46Å; D517-V519 PolarHBondContact OD1-N 3.02Å; D517-W520 PolarHBondContact O-N 3Å; D517-W520 VanDerWaalsContact O-N 3.16Å
518	P	87.1	Confident	86.9	Confident	18 Å²	18	62.8 Å²	62.8	12%	0.117	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-54.1	-24.9	177.7	-23.3	28.7	0	0	0	115.2	N462 M469 K470 Y512 W520 G521	N462-P518 WeakPolarHBondContact ND2-CG 3.24Å; M469-P518 WeakPolarHBondContact O-CG 3.32Å; K470-P518 HydrophobicContact CG-CB 4.2Å; K470-P518 HydrophobicContact CG-CG 4.31Å; Y512-P518 HydrophobicContact CE2-CG 4.48Å; P518-W520 PolarHBondContact O-N 3.38Å; P518-G521 PolarHBondContact O-N 3.46Å
519	V	87.5	Confident	87.2	Confident	37 Å²	37	62.8 Å²	62.8	22%	0.224	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.2	179.7	171.4	0	0	0	0	111.8	S474 W476 M500 D517 G521 L522 A523	S474-V519 WeakPolarHBondContact OG-CG2 3.3Å; W476-V519 HydrophobicContact CB-CG1 4.32Å; W476-V519 HydrophobicContact CB-CG2 4.28Å; M500-V519 HydrophobicContact CE-CG1 3.99Å; D517-V519 PolarHBondContact O-N 3.19Å; D517-V519 WeakPolarHBondContact OD1-CG2 3.46Å; D517-V519 PolarHBondContact OD1-N 3.02Å; V519-G521 PolarHBondContact O-N 3.09Å; V519-L522 PolarHBondContact O-N 3.21Å; V519-A523 PolarHBondContact O-N 3.37Å
520	W	87.4	Confident	87.6	Confident	47 Å²	47	59.4 Å²	59.4	18%	0.178	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.8	-24.8	176.1	-67.5	109.9	0	0	0	113.1	W476 I516 D517 P518 L522 A523 K526 F529	W476-W520 HydrophobicContact CZ2-CZ2 4.08Å; I516-W520 HydrophobicContact CG2-CB 4.39Å; I516-W520 HydrophobicContact CG2-CG 4.4Å; D517-W520 PolarHBondContact O-N 3Å; D517-W520 VanDerWaalsContact O-N 3.16Å; P518-W520 PolarHBondContact O-N 3.38Å; W520-L522 PolarHBondContact O-N 3.43Å; W520-A523 HydrophobicContact CE3-CB 4.25Å; W520-A523 PolarHBondContact O-N 3.41Å; W520-K526 VanDerWaalsContact O-CB 3.27Å; W520-K526 WeakPolarHBondContact O-CB 3.36Å; W520-K526 WeakPolarHBondContact O-CG 3.4Å; W520-F529 AromaticContact CD2-CD1 3.98Å; W520-F529 HydrophobicContact CD2-CD1 3.98Å; W520-F529 HydrophobicContact CD2-CE1 4.41Å; W520-F529 HydrophobicContact CD2-CG 4.26Å; W520-F529 HydrophobicContact CE3-CB 4.18Å; W520-F529 HydrophobicContact CE3-CD1 4.36Å; W520-F529 HydrophobicContact CE3-CG 4.31Å; W520-F529 HydrophobicContact CG-CD1 4.18Å; W520-F529 HydrophobicContact CG-CE1 4.36Å; W520-F529 HydrophobicContact CH2-CB 4.42Å; W520-F529 HydrophobicContact CH2-CD2 4.41Å; W520-F529 HydrophobicContact CH2-CG 4.35Å; W520-F529 HydrophobicContact CZ2-CD2 4.21Å; W520-F529 HydrophobicContact CZ2-CE2 4.46Å; W520-F529 HydrophobicContact CZ2-CG 4.3Å; W520-F529 HydrophobicContact CZ3-CB 4.08Å; W520-F529 HydrophobicContact CZ3-CG 4.35Å
521	G	82.6	Confident	88	Confident	39 Å²	39	59.2 Å²	59.2	40%	0.402	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-68.2	-19.1	174.1	0	0	0	0	0	114.1	P518 V519	P518-G521 PolarHBondContact O-N 3.46Å; V519-G521 PolarHBondContact O-N 3.09Å
522	L	83.5	Confident	88.3	Confident	137 Å²	137	57.3 Å²	57.3	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-14.2	178	-61.5	172.8	0	0	0	112.7	V519 W520	V519-L522 PolarHBondContact O-N 3.21Å; W520-L522 PolarHBondContact O-N 3.43Å
523	A	87.2	Confident	88.5	Confident	26 Å²	26	59.1 Å²	59.1	22%	0.215	34%	0.335	C	S	.	.			trans	-84.6	139.2	-172.4	0	0	0	0	0	112	V519 W520 N525 K526	V519-A523 PolarHBondContact O-N 3.37Å; W520-A523 HydrophobicContact CE3-CB 4.25Å; W520-A523 PolarHBondContact O-N 3.41Å; A523-N525 VanDerWaalsContact C-N 3.27Å; A523-N525 WeakPolarHBondContact CB-OD1 3.46Å; A523-N525 PolarHBondContact O-N 2.84Å; A523-K526 WeakPolarHBondContact O-CB 3.1Å; A523-K526 PolarHBondContact O-N 3.36Å
524	N	87.2	Confident	88.8	Confident	119 Å²	119	54.5 Å²	54.5	64%	0.636	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.5	176.5	-71.9	-7.2	0	0	0	113.2	F497 K526	F497-N524 WeakPolarHBondContact CD1-ND2 3.4Å; F497-N524 WeakPolarHBondContact CE1-ND2 3.5Å; N524-K526 VanDerWaalsContact C-N 3.28Å; N524-K526 PolarHBondContact O-N 3.41Å
525	N	89.8	Confident	88.9	Confident	92 Å²	92	53.9 Å²	53.9	49%	0.492	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	15.9	179.5	63.1	-15.7	0	0	0	113.4	A523 L527 T528 F529	A523-N525 VanDerWaalsContact C-N 3.27Å; A523-N525 WeakPolarHBondContact CB-OD1 3.46Å; A523-N525 PolarHBondContact O-N 2.84Å; N525-L527 VanDerWaalsContact C-N 3.28Å; N525-L527 PolarHBondContact O-N 3.43Å; N525-T528 PolarHBondContact O-N 3.07Å; N525-F529 PolarHBondContact O-N 3.48Å
526	K	88.1	Confident	89.2	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-47.8	-48.3	174.8	180	-174.1	173	-169.2	0	112.4	E463 W520 A523 N524 T528 F529 L530 E740	E463-K526 IonicContact OE1-NZ 3.56Å; E463-K526 PolarHBondContact OE1-NZ 3.21Å; W520-K526 VanDerWaalsContact O-CB 3.27Å; W520-K526 WeakPolarHBondContact O-CB 3.36Å; W520-K526 WeakPolarHBondContact O-CG 3.4Å; A523-K526 WeakPolarHBondContact O-CB 3.1Å; A523-K526 PolarHBondContact O-N 3.36Å; N524-K526 VanDerWaalsContact C-N 3.28Å; N524-K526 PolarHBondContact O-N 3.41Å; K526-T528 PolarHBondContact O-N 2.86Å; K526-F529 PolarHBondContact O-N 3.31Å; K526-L530 HydrophobicContact CD-CD1 4.1Å; K526-L530 HydrophobicContact CG-CD1 3.63Å; K526-L530 HydrophobicContact CG-CG 4.19Å; K526-L530 WeakPolarHBondContact O-CB 3.21Å; K526-L530 WeakPolarHBondContact O-CG 3.39Å; K526-L530 PolarHBondContact O-N 3.4Å; K526-E740 IonicContact NZ-OE2 3.09Å
527	L	88.8	Confident	89.4	Confident	80 Å²	80	54.5 Å²	54.5	42%	0.419	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-40.9	-174.9	-74.1	175	0	0	0	112.6	N525 F529 N531 Q737	N525-L527 VanDerWaalsContact C-N 3.28Å; N525-L527 PolarHBondContact O-N 3.43Å; L527-F529 VanDerWaalsContact C-N 3.34Å; L527-F529 PolarHBondContact O-N 3.17Å; L527-N531 WeakPolarHBondContact O-CB 3.24Å; L527-N531 PolarHBondContact O-N 3.25Å; L527-Q737 HydrophobicContact CD2-CG 4.35Å
528	T	90.9	Very high	89.6	Confident	110 Å²	110	54 Å²	54	68%	0.675	29%	0.294	S	S	*	.	H	α-helix	trans	-63.9	-41.6	179.4	-52.6	0	0	0	0	111.4	N525 K526 S532	N525-T528 PolarHBondContact O-N 3.07Å; K526-T528 PolarHBondContact O-N 2.86Å; T528-S532 PolarHBondContact O-N 2.89Å
529	F	90.5	Very high	89.9	Confident	78 Å²	78	54.2 Å²	54.2	34%	0.342	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-52.8	176.7	173.7	-103.5	0	0	0	111.9	I516 W520 N525 K526 L527 N531 S532 Y533	I516-F529 HydrophobicContact CG2-CE1 4.04Å; W520-F529 AromaticContact CD2-CD1 3.98Å; W520-F529 HydrophobicContact CD2-CD1 3.98Å; W520-F529 HydrophobicContact CD2-CE1 4.41Å; W520-F529 HydrophobicContact CD2-CG 4.26Å; W520-F529 HydrophobicContact CE3-CB 4.18Å; W520-F529 HydrophobicContact CE3-CD1 4.36Å; W520-F529 HydrophobicContact CE3-CG 4.31Å; W520-F529 HydrophobicContact CG-CD1 4.18Å; W520-F529 HydrophobicContact CG-CE1 4.36Å; W520-F529 HydrophobicContact CH2-CB 4.42Å; W520-F529 HydrophobicContact CH2-CD2 4.41Å; W520-F529 HydrophobicContact CH2-CG 4.35Å; W520-F529 HydrophobicContact CZ2-CD2 4.21Å; W520-F529 HydrophobicContact CZ2-CE2 4.46Å; W520-F529 HydrophobicContact CZ2-CG 4.3Å; W520-F529 HydrophobicContact CZ3-CB 4.08Å; W520-F529 HydrophobicContact CZ3-CG 4.35Å; N525-F529 PolarHBondContact O-N 3.48Å; K526-F529 PolarHBondContact O-N 3.31Å; L527-F529 VanDerWaalsContact C-N 3.34Å; L527-F529 PolarHBondContact O-N 3.17Å; F529-N531 VanDerWaalsContact C-N 3.34Å; F529-N531 PolarHBondContact O-N 3.33Å; F529-S532 PolarHBondContact O-N 3.01Å; F529-Y533 PolarHBondContact O-N 3.43Å
530	L	90	Very high	90.2	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-36.9	-177.6	-73.6	-177.9	0	0	0	112.9	I516 K526 Y533 K534	I516-L530 HydrophobicContact CD1-CD2 3.46Å; I516-L530 VanDerWaalsContact CD1-CD2 3.46Å; K526-L530 HydrophobicContact CD-CD1 4.1Å; K526-L530 HydrophobicContact CG-CD1 3.63Å; K526-L530 HydrophobicContact CG-CG 4.19Å; K526-L530 WeakPolarHBondContact O-CB 3.21Å; K526-L530 WeakPolarHBondContact O-CG 3.39Å; K526-L530 PolarHBondContact O-N 3.4Å; L530-Y533 PolarHBondContact O-N 2.78Å; L530-K534 WeakPolarHBondContact O-CB 3.39Å; L530-K534 WeakPolarHBondContact O-CG 3.25Å; L530-K534 PolarHBondContact O-N 3.31Å
531	N	91.9	Very high	90.6	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-51	176.4	-176.4	0.2	0	0	0	110.6	L527 F529 Y533 K534 M535 W729 L733	L527-N531 WeakPolarHBondContact O-CB 3.24Å; L527-N531 PolarHBondContact O-N 3.25Å; F529-N531 VanDerWaalsContact C-N 3.34Å; F529-N531 PolarHBondContact O-N 3.33Å; N531-Y533 VanDerWaalsContact C-N 3.32Å; N531-Y533 PolarHBondContact O-N 3.49Å; N531-K534 PolarHBondContact O-N 3.46Å; N531-M535 WeakPolarHBondContact O-CB 3.4Å; N531-M535 PolarHBondContact O-N 2.77Å; N531-W729 WeakPolarHBondContact OD1-CZ2 3.45Å; N531-W729 PolarHBondContact OD1-NE1 3.25Å; N531-W729 VanDerWaalsContact OD1-NE1 3.17Å; N531-L733 HydrophobicContact CB-CD1 4.33Å
532	S	91.1	Very high	91.1	Very high	52 Å²	52	50.9 Å²	50.9	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-41.5	177.2	-173.5	0	0	0	0	112.5	T528 F529 K536	T528-S532 PolarHBondContact O-N 2.89Å; F529-S532 PolarHBondContact O-N 3.01Å; S532-K536 WeakPolarHBondContact O-CB 3.4Å; S532-K536 WeakPolarHBondContact O-CD 3.42Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.46Å; S532-K536 PolarHBondContact O-N 3.33Å
533	Y	91.5	Very high	91.6	Very high	64 Å²	64	44.6 Å²	44.6	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-67.4	-55.9	178.1	174	-105.2	0	0	0	112.5	Y461 I516 F529 L530 N531 M535 K536 M537 W592	Y461-Y533 HydrophobicContact CD1-CE1 4.4Å; Y461-Y533 HydrophobicContact CE1-CE1 4.17Å; I516-Y533 HydrophobicContact CD1-CD1 4.24Å; I516-Y533 HydrophobicContact CD1-CE1 4.18Å; F529-Y533 PolarHBondContact O-N 3.43Å; L530-Y533 PolarHBondContact O-N 2.78Å; N531-Y533 VanDerWaalsContact C-N 3.32Å; N531-Y533 PolarHBondContact O-N 3.49Å; Y533-M535 PolarHBondContact O-N 2.73Å; Y533-K536 PolarHBondContact O-N 2.83Å; Y533-M537 WeakPolarHBondContact O-CB 3.42Å; Y533-M537 PolarHBondContact O-N 2.99Å; Y533-W592 HydrophobicContact CD2-CZ2 4.38Å
534	K	92.4	Very high	91.9	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-38	-175.4	-71.1	-171.3	177.9	-169.3	0	111.7	E463 L530 N531 M537 S538 W729 S732	E463-K534 IonicContact OE2-NZ 3.61Å; L530-K534 WeakPolarHBondContact O-CB 3.39Å; L530-K534 WeakPolarHBondContact O-CG 3.25Å; L530-K534 PolarHBondContact O-N 3.31Å; N531-K534 PolarHBondContact O-N 3.46Å; K534-M537 PolarHBondContact O-N 3.41Å; K534-S538 PolarHBondContact O-N 3.22Å; K534-S538 PolarHBondContact O-OG 2.91Å; K534-W729 HydrophobicContact CB-CB 4.43Å; K534-W729 VanDerWaalsContact CB-CD1 3.44Å; K534-W729 HydrophobicContact CB-CG 4.24Å; K534-S732 WeakPolarHBondContact CE-OG 3.33Å; K534-S732 PolarHBondContact NZ-O 3.09Å; K534-S732 VanDerWaalsContact NZ-O 3.12Å; K534-S732 PolarHBondContact NZ-OG 2.96Å
535	M	92.6	Very high	92.3	Very high	74 Å²	74	43.5 Å²	43.5	37%	0.365	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-41.2	175.8	-174.1	-173.4	71.4	0	0	112.3	N531 Y533 S538 V539 L726 W729	N531-M535 WeakPolarHBondContact O-CB 3.4Å; N531-M535 PolarHBondContact O-N 2.77Å; Y533-M535 PolarHBondContact O-N 2.73Å; M535-S538 PolarHBondContact O-OG 3.2Å; M535-V539 WeakPolarHBondContact O-CG2 2.9Å; M535-V539 PolarHBondContact O-N 3.13Å; M535-L726 HydrophobicContact CG-CD2 3.83Å; M535-W729 HydrophobicContact CB-CD2 3.96Å; M535-W729 HydrophobicContact CB-CE3 4.31Å; M535-W729 HydrophobicContact CB-CG 4.11Å; M535-W729 HydrophobicContact CG-CD2 4.3Å; M535-W729 HydrophobicContact CG-CE3 4.13Å
536	K	93.9	Very high	92.4	Very high	30 Å²	30	39.1 Å²	39.1	13%	0.13	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-41.1	177.6	-75	171.1	-179.8	177.2	0	111.8	S532 Y533 V539 I540 V588 W592	S532-K536 WeakPolarHBondContact O-CB 3.4Å; S532-K536 WeakPolarHBondContact O-CD 3.42Å; S532-K536 VanDerWaalsContact O-CG 3.27Å; S532-K536 WeakPolarHBondContact O-CG 3.46Å; S532-K536 PolarHBondContact O-N 3.33Å; Y533-K536 PolarHBondContact O-N 2.83Å; K536-V539 PolarHBondContact O-N 3.15Å; K536-I540 VanDerWaalsContact O-CG1 3.31Å; K536-I540 WeakPolarHBondContact O-CG1 3.45Å; K536-I540 PolarHBondContact O-N 3.42Å; K536-I540 VanDerWaalsContact O-N 3.09Å; K536-V588 HydrophobicContact CB-CG1 3.97Å; K536-V588 HydrophobicContact CD-CG1 4Å; K536-V588 HydrophobicContact CG-CG1 4.08Å; K536-W592 HydrophobicContact CB-CH2 4.22Å; K536-W592 HydrophobicContact CB-CZ2 3.8Å; K536-W592 HydrophobicContact CD-CZ2 3.92Å
537	M	93.1	Very high	92.6	Very high	32 Å²	32	39.2 Å²	39.2	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-42.1	178	-178.9	-90.7	-133.9	0	0	111.9	V402 Y461 Y533 K534 V539 I540 V541	V402-M537 HydrophobicContact CB-CE 4.48Å; V402-M537 HydrophobicContact CG1-CE 3.81Å; V402-M537 HydrophobicContact CG1-SD 3.86Å; V402-M537 HydrophobicContact CG2-CE 3.94Å; Y461-M537 HydrophobicContact CE1-CE 4.13Å; Y461-M537 VanDerWaalsContact OH-CE 3.27Å; Y461-M537 WeakPolarHBondContact OH-CE 3.27Å; Y533-M537 WeakPolarHBondContact O-CB 3.42Å; Y533-M537 PolarHBondContact O-N 2.99Å; K534-M537 PolarHBondContact O-N 3.41Å; M537-V539 VanDerWaalsContact C-N 3.35Å; M537-V539 PolarHBondContact O-N 3.43Å; M537-I540 PolarHBondContact O-N 3.2Å; M537-V541 HydrophobicContact CG-CG2 4.49Å; M537-V541 WeakPolarHBondContact O-CG2 3.13Å; M537-V541 PolarHBondContact O-N 3.23Å; M537-V541 HydrophobicContact SD-CG2 4.03Å
538	S	94.1	Very high	92.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-40.6	177.7	63.2	0	0	0	0	112.9	K534 M535 G542 Y725	K534-S538 PolarHBondContact O-N 3.22Å; K534-S538 PolarHBondContact O-OG 2.91Å; M535-S538 PolarHBondContact O-OG 3.2Å; S538-G542 PolarHBondContact O-N 3.24Å; S538-Y725 WeakPolarHBondContact CB-O 3.35Å
539	V	93.6	Very high	92.8	Very high	23 Å²	23	33.8 Å²	33.8	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-43.5	176.3	173.5	0	0	0	0	111.2	M535 K536 M537 G542 I543 L584 L726	M535-V539 WeakPolarHBondContact O-CG2 2.9Å; M535-V539 PolarHBondContact O-N 3.13Å; K536-V539 PolarHBondContact O-N 3.15Å; M537-V539 VanDerWaalsContact C-N 3.35Å; M537-V539 PolarHBondContact O-N 3.43Å; V539-G542 PolarHBondContact O-N 2.93Å; V539-I543 HydrophobicContact CG1-CD1 3.56Å; V539-I543 HydrophobicContact CG1-CG1 4.46Å; V539-I543 WeakPolarHBondContact O-CD1 3.4Å; V539-I543 VanDerWaalsContact O-CG1 3.3Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 3.18Å; V539-L584 HydrophobicContact CG1-CD2 3.94Å; V539-L726 HydrophobicContact CG2-CD2 3.94Å
540	I	94.9	Very high	92.8	Very high	28 Å²	28	30.1 Å²	30.1	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-50.5	177.2	-66.4	169.5	0	0	0	110.8	K536 M537 G542 I543 I544 V585 V588 W592	K536-I540 VanDerWaalsContact O-CG1 3.31Å; K536-I540 WeakPolarHBondContact O-CG1 3.45Å; K536-I540 PolarHBondContact O-N 3.42Å; K536-I540 VanDerWaalsContact O-N 3.09Å; M537-I540 PolarHBondContact O-N 3.2Å; I540-G542 VanDerWaalsContact C-N 3.31Å; I540-G542 PolarHBondContact O-N 3.18Å; I540-I543 PolarHBondContact O-N 2.93Å; I540-I544 HydrophobicContact CG2-CD1 3.73Å; I540-I544 WeakPolarHBondContact O-CG1 3.41Å; I540-I544 PolarHBondContact O-N 2.89Å; I540-I544 VanDerWaalsContact O-N 3.09Å; I540-V585 HydrophobicContact CG1-CG1 4.21Å; I540-V585 HydrophobicContact CG1-CG2 4.42Å; I540-V585 HydrophobicContact CG2-CG1 4.33Å; I540-V588 HydrophobicContact CD1-CG1 3.88Å; I540-W592 HydrophobicContact CD1-CH2 3.83Å; I540-W592 HydrophobicContact CD1-CZ3 3.72Å
541	V	94.4	Very high	92.8	Very high	25 Å²	25	31.9 Å²	31.9	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-43.5	179.1	171.3	0	0	0	0	110.7	F398 L399 M537 I544 H545 L728	F398-V541 HydrophobicContact CE1-CG1 4.39Å; L399-V541 HydrophobicContact CD2-CG1 3.49Å; L399-V541 VanDerWaalsContact CD2-CG1 3.49Å; M537-V541 HydrophobicContact CG-CG2 4.49Å; M537-V541 WeakPolarHBondContact O-CG2 3.13Å; M537-V541 PolarHBondContact O-N 3.23Å; M537-V541 HydrophobicContact SD-CG2 4.03Å; V541-I544 PolarHBondContact O-N 3.16Å; V541-H545 VanDerWaalsContact O-CB 3.26Å; V541-H545 WeakPolarHBondContact O-CB 3.31Å; V541-H545 PolarHBondContact O-N 3.41Å; V541-L728 HydrophobicContact CB-CD1 4.47Å; V541-L728 HydrophobicContact CG1-CD1 4.18Å
542	G	93.7	Very high	92.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-46.3	179.5	0	0	0	0	0	113.7	S538 V539 I540 H545 M546	S538-G542 PolarHBondContact O-N 3.24Å; V539-G542 PolarHBondContact O-N 2.93Å; I540-G542 VanDerWaalsContact C-N 3.31Å; I540-G542 PolarHBondContact O-N 3.18Å; G542-H545 PolarHBondContact O-N 2.94Å; G542-M546 WeakPolarHBondContact O-CE 3.45Å; G542-M546 WeakPolarHBondContact O-CG 3.33Å; G542-M546 PolarHBondContact O-N 3.33Å
543	I	94.1	Very high	92.6	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-41	-178.7	-65.9	163.7	0	0	0	110.9	V539 I540 M546 T547 F581 V585 T722	V539-I543 HydrophobicContact CG1-CD1 3.56Å; V539-I543 HydrophobicContact CG1-CG1 4.46Å; V539-I543 WeakPolarHBondContact O-CD1 3.4Å; V539-I543 VanDerWaalsContact O-CG1 3.3Å; V539-I543 WeakPolarHBondContact O-CG1 3.44Å; V539-I543 PolarHBondContact O-N 3.18Å; I540-I543 PolarHBondContact O-N 2.93Å; I543-M546 HydrophobicContact CG1-CE 4.31Å; I543-T547 VanDerWaalsContact O-CB 3.26Å; I543-T547 WeakPolarHBondContact O-CB 3.48Å; I543-T547 PolarHBondContact O-N 3.13Å; I543-T547 PolarHBondContact O-OG1 3.22Å; I543-F581 HydrophobicContact CD1-CB 3.79Å; I543-F581 HydrophobicContact CG1-CB 3.98Å; I543-F581 HydrophobicContact CG2-CB 4.13Å; I543-V585 HydrophobicContact CB-CG2 3.94Å; I543-V585 HydrophobicContact CD1-CG2 3.53Å; I543-V585 HydrophobicContact CG1-CG2 4.33Å; I543-V585 HydrophobicContact CG2-CG2 3.95Å; I543-T722 HydrophobicContact CD1-CG2 4.22Å; I543-T722 HydrophobicContact CG1-CG2 4.03Å
544	I	94	Very high	92.5	Very high	107 Å²	107	27.2 Å²	27.2	55%	0.549	14%	0.139	S	C	.	.	H	α-helix	trans	-62.5	-45.3	174.9	-66.7	170.4	0	0	0	110.4	I540 V541 T547 F548	I540-I544 HydrophobicContact CG2-CD1 3.73Å; I540-I544 WeakPolarHBondContact O-CG1 3.41Å; I540-I544 PolarHBondContact O-N 2.89Å; I540-I544 VanDerWaalsContact O-N 3.09Å; V541-I544 PolarHBondContact O-N 3.16Å; I544-T547 PolarHBondContact O-N 3.39Å; I544-F548 VanDerWaalsContact O-CB 3.32Å; I544-F548 WeakPolarHBondContact O-CB 3.45Å; I544-F548 PolarHBondContact O-N 3.14Å
545	H	94.1	Very high	92.3	Very high	14 Å²	14	31.3 Å²	31.3	7%	0.065	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-44.2	-179.7	-173.2	-131.8	0	0	0	112.6	V541 G542 F548 G549 Y725 H793 F797	V541-H545 VanDerWaalsContact O-CB 3.26Å; V541-H545 WeakPolarHBondContact O-CB 3.31Å; V541-H545 PolarHBondContact O-N 3.41Å; G542-H545 PolarHBondContact O-N 2.94Å; H545-F548 WeakPolarHBondContact O-CB 3.2Å; H545-F548 PolarHBondContact O-N 3.3Å; H545-G549 PolarHBondContact O-N 3.33Å; H545-Y725 AromaticContact ND1-CE1 3.93Å; H545-Y725 AromaticContact ND1-CZ 3.79Å; H545-Y725 PolarHBondContact ND1-OH 3.43Å; H545-H793 AromaticContact NE2-NE2 3.95Å; H545-F797 AromaticContact CD2-CD2 3.83Å; H545-F797 AromaticContact CE1-CD2 3.8Å; H545-F797 AromaticContact CE1-CG 3.77Å; H545-F797 AromaticContact NE2-CD2 3.46Å; H545-F797 WeakPolarHBondContact NE2-CD2 3.27Å; H545-F797 AromaticContact NE2-CE2 3.94Å; H545-F797 AromaticContact NE2-CG 3.69Å
546	M	92.1	Very high	92.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-42.8	176.1	-72.2	-176.6	-67.8	0	0	112.5	G542 I543 F548 G549 V550 M577 N721 T722 Y725	G542-M546 WeakPolarHBondContact O-CE 3.45Å; G542-M546 WeakPolarHBondContact O-CG 3.33Å; G542-M546 PolarHBondContact O-N 3.33Å; I543-M546 HydrophobicContact CG1-CE 4.31Å; M546-F548 PolarHBondContact O-N 2.91Å; M546-G549 PolarHBondContact O-N 3.16Å; M546-G549 VanDerWaalsContact O-N 3.09Å; M546-V550 PolarHBondContact O-N 3.18Å; M546-M577 HydrophobicContact CB-CE 3.96Å; M546-M577 HydrophobicContact CE-CE 3.99Å; M546-M577 HydrophobicContact SD-CE 4.18Å; M546-N721 HydrophobicContact SD-CB 3.74Å; M546-T722 HydrophobicContact CE-CG2 4.39Å; M546-T722 WeakPolarHBondContact CE-OG1 3.23Å; M546-Y725 HydrophobicContact CE-CD2 4.04Å; M546-Y725 HydrophobicContact CE-CE2 3.88Å; M546-Y725 HydrophobicContact CG-CE2 3.61Å; M546-Y725 HydrophobicContact SD-CD2 4.28Å; M546-Y725 HydrophobicContact SD-CE2 3.67Å
547	T	92.5	Very high	91.9	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.135	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-40.5	177.3	-55.5	0	0	0	0	110	I543 I544 G549 V550 C551 L574 L578	I543-T547 VanDerWaalsContact O-CB 3.26Å; I543-T547 WeakPolarHBondContact O-CB 3.48Å; I543-T547 PolarHBondContact O-N 3.13Å; I543-T547 PolarHBondContact O-OG1 3.22Å; I544-T547 PolarHBondContact O-N 3.39Å; T547-G549 PolarHBondContact O-N 3.44Å; T547-V550 PolarHBondContact O-N 3.03Å; T547-C551 PolarHBondContact O-N 2.78Å; T547-C551 PolarHBondContact O-SG 3.15Å; T547-L574 HydrophobicContact CG2-CD1 3.87Å; T547-L578 HydrophobicContact CG2-CD2 4.04Å
548	F	92.6	Very high	91.7	Very high	76 Å²	76	36.4 Å²	36.4	33%	0.333	17%	0.171	S	C	.	.	H	α-helix	trans	-59.8	-43.3	173.1	178.7	-116.6	0	0	0	112.3	Y391 I544 H545 M546 C551 L552 F797	Y391-F548 AromaticContact CD1-CE1 3.86Å; Y391-F548 HydrophobicContact CD1-CE1 3.86Å; Y391-F548 AromaticContact CD1-CZ 3.61Å; Y391-F548 HydrophobicContact CD1-CZ 3.61Å; Y391-F548 HydrophobicContact CD2-CE1 4.44Å; Y391-F548 HydrophobicContact CD2-CZ 4.5Å; Y391-F548 HydrophobicContact CE1-CE1 4.3Å; Y391-F548 AromaticContact CE1-CZ 3.61Å; Y391-F548 HydrophobicContact CE1-CZ 3.61Å; Y391-F548 HydrophobicContact CE2-CZ 4.48Å; Y391-F548 AromaticContact CG-CE1 3.93Å; Y391-F548 HydrophobicContact CG-CE1 3.93Å; Y391-F548 HydrophobicContact CG-CZ 4.07Å; I544-F548 VanDerWaalsContact O-CB 3.32Å; I544-F548 WeakPolarHBondContact O-CB 3.45Å; I544-F548 PolarHBondContact O-N 3.14Å; H545-F548 WeakPolarHBondContact O-CB 3.2Å; H545-F548 PolarHBondContact O-N 3.3Å; M546-F548 PolarHBondContact O-N 2.91Å; F548-C551 WeakPolarHBondContact O-CB 3.43Å; F548-C551 PolarHBondContact O-N 3.1Å; F548-L552 HydrophobicContact CE1-CD1 4.1Å; F548-L552 HydrophobicContact CE2-CD2 4.29Å; F548-L552 HydrophobicContact CZ-CD1 4.25Å; F548-L552 HydrophobicContact CZ-CD2 4.1Å; F548-L552 HydrophobicContact CZ-CG 4.34Å; F548-L552 PolarHBondContact O-N 3.29Å; F548-F797 AromaticContact CD1-CE2 3.65Å; F548-F797 HydrophobicContact CD1-CE2 3.65Å; F548-F797 HydrophobicContact CD1-CZ 4.01Å; F548-F797 HydrophobicContact CE1-CE2 4.13Å; F548-F797 AromaticContact CE1-CZ 4Å; F548-F797 HydrophobicContact CE1-CZ 4Å
549	G	90.8	Very high	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-44.7	174.7	0	0	0	0	0	113.5	H545 M546 T547 C551 L552 F801	H545-G549 PolarHBondContact O-N 3.33Å; M546-G549 PolarHBondContact O-N 3.16Å; M546-G549 VanDerWaalsContact O-N 3.09Å; T547-G549 PolarHBondContact O-N 3.44Å; G549-C551 VanDerWaalsContact C-N 3.32Å; G549-C551 PolarHBondContact O-N 3.48Å; G549-L552 WeakPolarHBondContact O-CB 3.33Å; G549-L552 PolarHBondContact O-N 3.4Å; G549-L552 VanDerWaalsContact O-N 3.09Å; G549-F801 WeakPolarHBondContact O-CD1 3.45Å
550	V	91.4	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-39.4	175	176.8	0	0	0	0	110.9	M546 T547 L552 S553 L570 E573 L574 K800	M546-V550 PolarHBondContact O-N 3.18Å; T547-V550 PolarHBondContact O-N 3.03Å; V550-L552 PolarHBondContact O-N 3.08Å; V550-S553 PolarHBondContact O-N 3.36Å; V550-S553 PolarHBondContact O-OG 3.46Å; V550-L570 HydrophobicContact CG1-CD1 3.79Å; V550-L570 VanDerWaalsContact O-CD1 3.29Å; V550-L570 WeakPolarHBondContact O-CD1 3.3Å; V550-E573 HydrophobicContact CG1-CB 4.42Å; V550-L574 HydrophobicContact CG1-CB 4.33Å; V550-K800 HydrophobicContact CG2-CB 4.05Å; V550-K800 HydrophobicContact CG2-CD 4.13Å; V550-K800 HydrophobicContact CG2-CG 3.97Å
551	C	90.9	Very high	90.3	Very high	53 Å²	53	43.4 Å²	43.4	36%	0.358	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-26.6	174.9	-69.3	0	0	0	0	113.3	T547 F548 G549 S553 F554	T547-C551 PolarHBondContact O-N 2.78Å; T547-C551 PolarHBondContact O-SG 3.15Å; F548-C551 WeakPolarHBondContact O-CB 3.43Å; F548-C551 PolarHBondContact O-N 3.1Å; G549-C551 VanDerWaalsContact C-N 3.32Å; G549-C551 PolarHBondContact O-N 3.48Å; C551-S553 VanDerWaalsContact C-N 3.34Å; C551-F554 VanDerWaalsContact O-CB 3.26Å; C551-F554 WeakPolarHBondContact O-CB 3.45Å; C551-F554 PolarHBondContact O-N 3.04Å
552	L	90	Very high	89.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-71	-27.7	177.7	-67.9	177.8	0	0	0	113.1	Y391 F548 G549 V550 F554 F555 F797 F801	Y391-L552 HydrophobicContact CD2-CD1 3.69Å; Y391-L552 HydrophobicContact CD2-CD2 4.49Å; Y391-L552 HydrophobicContact CE2-CD1 3.59Å; Y391-L552 HydrophobicContact CE2-CD2 3.61Å; Y391-L552 HydrophobicContact CE2-CG 4.27Å; F548-L552 HydrophobicContact CE1-CD1 4.1Å; F548-L552 HydrophobicContact CE2-CD2 4.29Å; F548-L552 HydrophobicContact CZ-CD1 4.25Å; F548-L552 HydrophobicContact CZ-CD2 4.1Å; F548-L552 HydrophobicContact CZ-CG 4.34Å; F548-L552 PolarHBondContact O-N 3.29Å; G549-L552 WeakPolarHBondContact O-CB 3.33Å; G549-L552 PolarHBondContact O-N 3.4Å; G549-L552 VanDerWaalsContact O-N 3.09Å; V550-L552 PolarHBondContact O-N 3.08Å; L552-F554 PolarHBondContact O-N 2.95Å; L552-F555 HydrophobicContact CD2-CD2 4.09Å; L552-F555 HydrophobicContact CD2-CE2 4.28Å; L552-F555 PolarHBondContact O-N 3.36Å; L552-F555 VanDerWaalsContact O-N 3.11Å; L552-F797 HydrophobicContact CD1-CE1 4.46Å; L552-F797 HydrophobicContact CD1-CE2 4.28Å; L552-F797 HydrophobicContact CD1-CZ 3.64Å; L552-F801 HydrophobicContact CB-CB 4.28Å; L552-F801 HydrophobicContact CB-CD1 4.05Å; L552-F801 HydrophobicContact CB-CD2 4.14Å; L552-F801 HydrophobicContact CB-CE1 4.43Å; L552-F801 HydrophobicContact CB-CG 3.89Å; L552-F801 HydrophobicContact CD1-CD1 4.26Å; L552-F801 HydrophobicContact CD1-CE1 3.81Å; L552-F801 HydrophobicContact CD1-CE2 4.16Å; L552-F801 HydrophobicContact CD1-CZ 3.75Å
553	S	87.8	Confident	89.4	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-25.1	177.2	75.8	0	0	0	0	112.2	V550 C551 F555 N556 Y557 L570	V550-S553 PolarHBondContact O-N 3.36Å; V550-S553 PolarHBondContact O-OG 3.46Å; C551-S553 VanDerWaalsContact C-N 3.34Å; S553-F555 VanDerWaalsContact C-N 3.33Å; S553-F555 PolarHBondContact O-N 2.94Å; S553-N556 WeakPolarHBondContact O-CB 3.37Å; S553-N556 PolarHBondContact O-N 2.94Å; S553-N556 VanDerWaalsContact O-N 3.17Å; S553-Y557 VanDerWaalsContact O-CD2 3.25Å; S553-Y557 WeakPolarHBondContact O-CD2 3.39Å; S553-Y557 PolarHBondContact O-N 3.17Å; S553-L570 WeakPolarHBondContact OG-CD1 3.47Å
554	F	90.1	Very high	88.8	Confident	73 Å²	73	55.2 Å²	55.2	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-54.3	-47.4	170.2	178.3	-106	0	0	0	112.3	C551 L552 N556 Y557 W558 I566 L570	C551-F554 VanDerWaalsContact O-CB 3.26Å; C551-F554 WeakPolarHBondContact O-CB 3.45Å; C551-F554 PolarHBondContact O-N 3.04Å; L552-F554 PolarHBondContact O-N 2.95Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 3.45Å; F554-Y557 PolarHBondContact O-N 3.39Å; F554-W558 HydrophobicContact CE2-CE3 4.3Å; F554-W558 AromaticContact CZ-CE3 3.87Å; F554-W558 HydrophobicContact CZ-CE3 3.87Å; F554-W558 HydrophobicContact CZ-CZ3 4.44Å; F554-W558 VanDerWaalsContact O-CB 3.31Å; F554-W558 WeakPolarHBondContact O-CB 3.43Å; F554-W558 PolarHBondContact O-N 3.34Å; F554-I566 HydrophobicContact CD2-CG2 4.26Å; F554-I566 HydrophobicContact CE2-CD1 4.42Å; F554-I566 HydrophobicContact CE2-CG2 4.24Å; F554-L570 HydrophobicContact CB-CD2 3.6Å; F554-L570 HydrophobicContact CD2-CD2 3.63Å; F554-L570 HydrophobicContact CG-CD2 4.08Å
555	F	88.5	Confident	88.4	Confident	90 Å²	90	50.6 Å²	50.6	40%	0.395	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-31.6	-178.8	-65.7	-67.7	0	0	0	112.1	F5 R6 V386 L552 S553 H559	F5-F555 HydrophobicContact CZ-CB 4.38Å; F5-F555 HydrophobicContact CZ-CG 4.39Å; R6-F555 PolarHBondContact NH2-O 2.84Å; V386-F555 HydrophobicContact CG2-CB 4.06Å; L552-F555 HydrophobicContact CD2-CD2 4.09Å; L552-F555 HydrophobicContact CD2-CE2 4.28Å; L552-F555 PolarHBondContact O-N 3.36Å; L552-F555 VanDerWaalsContact O-N 3.11Å; S553-F555 VanDerWaalsContact C-N 3.33Å; S553-F555 PolarHBondContact O-N 2.94Å; F555-H559 WeakPolarHBondContact O-CB 3.3Å; F555-H559 PolarHBondContact O-N 3.03Å
556	N	88.4	Confident	88	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-54.2	173.6	-79.6	-15.6	0	0	0	110.5	V386 S553 F554 W558 H559 F560 F801	V386-N556 WeakPolarHBondContact CB-OD1 3.41Å; V386-N556 WeakPolarHBondContact CG2-OD1 3.46Å; V386-N556 PolarHBondContact N-OD1 3.42Å; S553-N556 WeakPolarHBondContact O-CB 3.37Å; S553-N556 PolarHBondContact O-N 2.94Å; S553-N556 VanDerWaalsContact O-N 3.17Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 3.45Å; N556-W558 VanDerWaalsContact C-N 3.34Å; N556-W558 PolarHBondContact O-N 3.25Å; N556-H559 PolarHBondContact O-N 2.68Å; N556-H559 VanDerWaalsContact O-N 3.15Å; N556-F560 WeakPolarHBondContact O-CD2 3.35Å; N556-F560 PolarHBondContact O-N 2.84Å; N556-F560 VanDerWaalsContact O-N 3.09Å; N556-F801 PolarHBondContact ND2-O 3.25Å
557	Y	87.9	Confident	87.8	Confident	52 Å²	52	57 Å²	57	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-38.6	-177.9	-62.2	-44.2	0	0	0	113.4	S553 F554 H559 G561 K562 I566 L570	S553-Y557 VanDerWaalsContact O-CD2 3.25Å; S553-Y557 WeakPolarHBondContact O-CD2 3.39Å; S553-Y557 PolarHBondContact O-N 3.17Å; F554-Y557 PolarHBondContact O-N 3.39Å; Y557-H559 VanDerWaalsContact C-N 3.3Å; Y557-H559 PolarHBondContact O-N 3.44Å; Y557-G561 PolarHBondContact O-N 3.36Å; Y557-K562 PolarHBondContact O-N 3.05Å; Y557-I566 HydrophobicContact CD2-CG1 4.4Å; Y557-I566 HydrophobicContact CG-CG1 4.34Å; Y557-L570 HydrophobicContact CD2-CB 4.38Å; Y557-L570 HydrophobicContact CE2-CB 4.29Å
558	W	88.9	Confident	87.5	Confident	181 Å²	181	59 Å²	59	69%	0.686	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-42.6	175	-175.5	-85.9	0	0	0	111.6	F554 N556 G561 I566	F554-W558 HydrophobicContact CE2-CE3 4.3Å; F554-W558 AromaticContact CZ-CE3 3.87Å; F554-W558 HydrophobicContact CZ-CE3 3.87Å; F554-W558 HydrophobicContact CZ-CZ3 4.44Å; F554-W558 VanDerWaalsContact O-CB 3.31Å; F554-W558 WeakPolarHBondContact O-CB 3.43Å; F554-W558 PolarHBondContact O-N 3.34Å; N556-W558 VanDerWaalsContact C-N 3.34Å; N556-W558 PolarHBondContact O-N 3.25Å; W558-G561 PolarHBondContact O-N 3.31Å; W558-I566 HydrophobicContact CE3-CD1 4.42Å
559	H	86.6	Confident	87.2	Confident	45 Å²	45	55.6 Å²	55.6	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-39.2	-177.8	-175.5	-136.8	0	0	0	114.2	R6 R384 F555 N556 Y557 G561	R6-H559 PolarHBondContact NH1-CD2 2.92Å; R6-H559 PolarHBondContact NH1-CE1 2.96Å; R6-H559 PolarHBondContact NH1-NE2 3.34Å; R384-H559 PolarHBondContact NE-CE1 3.5Å; R384-H559 PolarHBondContact NE-NE2 3.48Å; R384-H559 PolarHBondContact NH2-CD2 3.15Å; R384-H559 VanDerWaalsContact NH2-CD2 3.34Å; R384-H559 PolarHBondContact NH2-CE1 3.42Å; R384-H559 PolarHBondContact NH2-NE2 2.91Å; R384-H559 PolarHBondContact O-CE1 2.93Å; R384-H559 PolarHBondContact O-ND1 2.92Å; F555-H559 WeakPolarHBondContact O-CB 3.3Å; F555-H559 PolarHBondContact O-N 3.03Å; N556-H559 PolarHBondContact O-N 2.68Å; N556-H559 VanDerWaalsContact O-N 3.15Å; Y557-H559 VanDerWaalsContact C-N 3.3Å; Y557-H559 PolarHBondContact O-N 3.44Å; H559-G561 PolarHBondContact O-N 3.2Å
560	F	86.4	Confident	87.2	Confident	99 Å²	99	56.3 Å²	56.3	43%	0.434	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.6	176.4	-68.1	-67.4	0	0	0	112.8	N556 K562	N556-F560 WeakPolarHBondContact O-CD2 3.35Å; N556-F560 PolarHBondContact O-N 2.84Å; N556-F560 VanDerWaalsContact O-N 3.09Å; F560-K562 HydrophobicContact CB-CD 4.38Å; F560-K562 HydrophobicContact CB-CG 4.17Å; F560-K562 PolarHBondContact O-N 2.8Å
561	G	81.9	Confident	87.1	Confident	54 Å²	54	61 Å²	61	56%	0.557	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	19.1	179.9	0	0	0	0	0	114.3	Y557 W558 H559 I563	Y557-G561 PolarHBondContact O-N 3.36Å; W558-G561 PolarHBondContact O-N 3.31Å; H559-G561 PolarHBondContact O-N 3.2Å; G561-I563 PolarHBondContact O-N 3.02Å; G561-I563 VanDerWaalsContact O-N 3.09Å
562	K	84.1	Confident	87.2	Confident	121 Å²	121	58.9 Å²	58.9	53%	0.526	29%	0.286	S	S	.	.			trans	-87.2	71.2	-176.3	-66	-176.2	-178.3	179.5	0	111.3	Y557 F560 S564 S565	Y557-K562 PolarHBondContact O-N 3.05Å; F560-K562 HydrophobicContact CB-CD 4.38Å; F560-K562 HydrophobicContact CB-CG 4.17Å; F560-K562 PolarHBondContact O-N 2.8Å; K562-S564 VanDerWaalsContact C-N 3.28Å; K562-S564 PolarHBondContact O-N 3.36Å; K562-S565 PolarHBondContact O-N 3.49Å
563	I	84	Confident	87.2	Confident	112 Å²	112	59 Å²	59	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-36.5	-176	-57.7	171.4	0	0	0	112	G561 S565 I566 F567	G561-I563 PolarHBondContact O-N 3.02Å; G561-I563 VanDerWaalsContact O-N 3.09Å; I563-S565 PolarHBondContact O-N 3.15Å; I563-I566 WeakPolarHBondContact O-CB 3.49Å; I563-I566 PolarHBondContact O-N 2.97Å; I563-I566 VanDerWaalsContact O-N 3.16Å; I563-F567 HydrophobicContact CG2-CD2 3.93Å; I563-F567 HydrophobicContact CG2-CE2 3.7Å; I563-F567 WeakPolarHBondContact O-CD2 3.22Å; I563-F567 PolarHBondContact O-N 3.5Å
564	S	82.2	Confident	87.4	Confident	46 Å²	46	61 Å²	61	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-56.9	-45.9	177.6	-176.3	0	0	0	0	112.4	K562 I566 F567 F568	K562-S564 VanDerWaalsContact C-N 3.28Å; K562-S564 PolarHBondContact O-N 3.36Å; S564-I566 VanDerWaalsContact C-N 3.27Å; S564-I566 PolarHBondContact O-N 2.95Å; S564-F567 PolarHBondContact O-N 2.95Å; S564-F568 WeakPolarHBondContact O-CD2 3.49Å; S564-F568 PolarHBondContact O-N 3.16Å
565	S	84.4	Confident	87.5	Confident	11 Å²	11	60.9 Å²	60.9	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-30.6	179	-58.4	0	0	0	0	112.9	K562 I563 V569 L570	K562-S565 PolarHBondContact O-N 3.49Å; I563-S565 PolarHBondContact O-N 3.15Å; S565-V569 WeakPolarHBondContact O-CA 3.42Å; S565-V569 VanDerWaalsContact O-CB 3.25Å; S565-V569 WeakPolarHBondContact O-CB 3.32Å; S565-V569 PolarHBondContact O-N 3.34Å; S565-L570 PolarHBondContact O-N 3.44Å; S565-L570 VanDerWaalsContact O-N 3.14Å
566	I	86.8	Confident	87.7	Confident	24 Å²	24	57.5 Å²	57.5	12%	0.123	28%	0.281	C	S	.	.	I	π-helix	trans	-64.1	-46.1	177.7	-61.6	176.6	0	0	0	110.4	F554 Y557 W558 I563 S564 L570 L571	F554-I566 HydrophobicContact CD2-CG2 4.26Å; F554-I566 HydrophobicContact CE2-CD1 4.42Å; F554-I566 HydrophobicContact CE2-CG2 4.24Å; Y557-I566 HydrophobicContact CD2-CG1 4.4Å; Y557-I566 HydrophobicContact CG-CG1 4.34Å; W558-I566 HydrophobicContact CE3-CD1 4.42Å; I563-I566 WeakPolarHBondContact O-CB 3.49Å; I563-I566 PolarHBondContact O-N 2.97Å; I563-I566 VanDerWaalsContact O-N 3.16Å; S564-I566 VanDerWaalsContact C-N 3.27Å; S564-I566 PolarHBondContact O-N 2.95Å; I566-L570 HydrophobicContact CG2-CD2 4.32Å; I566-L571 PolarHBondContact O-N 3.42Å
567	F	87.4	Confident	87.8	Confident	125 Å²	125	57.1 Å²	57.1	55%	0.548	28%	0.279	S	S	.	.	I	π-helix	trans	-80	-37.8	-176.8	-73.1	-74.5	0	0	0	113.5	I563 S564 P572	I563-F567 HydrophobicContact CG2-CD2 3.93Å; I563-F567 HydrophobicContact CG2-CE2 3.7Å; I563-F567 WeakPolarHBondContact O-CD2 3.22Å; I563-F567 PolarHBondContact O-N 3.5Å; S564-F567 PolarHBondContact O-N 2.95Å; F567-P572 VanDerWaalsContact O-CD 3.3Å; F567-P572 WeakPolarHBondContact O-CD 3.29Å
568	F	87.4	Confident	88	Confident	64 Å²	64	58.5 Å²	58.5	28%	0.281	29%	0.29	S	S	.	.	I	π-helix	trans	-98.9	-14	-172.8	-65.2	-67.6	0	0	0	114.8	S564 V646 C654	S564-F568 WeakPolarHBondContact O-CD2 3.49Å; S564-F568 PolarHBondContact O-N 3.16Å; F568-V646 HydrophobicContact CD1-CG1 4.31Å; F568-C654 HydrophobicContact CE2-CB 4.43Å; F568-C654 WeakPolarHBondContact CE2-SG 3.34Å; F568-C654 VanDerWaalsContact CZ-SG 3.58Å
569	V	85.8	Confident	88.1	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	26%	0.26	C	S	.	.	I	π-helix	trans	-115	-64.6	178.2	-176.8	0	0	0	0	110.6	S565 L571 P572 E573 L647 K651	S565-V569 WeakPolarHBondContact O-CA 3.42Å; S565-V569 VanDerWaalsContact O-CB 3.25Å; S565-V569 WeakPolarHBondContact O-CB 3.32Å; S565-V569 PolarHBondContact O-N 3.34Å; V569-L571 PolarHBondContact O-N 3.47Å; V569-P572 WeakPolarHBondContact O-CD 3.13Å; V569-E573 VanDerWaalsContact CG1-OE1 3.28Å; V569-E573 WeakPolarHBondContact CG1-OE1 3.36Å; V569-E573 WeakPolarHBondContact O-CB 3.26Å; V569-E573 VanDerWaalsContact O-CG 3.24Å; V569-E573 WeakPolarHBondContact O-CG 3.26Å; V569-E573 PolarHBondContact O-N 3.46Å; V569-E573 VanDerWaalsContact O-N 3.12Å; V569-L647 HydrophobicContact CB-CD1 4.25Å; V569-L647 HydrophobicContact CG1-CD1 4.05Å; V569-L647 HydrophobicContact CG2-CD1 4.42Å; V569-K651 HydrophobicContact CG2-CD 4.25Å
570	L	89.7	Confident	88.3	Confident	14 Å²	14	48.3 Å²	48.3	7%	0.073	25%	0.251	C	S	.	.	I	π-helix	trans	-61.1	-48.2	-174.2	169.6	70.7	0	0	0	113.1	V550 S553 F554 Y557 S565 I566 E573 L574	V550-L570 HydrophobicContact CG1-CD1 3.79Å; V550-L570 VanDerWaalsContact O-CD1 3.29Å; V550-L570 WeakPolarHBondContact O-CD1 3.3Å; S553-L570 WeakPolarHBondContact OG-CD1 3.47Å; F554-L570 HydrophobicContact CB-CD2 3.6Å; F554-L570 HydrophobicContact CD2-CD2 3.63Å; F554-L570 HydrophobicContact CG-CD2 4.08Å; Y557-L570 HydrophobicContact CD2-CB 4.38Å; Y557-L570 HydrophobicContact CE2-CB 4.29Å; S565-L570 PolarHBondContact O-N 3.44Å; S565-L570 VanDerWaalsContact O-N 3.14Å; I566-L570 HydrophobicContact CG2-CD2 4.32Å; L570-E573 PolarHBondContact O-N 2.96Å; L570-L574 WeakPolarHBondContact O-CB 3.4Å; L570-L574 PolarHBondContact O-N 2.92Å
571	L	90.4	Very high	88.5	Confident	99 Å²	99	44 Å²	44	52%	0.518	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-47.7	-174.8	-171.9	77.8	0	0	0	111.8	I566 V569 E573 F575	I566-L571 PolarHBondContact O-N 3.42Å; V569-L571 PolarHBondContact O-N 3.47Å; L571-E573 VanDerWaalsContact C-N 3.34Å; L571-E573 PolarHBondContact O-N 3.24Å; L571-F575 WeakPolarHBondContact O-CB 3.41Å; L571-F575 PolarHBondContact O-N 3.42Å
572	P	91.4	Very high	89	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-40.5	172.7	-28.8	37.2	0	0	0	114.1	F567 V569 F575 F576 V646 L647	F567-P572 VanDerWaalsContact O-CD 3.3Å; F567-P572 WeakPolarHBondContact O-CD 3.29Å; V569-P572 WeakPolarHBondContact O-CD 3.13Å; P572-F575 PolarHBondContact O-N 3.4Å; P572-F576 VanDerWaalsContact O-CB 3.24Å; P572-F576 WeakPolarHBondContact O-CB 3.03Å; P572-F576 PolarHBondContact O-N 2.92Å; P572-V646 HydrophobicContact CG-CB 4.37Å; P572-V646 HydrophobicContact CG-CG1 3.76Å; P572-L647 HydrophobicContact CB-CB 4.13Å
573	E	90.9	Very high	89.4	Confident	5 Å²	5	37.3 Å²	37.3	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-52.3	178.1	-81.5	-174.1	-167.8	0	0	112.6	V550 V569 L570 L571 F575 F576 M577 L647 H710 Y714	V550-E573 HydrophobicContact CG1-CB 4.42Å; V569-E573 VanDerWaalsContact CG1-OE1 3.28Å; V569-E573 WeakPolarHBondContact CG1-OE1 3.36Å; V569-E573 WeakPolarHBondContact O-CB 3.26Å; V569-E573 VanDerWaalsContact O-CG 3.24Å; V569-E573 WeakPolarHBondContact O-CG 3.26Å; V569-E573 PolarHBondContact O-N 3.46Å; V569-E573 VanDerWaalsContact O-N 3.12Å; L570-E573 PolarHBondContact O-N 2.96Å; L571-E573 VanDerWaalsContact C-N 3.34Å; L571-E573 PolarHBondContact O-N 3.24Å; E573-F575 VanDerWaalsContact C-N 3.28Å; E573-F575 PolarHBondContact O-N 3.46Å; E573-F576 PolarHBondContact O-N 3.33Å; E573-M577 PolarHBondContact O-N 2.99Å; E573-L647 HydrophobicContact CG-CD1 4.21Å; E573-L647 HydrophobicContact CG-CD2 4.1Å; E573-H710 IonicContact OE1-CE1 2.73Å; E573-H710 PolarHBondContact OE1-CE1 2.91Å; E573-H710 VanDerWaalsContact OE1-CE1 3.23Å; E573-Y714 HydrophobicContact CB-CE1 3.9Å; E573-Y714 HydrophobicContact CB-CE2 3.95Å; E573-Y714 VanDerWaalsContact CB-CZ 3.48Å; E573-Y714 WeakPolarHBondContact CB-OH 3.36Å; E573-Y714 HydrophobicContact CG-CD1 3.97Å; E573-Y714 HydrophobicContact CG-CD2 3.92Å; E573-Y714 HydrophobicContact CG-CE1 3.65Å; E573-Y714 HydrophobicContact CG-CE2 3.56Å; E573-Y714 HydrophobicContact CG-CG 4.12Å; E573-Y714 VanDerWaalsContact CG-CZ 3.44Å; E573-Y714 PolarHBondContact O-OH 2.79Å; E573-Y714 WeakPolarHBondContact OE2-CE2 3.46Å
574	L	91.8	Very high	89.8	Confident	42 Å²	42	33.1 Å²	33.1	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-43	177.4	-178.3	66.5	0	0	0	110.6	T547 V550 L570 M577 L578	T547-L574 HydrophobicContact CG2-CD1 3.87Å; V550-L574 HydrophobicContact CG1-CB 4.33Å; L570-L574 WeakPolarHBondContact O-CB 3.4Å; L570-L574 PolarHBondContact O-N 2.92Å; L574-M577 PolarHBondContact O-N 2.95Å; L574-L578 HydrophobicContact CD1-CD1 3.94Å; L574-L578 HydrophobicContact CD1-CG 4.16Å; L574-L578 HydrophobicContact CD2-CD1 4.47Å; L574-L578 HydrophobicContact CG-CD1 3.85Å; L574-L578 HydrophobicContact CG-CG 4.39Å; L574-L578 WeakPolarHBondContact O-CB 3.39Å; L574-L578 VanDerWaalsContact O-CG 3.32Å; L574-L578 WeakPolarHBondContact O-CG 3.42Å; L574-L578 PolarHBondContact O-N 3.42Å
575	F	91.6	Very high	90.3	Very high	71 Å²	71	32.2 Å²	32.2	31%	0.311	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-46	179.5	-169.7	-86.7	0	0	0	112	L571 P572 E573 M577 L578 C579 L639	L571-F575 WeakPolarHBondContact O-CB 3.41Å; L571-F575 PolarHBondContact O-N 3.42Å; P572-F575 PolarHBondContact O-N 3.4Å; E573-F575 VanDerWaalsContact C-N 3.28Å; E573-F575 PolarHBondContact O-N 3.46Å; F575-M577 PolarHBondContact O-N 3.1Å; F575-L578 PolarHBondContact O-N 3.49Å; F575-C579 HydrophobicContact CE1-CB 4.3Å; F575-C579 WeakPolarHBondContact CE1-SG 3.43Å; F575-C579 WeakPolarHBondContact CZ-SG 3.4Å; F575-C579 WeakPolarHBondContact O-CB 3.15Å; F575-C579 PolarHBondContact O-N 2.71Å; F575-C579 PolarHBondContact O-SG 3.31Å; F575-L639 HydrophobicContact CD1-CG 4.36Å; F575-L639 HydrophobicContact CE1-CB 3.7Å; F575-L639 HydrophobicContact CE1-CD1 4.46Å; F575-L639 HydrophobicContact CE1-CD2 3.69Å; F575-L639 HydrophobicContact CE1-CG 3.25Å; F575-L639 HydrophobicContact CE2-CD2 3.94Å; F575-L639 HydrophobicContact CE2-CG 4.32Å; F575-L639 HydrophobicContact CZ-CB 3.96Å; F575-L639 HydrophobicContact CZ-CD1 4.48Å; F575-L639 HydrophobicContact CZ-CD2 3.06Å; F575-L639 HydrophobicContact CZ-CG 3.24Å
576	F	92.9	Very high	90.7	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.088	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-48	175.7	-179.4	-96.6	0	0	0	111.8	P572 E573 L580 A640 V644 Y714 C715 C718	P572-F576 VanDerWaalsContact O-CB 3.24Å; P572-F576 WeakPolarHBondContact O-CB 3.03Å; P572-F576 PolarHBondContact O-N 2.92Å; E573-F576 PolarHBondContact O-N 3.33Å; F576-L580 HydrophobicContact CD2-CD1 4.31Å; F576-L580 HydrophobicContact CE1-CD1 4.12Å; F576-L580 HydrophobicContact CE2-CD1 3.77Å; F576-L580 HydrophobicContact CZ-CD1 3.66Å; F576-L580 PolarHBondContact O-N 3.35Å; F576-A640 HydrophobicContact CD2-CB 4.14Å; F576-V644 HydrophobicContact CD2-CG2 4.37Å; F576-V644 HydrophobicContact CE2-CG2 4.23Å; F576-Y714 HydrophobicContact CD1-CE1 4.16Å; F576-C715 HydrophobicContact CZ-CB 4.29Å; F576-C718 HydrophobicContact CE1-CB 4.17Å
577	M	91.3	Very high	91	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-46	179.7	-80.4	-67.5	-77.1	0	0	113	M546 E573 L574 F575 F581 G582 Y714 C718	M546-M577 HydrophobicContact CB-CE 3.96Å; M546-M577 HydrophobicContact CE-CE 3.99Å; M546-M577 HydrophobicContact SD-CE 4.18Å; E573-M577 PolarHBondContact O-N 2.99Å; L574-M577 PolarHBondContact O-N 2.95Å; F575-M577 PolarHBondContact O-N 3.1Å; M577-F581 HydrophobicContact CE-CD2 4.42Å; M577-F581 WeakPolarHBondContact O-CB 3.44Å; M577-F581 PolarHBondContact O-N 3.36Å; M577-F581 HydrophobicContact SD-CD2 3.75Å; M577-F581 HydrophobicContact SD-CE2 4.21Å; M577-G582 PolarHBondContact O-N 3.46Å; M577-G582 VanDerWaalsContact O-N 3.15Å; M577-Y714 HydrophobicContact CG-CE1 4.41Å; M577-Y714 WeakPolarHBondContact CG-OH 3.41Å; M577-C718 HydrophobicContact SD-CB 3.53Å; M577-C718 VanDerWaalsContact SD-CB 3.53Å; M577-C718 PolarHBondContact SD-SG 2.73Å
578	L	91.4	Very high	91.2	Very high	81 Å²	81	29.7 Å²	29.7	42%	0.424	15%	0.151	S	C	.	.	I	π-helix	trans	-68.1	-37	-179	-71.2	176.9	0	0	0	112.4	T547 L574 F575 G582 Y583	T547-L578 HydrophobicContact CG2-CD2 4.04Å; L574-L578 HydrophobicContact CD1-CD1 3.94Å; L574-L578 HydrophobicContact CD1-CG 4.16Å; L574-L578 HydrophobicContact CD2-CD1 4.47Å; L574-L578 HydrophobicContact CG-CD1 3.85Å; L574-L578 HydrophobicContact CG-CG 4.39Å; L574-L578 WeakPolarHBondContact O-CB 3.39Å; L574-L578 VanDerWaalsContact O-CG 3.32Å; L574-L578 WeakPolarHBondContact O-CG 3.42Å; L574-L578 PolarHBondContact O-N 3.42Å; F575-L578 PolarHBondContact O-N 3.49Å; L578-G582 CarbonylContact O-C 3.31Å; L578-G582 WeakPolarHBondContact O-CA 3.43Å; L578-G582 PolarHBondContact O-N 2.51Å; L578-G582 VanDerWaalsContact O-N 3.12Å; L578-Y583 PolarHBondContact O-N 3.45Å; L578-Y583 VanDerWaalsContact O-N 3.12Å
579	C	91.9	Very high	91.4	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.061	16%	0.155	C	C	.	.	I	π-helix	trans	-69	-40.4	-178.5	-72.7	0	0	0	0	113.7	F575 Y583 L636 A640	F575-C579 HydrophobicContact CE1-CB 4.3Å; F575-C579 WeakPolarHBondContact CE1-SG 3.43Å; F575-C579 WeakPolarHBondContact CZ-SG 3.4Å; F575-C579 WeakPolarHBondContact O-CB 3.15Å; F575-C579 PolarHBondContact O-N 2.71Å; F575-C579 PolarHBondContact O-SG 3.31Å; C579-Y583 WeakPolarHBondContact O-CB 3.29Å; C579-L636 HydrophobicContact CB-CD2 4.12Å; C579-A640 HydrophobicContact CB-CB 4.28Å
580	L	90.4	Very high	91.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.164	C	C	.	.	I	π-helix	trans	-87	-57.9	-179	-60.6	178.8	0	0	0	111.1	F576 L584 M613 F614 V637 A640	F576-L580 HydrophobicContact CD2-CD1 4.31Å; F576-L580 HydrophobicContact CE1-CD1 4.12Å; F576-L580 HydrophobicContact CE2-CD1 3.77Å; F576-L580 HydrophobicContact CZ-CD1 3.66Å; F576-L580 PolarHBondContact O-N 3.35Å; L580-L584 PolarHBondContact O-N 3.27Å; L580-M613 HydrophobicContact CD2-CE 4.04Å; L580-F614 HydrophobicContact CD1-CE1 4.04Å; L580-F614 HydrophobicContact CD1-CZ 4.02Å; L580-F614 HydrophobicContact CD2-CE1 3.76Å; L580-F614 HydrophobicContact CD2-CZ 3.8Å; L580-F614 HydrophobicContact CG-CE1 4.49Å; L580-F614 HydrophobicContact CG-CZ 4.32Å; L580-V637 HydrophobicContact CD2-CG2 4.46Å; L580-A640 HydrophobicContact CD1-CB 4.35Å; L580-A640 HydrophobicContact CD2-CB 4.01Å; L580-A640 HydrophobicContact CG-CB 4.03Å
581	F	91.5	Very high	91.7	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.031	17%	0.169	C	C	.	.	I	π-helix	trans	-90.6	-35.2	-171	-62.7	-69.3	0	0	0	112.5	I543 M577 Y583 L584 V585 F610 C718 I719 T722	I543-F581 HydrophobicContact CD1-CB 3.79Å; I543-F581 HydrophobicContact CG1-CB 3.98Å; I543-F581 HydrophobicContact CG2-CB 4.13Å; M577-F581 HydrophobicContact CE-CD2 4.42Å; M577-F581 WeakPolarHBondContact O-CB 3.44Å; M577-F581 PolarHBondContact O-N 3.36Å; M577-F581 HydrophobicContact SD-CD2 3.75Å; M577-F581 HydrophobicContact SD-CE2 4.21Å; F581-Y583 PolarHBondContact O-N 3.23Å; F581-L584 WeakPolarHBondContact O-CB 3.47Å; F581-L584 PolarHBondContact O-N 3.38Å; F581-L584 VanDerWaalsContact O-N 3.1Å; F581-V585 PolarHBondContact O-N 3.28Å; F581-F610 HydrophobicContact CD1-CZ 4.31Å; F581-F610 AromaticContact CE1-CZ 4Å; F581-F610 HydrophobicContact CE1-CZ 4Å; F581-C718 HydrophobicContact CE2-CB 4.27Å; F581-I719 HydrophobicContact CZ-CB 4.37Å; F581-I719 HydrophobicContact CZ-CG1 3.97Å; F581-T722 HydrophobicContact CD1-CG2 3.73Å; F581-T722 HydrophobicContact CE1-CG2 3.87Å; F581-T722 HydrophobicContact CG-CG2 4.46Å
582	G	92.4	Very high	91.7	Very high	21 Å²	21	33.9 Å²	33.9	22%	0.216	17%	0.166	C	C	.	.	I	π-helix	trans	-59.1	-39.4	170.4	0	0	0	0	0	111.9	M577 L578 V585 F586	M577-G582 PolarHBondContact O-N 3.46Å; M577-G582 VanDerWaalsContact O-N 3.15Å; L578-G582 CarbonylContact O-C 3.31Å; L578-G582 WeakPolarHBondContact O-CA 3.43Å; L578-G582 PolarHBondContact O-N 2.51Å; L578-G582 VanDerWaalsContact O-N 3.12Å; G582-V585 PolarHBondContact O-N 2.9Å; G582-F586 PolarHBondContact O-N 2.72Å
583	Y	92.6	Very high	91.6	Very high	15 Å²	15	39.8 Å²	39.8	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-36.1	173	-175.2	-109.8	0	0	0	113.1	L578 C579 F581 V585 F586 M587 M613 Y626 V632 Q633 L636	L578-Y583 PolarHBondContact O-N 3.45Å; L578-Y583 VanDerWaalsContact O-N 3.12Å; C579-Y583 WeakPolarHBondContact O-CB 3.29Å; F581-Y583 PolarHBondContact O-N 3.23Å; Y583-V585 VanDerWaalsContact C-N 3.34Å; Y583-V585 PolarHBondContact O-N 2.89Å; Y583-F586 AromaticContact CD2-CD1 3.99Å; Y583-F586 HydrophobicContact CD2-CD1 3.99Å; Y583-F586 AromaticContact CE2-CD1 3.81Å; Y583-F586 HydrophobicContact CE2-CD1 3.81Å; Y583-F586 HydrophobicContact CE2-CE1 4.25Å; Y583-F586 WeakPolarHBondContact O-CB 3.49Å; Y583-F586 PolarHBondContact O-N 3.2Å; Y583-M587 HydrophobicContact CD1-CE 3.72Å; Y583-M587 HydrophobicContact CD1-CG 4.2Å; Y583-M587 HydrophobicContact CD1-SD 4.07Å; Y583-M587 HydrophobicContact CE1-CE 3.69Å; Y583-M587 HydrophobicContact CE1-CG 3.72Å; Y583-M587 HydrophobicContact CE1-SD 3.42Å; Y583-M587 WeakPolarHBondContact CE1-SD 3.38Å; Y583-M587 HydrophobicContact CE2-CG 4.39Å; Y583-M587 WeakPolarHBondContact O-CG 3.11Å; Y583-M587 PolarHBondContact O-N 3.12Å; Y583-M613 HydrophobicContact CD1-SD 4Å; Y583-M613 HydrophobicContact CE1-SD 4.34Å; Y583-Y626 WeakPolarHBondContact OH-CE1 3.08Å; Y583-Y626 PolarHBondContact OH-OH 2.97Å; Y583-V632 HydrophobicContact CE2-CG1 4.32Å; Y583-Q633 HydrophobicContact CE1-CG 3.77Å; Y583-L636 HydrophobicContact CD1-CD1 4.18Å; Y583-L636 HydrophobicContact CD2-CD1 3.57Å; Y583-L636 HydrophobicContact CE2-CD1 4.08Å; Y583-L636 HydrophobicContact CG-CD1 3.64Å
584	L	91.4	Very high	91.3	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.12	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-43.6	172.5	179.6	63.6	0	0	0	111.8	V539 L580 F581 F586 M587 V588 I606 F610	V539-L584 HydrophobicContact CG1-CD2 3.94Å; L580-L584 PolarHBondContact O-N 3.27Å; F581-L584 WeakPolarHBondContact O-CB 3.47Å; F581-L584 PolarHBondContact O-N 3.38Å; F581-L584 VanDerWaalsContact O-N 3.1Å; L584-F586 VanDerWaalsContact C-N 3.34Å; L584-M587 HydrophobicContact CB-CE 4.49Å; L584-M587 HydrophobicContact CD1-CE 3.97Å; L584-M587 PolarHBondContact O-N 3.29Å; L584-V588 WeakPolarHBondContact O-CG2 3.41Å; L584-V588 PolarHBondContact O-N 3.34Å; L584-V588 VanDerWaalsContact O-N 3.11Å; L584-I606 HydrophobicContact CD1-CG2 3.72Å; L584-F610 HydrophobicContact CB-CD2 4.35Å; L584-F610 HydrophobicContact CB-CE2 4.18Å; L584-F610 HydrophobicContact CD1-CB 4.47Å; L584-F610 HydrophobicContact CD1-CD2 4Å; L584-F610 HydrophobicContact CD1-CE2 4.5Å; L584-F610 HydrophobicContact CD1-CG 4.29Å; L584-F610 HydrophobicContact CD2-CE2 4.28Å; L584-F610 HydrophobicContact CD2-CZ 4.41Å
585	V	93.1	Very high	91.1	Very high	27 Å²	27	42.6 Å²	42.6	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-44.8	174.2	173.6	0	0	0	0	110.8	I540 I543 F581 G582 Y583 M587 V588 V589	I540-V585 HydrophobicContact CG1-CG1 4.21Å; I540-V585 HydrophobicContact CG1-CG2 4.42Å; I540-V585 HydrophobicContact CG2-CG1 4.33Å; I543-V585 HydrophobicContact CB-CG2 3.94Å; I543-V585 HydrophobicContact CD1-CG2 3.53Å; I543-V585 HydrophobicContact CG1-CG2 4.33Å; I543-V585 HydrophobicContact CG2-CG2 3.95Å; F581-V585 PolarHBondContact O-N 3.28Å; G582-V585 PolarHBondContact O-N 2.9Å; Y583-V585 VanDerWaalsContact C-N 3.34Å; Y583-V585 PolarHBondContact O-N 2.89Å; V585-M587 PolarHBondContact O-N 3.19Å; V585-V588 PolarHBondContact O-N 2.71Å; V585-V589 HydrophobicContact CG1-CG2 4.38Å; V585-V589 WeakPolarHBondContact O-CG2 3.39Å; V585-V589 PolarHBondContact O-N 3.38Å
586	F	93.4	Very high	90.6	Very high	99 Å²	99	42.6 Å²	42.6	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-57.6	-46.8	176.1	172.4	-99.7	0	0	0	112.1	G582 Y583 L584 V588 V589 F590 Y626	G582-F586 PolarHBondContact O-N 2.72Å; Y583-F586 AromaticContact CD2-CD1 3.99Å; Y583-F586 HydrophobicContact CD2-CD1 3.99Å; Y583-F586 AromaticContact CE2-CD1 3.81Å; Y583-F586 HydrophobicContact CE2-CD1 3.81Å; Y583-F586 HydrophobicContact CE2-CE1 4.25Å; Y583-F586 WeakPolarHBondContact O-CB 3.49Å; Y583-F586 PolarHBondContact O-N 3.2Å; L584-F586 VanDerWaalsContact C-N 3.34Å; F586-V588 VanDerWaalsContact C-N 3.3Å; F586-V588 PolarHBondContact O-N 3.07Å; F586-V589 PolarHBondContact O-N 2.86Å; F586-F590 HydrophobicContact CZ-CD2 4.06Å; F586-F590 WeakPolarHBondContact O-CB 3.28Å; F586-F590 PolarHBondContact O-N 2.84Å; F586-Y626 HydrophobicContact CE1-CE1 4.14Å
587	M	91.3	Very high	90	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-38.8	177.3	-72.5	-169.4	-71.2	0	0	112.6	Y583 L584 V585 K591 I606 H609 F610 L625	Y583-M587 HydrophobicContact CD1-CE 3.72Å; Y583-M587 HydrophobicContact CD1-CG 4.2Å; Y583-M587 HydrophobicContact CD1-SD 4.07Å; Y583-M587 HydrophobicContact CE1-CE 3.69Å; Y583-M587 HydrophobicContact CE1-CG 3.72Å; Y583-M587 HydrophobicContact CE1-SD 3.42Å; Y583-M587 WeakPolarHBondContact CE1-SD 3.38Å; Y583-M587 HydrophobicContact CE2-CG 4.39Å; Y583-M587 WeakPolarHBondContact O-CG 3.11Å; Y583-M587 PolarHBondContact O-N 3.12Å; L584-M587 HydrophobicContact CB-CE 4.49Å; L584-M587 HydrophobicContact CD1-CE 3.97Å; L584-M587 PolarHBondContact O-N 3.29Å; V585-M587 PolarHBondContact O-N 3.19Å; M587-K591 WeakPolarHBondContact O-CB 3.21Å; M587-K591 PolarHBondContact O-N 3.46Å; M587-I606 HydrophobicContact CB-CG2 4.28Å; M587-I606 HydrophobicContact CE-CG2 4.41Å; M587-H609 HydrophobicContact SD-CB 4.41Å; M587-F610 HydrophobicContact CE-CD2 4.31Å; M587-L625 HydrophobicContact CB-CD2 4.33Å; M587-L625 HydrophobicContact CG-CD2 4.41Å
588	V	92.2	Very high	89.5	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-49.7	177.6	172.3	0	0	0	0	111.2	K536 I540 L584 V585 F586 K591 W592 I606	K536-V588 HydrophobicContact CB-CG1 3.97Å; K536-V588 HydrophobicContact CD-CG1 4Å; K536-V588 HydrophobicContact CG-CG1 4.08Å; I540-V588 HydrophobicContact CD1-CG1 3.88Å; L584-V588 WeakPolarHBondContact O-CG2 3.41Å; L584-V588 PolarHBondContact O-N 3.34Å; L584-V588 VanDerWaalsContact O-N 3.11Å; V585-V588 PolarHBondContact O-N 2.71Å; F586-V588 VanDerWaalsContact C-N 3.3Å; F586-V588 PolarHBondContact O-N 3.07Å; V588-K591 PolarHBondContact O-N 3.32Å; V588-W592 HydrophobicContact CG1-CD2 4.29Å; V588-W592 HydrophobicContact CG1-CE3 4.32Å; V588-W592 HydrophobicContact CG1-CH2 4.18Å; V588-W592 HydrophobicContact CG1-CZ2 4.15Å; V588-W592 HydrophobicContact CG1-CZ3 4.27Å; V588-W592 PolarHBondContact O-N 3.04Å; V588-I606 HydrophobicContact CB-CD1 4.34Å; V588-I606 HydrophobicContact CG2-CD1 3.78Å; V588-I606 HydrophobicContact CG2-CG2 4.46Å
589	V	92.2	Very high	89	Confident	59 Å²	59	47.9 Å²	47.9	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-42.5	-179.4	175.5	0	0	0	0	110.8	V585 F586 K591 W592 I593	V585-V589 HydrophobicContact CG1-CG2 4.38Å; V585-V589 WeakPolarHBondContact O-CG2 3.39Å; V585-V589 PolarHBondContact O-N 3.38Å; F586-V589 PolarHBondContact O-N 2.86Å; V589-K591 VanDerWaalsContact C-N 3.35Å; V589-K591 PolarHBondContact O-N 3.15Å; V589-W592 PolarHBondContact O-N 3.19Å; V589-W592 VanDerWaalsContact O-N 3.16Å; V589-I593 HydrophobicContact CG1-CD1 3.92Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.49Å
590	F	91.6	Very high	88.4	Confident	48 Å²	48	51.4 Å²	51.4	21%	0.211	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-45.5	176.6	-174.1	-89.1	0	0	0	111.5	F586 W592 I593 V594 L625	F586-F590 HydrophobicContact CZ-CD2 4.06Å; F586-F590 WeakPolarHBondContact O-CB 3.28Å; F586-F590 PolarHBondContact O-N 2.84Å; F590-W592 VanDerWaalsContact C-N 3.26Å; F590-W592 PolarHBondContact O-N 3.37Å; F590-I593 PolarHBondContact O-N 3.49Å; F590-I593 VanDerWaalsContact O-N 3.15Å; F590-V594 HydrophobicContact CD1-CG2 4.11Å; F590-V594 HydrophobicContact CD2-CG2 4.23Å; F590-V594 HydrophobicContact CE1-CB 4.16Å; F590-V594 HydrophobicContact CE1-CG1 4.41Å; F590-V594 HydrophobicContact CE1-CG2 3.74Å; F590-V594 HydrophobicContact CE2-CG2 3.86Å; F590-V594 HydrophobicContact CG-CG2 4.35Å; F590-V594 HydrophobicContact CZ-CB 4.44Å; F590-V594 HydrophobicContact CZ-CG2 3.61Å; F590-V594 PolarHBondContact O-N 2.93Å; F590-V594 VanDerWaalsContact O-N 3.09Å; F590-L625 HydrophobicContact CD1-CB 4.26Å; F590-L625 HydrophobicContact CD1-CD2 4.16Å; F590-L625 HydrophobicContact CE1-CB 4.11Å; F590-L625 WeakPolarHBondContact CE1-O 3.45Å
591	K	90.3	Very high	87.9	Confident	43 Å²	43	62.8 Å²	62.8	19%	0.187	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-36.2	177	-177.1	173.9	-178.1	171.9	0	112.4	M587 V588 V589 I593 Y595 P604 I606	M587-K591 WeakPolarHBondContact O-CB 3.21Å; M587-K591 PolarHBondContact O-N 3.46Å; V588-K591 PolarHBondContact O-N 3.32Å; V589-K591 VanDerWaalsContact C-N 3.35Å; V589-K591 PolarHBondContact O-N 3.15Å; K591-I593 VanDerWaalsContact C-N 3.32Å; K591-Y595 HydrophobicContact CB-CD2 4.41Å; K591-Y595 HydrophobicContact CG-CD2 3.84Å; K591-Y595 HydrophobicContact CG-CE2 4.31Å; K591-P604 PolarHBondContact NZ-O 2.93Å; K591-I606 HydrophobicContact CB-CD1 4.24Å; K591-I606 HydrophobicContact CD-CD1 3.78Å; K591-I606 HydrophobicContact CD-CG1 3.87Å
592	W	89.4	Confident	87.4	Confident	120 Å²	120	67.6 Å²	67.6	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-69.1	-27.4	178.2	-77.1	-25.9	0	0	0	113.9	Y533 K536 I540 V588 V589 F590	Y533-W592 HydrophobicContact CD2-CZ2 4.38Å; K536-W592 HydrophobicContact CB-CH2 4.22Å; K536-W592 HydrophobicContact CB-CZ2 3.8Å; K536-W592 HydrophobicContact CD-CZ2 3.92Å; I540-W592 HydrophobicContact CD1-CH2 3.83Å; I540-W592 HydrophobicContact CD1-CZ3 3.72Å; V588-W592 HydrophobicContact CG1-CD2 4.29Å; V588-W592 HydrophobicContact CG1-CE3 4.32Å; V588-W592 HydrophobicContact CG1-CH2 4.18Å; V588-W592 HydrophobicContact CG1-CZ2 4.15Å; V588-W592 HydrophobicContact CG1-CZ3 4.27Å; V588-W592 PolarHBondContact O-N 3.04Å; V589-W592 PolarHBondContact O-N 3.19Å; V589-W592 VanDerWaalsContact O-N 3.16Å; F590-W592 VanDerWaalsContact C-N 3.26Å; F590-W592 PolarHBondContact O-N 3.37Å
593	I	89.1	Confident	87.1	Confident	132 Å²	132	68.3 Å²	68.3	68%	0.677	35%	0.351	S	S	*	.	H	α-helix	trans	-89.8	-40.4	-176.4	-63.1	168.2	0	0	0	111.7	V589 F590 K591	V589-I593 HydrophobicContact CG1-CD1 3.92Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.49Å; F590-I593 PolarHBondContact O-N 3.49Å; F590-I593 VanDerWaalsContact O-N 3.15Å; K591-I593 VanDerWaalsContact C-N 3.32Å
594	V	86.6	Confident	86.8	Confident	59 Å²	59	67.7 Å²	67.7	36%	0.358	35%	0.349	S	S	.	.	H	α-helix	trans	-87.3	-42.2	-166.7	176.2	0	0	0	0	113.4	F590 T596	F590-V594 HydrophobicContact CD1-CG2 4.11Å; F590-V594 HydrophobicContact CD2-CG2 4.23Å; F590-V594 HydrophobicContact CE1-CB 4.16Å; F590-V594 HydrophobicContact CE1-CG1 4.41Å; F590-V594 HydrophobicContact CE1-CG2 3.74Å; F590-V594 HydrophobicContact CE2-CG2 3.86Å; F590-V594 HydrophobicContact CG-CG2 4.35Å; F590-V594 HydrophobicContact CZ-CB 4.44Å; F590-V594 HydrophobicContact CZ-CG2 3.61Å; F590-V594 PolarHBondContact O-N 2.93Å; F590-V594 VanDerWaalsContact O-N 3.09Å; V594-T596 PolarHBondContact O-N 3.3Å
595	Y	86.1	Confident	86.6	Confident	47 Å²	47	69 Å²	69	18%	0.184	36%	0.36	C	S	.	.			trans	-81.9	118.6	-172.2	-70.7	-85	0	0	0	111.8	K591 E599 A603 P604	K591-Y595 HydrophobicContact CB-CD2 4.41Å; K591-Y595 HydrophobicContact CG-CD2 3.84Å; K591-Y595 HydrophobicContact CG-CE2 4.31Å; Y595-E599 HydrophobicContact CD1-CB 4.4Å; Y595-A603 HydrophobicContact CD1-CB 4.03Å; Y595-A603 HydrophobicContact CE1-CB 4.45Å; Y595-A603 HydrophobicContact CG-CB 4.38Å; Y595-P604 HydrophobicContact CE2-CG 4.25Å; Y595-P604 WeakPolarHBondContact OH-CD 3.43Å; Y595-P604 WeakPolarHBondContact OH-CG 3.25Å
596	T	82.6	Confident	86.4	Confident	71 Å²	71	68.5 Å²	68.5	44%	0.436	36%	0.357	S	S	.	.			trans	-97.2	167.2	175.3	65	0	0	0	0	111.5	V594 A598 E599 S600	V594-T596 PolarHBondContact O-N 3.3Å; T596-A598 PolarHBondContact O-N 2.92Å; T596-A598 VanDerWaalsContact O-N 3.14Å; T596-E599 PolarHBondContact O-N 3.37Å; T596-S600 PolarHBondContact O-N 3.43Å
597	P	80.3	Confident	86.1	Confident	54 Å²	54	69.5 Å²	69.5	35%	0.351	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.5	178.5	-27.9	36.1	0	0	0	114.8	P502 E599 S600	P502-P597 HydrophobicContact CB-CB 3.85Å; P502-P597 HydrophobicContact CB-CG 4.01Å; P502-P597 HydrophobicContact CG-CB 3.81Å; P502-P597 HydrophobicContact CG-CG 4.4Å; P597-E599 VanDerWaalsContact C-N 3.27Å; P597-E599 PolarHBondContact O-N 2.94Å; P597-S600 WeakPolarHBondContact O-CB 3.23Å; P597-S600 PolarHBondContact O-N 3.05Å; P597-S600 PolarHBondContact O-OG 3.35Å
598	A	79.3	Confident	86	Confident	69 Å²	69	72.7 Å²	72.7	57%	0.57	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-64.9	-29	178.4	0	0	0	0	0	113.1	T596	T596-A598 PolarHBondContact O-N 2.92Å; T596-A598 VanDerWaalsContact O-N 3.14Å
599	E	81.3	Confident	85.8	Confident	91 Å²	91	73 Å²	73	43%	0.425	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-103.3	8.4	-176.1	-64	171.1	165.4	0	0	112.5	Y595 T596 P597 R601 I602 A603	Y595-E599 HydrophobicContact CD1-CB 4.4Å; T596-E599 PolarHBondContact O-N 3.37Å; P597-E599 VanDerWaalsContact C-N 3.27Å; P597-E599 PolarHBondContact O-N 2.94Å; E599-R601 PolarHBondContact O-N 3.05Å; E599-R601 VanDerWaalsContact O-N 3.11Å; E599-I602 PolarHBondContact O-N 2.94Å; E599-A603 PolarHBondContact O-N 3.5Å
600	S	79.4	Confident	85.6	Confident	83 Å²	83	71.8 Å²	71.8	58%	0.58	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-55.1	-32.5	-174.5	55.7	0	0	0	0	114.3	T596 P597 I602 A603	T596-S600 PolarHBondContact O-N 3.43Å; P597-S600 WeakPolarHBondContact O-CB 3.23Å; P597-S600 PolarHBondContact O-N 3.05Å; P597-S600 PolarHBondContact O-OG 3.35Å; S600-I602 VanDerWaalsContact C-N 3.27Å; S600-I602 PolarHBondContact O-N 3.43Å; S600-A603 WeakPolarHBondContact O-CB 3.35Å; S600-A603 PolarHBondContact O-N 3.04Å
601	R	79.6	Confident	85.5	Confident	243 Å²	243	73.8 Å²	73.8	92%	0.917	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-66.7	-27.2	178.2	-173.3	176.3	177.1	-177	-0.4	113.4	E599	E599-R601 PolarHBondContact O-N 3.05Å; E599-R601 VanDerWaalsContact O-N 3.11Å
602	I	82.6	Confident	85.4	Confident	107 Å²	107	72.6 Å²	72.6	55%	0.549	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-100.4	-2.3	-175	-51.4	172.3	0	0	0	109.9	E599 S600 P604 P623	E599-I602 PolarHBondContact O-N 2.94Å; S600-I602 VanDerWaalsContact C-N 3.27Å; S600-I602 PolarHBondContact O-N 3.43Å; I602-P604 VanDerWaalsContact O-CD 3.28Å; I602-P604 WeakPolarHBondContact O-CD 3.47Å; I602-P623 HydrophobicContact CG2-CB 4.17Å; I602-P623 HydrophobicContact CG2-CG 3.66Å; I602-P623 WeakPolarHBondContact O-CG 3.5Å
603	A	84.5	Confident	85.3	Confident	36 Å²	36	67.1 Å²	67.1	30%	0.298	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-66.1	116.1	-173.6	0	0	0	0	0	112	Y595 E599 S600	Y595-A603 HydrophobicContact CD1-CB 4.03Å; Y595-A603 HydrophobicContact CE1-CB 4.45Å; Y595-A603 HydrophobicContact CG-CB 4.38Å; E599-A603 PolarHBondContact O-N 3.5Å; S600-A603 WeakPolarHBondContact O-CB 3.35Å; S600-A603 PolarHBondContact O-N 3.04Å
604	P	86.1	Confident	85.2	Confident	2 Å²	2	65 Å²	65	1%	0.013	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-74	155.7	-171.2	25.3	-31.7	0	0	0	113.8	K591 Y595 I602 H609 N622 P623 L625	K591-P604 PolarHBondContact NZ-O 2.93Å; Y595-P604 HydrophobicContact CE2-CG 4.25Å; Y595-P604 WeakPolarHBondContact OH-CD 3.43Å; Y595-P604 WeakPolarHBondContact OH-CG 3.25Å; I602-P604 VanDerWaalsContact O-CD 3.28Å; I602-P604 WeakPolarHBondContact O-CD 3.47Å; P604-H609 WeakPolarHBondContact CB-CE1 3.49Å; P604-N622 WeakPolarHBondContact CA-OD1 3.46Å; P604-N622 WeakPolarHBondContact CB-OD1 3.3Å; P604-P623 HydrophobicContact CB-CG 4.41Å; P604-P623 WeakPolarHBondContact CB-O 3.15Å; P604-L625 HydrophobicContact CB-CD1 4.04Å; P604-L625 HydrophobicContact CG-CD1 3.47Å; P604-L625 VanDerWaalsContact CG-CD1 3.47Å; P604-L625 HydrophobicContact CG-CG 3.84Å
605	S	88.4	Confident	85.2	Confident	50 Å²	50	67.7 Å²	67.7	35%	0.35	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-81.5	125.8	171.8	-176.4	0	0	0	0	110.9	H609 N622	S605-H609 PolarHBondContact O-N 3.43Å; S605-H609 PolarHBondContact O-ND1 3.49Å; S605-N622 PolarHBondContact N-OD1 3.3Å; S605-N622 VanDerWaalsContact N-OD1 3.09Å; S605-N622 PolarHBondContact O-ND2 3.14Å
606	I	88.1	Confident	85.1	Confident	18 Å²	18	70.6 Å²	70.6	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-69.4	-36.6	179.1	-58	175.7	0	0	0	110.6	L584 M587 V588 K591 I608 H609 F610	L584-I606 HydrophobicContact CD1-CG2 3.72Å; M587-I606 HydrophobicContact CB-CG2 4.28Å; M587-I606 HydrophobicContact CE-CG2 4.41Å; V588-I606 HydrophobicContact CB-CD1 4.34Å; V588-I606 HydrophobicContact CG2-CD1 3.78Å; V588-I606 HydrophobicContact CG2-CG2 4.46Å; K591-I606 HydrophobicContact CB-CD1 4.24Å; K591-I606 HydrophobicContact CD-CD1 3.78Å; K591-I606 HydrophobicContact CD-CG1 3.87Å; I606-I608 PolarHBondContact O-N 2.94Å; I606-H609 PolarHBondContact O-N 3.02Å; I606-F610 WeakPolarHBondContact O-CB 3.46Å; I606-F610 PolarHBondContact O-N 3.28Å
607	L	87.4	Confident	85.1	Confident	119 Å²	119	70 Å²	70	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-63.5	-44.5	-178.5	-178.2	65.9	0	0	0	111.4	F610 I611	L607-F610 PolarHBondContact O-N 2.93Å; L607-I611 HydrophobicContact CD1-CD1 4.42Å; L607-I611 HydrophobicContact CG-CD1 4.08Å; L607-I611 WeakPolarHBondContact O-CG1 3.15Å; L607-I611 PolarHBondContact O-N 3.4Å
608	I	88.7	Confident	84.8	Confident	68 Å²	68	72.1 Å²	72.1	35%	0.349	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-46.3	178.4	-63	174.5	0	0	0	109.8	I606 F610 I611 D612 N622	I606-I608 PolarHBondContact O-N 2.94Å; I608-F610 PolarHBondContact O-N 2.95Å; I608-I611 PolarHBondContact O-N 3.36Å; I608-I611 VanDerWaalsContact O-N 3.1Å; I608-D612 VanDerWaalsContact CG2-OD2 3.29Å; I608-D612 WeakPolarHBondContact CG2-OD2 3.39Å; I608-D612 WeakPolarHBondContact O-CB 3.28Å; I608-D612 VanDerWaalsContact O-CG 3.23Å; I608-D612 PolarHBondContact O-N 3.35Å; I608-N622 WeakPolarHBondContact CB-ND2 3.11Å; I608-N622 WeakPolarHBondContact CG2-ND2 3.35Å
609	H	88.1	Confident	84.6	Confident	13 Å²	13	72.1 Å²	72.1	6%	0.06	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-33.1	174.9	-80.9	98.9	0	0	0	113.8	M587 P604 S605 I606 M613 N622 P623 Q629 Q633	M587-H609 HydrophobicContact SD-CB 4.41Å; P604-H609 WeakPolarHBondContact CB-CE1 3.49Å; S605-H609 PolarHBondContact O-N 3.43Å; S605-H609 PolarHBondContact O-ND1 3.49Å; I606-H609 PolarHBondContact O-N 3.02Å; H609-M613 VanDerWaalsContact O-CB 3.3Å; H609-M613 WeakPolarHBondContact O-CB 3.31Å; H609-M613 PolarHBondContact O-N 3.38Å; H609-M613 VanDerWaalsContact O-N 3.12Å; H609-N622 PolarHBondContact CE1-ND2 3.41Å; H609-N622 PolarHBondContact CE1-OD1 3.38Å; H609-N622 PolarHBondContact ND1-ND2 3.09Å; H609-N622 VanDerWaalsContact ND1-ND2 3.11Å; H609-P623 PolarHBondContact CE1-O 2.95Å; H609-P623 VanDerWaalsContact CE1-O 3.3Å; H609-P623 PolarHBondContact NE2-O 3.35Å; H609-Q629 PolarHBondContact CD2-NE2 3.48Å; H609-Q633 PolarHBondContact O-NE2 3.08Å
610	F	88.8	Confident	84.2	Confident	35 Å²	35	74 Å²	74	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-75.1	-36.5	177	-172.3	-108	0	0	0	112.2	F581 L584 M587 I606 L607 I608 M613 F614	F581-F610 HydrophobicContact CD1-CZ 4.31Å; F581-F610 AromaticContact CE1-CZ 4Å; F581-F610 HydrophobicContact CE1-CZ 4Å; L584-F610 HydrophobicContact CB-CD2 4.35Å; L584-F610 HydrophobicContact CB-CE2 4.18Å; L584-F610 HydrophobicContact CD1-CB 4.47Å; L584-F610 HydrophobicContact CD1-CD2 4Å; L584-F610 HydrophobicContact CD1-CE2 4.5Å; L584-F610 HydrophobicContact CD1-CG 4.29Å; L584-F610 HydrophobicContact CD2-CE2 4.28Å; L584-F610 HydrophobicContact CD2-CZ 4.41Å; M587-F610 HydrophobicContact CE-CD2 4.31Å; I606-F610 WeakPolarHBondContact O-CB 3.46Å; I606-F610 PolarHBondContact O-N 3.28Å; L607-F610 PolarHBondContact O-N 2.93Å; I608-F610 PolarHBondContact O-N 2.95Å; F610-M613 HydrophobicContact CD2-CE 3.67Å; F610-M613 HydrophobicContact CE2-CE 3.61Å; F610-M613 WeakPolarHBondContact O-CB 3.42Å; F610-F614 HydrophobicContact CD1-CE2 4.27Å; F610-F614 HydrophobicContact CD2-CE2 4.44Å; F610-F614 HydrophobicContact CE1-CD2 4.46Å; F610-F614 AromaticContact CE1-CE2 3.73Å; F610-F614 HydrophobicContact CE1-CE2 3.73Å; F610-F614 AromaticContact CE2-CE2 3.92Å; F610-F614 HydrophobicContact CE2-CE2 3.92Å; F610-F614 AromaticContact CZ-CE2 3.55Å; F610-F614 HydrophobicContact CZ-CE2 3.55Å; F610-F614 HydrophobicContact CZ-CZ 4.2Å; F610-F614 VanDerWaalsContact O-CD2 3.29Å; F610-F614 WeakPolarHBondContact O-CD2 3.5Å
611	I	89.4	Confident	83.8	Confident	89 Å²	89	79.1 Å²	79.1	46%	0.456	40%	0.402	S	S	.	.	H	α-helix	trans	-68.5	-47.9	174.2	-66.6	165.7	0	0	0	110.3	L607 I608 M613 F614 L615	L607-I611 HydrophobicContact CD1-CD1 4.42Å; L607-I611 HydrophobicContact CG-CD1 4.08Å; L607-I611 WeakPolarHBondContact O-CG1 3.15Å; L607-I611 PolarHBondContact O-N 3.4Å; I608-I611 PolarHBondContact O-N 3.36Å; I608-I611 VanDerWaalsContact O-N 3.1Å; I611-M613 PolarHBondContact O-N 3.12Å; I611-F614 PolarHBondContact O-N 3.06Å; I611-L615 PolarHBondContact O-N 3.02Å
612	D	88.1	Confident	83.8	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-34.2	179.6	-71.6	-13	0	0	0	111.8	I608 F614 L615 F616 T617 N619	I608-D612 VanDerWaalsContact CG2-OD2 3.29Å; I608-D612 WeakPolarHBondContact CG2-OD2 3.39Å; I608-D612 WeakPolarHBondContact O-CB 3.28Å; I608-D612 VanDerWaalsContact O-CG 3.23Å; I608-D612 PolarHBondContact O-N 3.35Å; D612-F614 VanDerWaalsContact C-N 3.32Å; D612-F614 PolarHBondContact O-N 3.1Å; D612-L615 PolarHBondContact O-N 2.92Å; D612-F616 PolarHBondContact O-N 3.37Å; D612-T617 WeakPolarHBondContact CB-O 3.32Å; D612-T617 PolarHBondContact O-N 3.33Å; D612-N619 PolarHBondContact OD1-ND2 3.19Å; D612-N619 PolarHBondContact OD2-ND2 3.12Å
613	M	87.9	Confident	83.8	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.025	35%	0.353	C	S	.	.	H	α-helix	trans	-57.1	-42	173.4	179.1	-176.6	80.1	0	0	112.2	L580 Y583 H609 F610 I611 Q633 V637	L580-M613 HydrophobicContact CD2-CE 4.04Å; Y583-M613 HydrophobicContact CD1-SD 4Å; Y583-M613 HydrophobicContact CE1-SD 4.34Å; H609-M613 VanDerWaalsContact O-CB 3.3Å; H609-M613 WeakPolarHBondContact O-CB 3.31Å; H609-M613 PolarHBondContact O-N 3.38Å; H609-M613 VanDerWaalsContact O-N 3.12Å; F610-M613 HydrophobicContact CD2-CE 3.67Å; F610-M613 HydrophobicContact CE2-CE 3.61Å; F610-M613 WeakPolarHBondContact O-CB 3.42Å; I611-M613 PolarHBondContact O-N 3.12Å; M613-Q633 HydrophobicContact CG-CB 4.15Å; M613-Q633 HydrophobicContact CG-CG 4.27Å; M613-Q633 HydrophobicContact SD-CG 4.47Å; M613-V637 HydrophobicContact CE-CG2 4.47Å; M613-V637 HydrophobicContact CG-CG2 3.45Å; M613-V637 VanDerWaalsContact CG-CG2 3.45Å; M613-V637 HydrophobicContact SD-CG2 4.2Å
614	F	86.6	Confident	83.6	Confident	86 Å²	86	69.4 Å²	69.4	38%	0.377	36%	0.363	S	S	.	.	H	α-helix	trans	-81.1	-32.1	178.1	-73.8	-72.9	0	0	0	113.4	L580 F610 I611 D612 F616	L580-F614 HydrophobicContact CD1-CE1 4.04Å; L580-F614 HydrophobicContact CD1-CZ 4.02Å; L580-F614 HydrophobicContact CD2-CE1 3.76Å; L580-F614 HydrophobicContact CD2-CZ 3.8Å; L580-F614 HydrophobicContact CG-CE1 4.49Å; L580-F614 HydrophobicContact CG-CZ 4.32Å; F610-F614 HydrophobicContact CD1-CE2 4.27Å; F610-F614 HydrophobicContact CD2-CE2 4.44Å; F610-F614 HydrophobicContact CE1-CD2 4.46Å; F610-F614 AromaticContact CE1-CE2 3.73Å; F610-F614 HydrophobicContact CE1-CE2 3.73Å; F610-F614 AromaticContact CE2-CE2 3.92Å; F610-F614 HydrophobicContact CE2-CE2 3.92Å; F610-F614 AromaticContact CZ-CE2 3.55Å; F610-F614 HydrophobicContact CZ-CE2 3.55Å; F610-F614 HydrophobicContact CZ-CZ 4.2Å; F610-F614 VanDerWaalsContact O-CD2 3.29Å; F610-F614 WeakPolarHBondContact O-CD2 3.5Å; I611-F614 PolarHBondContact O-N 3.06Å; D612-F614 VanDerWaalsContact C-N 3.32Å; D612-F614 PolarHBondContact O-N 3.1Å; F614-F616 VanDerWaalsContact C-N 3.33Å
615	L	86.8	Confident	83.4	Confident	117 Å²	117	70 Å²	70	61%	0.613	37%	0.366	S	S	*	.	H	α-helix	trans	-82.6	-12.1	-178	-165.1	62.8	0	0	0	113.1	I611 D612 T617	I611-L615 PolarHBondContact O-N 3.02Å; D612-L615 PolarHBondContact O-N 2.92Å; L615-T617 WeakPolarHBondContact CD2-OG1 3.2Å; L615-T617 WeakPolarHBondContact CG-OG1 3.27Å; L615-T617 PolarHBondContact O-N 2.98Å
616	F	84	Confident	83.3	Confident	108 Å²	108	70 Å²	70	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	33.9	-172.7	-60.6	-77	0	0	0	113.4	D612 F614 K634 V637	D612-F616 PolarHBondContact O-N 3.37Å; F614-F616 VanDerWaalsContact C-N 3.33Å; F616-K634 HydrophobicContact CD1-CG 4.12Å; F616-K634 HydrophobicContact CE1-CG 4.34Å; F616-V637 HydrophobicContact CE1-CB 4.2Å; F616-V637 HydrophobicContact CE1-CG1 4.1Å; F616-V637 HydrophobicContact CE2-CG1 4.19Å; F616-V637 HydrophobicContact CZ-CB 4.06Å; F616-V637 HydrophobicContact CZ-CG1 3.47Å; F616-V637 VanDerWaalsContact CZ-CG1 3.47Å
617	T	81.3	Confident	83.1	Confident	58 Å²	58	75.7 Å²	75.7	36%	0.356	40%	0.395	S	S	.	.			trans	-106.2	141.9	-179.2	-57.9	0	0	0	0	110.8	D612 L615	D612-T617 WeakPolarHBondContact CB-O 3.32Å; D612-T617 PolarHBondContact O-N 3.33Å; L615-T617 WeakPolarHBondContact CD2-OG1 3.2Å; L615-T617 WeakPolarHBondContact CG-OG1 3.27Å; L615-T617 PolarHBondContact O-N 2.98Å
618	D	75.1	Confident	82.9	Confident	98 Å²	98	71.6 Å²	71.6	52%	0.524	38%	0.381	S	S	.	.			trans	-101.8	118.1	174.7	-68.7	-36.8	0	0	0	110.2	L630	D618-L630 WeakPolarHBondContact OD1-CD1 3.19Å
619	N	75.3	Confident	82.9	Confident	70 Å²	70	68.4 Å²	68.4	37%	0.374	37%	0.365	S	S	.	.			trans	-97.9	113.8	175.9	-82.2	-39	0	0	0	111.2	D612 E621 N622	D612-N619 PolarHBondContact OD1-ND2 3.19Å; D612-N619 PolarHBondContact OD2-ND2 3.12Å; N619-E621 PolarHBondContact O-N 3.05Å; N619-N622 PolarHBondContact O-N 2.87Å
620	P	71.5	Confident	82.7	Confident	130 Å²	130	70 Å²	70	84%	0.844	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.1	-177.5	27.8	-34.5	0	0	0	113.8	N622	P620-N622 VanDerWaalsContact C-N 3.31Å
621	E	72.5	Confident	82.7	Confident	190 Å²	190	74.1 Å²	74.1	89%	0.888	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.3	178.7	-62.4	-171.8	167.6	0	0	113.4	N619	N619-E621 PolarHBondContact O-N 3.05Å
622	N	79.9	Confident	82.7	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.123	39%	0.39	C	S	.	.	S	Bend	trans	-117.2	108.1	-176	-157.7	11.3	0	0	0	109.8	P604 S605 I608 H609 N619 P620	P604-N622 WeakPolarHBondContact CA-OD1 3.46Å; P604-N622 WeakPolarHBondContact CB-OD1 3.3Å; S605-N622 PolarHBondContact N-OD1 3.3Å; S605-N622 VanDerWaalsContact N-OD1 3.09Å; S605-N622 PolarHBondContact O-ND2 3.14Å; I608-N622 WeakPolarHBondContact CB-ND2 3.11Å; I608-N622 WeakPolarHBondContact CG2-ND2 3.35Å; H609-N622 PolarHBondContact CE1-ND2 3.41Å; H609-N622 PolarHBondContact CE1-OD1 3.38Å; H609-N622 PolarHBondContact ND1-ND2 3.09Å; H609-N622 VanDerWaalsContact ND1-ND2 3.11Å; N619-N622 PolarHBondContact O-N 2.87Å; P620-N622 VanDerWaalsContact C-N 3.31Å
623	P	81.2	Confident	82.8	Confident	49 Å²	49	72.3 Å²	72.3	32%	0.318	39%	0.389	S	S	.	.			trans	-71.4	151.7	-174.8	28.8	-34.2	0	0	0	112.1	I602 P604 H609	I602-P623 HydrophobicContact CG2-CB 4.17Å; I602-P623 HydrophobicContact CG2-CG 3.66Å; I602-P623 WeakPolarHBondContact O-CG 3.5Å; P604-P623 HydrophobicContact CB-CG 4.41Å; P604-P623 WeakPolarHBondContact CB-O 3.15Å; H609-P623 PolarHBondContact CE1-O 2.95Å; H609-P623 VanDerWaalsContact CE1-O 3.3Å; H609-P623 PolarHBondContact NE2-O 3.35Å
624	Q	81.3	Confident	82.9	Confident	111 Å²	111	76.1 Å²	76.1	52%	0.519	41%	0.405	S	S	.	.			trans	-64.8	140.9	177.2	-62.9	-180	-5.6	0	0	111.2
625	L	82	Confident	83.2	Confident	14 Å²	14	76 Å²	76	7%	0.073	41%	0.411	C	S	.	.	S	Bend	trans	-71	-41.2	176.8	-81.7	75.7	0	0	0	111.9	M587 F590 P604	M587-L625 HydrophobicContact CB-CD2 4.33Å; M587-L625 HydrophobicContact CG-CD2 4.41Å; F590-L625 HydrophobicContact CD1-CB 4.26Å; F590-L625 HydrophobicContact CD1-CD2 4.16Å; F590-L625 HydrophobicContact CE1-CB 4.11Å; F590-L625 WeakPolarHBondContact CE1-O 3.45Å; P604-L625 HydrophobicContact CB-CD1 4.04Å; P604-L625 HydrophobicContact CG-CD1 3.47Å; P604-L625 VanDerWaalsContact CG-CD1 3.47Å; P604-L625 HydrophobicContact CG-CG 3.84Å
626	Y	85.3	Confident	83.4	Confident	50 Å²	50	71.9 Å²	71.9	20%	0.196	39%	0.39	C	S	.	.	S	Bend	trans	-147.2	161.4	-179.8	63.9	-88	0	0	0	111.2	Y583 F586 G628 Q629 V632	Y583-Y626 WeakPolarHBondContact OH-CE1 3.08Å; Y583-Y626 PolarHBondContact OH-OH 2.97Å; F586-Y626 HydrophobicContact CE1-CE1 4.14Å; Y626-G628 PolarHBondContact O-N 2.9Å; Y626-Q629 HydrophobicContact CD1-CB 4.28Å; Y626-Q629 HydrophobicContact CD2-CB 4.38Å; Y626-Q629 HydrophobicContact CE1-CB 3.98Å; Y626-Q629 HydrophobicContact CE1-CG 3.95Å; Y626-Q629 HydrophobicContact CE2-CB 4.09Å; Y626-Q629 HydrophobicContact CG-CB 4.46Å; Y626-Q629 WeakPolarHBondContact O-CB 3.35Å; Y626-Q629 PolarHBondContact O-N 3.47Å; Y626-V632 HydrophobicContact CE2-CG2 4.18Å; Y626-V632 WeakPolarHBondContact OH-CB 3.28Å; Y626-V632 WeakPolarHBondContact OH-CG1 3.46Å
627	T	84.6	Confident	83.7	Confident	138 Å²	138	67.5 Å²	67.5	85%	0.847	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	124.2	-178.7	48.5	0	0	0	0	111
628	G	83.7	Confident	84.2	Confident	33 Å²	33	68.5 Å²	68.5	34%	0.34	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	11.2	179.4	0	0	0	0	0	115.7	Y626 L630 I631 V632	Y626-G628 PolarHBondContact O-N 2.9Å; G628-L630 VanDerWaalsContact C-N 3.27Å; G628-L630 PolarHBondContact O-N 3.37Å; G628-I631 PolarHBondContact O-N 3.3Å; G628-I631 VanDerWaalsContact O-N 3.15Å; G628-V632 PolarHBondContact O-N 2.97Å
629	Q	86.9	Confident	84.9	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-51.7	-41.2	179.6	177.7	179.2	-10.7	0	0	114	H609 Y626 I631 V632 Q633	H609-Q629 PolarHBondContact CD2-NE2 3.48Å; Y626-Q629 HydrophobicContact CD1-CB 4.28Å; Y626-Q629 HydrophobicContact CD2-CB 4.38Å; Y626-Q629 HydrophobicContact CE1-CB 3.98Å; Y626-Q629 HydrophobicContact CE1-CG 3.95Å; Y626-Q629 HydrophobicContact CE2-CB 4.09Å; Y626-Q629 HydrophobicContact CG-CB 4.46Å; Y626-Q629 WeakPolarHBondContact O-CB 3.35Å; Y626-Q629 PolarHBondContact O-N 3.47Å; Q629-I631 VanDerWaalsContact C-N 3.3Å; Q629-I631 PolarHBondContact O-N 3.38Å; Q629-V632 PolarHBondContact O-N 3.5Å; Q629-Q633 HydrophobicContact CG-CG 4.19Å; Q629-Q633 VanDerWaalsContact NE2-NE2 3.11Å; Q629-Q633 WeakPolarHBondContact O-CG 3.4Å; Q629-Q633 PolarHBondContact O-N 3.07Å
630	L	84.3	Confident	85.6	Confident	46 Å²	46	64.6 Å²	64.6	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-39.2	-177.6	-176	62.9	0	0	0	112.4	D618 G628 K634	D618-L630 WeakPolarHBondContact OD1-CD1 3.19Å; G628-L630 VanDerWaalsContact C-N 3.27Å; G628-L630 PolarHBondContact O-N 3.37Å; L630-K634 HydrophobicContact CD1-CD 4.36Å; L630-K634 HydrophobicContact CG-CD 4.23Å; L630-K634 WeakPolarHBondContact O-CB 3.5Å; L630-K634 VanDerWaalsContact O-CG 3.31Å; L630-K634 WeakPolarHBondContact O-CG 3.46Å; L630-K634 PolarHBondContact O-N 3.28Å; L630-K634 VanDerWaalsContact O-N 3.07Å
631	I	89.1	Confident	86.5	Confident	121 Å²	121	64.3 Å²	64.3	62%	0.621	35%	0.348	S	S	*	.	H	α-helix	trans	-67.3	-46.2	179.3	-62	170	0	0	0	109.1	G628 Q629 Q633 K634 V635	G628-I631 PolarHBondContact O-N 3.3Å; G628-I631 VanDerWaalsContact O-N 3.15Å; Q629-I631 VanDerWaalsContact C-N 3.3Å; Q629-I631 PolarHBondContact O-N 3.38Å; I631-Q633 PolarHBondContact O-N 3.07Å; I631-K634 PolarHBondContact O-N 3.37Å; I631-V635 HydrophobicContact CG2-CG2 4.42Å; I631-V635 WeakPolarHBondContact O-CB 3.28Å; I631-V635 VanDerWaalsContact O-CG2 3.28Å; I631-V635 WeakPolarHBondContact O-CG2 3.45Å; I631-V635 PolarHBondContact O-N 3.03Å
632	V	90.2	Very high	87.3	Confident	56 Å²	56	58.6 Å²	58.6	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-47	179.2	178	0	0	0	0	111.1	Y583 Y626 G628 Q629 K634 V635 L636	Y583-V632 HydrophobicContact CE2-CG1 4.32Å; Y626-V632 HydrophobicContact CE2-CG2 4.18Å; Y626-V632 WeakPolarHBondContact OH-CB 3.28Å; Y626-V632 WeakPolarHBondContact OH-CG1 3.46Å; G628-V632 PolarHBondContact O-N 2.97Å; Q629-V632 PolarHBondContact O-N 3.5Å; V632-K634 PolarHBondContact O-N 3.22Å; V632-V635 PolarHBondContact O-N 3.23Å; V632-L636 HydrophobicContact CG1-CD1 3.78Å; V632-L636 HydrophobicContact CG1-CG 4.23Å; V632-L636 WeakPolarHBondContact O-CB 3.5Å; V632-L636 VanDerWaalsContact O-CG 3.27Å; V632-L636 WeakPolarHBondContact O-CG 3.28Å; V632-L636 PolarHBondContact O-N 3.22Å
633	Q	89.7	Confident	87.8	Confident	15 Å²	15	58 Å²	58	7%	0.07	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-46.1	178.2	-76.9	179.5	-31	0	0	112.2	Y583 H609 M613 Q629 I631 V635 L636 V637	Y583-Q633 HydrophobicContact CE1-CG 3.77Å; H609-Q633 PolarHBondContact O-NE2 3.08Å; M613-Q633 HydrophobicContact CG-CB 4.15Å; M613-Q633 HydrophobicContact CG-CG 4.27Å; M613-Q633 HydrophobicContact SD-CG 4.47Å; Q629-Q633 HydrophobicContact CG-CG 4.19Å; Q629-Q633 VanDerWaalsContact NE2-NE2 3.11Å; Q629-Q633 WeakPolarHBondContact O-CG 3.4Å; Q629-Q633 PolarHBondContact O-N 3.07Å; I631-Q633 PolarHBondContact O-N 3.07Å; Q633-V635 PolarHBondContact O-N 3.21Å; Q633-L636 PolarHBondContact O-N 3.47Å; Q633-V637 WeakPolarHBondContact O-CG2 3.37Å; Q633-V637 PolarHBondContact O-N 3.41Å
634	K	89.9	Confident	88.2	Confident	84 Å²	84	57.9 Å²	57.9	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-44.9	176.9	-74.7	176.6	179	173.8	0	111.7	F616 L630 I631 V632 V638	F616-K634 HydrophobicContact CD1-CG 4.12Å; F616-K634 HydrophobicContact CE1-CG 4.34Å; L630-K634 HydrophobicContact CD1-CD 4.36Å; L630-K634 HydrophobicContact CG-CD 4.23Å; L630-K634 WeakPolarHBondContact O-CB 3.5Å; L630-K634 VanDerWaalsContact O-CG 3.31Å; L630-K634 WeakPolarHBondContact O-CG 3.46Å; L630-K634 PolarHBondContact O-N 3.28Å; L630-K634 VanDerWaalsContact O-N 3.07Å; I631-K634 PolarHBondContact O-N 3.37Å; V632-K634 PolarHBondContact O-N 3.22Å; K634-V638 VanDerWaalsContact O-CG2 3.28Å; K634-V638 WeakPolarHBondContact O-CG2 3.22Å; K634-V638 PolarHBondContact O-N 3Å
635	V	92	Very high	88.6	Confident	84 Å²	84	55.8 Å²	55.8	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-45.8	178.1	170.6	0	0	0	0	111.3	I631 V632 Q633 V637 V638 L639	I631-V635 HydrophobicContact CG2-CG2 4.42Å; I631-V635 WeakPolarHBondContact O-CB 3.28Å; I631-V635 VanDerWaalsContact O-CG2 3.28Å; I631-V635 WeakPolarHBondContact O-CG2 3.45Å; I631-V635 PolarHBondContact O-N 3.03Å; V632-V635 PolarHBondContact O-N 3.23Å; Q633-V635 PolarHBondContact O-N 3.21Å; V635-V637 PolarHBondContact O-N 2.87Å; V635-V638 PolarHBondContact O-N 3.13Å; V635-L639 VanDerWaalsContact O-CB 3.29Å; V635-L639 WeakPolarHBondContact O-CB 3.29Å; V635-L639 PolarHBondContact O-N 3.29Å
636	L	91.3	Very high	89	Confident	31 Å²	31	58.2 Å²	58.2	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-42.9	-179.8	-72.9	172.4	0	0	0	112.4	C579 Y583 V632 Q633 L639 A640	C579-L636 HydrophobicContact CB-CD2 4.12Å; Y583-L636 HydrophobicContact CD1-CD1 4.18Å; Y583-L636 HydrophobicContact CD2-CD1 3.57Å; Y583-L636 HydrophobicContact CE2-CD1 4.08Å; Y583-L636 HydrophobicContact CG-CD1 3.64Å; V632-L636 HydrophobicContact CG1-CD1 3.78Å; V632-L636 HydrophobicContact CG1-CG 4.23Å; V632-L636 WeakPolarHBondContact O-CB 3.5Å; V632-L636 VanDerWaalsContact O-CG 3.27Å; V632-L636 WeakPolarHBondContact O-CG 3.28Å; V632-L636 PolarHBondContact O-N 3.22Å; Q633-L636 PolarHBondContact O-N 3.47Å; L636-L639 PolarHBondContact O-N 3.19Å; L636-A640 WeakPolarHBondContact O-CB 3.37Å; L636-A640 PolarHBondContact O-N 3.41Å
637	V	90.7	Very high	89.1	Confident	15 Å²	15	56.1 Å²	56.1	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-42.5	179	177.2	0	0	0	0	111.5	L580 M613 F616 Q633 V635 L639 A640 L641	L580-V637 HydrophobicContact CD2-CG2 4.46Å; M613-V637 HydrophobicContact CE-CG2 4.47Å; M613-V637 HydrophobicContact CG-CG2 3.45Å; M613-V637 VanDerWaalsContact CG-CG2 3.45Å; M613-V637 HydrophobicContact SD-CG2 4.2Å; F616-V637 HydrophobicContact CE1-CB 4.2Å; F616-V637 HydrophobicContact CE1-CG1 4.1Å; F616-V637 HydrophobicContact CE2-CG1 4.19Å; F616-V637 HydrophobicContact CZ-CB 4.06Å; F616-V637 HydrophobicContact CZ-CG1 3.47Å; F616-V637 VanDerWaalsContact CZ-CG1 3.47Å; Q633-V637 WeakPolarHBondContact O-CG2 3.37Å; Q633-V637 PolarHBondContact O-N 3.41Å; V635-V637 PolarHBondContact O-N 2.87Å; V637-L639 VanDerWaalsContact C-N 3.29Å; V637-L639 PolarHBondContact O-N 3Å; V637-A640 PolarHBondContact O-N 3.4Å; V637-L641 WeakPolarHBondContact O-CB 3.42Å; V637-L641 PolarHBondContact O-N 2.89Å
638	V	91.2	Very high	89.3	Confident	80 Å²	80	52.4 Å²	52.4	49%	0.485	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-43.2	175.5	170	0	0	0	0	110.5	K634 V635 L641 C642	K634-V638 VanDerWaalsContact O-CG2 3.28Å; K634-V638 WeakPolarHBondContact O-CG2 3.22Å; K634-V638 PolarHBondContact O-N 3Å; V635-V638 PolarHBondContact O-N 3.13Å; V638-L641 PolarHBondContact O-N 2.89Å; V638-C642 PolarHBondContact O-N 3.44Å; V638-C642 PolarHBondContact O-SG 2.95Å
639	L	90	Very high	89.4	Confident	82 Å²	82	54.4 Å²	54.4	43%	0.429	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-35.6	-178.6	-155	55.5	0	0	0	112	F575 V635 L636 V637 C642 S643	F575-L639 HydrophobicContact CD1-CG 4.36Å; F575-L639 HydrophobicContact CE1-CB 3.7Å; F575-L639 HydrophobicContact CE1-CD1 4.46Å; F575-L639 HydrophobicContact CE1-CD2 3.69Å; F575-L639 HydrophobicContact CE1-CG 3.25Å; F575-L639 HydrophobicContact CE2-CD2 3.94Å; F575-L639 HydrophobicContact CE2-CG 4.32Å; F575-L639 HydrophobicContact CZ-CB 3.96Å; F575-L639 HydrophobicContact CZ-CD1 4.48Å; F575-L639 HydrophobicContact CZ-CD2 3.06Å; F575-L639 HydrophobicContact CZ-CG 3.24Å; V635-L639 VanDerWaalsContact O-CB 3.29Å; V635-L639 WeakPolarHBondContact O-CB 3.29Å; V635-L639 PolarHBondContact O-N 3.29Å; L636-L639 PolarHBondContact O-N 3.19Å; V637-L639 VanDerWaalsContact C-N 3.29Å; V637-L639 PolarHBondContact O-N 3Å; L639-C642 PolarHBondContact O-N 3.37Å; L639-S643 PolarHBondContact O-N 2.75Å
640	A	89.9	Confident	89.2	Confident	3 Å²	3	54.8 Å²	54.8	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-35.7	170.3	0	0	0	0	0	112.5	F576 C579 L580 L636 V637 S643	F576-A640 HydrophobicContact CD2-CB 4.14Å; C579-A640 HydrophobicContact CB-CB 4.28Å; L580-A640 HydrophobicContact CD1-CB 4.35Å; L580-A640 HydrophobicContact CD2-CB 4.01Å; L580-A640 HydrophobicContact CG-CB 4.03Å; L636-A640 WeakPolarHBondContact O-CB 3.37Å; L636-A640 PolarHBondContact O-N 3.41Å; V637-A640 PolarHBondContact O-N 3.4Å; A640-S643 PolarHBondContact O-N 3.21Å; A640-S643 PolarHBondContact O-OG 3.16Å
641	L	90.3	Very high	89	Confident	125 Å²	125	55 Å²	55	65%	0.654	31%	0.307	S	S	*	.	H	α-helix	trans	-69.8	-38.1	174.9	-172.1	67	0	0	0	111.4	V637 V638 S643 V644 P645	V637-L641 WeakPolarHBondContact O-CB 3.42Å; V637-L641 PolarHBondContact O-N 2.89Å; V638-L641 PolarHBondContact O-N 2.89Å; L641-S643 VanDerWaalsContact C-N 3.27Å; L641-S643 PolarHBondContact O-N 3.45Å; L641-V644 PolarHBondContact O-N 3.24Å; L641-P645 WeakPolarHBondContact O-CD 3.36Å
642	C	90.6	Very high	88.8	Confident	70 Å²	70	49.3 Å²	49.3	47%	0.473	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-26.4	176.2	-71.4	0	0	0	0	113.3	V638 L639 V644 P645 V646	V638-C642 PolarHBondContact O-N 3.44Å; V638-C642 PolarHBondContact O-SG 2.95Å; L639-C642 PolarHBondContact O-N 3.37Å; C642-V644 VanDerWaalsContact C-N 3.31Å; C642-V644 PolarHBondContact O-N 3.44Å; C642-P645 WeakPolarHBondContact O-CD 3.42Å; C642-V646 WeakPolarHBondContact O-CG2 3.36Å
643	S	88.9	Confident	88.4	Confident	11 Å²	11	50.6 Å²	50.6	8%	0.077	28%	0.283	C	S	.	.	H	α-helix	trans	-72.7	-23.8	178.3	71.9	0	0	0	0	113	L639 A640 L641 V646 L647	L639-S643 PolarHBondContact O-N 2.75Å; A640-S643 PolarHBondContact O-N 3.21Å; A640-S643 PolarHBondContact O-OG 3.16Å; L641-S643 VanDerWaalsContact C-N 3.27Å; L641-S643 PolarHBondContact O-N 3.45Å; S643-V646 PolarHBondContact O-N 2.96Å; S643-L647 WeakPolarHBondContact O-CB 3.34Å; S643-L647 PolarHBondContact O-N 2.81Å
644	V	90.4	Very high	87.9	Confident	45 Å²	45	52.1 Å²	52.1	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-49.8	-179.2	178.2	0	0	0	0	112.4	F576 L641 C642 V646 L647 L648 T711	F576-V644 HydrophobicContact CD2-CG2 4.37Å; F576-V644 HydrophobicContact CE2-CG2 4.23Å; L641-V644 PolarHBondContact O-N 3.24Å; C642-V644 VanDerWaalsContact C-N 3.31Å; C642-V644 PolarHBondContact O-N 3.44Å; V644-V646 VanDerWaalsContact C-N 3.27Å; V644-V646 PolarHBondContact O-N 2.67Å; V644-L647 PolarHBondContact O-N 3.47Å; V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 PolarHBondContact O-N 2.63Å; V644-T711 HydrophobicContact CG1-CG2 4.23Å
645	P	90.4	Very high	87.4	Confident	68 Å²	68	51.3 Å²	51.3	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-35.2	172.7	-26.2	34.2	0	0	0	113.7	L641 C642 L648 L649	L641-P645 WeakPolarHBondContact O-CD 3.36Å; C642-P645 WeakPolarHBondContact O-CD 3.42Å; P645-L648 PolarHBondContact O-N 3.25Å; P645-L649 WeakPolarHBondContact O-CB 3.45Å; P645-L649 PolarHBondContact O-N 3.17Å
646	V	89.3	Confident	86.9	Confident	65 Å²	65	52.2 Å²	52.2	39%	0.394	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-42.9	178.1	177.7	0	0	0	0	110.6	F568 P572 C642 S643 V644 G650	F568-V646 HydrophobicContact CD1-CG1 4.31Å; P572-V646 HydrophobicContact CG-CB 4.37Å; P572-V646 HydrophobicContact CG-CG1 3.76Å; C642-V646 WeakPolarHBondContact O-CG2 3.36Å; S643-V646 PolarHBondContact O-N 2.96Å; V644-V646 VanDerWaalsContact C-N 3.27Å; V644-V646 PolarHBondContact O-N 2.67Å; V646-G650 VanDerWaalsContact O-CA 3.3Å; V646-G650 WeakPolarHBondContact O-CA 3.49Å; V646-G650 PolarHBondContact O-N 3.47Å
647	L	87.9	Confident	86.4	Confident	5 Å²	5	55 Å²	55	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-39.4	176.9	-175.8	59.8	0	0	0	112.4	V569 P572 E573 S643 V644 Q707 T711 Y714	V569-L647 HydrophobicContact CB-CD1 4.25Å; V569-L647 HydrophobicContact CG1-CD1 4.05Å; V569-L647 HydrophobicContact CG2-CD1 4.42Å; P572-L647 HydrophobicContact CB-CB 4.13Å; E573-L647 HydrophobicContact CG-CD1 4.21Å; E573-L647 HydrophobicContact CG-CD2 4.1Å; S643-L647 WeakPolarHBondContact O-CB 3.34Å; S643-L647 PolarHBondContact O-N 2.81Å; V644-L647 PolarHBondContact O-N 3.47Å; L647-Q707 PolarHBondContact O-NE2 3.35Å; L647-T711 HydrophobicContact CB-CG2 4.29Å; L647-T711 HydrophobicContact CD2-CG2 3.95Å; L647-T711 HydrophobicContact CG-CG2 4.04Å; L647-Y714 HydrophobicContact CD2-CD1 4.5Å
648	L	88.9	Confident	85.9	Confident	60 Å²	60	56.8 Å²	56.8	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-70.3	-48.5	-178.8	-176.1	68	0	0	0	112.4	V644 P645 P652 A708 T711	V644-L648 WeakPolarHBondContact O-CB 3.49Å; V644-L648 PolarHBondContact O-N 2.63Å; P645-L648 PolarHBondContact O-N 3.25Å; L648-P652 WeakPolarHBondContact O-CG 3.42Å; L648-A708 HydrophobicContact CD1-CB 3.73Å; L648-T711 HydrophobicContact CB-CG2 4.3Å
649	L	85.9	Confident	85.3	Confident	76 Å²	76	56.5 Å²	56.5	40%	0.398	31%	0.314	S	S	.	.	H	α-helix	trans	-99	-24.5	-169.3	-62.7	176.8	0	0	0	113.4	P645 P652 L653 F704	P645-L649 WeakPolarHBondContact O-CB 3.45Å; P645-L649 PolarHBondContact O-N 3.17Å; L649-P652 WeakPolarHBondContact O-CD 3.3Å; L649-P652 WeakPolarHBondContact O-CG 3.41Å; L649-L653 HydrophobicContact CB-CD1 3.8Å; L649-L653 WeakPolarHBondContact O-CB 3.43Å; L649-L653 WeakPolarHBondContact O-CD1 3.37Å; L649-L653 VanDerWaalsContact O-CG 3.24Å; L649-L653 WeakPolarHBondContact O-CG 3.31Å; L649-L653 PolarHBondContact O-N 3.22Å; L649-L653 VanDerWaalsContact O-N 3.11Å; L649-F704 HydrophobicContact CD2-CE1 3.95Å
650	G	82.1	Confident	84.7	Confident	9 Å²	9	56.7 Å²	56.7	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-57.1	-169.3	0	0	0	0	0	113.4	V646 C654	V646-G650 VanDerWaalsContact O-CA 3.3Å; V646-G650 WeakPolarHBondContact O-CA 3.49Å; V646-G650 PolarHBondContact O-N 3.47Å; G650-C654 WeakPolarHBondContact O-CB 3.27Å; G650-C654 PolarHBondContact O-N 3.01Å; G650-C654 VanDerWaalsContact O-N 3.13Å; G650-C654 PolarHBondContact O-SG 3.45Å
651	K	81.4	Confident	84.1	Confident	50 Å²	50	59.2 Å²	59.2	22%	0.217	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-53.4	-179.4	-171.1	-171.8	172	-160.9	0	113.5	V569 L653 C654 E655	V569-K651 HydrophobicContact CG2-CD 4.25Å; K651-L653 VanDerWaalsContact C-N 3.35Å; K651-L653 PolarHBondContact O-N 2.93Å; K651-C654 PolarHBondContact O-N 3.21Å; K651-E655 WeakPolarHBondContact CE-OE1 3.35Å; K651-E655 PolarHBondContact O-N 3.28Å
652	P	83.4	Confident	83.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-34.9	-176.6	24.2	-34.5	0	0	0	112.7	L648 L649 E655 Y656 V703 F704 Q707	L648-P652 WeakPolarHBondContact O-CG 3.42Å; L649-P652 WeakPolarHBondContact O-CD 3.3Å; L649-P652 WeakPolarHBondContact O-CG 3.41Å; P652-E655 PolarHBondContact O-N 3.09Å; P652-Y656 VanDerWaalsContact O-CB 3.24Å; P652-Y656 WeakPolarHBondContact O-CB 3.45Å; P652-Y656 PolarHBondContact O-N 3.18Å; P652-V703 HydrophobicContact CB-CG1 4.14Å; P652-F704 HydrophobicContact CB-CD1 3.86Å; P652-F704 HydrophobicContact CB-CD2 3.95Å; P652-F704 HydrophobicContact CB-CE1 3.72Å; P652-F704 HydrophobicContact CB-CE2 3.81Å; P652-F704 HydrophobicContact CB-CG 3.97Å; P652-F704 HydrophobicContact CB-CZ 3.7Å; P652-F704 HydrophobicContact CG-CD1 3.72Å; P652-F704 HydrophobicContact CG-CE1 3.5Å; P652-F704 HydrophobicContact CG-CE2 4.5Å; P652-F704 HydrophobicContact CG-CG 4.32Å; P652-F704 HydrophobicContact CG-CZ 3.93Å; P652-Q707 HydrophobicContact CG-CG 4.46Å
653	L	82.1	Confident	82.5	Confident	84 Å²	84	64.2 Å²	64.2	44%	0.44	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-41.2	174.3	-76.4	168.4	0	0	0	111.9	L649 K651 Y656 V657 F704	L649-L653 HydrophobicContact CB-CD1 3.8Å; L649-L653 WeakPolarHBondContact O-CB 3.43Å; L649-L653 WeakPolarHBondContact O-CD1 3.37Å; L649-L653 VanDerWaalsContact O-CG 3.24Å; L649-L653 WeakPolarHBondContact O-CG 3.31Å; L649-L653 PolarHBondContact O-N 3.22Å; L649-L653 VanDerWaalsContact O-N 3.11Å; K651-L653 VanDerWaalsContact C-N 3.35Å; K651-L653 PolarHBondContact O-N 2.93Å; L653-Y656 PolarHBondContact O-N 3.16Å; L653-V657 WeakPolarHBondContact O-CB 3.1Å; L653-V657 VanDerWaalsContact O-CG2 3.22Å; L653-V657 WeakPolarHBondContact O-CG2 3.46Å; L653-V657 PolarHBondContact O-N 3.29Å; L653-F704 HydrophobicContact CG-CZ 4.46Å
654	C	80.4	Confident	81.5	Confident	46 Å²	46	71.1 Å²	71.1	31%	0.311	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-43.1	177.1	-79.8	0	0	0	0	112.5	F568 G650 K651 V657 A658	F568-C654 HydrophobicContact CE2-CB 4.43Å; F568-C654 WeakPolarHBondContact CE2-SG 3.34Å; F568-C654 VanDerWaalsContact CZ-SG 3.58Å; G650-C654 WeakPolarHBondContact O-CB 3.27Å; G650-C654 PolarHBondContact O-N 3.01Å; G650-C654 VanDerWaalsContact O-N 3.13Å; G650-C654 PolarHBondContact O-SG 3.45Å; K651-C654 PolarHBondContact O-N 3.21Å; C654-V657 PolarHBondContact O-N 2.82Å; C654-A658 VanDerWaalsContact O-CB 3.32Å; C654-A658 WeakPolarHBondContact O-CB 3.21Å; C654-A658 PolarHBondContact O-N 3.33Å
655	E	78.1	Confident	80.2	Confident	67 Å²	67	77.5 Å²	77.5	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-41.9	176.3	-72.5	178.4	-178	0	0	111.4	K651 P652 V657 A658 F659 F698 V703	K651-E655 WeakPolarHBondContact CE-OE1 3.35Å; K651-E655 PolarHBondContact O-N 3.28Å; P652-E655 PolarHBondContact O-N 3.09Å; E655-V657 PolarHBondContact O-N 3.43Å; E655-A658 PolarHBondContact O-N 3.02Å; E655-F659 WeakPolarHBondContact O-CB 3.23Å; E655-F659 PolarHBondContact O-N 2.94Å; E655-F698 HydrophobicContact CB-CE2 4.17Å; E655-F698 HydrophobicContact CB-CZ 4.02Å; E655-V703 WeakPolarHBondContact OE2-CG1 3.2Å
656	Y	81.2	Confident	78.8	Confident	103 Å²	103	80.1 Å²	80.1	40%	0.404	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-43.5	174.9	179.5	-98.4	0	0	0	112.9	P652 L653 F659 K660 F698	P652-Y656 VanDerWaalsContact O-CB 3.24Å; P652-Y656 WeakPolarHBondContact O-CB 3.45Å; P652-Y656 PolarHBondContact O-N 3.18Å; L653-Y656 PolarHBondContact O-N 3.16Å; Y656-F659 PolarHBondContact O-N 3.47Å; Y656-K660 HydrophobicContact CE1-CD 4.39Å; Y656-K660 WeakPolarHBondContact O-CB 3.38Å; Y656-K660 PolarHBondContact O-N 3.2Å; Y656-F698 HydrophobicContact CD2-CE1 4.27Å
657	V	81.2	Confident	77.5	Confident	91 Å²	91	80.4 Å²	80.4	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-66.6	-40.7	177	170.9	0	0	0	0	110.9	L653 C654 E655 K660 S661	L653-V657 WeakPolarHBondContact O-CB 3.1Å; L653-V657 VanDerWaalsContact O-CG2 3.22Å; L653-V657 WeakPolarHBondContact O-CG2 3.46Å; L653-V657 PolarHBondContact O-N 3.29Å; C654-V657 PolarHBondContact O-N 2.82Å; E655-V657 PolarHBondContact O-N 3.43Å; V657-K660 PolarHBondContact O-N 3.07Å; V657-S661 WeakPolarHBondContact O-CB 3.37Å; V657-S661 PolarHBondContact O-N 3.33Å
658	A	79.5	Confident	76	Confident	51 Å²	51	85.2 Å²	85.2	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.7	0	0	0	0	0	111.8	C654 E655 S661 K662	C654-A658 VanDerWaalsContact O-CB 3.32Å; C654-A658 WeakPolarHBondContact O-CB 3.21Å; C654-A658 PolarHBondContact O-N 3.33Å; E655-A658 PolarHBondContact O-N 3.02Å; A658-S661 PolarHBondContact O-N 3.15Å; A658-K662 PolarHBondContact O-N 2.94Å
659	F	78.5	Confident	74.6	Confident	75 Å²	75	89.1 Å²	89.1	33%	0.329	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-49.2	174.7	178.2	-100.8	0	0	0	111.5	E655 Y656 S661 K662 R663 F698	E655-F659 WeakPolarHBondContact O-CB 3.23Å; E655-F659 PolarHBondContact O-N 2.94Å; Y656-F659 PolarHBondContact O-N 3.47Å; F659-S661 VanDerWaalsContact C-N 3.27Å; F659-S661 PolarHBondContact O-N 2.94Å; F659-K662 PolarHBondContact O-N 2.9Å; F659-R663 WeakPolarHBondContact O-CB 3.35Å; F659-R663 PolarHBondContact O-N 3.33Å; F659-F698 HydrophobicContact CD1-CB 4.3Å; F659-F698 HydrophobicContact CD1-CD1 4.46Å; F659-F698 HydrophobicContact CD2-CB 3.83Å; F659-F698 HydrophobicContact CD2-CG 4.32Å; F659-F698 HydrophobicContact CE1-CB 4.25Å; F659-F698 HydrophobicContact CE2-CB 3.77Å; F659-F698 HydrophobicContact CG-CB 4.1Å; F659-F698 HydrophobicContact CG-CD1 4.45Å; F659-F698 HydrophobicContact CG-CG 4.24Å; F659-F698 HydrophobicContact CZ-CB 3.99Å
660	K	79.1	Confident	73	Confident	85 Å²	85	93 Å²	93	37%	0.37	44%	0.44	S	S	.	.	H	α-helix	trans	-61.2	-35.9	177.5	-170.6	175	-177.5	174.2	0	112.4	Y656 V657 R664	Y656-K660 HydrophobicContact CE1-CD 4.39Å; Y656-K660 WeakPolarHBondContact O-CB 3.38Å; Y656-K660 PolarHBondContact O-N 3.2Å; V657-K660 PolarHBondContact O-N 3.07Å; K660-R664 WeakPolarHBondContact O-CG 3.47Å; K660-R664 PolarHBondContact O-N 3.48Å
661	S	76.7	Confident	71.4	Confident	57 Å²	57	101.5 Å²	101.5	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-70.5	-40.7	175.1	-172.8	0	0	0	0	112.5	V657 A658 F659 R664 R665	V657-S661 WeakPolarHBondContact O-CB 3.37Å; V657-S661 PolarHBondContact O-N 3.33Å; A658-S661 PolarHBondContact O-N 3.15Å; F659-S661 VanDerWaalsContact C-N 3.27Å; F659-S661 PolarHBondContact O-N 2.94Å; S661-R664 PolarHBondContact O-N 3.11Å; S661-R665 PolarHBondContact O-N 3.42Å
662	K	74.9	Confident	69.5	Low	153 Å²	153	106.6 Å²	106.6	67%	0.665	49%	0.494	S	S	*	.	H	α-helix	trans	-63.7	-44.2	174.1	-79.7	-175.5	177.5	-176.5	0	111.1	A658 F659 R664 R665 H666	A658-K662 PolarHBondContact O-N 2.94Å; F659-K662 PolarHBondContact O-N 2.9Å; K662-R664 VanDerWaalsContact C-N 3.34Å; K662-R664 PolarHBondContact O-N 3.38Å; K662-R665 PolarHBondContact O-N 2.85Å; K662-R665 VanDerWaalsContact O-N 3.15Å; K662-H666 PolarHBondContact O-N 3.28Å
663	R	72.4	Confident	67.5	Low	146 Å²	146	111.6 Å²	111.6	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-41.8	175.5	-164.3	174.9	82.1	-171.8	8.5	112.1	F659 H666 I667	F659-R663 WeakPolarHBondContact O-CB 3.35Å; F659-R663 PolarHBondContact O-N 3.33Å; R663-H666 PolarHBondContact O-N 3.32Å; R663-I667 HydrophobicContact CG-CD1 4.2Å; R663-I667 WeakPolarHBondContact O-CD1 3.42Å; R663-I667 VanDerWaalsContact O-CG1 3.22Å; R663-I667 WeakPolarHBondContact O-CG1 3.46Å; R663-I667 PolarHBondContact O-N 3.31Å
664	R	66.9	Low	65.7	Low	157 Å²	157	116.2 Å²	116.2	59%	0.592	55%	0.55	S	S	*	*	H	α-helix	trans	-62.7	-40.6	173.8	-80.6	179.6	175.4	-175.2	-3.3	112.6	K660 S661 K662 I667 D668	K660-R664 WeakPolarHBondContact O-CG 3.47Å; K660-R664 PolarHBondContact O-N 3.48Å; S661-R664 PolarHBondContact O-N 3.11Å; K662-R664 VanDerWaalsContact C-N 3.34Å; K662-R664 PolarHBondContact O-N 3.38Å; R664-I667 PolarHBondContact O-N 3.33Å; R664-D668 PolarHBondContact O-N 3.25Å
665	R	63.8	Low	63.9	Low	179 Å²	179	120.1 Å²	120.1	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-65.4	-41.4	175.9	-76.7	-176.1	177.9	-178.3	-1.3	112.8	S661 K662 I667 D668 E669	S661-R665 PolarHBondContact O-N 3.42Å; K662-R665 PolarHBondContact O-N 2.85Å; K662-R665 VanDerWaalsContact O-N 3.15Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.4Å; R665-D668 PolarHBondContact O-N 2.99Å; R665-E669 PolarHBondContact O-N 3.26Å
666	H	61.9	Low	62.2	Low	122 Å²	122	121.3 Å²	121.3	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-61.3	-42.4	174.7	-118	-80.1	0	0	0	111.7	K662 R663 D668 E669 E670	K662-H666 PolarHBondContact O-N 3.28Å; R663-H666 PolarHBondContact O-N 3.32Å; H666-D668 VanDerWaalsContact C-N 3.32Å; H666-D668 PolarHBondContact O-N 3.11Å; H666-E669 PolarHBondContact O-N 3.42Å; H666-E670 PolarHBondContact O-N 3.44Å
667	I	60.5	Low	60	Low	72 Å²	72	125.4 Å²	125.4	37%	0.369	62%	0.617	S	S	.	*	H	α-helix	trans	-65.8	-34	175.9	-66	166.9	0	0	0	111.8	R663 R664 R665 R671	R663-I667 HydrophobicContact CG-CD1 4.2Å; R663-I667 WeakPolarHBondContact O-CD1 3.42Å; R663-I667 VanDerWaalsContact O-CG1 3.22Å; R663-I667 WeakPolarHBondContact O-CG1 3.46Å; R663-I667 PolarHBondContact O-N 3.31Å; R664-I667 PolarHBondContact O-N 3.33Å; R665-I667 VanDerWaalsContact C-N 3.33Å; R665-I667 PolarHBondContact O-N 3.4Å; I667-R671 WeakPolarHBondContact O-CB 3.39Å; I667-R671 VanDerWaalsContact O-CG 3.22Å; I667-R671 WeakPolarHBondContact O-CG 3.43Å; I667-R671 PolarHBondContact O-N 3.34Å
668	D	57.9	Low	57.8	Low	105 Å²	105	129.6 Å²	129.6	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-77.2	-31.4	177.1	-79.7	-24.1	0	0	0	112.8	R664 R665 H666 R671	R664-D668 PolarHBondContact O-N 3.25Å; R665-D668 PolarHBondContact O-N 2.99Å; H666-D668 VanDerWaalsContact C-N 3.32Å; H666-D668 PolarHBondContact O-N 3.11Å; D668-R671 PolarHBondContact O-N 2.98Å
669	E	57.8	Low	55.6	Low	143 Å²	143	130.3 Å²	130.3	67%	0.668	65%	0.649	S	S	*	*	H	α-helix	trans	-70.4	-38.5	172.1	-81.4	179.7	167.9	0	0	112	R665 H666 R671	R665-E669 PolarHBondContact O-N 3.26Å; H666-E669 PolarHBondContact O-N 3.42Å; E669-R671 PolarHBondContact O-N 3.13Å
670	E	53.1	Low	53.3	Low	156 Å²	156	132.4 Å²	132.4	73%	0.729	67%	0.673	S	S	*	*	H	α-helix	trans	-69.8	-18.5	172.1	-76.1	-176.8	163.7	0	0	113.6	H666	H666-E670 PolarHBondContact O-N 3.44Å
671	R	48.8	Very low	51.1	Low	189 Å²	189	134.3 Å²	134.3	71%	0.713	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	1.9	-179.9	-82.4	179.4	174.8	-164.5	-2.7	114.7	I667 D668 E669 P673	I667-R671 WeakPolarHBondContact O-CB 3.39Å; I667-R671 VanDerWaalsContact O-CG 3.22Å; I667-R671 WeakPolarHBondContact O-CG 3.43Å; I667-R671 PolarHBondContact O-N 3.34Å; D668-R671 PolarHBondContact O-N 2.98Å; E669-R671 PolarHBondContact O-N 3.13Å; R671-P673 VanDerWaalsContact O-CD 3.24Å; R671-P673 WeakPolarHBondContact O-CD 3.19Å
672	Q	40.3	Very low	48.9	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.734	71%	0.708	S	S	*	*	S	Bend	trans	-71.5	115.6	166.9	-81.9	-175.7	-12.3	0	0	109.5	L674	Q672-L674 PolarHBondContact O-N 2.9Å
673	P	42.2	Very low	46.8	Very low	106 Å²	106	137.4 Å²	137.4	69%	0.688	72%	0.715	S	S	*	*			trans	-65.8	131.8	174.2	27.1	-30.8	0	0	0	108.9	R671 V675	R671-P673 VanDerWaalsContact O-CD 3.24Å; R671-P673 WeakPolarHBondContact O-CD 3.19Å; P673-V675 VanDerWaalsContact C-N 3.29Å; P673-V675 PolarHBondContact O-N 2.91Å
674	L	45	Very low	44.7	Very low	181 Å²	181	141.6 Å²	141.6	95%	0.948	73%	0.731	S	S	*	*			trans	-51.9	92.5	164.4	-80.2	151.4	0	0	0	109	Q672 A676	Q672-L674 PolarHBondContact O-N 2.9Å; L674-A676 PolarHBondContact O-N 3.24Å
675	V	41.1	Very low	43	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	75%	0.749	S	S	*	*			trans	-75	108.8	164.4	177.1	0	0	0	0	105.8	P673 E677	P673-V675 VanDerWaalsContact C-N 3.29Å; P673-V675 PolarHBondContact O-N 2.91Å; V675-E677 PolarHBondContact O-N 3.36Å
676	A	44.3	Very low	41.3	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	75%	0.75	S	S	*	*			trans	-58.2	116.4	170.7	0	0	0	0	0	109.9	L674	L674-A676 PolarHBondContact O-N 3.24Å
677	E	34.9	Very low	39.6	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	77%	0.768	S	S	*	*			trans	-118.3	115.4	151.6	-98.2	-169.9	153.6	0	0	108.1	V675	V675-E677 PolarHBondContact O-N 3.36Å
678	D	35	Very low	38.2	Very low	178 Å²	178	145.3 Å²	145.3	95%	0.952	79%	0.789	S	S	*	*			trans	-59.6	127.2	170.3	-90.5	-37.4	0	0	0	110.7
679	G	32.8	Very low	36.9	Very low	67 Å²	67	149.5 Å²	149.5	69%	0.691	81%	0.805	S	S	*	*			trans	162	101.4	163.8	0	0	0	0	0	116.7
680	S	29.3	Very low	35.4	Very low	119 Å²	119	146.1 Å²	146.1	83%	0.832	81%	0.809	S	S	*	*			trans	85.3	86.7	155.2	73	0	0	0	0	120.5
681	V	33.8	Very low	34.1	Very low	125 Å²	125	141.3 Å²	141.3	76%	0.758	80%	0.801	S	S	*	*				16.5	126.1	122.8	-179.1	0	0	0	0	119
682	N	30.7	Very low	33.3	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	81%	0.805	S	S	*	*			trans	84.4	103.1	156.2	-69.2	-15.7	0	0	0	119.5
683	T	30.1	Very low	32.9	Very low	132 Å²	132	135 Å²	135	81%	0.81	81%	0.805	S	S	*	*				-172.1	126.7	102.3	12.4	0	0	0	0	113.7
684	R	29.1	Very low	32.5	Very low	234 Å²	234	137.2 Å²	137.2	88%	0.883	81%	0.811	S	S	*	*			trans	74.2	96.2	150.6	-65.3	-177.8	176	173.9	-0.5	119.7
685	Q	30	Very low	32.3	Very low	205 Å²	205	137.4 Å²	137.4	96%	0.958	81%	0.808	S	S	*	*			trans	-47	136.1	138.2	-77.6	168.4	-35.7	0	0	111.5
686	G	27.7	Very low	32.6	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	81%	0.811	S	S	*	*			trans	174.2	51.1	175.5	0	0	0	0	0	108.9	V688	G686-V688 VanDerWaalsContact C-N 3.31Å; G686-V688 PolarHBondContact O-N 3.47Å
687	E	28	Very low	33.1	Very low	202 Å²	202	144.1 Å²	144.1	94%	0.944	82%	0.815	S	S	*	*			trans	-62.8	96.9	165.9	-78.1	176.5	147.3	0	0	107.6
688	V	30.8	Very low	34.7	Very low	133 Å²	133	138 Å²	138	81%	0.806	79%	0.785	S	S	*	*			trans	-86.7	120.5	152	176	0	0	0	0	104.8	G686 G690	G686-V688 VanDerWaalsContact C-N 3.31Å; G686-V688 PolarHBondContact O-N 3.47Å; V688-G690 VanDerWaalsContact C-N 3.33Å; V688-G690 PolarHBondContact O-N 2.98Å
689	E	29.2	Very low	36.9	Very low	192 Å²	192	133.9 Å²	133.9	90%	0.897	76%	0.763	S	S	*	*			trans	-45.2	96.7	166.3	-72.8	172.8	136.1	0	0	109.7	G691	E689-G691 PolarHBondContact O-N 3.39Å
690	G	26.9	Very low	39.1	Very low	73 Å²	73	132 Å²	132	75%	0.753	74%	0.741	S	S	*	*			trans	-72.6	100.9	155.2	0	0	0	0	0	106	V688	V688-G690 VanDerWaalsContact C-N 3.33Å; V688-G690 PolarHBondContact O-N 2.98Å
691	G	26.2	Very low	41.8	Very low	55 Å²	55	129.3 Å²	129.3	57%	0.567	73%	0.726	S	S	*	*			trans	-49.5	155	161.9	0	0	0	0	0	109.8	E689 A693	E689-G691 PolarHBondContact O-N 3.39Å; G691-A693 PolarHBondContact O-N 3.29Å
692	P	31.3	Very low	44.3	Very low	124 Å²	124	128 Å²	128	81%	0.805	72%	0.715	S	S	*	*			trans	-55.6	116.5	-178.8	26.9	-31.8	0	0	0	106.9	D694	P692-D694 PolarHBondContact O-N 3.04Å
693	A	33.5	Very low	47	Very low	89 Å²	89	122.8 Å²	122.8	74%	0.736	69%	0.688	S	S	*	*			trans	-58.6	115.9	164.2	0	0	0	0	0	104.7	G691 E695	G691-A693 PolarHBondContact O-N 3.29Å; A693-E695 PolarHBondContact O-N 3.12Å
694	D	33.5	Very low	49.7	Very low	152 Å²	152	119.9 Å²	119.9	81%	0.813	67%	0.665	S	S	*	*			trans	-42.4	108.1	176.8	-70.9	-48.8	0	0	0	108.4	P692 E696	P692-D694 PolarHBondContact O-N 3.04Å; D694-E696 PolarHBondContact O-N 3.45Å
695	E	39.6	Very low	52.6	Low	186 Å²	186	114.3 Å²	114.3	87%	0.869	65%	0.65	S	S	*	*			trans	-62.7	97.5	164.8	-75.1	-173.3	156.5	0	0	104.9	A693 E697	A693-E695 PolarHBondContact O-N 3.12Å; E695-E697 VanDerWaalsContact C-N 3.26Å; E695-E697 PolarHBondContact O-N 2.92Å
696	E	48.3	Very low	55.4	Low	179 Å²	179	110.6 Å²	110.6	84%	0.836	63%	0.632	S	S	*	*			trans	-57	97.4	168.9	-74.4	-177.5	166.9	0	0	106.9	D694 F698	D694-E696 PolarHBondContact O-N 3.45Å; E696-F698 PolarHBondContact O-N 3.33Å
697	E	54.9	Low	58.3	Low	182 Å²	182	107.6 Å²	107.6	85%	0.85	60%	0.6	S	S	*	*			trans	-53.7	111.8	168.6	-81.8	-172.6	148.3	0	0	106.7	E695 D699	E695-E697 VanDerWaalsContact C-N 3.26Å; E695-E697 PolarHBondContact O-N 2.92Å; E697-D699 VanDerWaalsContact C-N 3.29Å; E697-D699 PolarHBondContact O-N 3.1Å
698	F	68.5	Low	61.3	Low	59 Å²	59	99.3 Å²	99.3	26%	0.259	57%	0.566	S	S	.	*			trans	-65.5	95.2	174.5	178.9	-98.6	0	0	0	108.1	E655 Y656 F659 E696 A700 V703	E655-F698 HydrophobicContact CB-CE2 4.17Å; E655-F698 HydrophobicContact CB-CZ 4.02Å; Y656-F698 HydrophobicContact CD2-CE1 4.27Å; F659-F698 HydrophobicContact CD1-CB 4.3Å; F659-F698 HydrophobicContact CD1-CD1 4.46Å; F659-F698 HydrophobicContact CD2-CB 3.83Å; F659-F698 HydrophobicContact CD2-CG 4.32Å; F659-F698 HydrophobicContact CE1-CB 4.25Å; F659-F698 HydrophobicContact CE2-CB 3.77Å; F659-F698 HydrophobicContact CG-CB 4.1Å; F659-F698 HydrophobicContact CG-CD1 4.45Å; F659-F698 HydrophobicContact CG-CG 4.24Å; F659-F698 HydrophobicContact CZ-CB 3.99Å; E696-F698 PolarHBondContact O-N 3.33Å; F698-A700 VanDerWaalsContact C-N 3.29Å; F698-A700 HydrophobicContact CD1-CB 4.1Å; F698-A700 HydrophobicContact CE1-CB 3.8Å; F698-A700 PolarHBondContact O-N 2.83Å; F698-V703 HydrophobicContact CE2-CG2 3.92Å; F698-V703 HydrophobicContact CZ-CB 4.4Å; F698-V703 HydrophobicContact CZ-CG2 4.06Å
699	D	80.3	Confident	64.2	Low	93 Å²	93	97.5 Å²	97.5	50%	0.497	55%	0.551	S	S	.	*			trans	-74.4	88.8	174.2	-169.1	-8.2	0	0	0	109.1	E697 A701 D702 V703	E697-D699 VanDerWaalsContact C-N 3.29Å; E697-D699 PolarHBondContact O-N 3.1Å; D699-A701 PolarHBondContact O-N 2.98Å; D699-A701 WeakPolarHBondContact OD1-CA 3.21Å; D699-A701 VanDerWaalsContact OD1-CB 3.29Å; D699-A701 WeakPolarHBondContact OD1-CB 3.49Å; D699-A701 PolarHBondContact OD1-N 3.03Å; D699-D702 HydrophobicContact CB-CB 4.09Å; D699-D702 PolarHBondContact O-N 3.35Å; D699-D702 PolarHBondContact OD1-N 3.08Å; D699-V703 PolarHBondContact O-N 3.29Å
700	A	80.1	Confident	67.1	Low	28 Å²	28	91.4 Å²	91.4	23%	0.231	52%	0.522	C	S	.	.	H	α-helix	trans	-55.8	-34.8	175.5	0	0	0	0	0	111.2	F698 V703 F704	F698-A700 VanDerWaalsContact C-N 3.29Å; F698-A700 HydrophobicContact CD1-CB 4.1Å; F698-A700 HydrophobicContact CE1-CB 3.8Å; F698-A700 PolarHBondContact O-N 2.83Å; A700-V703 PolarHBondContact O-N 2.95Å; A700-F704 WeakPolarHBondContact O-CB 3.31Å; A700-F704 WeakPolarHBondContact O-CD2 3.45Å; A700-F704 PolarHBondContact O-N 3.41Å
701	A	85.1	Confident	70.2	Confident	62 Å²	62	88.1 Å²	88.1	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-66.3	-41.7	-177.7	0	0	0	0	0	111.3	D699 F704 M705	D699-A701 PolarHBondContact O-N 2.98Å; D699-A701 WeakPolarHBondContact OD1-CA 3.21Å; D699-A701 VanDerWaalsContact OD1-CB 3.29Å; D699-A701 WeakPolarHBondContact OD1-CB 3.49Å; D699-A701 PolarHBondContact OD1-N 3.03Å; A701-F704 PolarHBondContact O-N 2.79Å; A701-M705 WeakPolarHBondContact O-CB 3.46Å; A701-M705 PolarHBondContact O-N 3.15Å
702	D	87.6	Confident	73.3	Confident	96 Å²	96	90.4 Å²	90.4	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-65.7	-45.2	177.1	-169.1	30.1	0	0	0	111.8	D699 F704 M705 H706	D699-D702 HydrophobicContact CB-CB 4.09Å; D699-D702 PolarHBondContact O-N 3.35Å; D699-D702 PolarHBondContact OD1-N 3.08Å; D702-F704 VanDerWaalsContact C-N 3.34Å; D702-F704 PolarHBondContact O-N 3.43Å; D702-M705 PolarHBondContact O-N 2.88Å; D702-M705 VanDerWaalsContact O-N 3.15Å; D702-H706 WeakPolarHBondContact O-CB 3.3Å; D702-H706 PolarHBondContact O-N 3.01Å
703	V	85.6	Confident	76.2	Confident	35 Å²	35	89.6 Å²	89.6	21%	0.212	47%	0.471	C	S	.	.	H	α-helix	trans	-61.2	-42.7	177.2	179.3	0	0	0	0	111.6	P652 E655 F698 D699 A700 Q707	P652-V703 HydrophobicContact CB-CG1 4.14Å; E655-V703 WeakPolarHBondContact OE2-CG1 3.2Å; F698-V703 HydrophobicContact CE2-CG2 3.92Å; F698-V703 HydrophobicContact CZ-CB 4.4Å; F698-V703 HydrophobicContact CZ-CG2 4.06Å; D699-V703 PolarHBondContact O-N 3.29Å; A700-V703 PolarHBondContact O-N 2.95Å; V703-Q707 WeakPolarHBondContact O-CB 3.36Å; V703-Q707 PolarHBondContact O-N 2.83Å
704	F	88	Confident	78.9	Confident	71 Å²	71	86 Å²	86	31%	0.311	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-41.6	175.3	-91.9	-78.6	0	0	0	111.8	L649 P652 L653 A700 A701 D702 A708	L649-F704 HydrophobicContact CD2-CE1 3.95Å; P652-F704 HydrophobicContact CB-CD1 3.86Å; P652-F704 HydrophobicContact CB-CD2 3.95Å; P652-F704 HydrophobicContact CB-CE1 3.72Å; P652-F704 HydrophobicContact CB-CE2 3.81Å; P652-F704 HydrophobicContact CB-CG 3.97Å; P652-F704 HydrophobicContact CB-CZ 3.7Å; P652-F704 HydrophobicContact CG-CD1 3.72Å; P652-F704 HydrophobicContact CG-CE1 3.5Å; P652-F704 HydrophobicContact CG-CE2 4.5Å; P652-F704 HydrophobicContact CG-CG 4.32Å; P652-F704 HydrophobicContact CG-CZ 3.93Å; L653-F704 HydrophobicContact CG-CZ 4.46Å; A700-F704 WeakPolarHBondContact O-CB 3.31Å; A700-F704 WeakPolarHBondContact O-CD2 3.45Å; A700-F704 PolarHBondContact O-N 3.41Å; A701-F704 PolarHBondContact O-N 2.79Å; D702-F704 VanDerWaalsContact C-N 3.34Å; D702-F704 PolarHBondContact O-N 3.43Å; F704-A708 VanDerWaalsContact O-CB 3.29Å; F704-A708 WeakPolarHBondContact O-CB 3.45Å; F704-A708 PolarHBondContact O-N 3.32Å
705	M	89.9	Confident	81.6	Confident	117 Å²	117	79.7 Å²	79.7	58%	0.576	41%	0.406	S	S	*	.	H	α-helix	trans	-65.3	-48.1	179.4	-168.8	-174.3	-51.3	0	0	111.5	A701 D702 Q707 A708 I709	A701-M705 WeakPolarHBondContact O-CB 3.46Å; A701-M705 PolarHBondContact O-N 3.15Å; D702-M705 PolarHBondContact O-N 2.88Å; D702-M705 VanDerWaalsContact O-N 3.15Å; M705-Q707 VanDerWaalsContact C-N 3.35Å; M705-Q707 PolarHBondContact O-N 3.44Å; M705-A708 PolarHBondContact O-N 3.17Å; M705-I709 HydrophobicContact CG-CD1 4.19Å; M705-I709 WeakPolarHBondContact O-CG1 3.48Å; M705-I709 PolarHBondContact O-N 3.44Å
706	H	88.6	Confident	83.9	Confident	126 Å²	126	76.3 Å²	76.3	58%	0.583	39%	0.393	S	S	*	.	H	α-helix	trans	-60.8	-44	178.3	-172.8	76	0	0	0	111.6	D702 A708 I709 H710	D702-H706 WeakPolarHBondContact O-CB 3.3Å; D702-H706 PolarHBondContact O-N 3.01Å; H706-A708 PolarHBondContact O-N 3.38Å; H706-I709 PolarHBondContact O-N 3.01Å; H706-H710 WeakPolarHBondContact O-CB 3.46Å; H706-H710 PolarHBondContact O-N 2.95Å
707	Q	89.4	Confident	85.9	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.028	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-36.1	176.7	-171.7	66.4	21.9	0	0	112.4	L647 P652 V703 M705 H710 T711	L647-Q707 PolarHBondContact O-NE2 3.35Å; P652-Q707 HydrophobicContact CG-CG 4.46Å; V703-Q707 WeakPolarHBondContact O-CB 3.36Å; V703-Q707 PolarHBondContact O-N 2.83Å; M705-Q707 VanDerWaalsContact C-N 3.35Å; M705-Q707 PolarHBondContact O-N 3.44Å; Q707-H710 PolarHBondContact O-N 3.41Å; Q707-T711 WeakPolarHBondContact O-CB 3.33Å; Q707-T711 PolarHBondContact O-N 3.16Å; Q707-T711 PolarHBondContact O-OG1 3.35Å
708	A	90.6	Very high	87.5	Confident	28 Å²	28	59.9 Å²	59.9	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-44.9	175.9	0	0	0	0	0	111.9	L648 F704 M705 H706 T711 I712	L648-A708 HydrophobicContact CD1-CB 3.73Å; F704-A708 VanDerWaalsContact O-CB 3.29Å; F704-A708 WeakPolarHBondContact O-CB 3.45Å; F704-A708 PolarHBondContact O-N 3.32Å; M705-A708 PolarHBondContact O-N 3.17Å; H706-A708 PolarHBondContact O-N 3.38Å; A708-T711 PolarHBondContact O-N 3.12Å; A708-I712 WeakPolarHBondContact O-CG1 3.42Å; A708-I712 PolarHBondContact O-N 2.86Å
709	I	91.6	Very high	88.6	Confident	95 Å²	95	61.3 Å²	61.3	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-50.3	175	-66.1	166.2	0	0	0	109.8	M705 H706 T711 I712 E713	M705-I709 HydrophobicContact CG-CD1 4.19Å; M705-I709 WeakPolarHBondContact O-CG1 3.48Å; M705-I709 PolarHBondContact O-N 3.44Å; H706-I709 PolarHBondContact O-N 3.01Å; I709-T711 VanDerWaalsContact C-N 3.31Å; I709-T711 PolarHBondContact O-N 3.14Å; I709-I712 PolarHBondContact O-N 2.99Å; I709-E713 VanDerWaalsContact O-CB 3.3Å; I709-E713 WeakPolarHBondContact O-CB 3.45Å; I709-E713 PolarHBondContact O-N 3.44Å
710	H	90.1	Very high	89.2	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.296	33%	0.332	S	S	.	.	H	α-helix	trans	-57.1	-42.8	178.4	-178.7	-94.3	0	0	0	112.6	E573 H706 Q707 Y714	E573-H710 IonicContact OE1-CE1 2.73Å; E573-H710 PolarHBondContact OE1-CE1 2.91Å; E573-H710 VanDerWaalsContact OE1-CE1 3.23Å; H706-H710 WeakPolarHBondContact O-CB 3.46Å; H706-H710 PolarHBondContact O-N 2.95Å; Q707-H710 PolarHBondContact O-N 3.41Å; H710-Y714 VanDerWaalsContact O-CB 3.26Å; H710-Y714 WeakPolarHBondContact O-CB 3.36Å; H710-Y714 PolarHBondContact O-N 3.23Å
711	T	91.3	Very high	89.8	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-46.4	179.2	-57.6	0	0	0	0	111.6	V644 L647 L648 Q707 A708 I709 Y714 C715	V644-T711 HydrophobicContact CG1-CG2 4.23Å; L647-T711 HydrophobicContact CB-CG2 4.29Å; L647-T711 HydrophobicContact CD2-CG2 3.95Å; L647-T711 HydrophobicContact CG-CG2 4.04Å; L648-T711 HydrophobicContact CB-CG2 4.3Å; Q707-T711 WeakPolarHBondContact O-CB 3.33Å; Q707-T711 PolarHBondContact O-N 3.16Å; Q707-T711 PolarHBondContact O-OG1 3.35Å; A708-T711 PolarHBondContact O-N 3.12Å; I709-T711 VanDerWaalsContact C-N 3.31Å; I709-T711 PolarHBondContact O-N 3.14Å; T711-Y714 PolarHBondContact O-N 3.32Å; T711-C715 WeakPolarHBondContact O-CB 3.31Å; T711-C715 PolarHBondContact O-N 2.91Å; T711-C715 PolarHBondContact O-SG 3.13Å; T711-C715 VanDerWaalsContact O-SG 3.41Å
712	I	91.6	Very high	90.1	Very high	103 Å²	103	57.3 Å²	57.3	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-46	179.5	-67.8	168.4	0	0	0	110.5	A708 I709 Y714 C715 L716	A708-I712 WeakPolarHBondContact O-CG1 3.42Å; A708-I712 PolarHBondContact O-N 2.86Å; I709-I712 PolarHBondContact O-N 2.99Å; I712-Y714 VanDerWaalsContact C-N 3.33Å; I712-Y714 PolarHBondContact O-N 2.81Å; I712-C715 PolarHBondContact O-N 3.32Å; I712-L716 HydrophobicContact CG2-CD1 3.73Å; I712-L716 HydrophobicContact CG2-CG 4.41Å; I712-L716 WeakPolarHBondContact O-CB 3.31Å; I712-L716 PolarHBondContact O-N 3.29Å
713	E	91.4	Very high	90.2	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-43.3	177.8	-173.3	-179.4	170.9	0	0	111	I709 G717	I709-E713 VanDerWaalsContact O-CB 3.3Å; I709-E713 WeakPolarHBondContact O-CB 3.45Å; I709-E713 PolarHBondContact O-N 3.44Å; E713-G717 WeakPolarHBondContact O-CA 3.49Å; E713-G717 PolarHBondContact O-N 3.35Å
714	Y	90.5	Very high	90.6	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-52.6	176.9	-175.2	-85.7	0	0	0	111.8	E573 F576 M577 L647 H710 T711 I712 G717 C718 K800	E573-Y714 HydrophobicContact CB-CE1 3.9Å; E573-Y714 HydrophobicContact CB-CE2 3.95Å; E573-Y714 VanDerWaalsContact CB-CZ 3.48Å; E573-Y714 WeakPolarHBondContact CB-OH 3.36Å; E573-Y714 HydrophobicContact CG-CD1 3.97Å; E573-Y714 HydrophobicContact CG-CD2 3.92Å; E573-Y714 HydrophobicContact CG-CE1 3.65Å; E573-Y714 HydrophobicContact CG-CE2 3.56Å; E573-Y714 HydrophobicContact CG-CG 4.12Å; E573-Y714 VanDerWaalsContact CG-CZ 3.44Å; E573-Y714 PolarHBondContact O-OH 2.79Å; E573-Y714 WeakPolarHBondContact OE2-CE2 3.46Å; F576-Y714 HydrophobicContact CD1-CE1 4.16Å; M577-Y714 HydrophobicContact CG-CE1 4.41Å; M577-Y714 WeakPolarHBondContact CG-OH 3.41Å; L647-Y714 HydrophobicContact CD2-CD1 4.5Å; H710-Y714 VanDerWaalsContact O-CB 3.26Å; H710-Y714 WeakPolarHBondContact O-CB 3.36Å; H710-Y714 PolarHBondContact O-N 3.23Å; T711-Y714 PolarHBondContact O-N 3.32Å; I712-Y714 VanDerWaalsContact C-N 3.33Å; I712-Y714 PolarHBondContact O-N 2.81Å; Y714-G717 PolarHBondContact O-N 3.4Å; Y714-C718 WeakPolarHBondContact CE1-SG 3.28Å; Y714-C718 VanDerWaalsContact CZ-SG 3.54Å; Y714-C718 WeakPolarHBondContact O-CB 3.2Å; Y714-C718 PolarHBondContact O-N 3.02Å; Y714-C718 PolarHBondContact O-SG 3.29Å; Y714-K800 HydrophobicContact CD2-CD 4.31Å; Y714-K800 HydrophobicContact CE2-CD 3.88Å
715	C	89.9	Confident	90.9	Very high	20 Å²	20	51 Å²	51	14%	0.135	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-48.9	-175.3	-72.6	0	0	0	0	112.6	F576 T711 I712	F576-C715 HydrophobicContact CZ-CB 4.29Å; T711-C715 WeakPolarHBondContact O-CB 3.31Å; T711-C715 PolarHBondContact O-N 2.91Å; T711-C715 PolarHBondContact O-SG 3.13Å; T711-C715 VanDerWaalsContact O-SG 3.41Å; I712-C715 PolarHBondContact O-N 3.32Å
716	L	89.9	Confident	91.1	Very high	115 Å²	115	48.3 Å²	48.3	60%	0.602	27%	0.268	S	S	*	.	H	α-helix	trans	-70.6	-38.8	177.2	-65.7	177.2	0	0	0	111.3	I712 C718 I719 S720	I712-L716 HydrophobicContact CG2-CD1 3.73Å; I712-L716 HydrophobicContact CG2-CG 4.41Å; I712-L716 WeakPolarHBondContact O-CB 3.31Å; I712-L716 PolarHBondContact O-N 3.29Å; L716-C718 VanDerWaalsContact C-N 3.31Å; L716-C718 PolarHBondContact O-N 3.17Å; L716-I719 PolarHBondContact O-N 3.47Å; L716-S720 PolarHBondContact O-N 2.86Å; L716-S720 VanDerWaalsContact O-N 3.12Å
717	G	89.7	Confident	91.4	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-37.5	176.4	0	0	0	0	0	112.2	E713 Y714 I719 S720 N721	E713-G717 WeakPolarHBondContact O-CA 3.49Å; E713-G717 PolarHBondContact O-N 3.35Å; Y714-G717 PolarHBondContact O-N 3.4Å; G717-I719 VanDerWaalsContact C-N 3.34Å; G717-I719 PolarHBondContact O-N 2.97Å; G717-S720 PolarHBondContact O-N 3.49Å; G717-N721 WeakPolarHBondContact O-CA 3.42Å; G717-N721 WeakPolarHBondContact O-CB 3.47Å; G717-N721 PolarHBondContact O-N 2.96Å; G717-N721 PolarHBondContact O-ND2 3.47Å; G717-N721 PolarHBondContact O-OD1 2.85Å
718	C	88.6	Confident	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-38.5	177.7	-76.2	0	0	0	0	113.2	F576 M577 F581 Y714 L716 T722 K800	F576-C718 HydrophobicContact CE1-CB 4.17Å; M577-C718 HydrophobicContact SD-CB 3.53Å; M577-C718 VanDerWaalsContact SD-CB 3.53Å; M577-C718 PolarHBondContact SD-SG 2.73Å; F581-C718 HydrophobicContact CE2-CB 4.27Å; Y714-C718 WeakPolarHBondContact CE1-SG 3.28Å; Y714-C718 VanDerWaalsContact CZ-SG 3.54Å; Y714-C718 WeakPolarHBondContact O-CB 3.2Å; Y714-C718 PolarHBondContact O-N 3.02Å; Y714-C718 PolarHBondContact O-SG 3.29Å; L716-C718 VanDerWaalsContact C-N 3.31Å; L716-C718 PolarHBondContact O-N 3.17Å; C718-T722 WeakPolarHBondContact O-CB 3.42Å; C718-T722 PolarHBondContact O-N 2.85Å; C718-T722 VanDerWaalsContact O-N 3.1Å; C718-T722 PolarHBondContact O-OG1 2.9Å; C718-K800 PolarHBondContact SG-NZ 3.37Å; C718-K800 VanDerWaalsContact SG-NZ 3.37Å
719	I	90.9	Very high	91.8	Very high	90 Å²	90	46.3 Å²	46.3	46%	0.462	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-49.7	175	-58.5	168.5	0	0	0	110.1	F581 L716 G717 N721 T722 A723	F581-I719 HydrophobicContact CZ-CB 4.37Å; F581-I719 HydrophobicContact CZ-CG1 3.97Å; L716-I719 PolarHBondContact O-N 3.47Å; G717-I719 VanDerWaalsContact C-N 3.34Å; G717-I719 PolarHBondContact O-N 2.97Å; I719-N721 PolarHBondContact O-N 3.35Å; I719-T722 PolarHBondContact O-N 3.28Å; I719-A723 PolarHBondContact O-N 3.5Å; I719-A723 VanDerWaalsContact O-N 3.08Å
720	S	92.9	Very high	91.9	Very high	76 Å²	76	44 Å²	44	53%	0.531	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-47.4	-179.9	-175.4	0	0	0	0	112	L716 G717 T722 A723 S724	L716-S720 PolarHBondContact O-N 2.86Å; L716-S720 VanDerWaalsContact O-N 3.12Å; G717-S720 PolarHBondContact O-N 3.49Å; S720-T722 PolarHBondContact O-N 3.09Å; S720-A723 PolarHBondContact O-N 3.49Å; S720-S724 WeakPolarHBondContact O-CB 3.36Å; S720-S724 PolarHBondContact O-N 3.28Å
721	N	92	Very high	92.1	Very high	14 Å²	14	42 Å²	42	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-40.3	-179.7	-67.2	-6.7	0	0	0	111	M546 G717 I719 S724 Y725 E796	M546-N721 HydrophobicContact SD-CB 3.74Å; G717-N721 WeakPolarHBondContact O-CA 3.42Å; G717-N721 WeakPolarHBondContact O-CB 3.47Å; G717-N721 PolarHBondContact O-N 2.96Å; G717-N721 PolarHBondContact O-ND2 3.47Å; G717-N721 PolarHBondContact O-OD1 2.85Å; I719-N721 PolarHBondContact O-N 3.35Å; N721-S724 WeakPolarHBondContact O-CB 3.31Å; N721-S724 PolarHBondContact O-N 3.39Å; N721-Y725 WeakPolarHBondContact O-CD2 3.48Å; N721-Y725 PolarHBondContact O-N 3.04Å; N721-E796 HydrophobicContact CB-CB 4.4Å; N721-E796 HydrophobicContact CB-CG 3.75Å
722	T	91.4	Very high	92.2	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-45.9	175.1	-54.5	0	0	0	0	111.5	I543 M546 F581 C718 I719 S720 S724 Y725	I543-T722 HydrophobicContact CD1-CG2 4.22Å; I543-T722 HydrophobicContact CG1-CG2 4.03Å; M546-T722 HydrophobicContact CE-CG2 4.39Å; M546-T722 WeakPolarHBondContact CE-OG1 3.23Å; F581-T722 HydrophobicContact CD1-CG2 3.73Å; F581-T722 HydrophobicContact CE1-CG2 3.87Å; F581-T722 HydrophobicContact CG-CG2 4.46Å; C718-T722 WeakPolarHBondContact O-CB 3.42Å; C718-T722 PolarHBondContact O-N 2.85Å; C718-T722 VanDerWaalsContact O-N 3.1Å; C718-T722 PolarHBondContact O-OG1 2.9Å; I719-T722 PolarHBondContact O-N 3.28Å; S720-T722 PolarHBondContact O-N 3.09Å; T722-S724 VanDerWaalsContact C-N 3.25Å; T722-S724 PolarHBondContact O-N 2.96Å; T722-Y725 PolarHBondContact O-N 3.37Å
723	A	91.2	Very high	92.2	Very high	56 Å²	56	39.3 Å²	39.3	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-33.9	176.3	0	0	0	0	0	112.1	I719 S720 Y725 L726	I719-A723 PolarHBondContact O-N 3.5Å; I719-A723 VanDerWaalsContact O-N 3.08Å; S720-A723 PolarHBondContact O-N 3.49Å; A723-Y725 PolarHBondContact O-N 2.91Å; A723-L726 WeakPolarHBondContact O-CB 3.27Å; A723-L726 VanDerWaalsContact O-CG 3.28Å; A723-L726 WeakPolarHBondContact O-CG 3.25Å; A723-L726 PolarHBondContact O-N 3.15Å
724	S	93.3	Very high	92.3	Very high	14 Å²	14	36.2 Å²	36.2	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-32.3	177	-156.5	0	0	0	0	113.3	S720 N721 T722 L726 R727 E796	S720-S724 WeakPolarHBondContact O-CB 3.36Å; S720-S724 PolarHBondContact O-N 3.28Å; N721-S724 WeakPolarHBondContact O-CB 3.31Å; N721-S724 PolarHBondContact O-N 3.39Å; T722-S724 VanDerWaalsContact C-N 3.25Å; T722-S724 PolarHBondContact O-N 2.96Å; S724-L726 PolarHBondContact O-N 3.25Å; S724-R727 WeakPolarHBondContact O-CB 3.46Å; S724-R727 VanDerWaalsContact O-CG 3.28Å; S724-R727 WeakPolarHBondContact O-CG 3.33Å; S724-R727 PolarHBondContact O-N 2.79Å; S724-R727 PolarHBondContact OG-NH1 3.21Å; S724-R727 PolarHBondContact OG-NH2 3.21Å; S724-E796 WeakPolarHBondContact CB-OE1 3.33Å; S724-E796 PolarHBondContact OG-OE1 3.43Å
725	Y	94.8	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.1	176.7	-79	-83.7	0	0	0	114.1	S538 H545 M546 N721 T722 A723 R727 L728 L792 E796	S538-Y725 WeakPolarHBondContact CB-O 3.35Å; H545-Y725 AromaticContact ND1-CE1 3.93Å; H545-Y725 AromaticContact ND1-CZ 3.79Å; H545-Y725 PolarHBondContact ND1-OH 3.43Å; M546-Y725 HydrophobicContact CE-CD2 4.04Å; M546-Y725 HydrophobicContact CE-CE2 3.88Å; M546-Y725 HydrophobicContact CG-CE2 3.61Å; M546-Y725 HydrophobicContact SD-CD2 4.28Å; M546-Y725 HydrophobicContact SD-CE2 3.67Å; N721-Y725 WeakPolarHBondContact O-CD2 3.48Å; N721-Y725 PolarHBondContact O-N 3.04Å; T722-Y725 PolarHBondContact O-N 3.37Å; A723-Y725 PolarHBondContact O-N 2.91Å; Y725-R727 PolarHBondContact O-N 3.24Å; Y725-L728 HydrophobicContact CD1-CD1 3.79Å; Y725-L728 HydrophobicContact CD1-CG 4.5Å; Y725-L728 WeakPolarHBondContact O-CB 3.27Å; Y725-L728 PolarHBondContact O-N 3.27Å; Y725-L792 HydrophobicContact CD1-CD1 4.03Å; Y725-L792 HydrophobicContact CD1-CD2 3.91Å; Y725-L792 HydrophobicContact CE1-CB 4.39Å; Y725-L792 HydrophobicContact CE1-CD1 4.07Å; Y725-L792 HydrophobicContact CE1-CD2 3.89Å; Y725-L792 HydrophobicContact CE1-CG 4.34Å; Y725-L792 HydrophobicContact CE2-CD2 4.46Å; Y725-L792 HydrophobicContact CG-CD2 4.24Å; Y725-E796 HydrophobicContact CE2-CB 3.86Å; Y725-E796 HydrophobicContact CE2-CG 4.07Å
726	L	93.3	Very high	92.4	Very high	59 Å²	59	35.3 Å²	35.3	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-59	-18.9	171.3	-66.9	174.9	0	0	0	112.6	M535 V539 A723 S724 L728 W729 A730	M535-L726 HydrophobicContact CG-CD2 3.83Å; V539-L726 HydrophobicContact CG2-CD2 3.94Å; A723-L726 WeakPolarHBondContact O-CB 3.27Å; A723-L726 VanDerWaalsContact O-CG 3.28Å; A723-L726 WeakPolarHBondContact O-CG 3.25Å; A723-L726 PolarHBondContact O-N 3.15Å; S724-L726 PolarHBondContact O-N 3.25Å; L726-L728 PolarHBondContact O-N 2.87Å; L726-W729 HydrophobicContact CB-CE3 4.36Å; L726-W729 HydrophobicContact CD2-CE3 4.28Å; L726-W729 WeakPolarHBondContact O-CB 3.33Å; L726-W729 PolarHBondContact O-N 3.08Å; L726-W729 VanDerWaalsContact O-N 3.11Å; L726-A730 PolarHBondContact O-N 2.82Å
727	R	94.8	Very high	92.5	Very high	59 Å²	59	32.3 Å²	32.3	22%	0.223	19%	0.193	C	C	.	.	H	α-helix	trans	-56.2	-37.1	170.5	-68.5	-174.9	-159.2	116.7	13.2	112.9	S724 Y725 W729 A730 L731 E796	S724-R727 WeakPolarHBondContact O-CB 3.46Å; S724-R727 VanDerWaalsContact O-CG 3.28Å; S724-R727 WeakPolarHBondContact O-CG 3.33Å; S724-R727 PolarHBondContact O-N 2.79Å; S724-R727 PolarHBondContact OG-NH1 3.21Å; S724-R727 PolarHBondContact OG-NH2 3.21Å; Y725-R727 PolarHBondContact O-N 3.24Å; R727-W729 PolarHBondContact O-N 3.22Å; R727-A730 PolarHBondContact O-N 3.03Å; R727-L731 HydrophobicContact CB-CD1 4.14Å; R727-L731 WeakPolarHBondContact O-CD1 3.44Å; R727-L731 PolarHBondContact O-N 3.32Å; R727-E796 IonicContact NH1-OE1 3.3Å
728	L	94.2	Very high	92.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-54.6	-43.6	176.5	-68.9	170.4	0	0	0	110.9	L399 V402 M403 V541 Y725 L726 S732 L792	L399-L728 HydrophobicContact CB-CD2 4.26Å; L399-L728 HydrophobicContact CD2-CD1 4.25Å; L399-L728 HydrophobicContact CD2-CD2 4.24Å; V402-L728 HydrophobicContact CB-CD2 4.36Å; V402-L728 HydrophobicContact CG1-CB 4.1Å; V402-L728 HydrophobicContact CG1-CD2 4.14Å; M403-L728 HydrophobicContact CE-CD2 3.36Å; M403-L728 HydrophobicContact CE-CG 3.99Å; M403-L728 HydrophobicContact CG-CD2 3.77Å; M403-L728 HydrophobicContact SD-CD2 4.37Å; V541-L728 HydrophobicContact CB-CD1 4.47Å; V541-L728 HydrophobicContact CG1-CD1 4.18Å; Y725-L728 HydrophobicContact CD1-CD1 3.79Å; Y725-L728 HydrophobicContact CD1-CG 4.5Å; Y725-L728 WeakPolarHBondContact O-CB 3.27Å; Y725-L728 PolarHBondContact O-N 3.27Å; L726-L728 PolarHBondContact O-N 2.87Å; L728-S732 WeakPolarHBondContact O-CB 3.2Å; L728-S732 PolarHBondContact O-N 3.41Å; L728-L792 HydrophobicContact CD2-CD1 3.95Å; L728-L792 HydrophobicContact CG-CD1 4.04Å
729	W	94.5	Very high	92.7	Very high	59 Å²	59	34.7 Å²	34.7	22%	0.223	20%	0.202	C	C	.	.	H	α-helix	trans	-71.5	-50	177	157.7	52.7	0	0	0	112	N531 K534 M535 L726 R727 L731 S732 L733	N531-W729 WeakPolarHBondContact OD1-CZ2 3.45Å; N531-W729 PolarHBondContact OD1-NE1 3.25Å; N531-W729 VanDerWaalsContact OD1-NE1 3.17Å; K534-W729 HydrophobicContact CB-CB 4.43Å; K534-W729 VanDerWaalsContact CB-CD1 3.44Å; K534-W729 HydrophobicContact CB-CG 4.24Å; M535-W729 HydrophobicContact CB-CD2 3.96Å; M535-W729 HydrophobicContact CB-CE3 4.31Å; M535-W729 HydrophobicContact CB-CG 4.11Å; M535-W729 HydrophobicContact CG-CD2 4.3Å; M535-W729 HydrophobicContact CG-CE3 4.13Å; L726-W729 HydrophobicContact CB-CE3 4.36Å; L726-W729 HydrophobicContact CD2-CE3 4.28Å; L726-W729 WeakPolarHBondContact O-CB 3.33Å; L726-W729 PolarHBondContact O-N 3.08Å; L726-W729 VanDerWaalsContact O-N 3.11Å; R727-W729 PolarHBondContact O-N 3.22Å; W729-L731 PolarHBondContact O-N 3.3Å; W729-S732 PolarHBondContact O-N 3.46Å; W729-L733 HydrophobicContact CZ2-CD1 4.48Å; W729-L733 WeakPolarHBondContact O-CB 2.86Å; W729-L733 PolarHBondContact O-N 2.91Å
730	A	93.8	Very high	92.7	Very high	46 Å²	46	33.3 Å²	33.3	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-46.7	-175	0	0	0	0	0	112.3	L726 R727 L733 A734	L726-A730 PolarHBondContact O-N 2.82Å; R727-A730 PolarHBondContact O-N 3.03Å; A730-L733 PolarHBondContact O-N 3.27Å; A730-A734 WeakPolarHBondContact O-CB 3.43Å; A730-A734 PolarHBondContact O-N 3.26Å
731	L	94.1	Very high	92.7	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-40.7	177.9	-82.5	85.5	0	0	0	111.8	M403 R727 W729 L733 A734 H735 A785 H788	M403-L731 HydrophobicContact CB-CB 4.19Å; M403-L731 HydrophobicContact CG-CB 4.35Å; M403-L731 HydrophobicContact SD-CB 4.48Å; M403-L731 HydrophobicContact SD-CD2 4.09Å; R727-L731 HydrophobicContact CB-CD1 4.14Å; R727-L731 WeakPolarHBondContact O-CD1 3.44Å; R727-L731 PolarHBondContact O-N 3.32Å; W729-L731 PolarHBondContact O-N 3.3Å; L731-L733 VanDerWaalsContact C-N 3.27Å; L731-L733 PolarHBondContact O-N 2.8Å; L731-A734 PolarHBondContact O-N 3.47Å; L731-H735 WeakPolarHBondContact O-CB 3.36Å; L731-H735 PolarHBondContact O-N 3.31Å; L731-A785 HydrophobicContact CD2-CB 4.3Å; L731-H788 HydrophobicContact CD2-CB 4.26Å
732	S	93.7	Very high	92.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-33.5	176.1	-172.1	0	0	0	0	113.2	V402 M403 Y461 K534 L728 W729 A736	V402-S732 WeakPolarHBondContact O-CB 3.43Å; V402-S732 PolarHBondContact O-OG 3Å; M403-S732 WeakPolarHBondContact O-CA 3.34Å; Y461-S732 WeakPolarHBondContact CE2-OG 3.36Å; K534-S732 WeakPolarHBondContact CE-OG 3.33Å; K534-S732 PolarHBondContact NZ-O 3.09Å; K534-S732 VanDerWaalsContact NZ-O 3.12Å; K534-S732 PolarHBondContact NZ-OG 2.96Å; L728-S732 WeakPolarHBondContact O-CB 3.2Å; L728-S732 PolarHBondContact O-N 3.41Å; W729-S732 PolarHBondContact O-N 3.46Å; S732-A736 WeakPolarHBondContact O-CB 3.29Å; S732-A736 PolarHBondContact O-N 3.47Å
733	L	91.8	Very high	92.6	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-74.4	-44.8	175.1	-170.8	148.8	0	0	0	111.1	N531 W729 A730 L731 H735 A736 Q737	N531-L733 HydrophobicContact CB-CD1 4.33Å; W729-L733 HydrophobicContact CZ2-CD1 4.48Å; W729-L733 WeakPolarHBondContact O-CB 2.86Å; W729-L733 PolarHBondContact O-N 2.91Å; A730-L733 PolarHBondContact O-N 3.27Å; L731-L733 VanDerWaalsContact C-N 3.27Å; L731-L733 PolarHBondContact O-N 2.8Å; L733-H735 PolarHBondContact O-N 3.24Å; L733-A736 PolarHBondContact O-N 3.36Å; L733-Q737 HydrophobicContact CD2-CG 4.01Å; L733-Q737 WeakPolarHBondContact O-CB 3.35Å; L733-Q737 WeakPolarHBondContact O-CG 3.07Å; L733-Q737 PolarHBondContact O-N 3.29Å
734	A	93.2	Very high	92.5	Very high	43 Å²	43	35 Å²	35	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-59.2	-46.5	177	0	0	0	0	0	111.7	A730 L731 A736 Q737 L738	A730-A734 WeakPolarHBondContact O-CB 3.43Å; A730-A734 PolarHBondContact O-N 3.26Å; L731-A734 PolarHBondContact O-N 3.47Å; A734-A736 PolarHBondContact O-N 2.82Å; A734-Q737 PolarHBondContact O-N 3.09Å; A734-L738 WeakPolarHBondContact O-CB 3Å; A734-L738 PolarHBondContact O-N 3.01Å
735	H	92.3	Very high	92.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-46.6	177.5	-177	69.9	0	0	0	112.4	F404 H409 L731 L733 Q737 S739	F404-H735 AromaticContact CD2-CE1 3.63Å; F404-H735 AromaticContact CD2-ND1 3.71Å; F404-H735 AromaticContact CE2-CE1 3.1Å; F404-H735 WeakPolarHBondContact CE2-CE1 3.37Å; F404-H735 AromaticContact CE2-ND1 3.46Å; F404-H735 WeakPolarHBondContact CE2-ND1 3.42Å; F404-H735 AromaticContact CE2-NE2 3.8Å; F404-H735 AromaticContact CZ-CE1 3.6Å; H409-H735 AromaticContact CE1-CE1 3.82Å; H409-H735 AromaticContact CE1-NE2 3.83Å; H409-H735 AromaticContact ND1-CE1 3.32Å; H409-H735 PolarHBondContact ND1-CE1 3.47Å; H409-H735 VanDerWaalsContact ND1-CE1 3.32Å; H409-H735 AromaticContact ND1-NE2 3.14Å; H409-H735 PolarHBondContact ND1-NE2 2.71Å; H409-H735 VanDerWaalsContact ND1-NE2 3.14Å; L731-H735 WeakPolarHBondContact O-CB 3.36Å; L731-H735 PolarHBondContact O-N 3.31Å; L733-H735 PolarHBondContact O-N 3.24Å; H735-Q737 PolarHBondContact O-N 2.78Å; H735-S739 WeakPolarHBondContact O-CB 3.45Å; H735-S739 PolarHBondContact O-N 3.01Å; H735-S739 PolarHBondContact O-OG 3.36Å
736	A	90.8	Very high	92	Very high	8 Å²	8	42.7 Å²	42.7	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-41.9	178	0	0	0	0	0	112	E463 S732 L733 A734 E740	E463-A736 WeakPolarHBondContact OE2-CB 3.06Å; S732-A736 WeakPolarHBondContact O-CB 3.29Å; S732-A736 PolarHBondContact O-N 3.47Å; L733-A736 PolarHBondContact O-N 3.36Å; A734-A736 PolarHBondContact O-N 2.82Å; A736-E740 WeakPolarHBondContact O-CB 3.43Å; A736-E740 PolarHBondContact O-N 3.4Å
737	Q	91.7	Very high	91.7	Very high	53 Å²	53	40.7 Å²	40.7	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-41.3	179.2	-71.2	-56.2	-72.4	0	0	113.1	L527 L733 A734 H735 S739 E740 V741	L527-Q737 HydrophobicContact CD2-CG 4.35Å; L733-Q737 HydrophobicContact CD2-CG 4.01Å; L733-Q737 WeakPolarHBondContact O-CB 3.35Å; L733-Q737 WeakPolarHBondContact O-CG 3.07Å; L733-Q737 PolarHBondContact O-N 3.29Å; A734-Q737 PolarHBondContact O-N 3.09Å; H735-Q737 PolarHBondContact O-N 2.78Å; Q737-S739 VanDerWaalsContact C-N 3.31Å; Q737-S739 PolarHBondContact O-N 3.41Å; Q737-E740 PolarHBondContact NE2-OE2 3.04Å; Q737-E740 PolarHBondContact O-N 2.88Å; Q737-V741 WeakPolarHBondContact O-CG2 2.99Å; Q737-V741 PolarHBondContact O-N 3.08Å
738	L	91.8	Very high	91.2	Very high	61 Å²	61	44.4 Å²	44.4	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-39.5	177.9	-162	144.8	0	0	0	110.7	A734 V741 L742 I776 L777	A734-L738 WeakPolarHBondContact O-CB 3Å; A734-L738 PolarHBondContact O-N 3.01Å; L738-V741 PolarHBondContact O-N 2.69Å; L738-L742 WeakPolarHBondContact O-CB 3.33Å; L738-L742 PolarHBondContact O-N 3.34Å; L738-I776 HydrophobicContact CD2-CG2 4.08Å; L738-L777 HydrophobicContact CB-CD2 4.31Å; L738-L777 HydrophobicContact CD2-CD1 4.27Å; L738-L777 HydrophobicContact CD2-CD2 3.42Å; L738-L777 VanDerWaalsContact CD2-CD2 3.42Å; L738-L777 HydrophobicContact CD2-CG 3.65Å; L738-L777 HydrophobicContact CG-CD2 4.46Å
739	S	91.3	Very high	90.8	Very high	5 Å²	5	49 Å²	49	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-42.9	173.2	-57.4	0	0	0	0	112.1	H735 Q737 L742 W743 L777	H735-S739 WeakPolarHBondContact O-CB 3.45Å; H735-S739 PolarHBondContact O-N 3.01Å; H735-S739 PolarHBondContact O-OG 3.36Å; Q737-S739 VanDerWaalsContact C-N 3.31Å; Q737-S739 PolarHBondContact O-N 3.41Å; S739-L742 PolarHBondContact O-N 3.01Å; S739-W743 WeakPolarHBondContact O-CB 3.35Å; S739-W743 PolarHBondContact O-N 3.31Å; S739-L777 VanDerWaalsContact OG-CD2 3.29Å; S739-L777 WeakPolarHBondContact OG-CD2 3.44Å
740	E	90.4	Very high	90.2	Very high	60 Å²	60	46.2 Å²	46.2	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-45.6	177.3	-174.7	169.8	-178.3	0	0	112	S466 K526 A736 Q737 L742 W743 V744	S466-E740 VanDerWaalsContact CB-CA 3.49Å; K526-E740 IonicContact NZ-OE2 3.09Å; A736-E740 WeakPolarHBondContact O-CB 3.43Å; A736-E740 PolarHBondContact O-N 3.4Å; Q737-E740 PolarHBondContact NE2-OE2 3.04Å; Q737-E740 PolarHBondContact O-N 2.88Å; E740-L742 PolarHBondContact O-N 2.98Å; E740-W743 PolarHBondContact O-N 2.89Å; E740-V744 HydrophobicContact CG-CG2 4.43Å; E740-V744 WeakPolarHBondContact O-CB 3.28Å; E740-V744 VanDerWaalsContact O-CG2 3.26Å; E740-V744 WeakPolarHBondContact O-CG2 3.35Å; E740-V744 PolarHBondContact O-N 3.23Å
741	V	91.8	Very high	89.7	Confident	76 Å²	76	49.5 Å²	49.5	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-44.6	176.9	171.1	0	0	0	0	110.9	Q737 L738 W743 V744 M745	Q737-V741 WeakPolarHBondContact O-CG2 2.99Å; Q737-V741 PolarHBondContact O-N 3.08Å; L738-V741 PolarHBondContact O-N 2.69Å; V741-W743 VanDerWaalsContact C-N 3.35Å; V741-W743 PolarHBondContact O-N 2.96Å; V741-V744 PolarHBondContact O-N 3.3Å; V741-M745 HydrophobicContact CG1-CG 4.21Å; V741-M745 HydrophobicContact CG1-SD 3.93Å; V741-M745 WeakPolarHBondContact O-CB 3.44Å; V741-M745 WeakPolarHBondContact O-CG 3.5Å; V741-M745 PolarHBondContact O-N 3.18Å
742	L	91.3	Very high	89.3	Confident	18 Å²	18	58.3 Å²	58.3	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-42.5	-179.9	-157.9	158	0	0	0	110.7	L738 S739 E740 V746 F769 L772 L777	L738-L742 WeakPolarHBondContact O-CB 3.33Å; L738-L742 PolarHBondContact O-N 3.34Å; S739-L742 PolarHBondContact O-N 3.01Å; E740-L742 PolarHBondContact O-N 2.98Å; L742-V746 HydrophobicContact CD2-CG2 4.44Å; L742-V746 VanDerWaalsContact O-CB 3.3Å; L742-V746 WeakPolarHBondContact O-CB 3.48Å; L742-V746 WeakPolarHBondContact O-CG2 3.41Å; L742-V746 PolarHBondContact O-N 3.46Å; L742-F769 HydrophobicContact CD2-CD2 3.1Å; L742-F769 HydrophobicContact CD2-CE2 3.15Å; L742-F769 HydrophobicContact CD2-CG 4.13Å; L742-F769 HydrophobicContact CD2-CZ 4.2Å; L742-L772 HydrophobicContact CD1-CB 4.13Å; L742-L777 HydrophobicContact CD1-CD1 3.74Å
743	W	90.5	Very high	88.7	Confident	51 Å²	51	65 Å²	65	19%	0.193	31%	0.312	C	S	.	.	I	π-helix	trans	-62.5	-46.7	173.6	-173.9	-81.5	0	0	0	112.6	F465 S466 S739 E740 V741 M747 R748 F769	F465-W743 HydrophobicContact CB-CE3 4.32Å; F465-W743 HydrophobicContact CB-CZ3 4.27Å; S466-W743 VanDerWaalsContact OG-CB 3.3Å; S466-W743 WeakPolarHBondContact OG-CB 3.48Å; S739-W743 WeakPolarHBondContact O-CB 3.35Å; S739-W743 PolarHBondContact O-N 3.31Å; E740-W743 PolarHBondContact O-N 2.89Å; V741-W743 VanDerWaalsContact C-N 3.35Å; V741-W743 PolarHBondContact O-N 2.96Å; W743-M747 HydrophobicContact CD2-CB 4.06Å; W743-M747 HydrophobicContact CD2-CG 4.34Å; W743-M747 HydrophobicContact CE3-CB 4.32Å; W743-M747 HydrophobicContact CE3-CG 4.1Å; W743-M747 HydrophobicContact CG-CB 4.4Å; W743-M747 HydrophobicContact CZ2-CB 4.43Å; W743-M747 HydrophobicContact CZ3-CG 4.26Å; W743-M747 WeakPolarHBondContact O-CB 3.41Å; W743-M747 PolarHBondContact O-N 3.45Å; W743-M747 VanDerWaalsContact O-N 3.08Å; W743-R748 PolarHBondContact O-N 3.42Å; W743-R748 VanDerWaalsContact O-N 3.09Å; W743-F769 HydrophobicContact CE3-CE2 4.22Å; W743-F769 AromaticContact CE3-CZ 3.95Å; W743-F769 HydrophobicContact CE3-CZ 3.95Å; W743-F769 HydrophobicContact CZ3-CZ 4.28Å
744	V	89.8	Confident	88.3	Confident	46 Å²	46	72 Å²	72	28%	0.279	34%	0.343	S	S	.	.	I	π-helix	trans	-70.8	-37.7	-175.4	170.5	0	0	0	0	112.5	E740 V741 R748	E740-V744 HydrophobicContact CG-CG2 4.43Å; E740-V744 WeakPolarHBondContact O-CB 3.28Å; E740-V744 VanDerWaalsContact O-CG2 3.26Å; E740-V744 WeakPolarHBondContact O-CG2 3.35Å; E740-V744 PolarHBondContact O-N 3.23Å; V741-V744 PolarHBondContact O-N 3.3Å; V744-R748 VanDerWaalsContact CG2-NH2 3.3Å; V744-R748 WeakPolarHBondContact O-CB 3.29Å
745	M	88.1	Confident	87.9	Confident	142 Å²	142	72.3 Å²	72.3	70%	0.7	35%	0.35	S	S	*	.	I	π-helix	trans	-80.5	-37.3	-179.2	-72	-165.7	147.2	0	0	112.9	V741	V741-M745 HydrophobicContact CG1-CG 4.21Å; V741-M745 HydrophobicContact CG1-SD 3.93Å; V741-M745 WeakPolarHBondContact O-CB 3.44Å; V741-M745 WeakPolarHBondContact O-CG 3.5Å; V741-M745 PolarHBondContact O-N 3.18Å
746	V	88.9	Confident	87.5	Confident	33 Å²	33	82.8 Å²	82.8	20%	0.2	39%	0.391	C	S	.	.	I	π-helix	trans	-98	-61.1	-173.1	-174.5	0	0	0	0	111.3	L742 L749 A750 I765 F769	L742-V746 HydrophobicContact CD2-CG2 4.44Å; L742-V746 VanDerWaalsContact O-CB 3.3Å; L742-V746 WeakPolarHBondContact O-CB 3.48Å; L742-V746 WeakPolarHBondContact O-CG2 3.41Å; L742-V746 PolarHBondContact O-N 3.46Å; V746-L749 PolarHBondContact O-N 3.39Å; V746-A750 PolarHBondContact O-N 2.86Å; V746-I765 HydrophobicContact CG1-CG2 3.52Å; V746-F769 HydrophobicContact CB-CD2 4.35Å; V746-F769 HydrophobicContact CG1-CB 3.96Å; V746-F769 HydrophobicContact CG1-CD2 4.38Å
747	M	86.6	Confident	87.1	Confident	18 Å²	18	87.9 Å²	87.9	9%	0.089	42%	0.421	C	S	.	.	I	π-helix	trans	-70.7	-37.5	-173	-71.6	-59.1	-62.9	0	0	113.2	W743 L749 A750 L751 F766 F769	W743-M747 HydrophobicContact CD2-CB 4.06Å; W743-M747 HydrophobicContact CD2-CG 4.34Å; W743-M747 HydrophobicContact CE3-CB 4.32Å; W743-M747 HydrophobicContact CE3-CG 4.1Å; W743-M747 HydrophobicContact CG-CB 4.4Å; W743-M747 HydrophobicContact CZ2-CB 4.43Å; W743-M747 HydrophobicContact CZ3-CG 4.26Å; W743-M747 WeakPolarHBondContact O-CB 3.41Å; W743-M747 PolarHBondContact O-N 3.45Å; W743-M747 VanDerWaalsContact O-N 3.08Å; M747-L749 VanDerWaalsContact C-N 3.27Å; M747-L749 PolarHBondContact O-N 3.09Å; M747-A750 PolarHBondContact O-N 3.11Å; M747-L751 WeakPolarHBondContact O-CD1 3.49Å; M747-L751 WeakPolarHBondContact O-CG 3.36Å; M747-L751 PolarHBondContact O-N 3.3Å; M747-F766 HydrophobicContact CE-CD2 4.08Å; M747-F766 HydrophobicContact SD-CD2 4.12Å; M747-F769 HydrophobicContact CG-CB 4.43Å; M747-F769 HydrophobicContact CG-CD1 4.27Å; M747-F769 HydrophobicContact CG-CD2 3.4Å; M747-F769 VanDerWaalsContact CG-CD2 3.4Å; M747-F769 HydrophobicContact CG-CE1 4.44Å; M747-F769 HydrophobicContact CG-CE2 3.6Å; M747-F769 HydrophobicContact CG-CG 3.78Å; M747-F769 HydrophobicContact CG-CZ 4.15Å; M747-F769 HydrophobicContact SD-CB 3.93Å; M747-F769 HydrophobicContact SD-CD1 4.12Å; M747-F769 HydrophobicContact SD-CD2 4.01Å; M747-F769 HydrophobicContact SD-CG 3.75Å
748	R	85.8	Confident	86.7	Confident	136 Å²	136	85.5 Å²	85.5	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-34.9	178.3	-167	-174.7	-71.3	-163.8	-1.4	112.4	W743 V744 R752	W743-R748 PolarHBondContact O-N 3.42Å; W743-R748 VanDerWaalsContact O-N 3.09Å; V744-R748 VanDerWaalsContact CG2-NH2 3.3Å; V744-R748 WeakPolarHBondContact O-CB 3.29Å; R748-R752 PolarHBondContact O-N 3.31Å
749	L	84	Confident	86.3	Confident	98 Å²	98	86.3 Å²	86.3	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-44	176.6	-179.9	63.1	0	0	0	110.7	V746 M747 L751 R752	V746-L749 PolarHBondContact O-N 3.39Å; M747-L749 VanDerWaalsContact C-N 3.27Å; M747-L749 PolarHBondContact O-N 3.09Å; L749-L751 PolarHBondContact O-N 3.33Å; L749-R752 PolarHBondContact O-N 3.27Å
750	A	81.7	Confident	86.1	Confident	1 Å²	1	89.1 Å²	89.1	1%	0.008	45%	0.445	C	S	.	.	H	α-helix	trans	-64.1	-39.2	178.6	0	0	0	0	0	112.7	V746 M747 R752 I762 I765	V746-A750 PolarHBondContact O-N 2.86Å; M747-A750 PolarHBondContact O-N 3.11Å; A750-R752 VanDerWaalsContact C-N 3.26Å; A750-R752 PolarHBondContact O-N 2.84Å; A750-I762 HydrophobicContact CB-CG1 3.95Å; A750-I762 WeakPolarHBondContact O-CG1 3.12Å; A750-I765 HydrophobicContact CB-CB 4.03Å; A750-I765 HydrophobicContact CB-CD1 3.87Å; A750-I765 HydrophobicContact CB-CG2 3.85Å
751	L	84.3	Confident	86	Confident	114 Å²	114	88.8 Å²	88.8	60%	0.597	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.6	-178.6	-76.4	155.5	0	0	0	114.4	M747 L749	M747-L751 WeakPolarHBondContact O-CD1 3.49Å; M747-L751 WeakPolarHBondContact O-CG 3.36Å; M747-L751 PolarHBondContact O-N 3.3Å; L749-L751 PolarHBondContact O-N 3.33Å
752	R	85.4	Confident	85.9	Confident	207 Å²	207	88 Å²	88	78%	0.781	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.8	-177.2	-170	174.5	178.1	-174.4	-0.3	113.4	R748 L749 A750	R748-R752 PolarHBondContact O-N 3.31Å; L749-R752 PolarHBondContact O-N 3.27Å; A750-R752 VanDerWaalsContact C-N 3.26Å; A750-R752 PolarHBondContact O-N 2.84Å
753	W	81.1	Confident	85.8	Confident	144 Å²	144	94.4 Å²	94.4	55%	0.545	47%	0.465	S	S	.	.			trans	-95.6	116.1	-174.3	-68.2	12.7	0	0	0	110.4	L761	W753-L761 HydrophobicContact CD2-CD2 3.88Å; W753-L761 HydrophobicContact CE3-CD2 3.16Å; W753-L761 HydrophobicContact CH2-CD2 3.97Å; W753-L761 HydrophobicContact CZ3-CD2 3.24Å
754	E	83	Confident	85.8	Confident	194 Å²	194	96.4 Å²	96.4	91%	0.907	48%	0.483	S	S	*	.			trans	-87.9	145.8	177	-63.2	-178.8	179	0	0	111.2
755	G	86.1	Confident	85.8	Confident	49 Å²	49	95.7 Å²	95.7	51%	0.505	48%	0.477	S	S	.	.	S	Bend	trans	114.4	177.7	174.4	0	0	0	0	0	115.7	V757 G758 S759	G755-V757 VanDerWaalsContact C-N 3.34Å; G755-V757 PolarHBondContact O-N 2.76Å; G755-G758 WeakPolarHBondContact O-CA 3.31Å; G755-G758 PolarHBondContact O-N 3.3Å; G755-G758 VanDerWaalsContact O-N 3.08Å; G755-S759 PolarHBondContact O-N 3.27Å; G755-S759 VanDerWaalsContact O-N 3.11Å; G755-S759 PolarHBondContact O-OG 3.18Å
756	Y	82.7	Confident	86	Confident	224 Å²	224	94 Å²	94	88%	0.878	47%	0.466	S	S	*	.	H	α-helix	trans	-62.7	-37.3	-178.1	-73.1	-78.5	0	0	0	113.1	G758 S759 A760	Y756-G758 VanDerWaalsContact C-N 3.31Å; Y756-S759 WeakPolarHBondContact O-CB 3.45Å; Y756-S759 PolarHBondContact O-N 2.88Å; Y756-A760 PolarHBondContact O-N 2.82Å
757	V	82.4	Confident	86.1	Confident	116 Å²	116	94.6 Å²	94.6	70%	0.703	47%	0.474	S	S	*	.	H	α-helix	trans	-65.5	-37	173.8	-179.9	0	0	0	0	110.8	G755 S759 A760 L761	G755-V757 VanDerWaalsContact C-N 3.34Å; G755-V757 PolarHBondContact O-N 2.76Å; V757-S759 VanDerWaalsContact C-N 3.31Å; V757-S759 PolarHBondContact O-N 3.18Å; V757-A760 PolarHBondContact O-N 3.16Å; V757-L761 WeakPolarHBondContact O-CB 3.39Å; V757-L761 PolarHBondContact O-N 3.07Å
758	G	83.8	Confident	86.4	Confident	3 Å²	3	96 Å²	96	3%	0.031	49%	0.489	C	S	.	.	H	α-helix	trans	-60.7	-38.8	173.4	0	0	0	0	0	112.4	G755 Y756 L761 I762	G755-G758 WeakPolarHBondContact O-CA 3.31Å; G755-G758 PolarHBondContact O-N 3.3Å; G755-G758 VanDerWaalsContact O-N 3.08Å; Y756-G758 VanDerWaalsContact C-N 3.31Å; G758-L761 PolarHBondContact O-N 3.32Å; G758-I762 WeakPolarHBondContact O-CB 3.32Å; G758-I762 WeakPolarHBondContact O-CD1 3.46Å; G758-I762 WeakPolarHBondContact O-CG1 3.28Å; G758-I762 PolarHBondContact O-N 2.78Å
759	S	84.3	Confident	86.6	Confident	77 Å²	77	90.3 Å²	90.3	54%	0.538	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-43.7	178.1	-58.9	0	0	0	0	112.8	G755 Y756 V757 I762 F763	G755-S759 PolarHBondContact O-N 3.27Å; G755-S759 VanDerWaalsContact O-N 3.11Å; G755-S759 PolarHBondContact O-OG 3.18Å; Y756-S759 WeakPolarHBondContact O-CB 3.45Å; Y756-S759 PolarHBondContact O-N 2.88Å; V757-S759 VanDerWaalsContact C-N 3.31Å; V757-S759 PolarHBondContact O-N 3.18Å; S759-I762 PolarHBondContact O-N 3.38Å; S759-F763 PolarHBondContact O-N 3.45Å
760	A	87	Confident	87	Confident	65 Å²	65	87.3 Å²	87.3	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-65.6	-39.6	175.7	0	0	0	0	0	111.8	Y756 V757 F763 V764	Y756-A760 PolarHBondContact O-N 2.82Å; V757-A760 PolarHBondContact O-N 3.16Å; A760-F763 PolarHBondContact O-N 3.36Å; A760-V764 PolarHBondContact O-N 3.38Å
761	L	86.8	Confident	87.5	Confident	52 Å²	52	91.7 Å²	91.7	27%	0.272	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-40.2	177	-174.6	69.6	0	0	0	112.4	W753 V757 G758 F763 V764 I765	W753-L761 HydrophobicContact CD2-CD2 3.88Å; W753-L761 HydrophobicContact CE3-CD2 3.16Å; W753-L761 HydrophobicContact CH2-CD2 3.97Å; W753-L761 HydrophobicContact CZ3-CD2 3.24Å; V757-L761 WeakPolarHBondContact O-CB 3.39Å; V757-L761 PolarHBondContact O-N 3.07Å; G758-L761 PolarHBondContact O-N 3.32Å; L761-F763 VanDerWaalsContact C-N 3.25Å; L761-F763 PolarHBondContact O-N 3.28Å; L761-V764 PolarHBondContact O-N 3.09Å; L761-I765 HydrophobicContact CD1-CD1 3.99Å; L761-I765 HydrophobicContact CD1-CG1 4.2Å; L761-I765 HydrophobicContact CD2-CD1 3.97Å; L761-I765 HydrophobicContact CG-CD1 3.61Å; L761-I765 HydrophobicContact CG-CG1 4.14Å; L761-I765 WeakPolarHBondContact O-CG1 3.35Å; L761-I765 PolarHBondContact O-N 3.08Å
762	I	90.1	Very high	87.9	Confident	59 Å²	59	89.7 Å²	89.7	30%	0.303	47%	0.473	S	S	.	.	H	α-helix	trans	-57.2	-40.9	175.3	-74.7	163.5	0	0	0	110.4	A750 G758 S759 F766	A750-I762 HydrophobicContact CB-CG1 3.95Å; A750-I762 WeakPolarHBondContact O-CG1 3.12Å; G758-I762 WeakPolarHBondContact O-CB 3.32Å; G758-I762 WeakPolarHBondContact O-CD1 3.46Å; G758-I762 WeakPolarHBondContact O-CG1 3.28Å; G758-I762 PolarHBondContact O-N 2.78Å; S759-I762 PolarHBondContact O-N 3.38Å; I762-F766 WeakPolarHBondContact O-CB 3.48Å; I762-F766 PolarHBondContact O-N 3.22Å
763	F	89.8	Confident	88.2	Confident	154 Å²	154	80 Å²	80	68%	0.675	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-46.7	177.7	-178.5	-98.2	0	0	0	112.3	S759 A760 L761 F766 A767	S759-F763 PolarHBondContact O-N 3.45Å; A760-F763 PolarHBondContact O-N 3.36Å; L761-F763 VanDerWaalsContact C-N 3.25Å; L761-F763 PolarHBondContact O-N 3.28Å; F763-F766 PolarHBondContact O-N 3.34Å; F763-A767 PolarHBondContact O-N 2.92Å
764	V	90.4	Very high	88.8	Confident	93 Å²	93	76.4 Å²	76.4	56%	0.564	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-44.9	179.3	178.1	0	0	0	0	111.4	A760 L761 F766 A767 A768	A760-V764 PolarHBondContact O-N 3.38Å; L761-V764 PolarHBondContact O-N 3.09Å; V764-F766 VanDerWaalsContact C-N 3.33Å; V764-F766 PolarHBondContact O-N 3.46Å; V764-A767 WeakPolarHBondContact O-CB 3.43Å; V764-A767 PolarHBondContact O-N 3.41Å; V764-A768 PolarHBondContact O-N 3.46Å; V764-A768 VanDerWaalsContact O-N 3.08Å
765	I	90.6	Very high	89.2	Confident	30 Å²	30	70 Å²	70	15%	0.154	41%	0.407	C	S	.	.	H	α-helix	trans	-66.7	-37.1	178.4	-64.8	176.5	0	0	0	110.8	V746 A750 L761 A768 F769	V746-I765 HydrophobicContact CG1-CG2 3.52Å; A750-I765 HydrophobicContact CB-CB 4.03Å; A750-I765 HydrophobicContact CB-CD1 3.87Å; A750-I765 HydrophobicContact CB-CG2 3.85Å; L761-I765 HydrophobicContact CD1-CD1 3.99Å; L761-I765 HydrophobicContact CD1-CG1 4.2Å; L761-I765 HydrophobicContact CD2-CD1 3.97Å; L761-I765 HydrophobicContact CG-CD1 3.61Å; L761-I765 HydrophobicContact CG-CG1 4.14Å; L761-I765 WeakPolarHBondContact O-CG1 3.35Å; L761-I765 PolarHBondContact O-N 3.08Å; I765-A768 PolarHBondContact O-N 3.32Å; I765-F769 WeakPolarHBondContact O-CB 3.36Å; I765-F769 PolarHBondContact O-N 3.27Å
766	F	91.5	Very high	89.5	Confident	107 Å²	107	70.4 Å²	70.4	47%	0.469	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-39.3	174.5	-179	-97.7	0	0	0	111.8	M747 I762 F763 V764 A768 F769 A770	M747-F766 HydrophobicContact CE-CD2 4.08Å; M747-F766 HydrophobicContact SD-CD2 4.12Å; I762-F766 WeakPolarHBondContact O-CB 3.48Å; I762-F766 PolarHBondContact O-N 3.22Å; F763-F766 PolarHBondContact O-N 3.34Å; V764-F766 VanDerWaalsContact C-N 3.33Å; V764-F766 PolarHBondContact O-N 3.46Å; F766-A768 VanDerWaalsContact C-N 3.33Å; F766-A768 PolarHBondContact O-N 3.35Å; F766-F769 HydrophobicContact CD2-CD1 4.27Å; F766-F769 HydrophobicContact CE2-CD1 4.25Å; F766-F769 WeakPolarHBondContact O-CB 3.34Å; F766-F769 PolarHBondContact O-N 3.49Å; F766-A770 WeakPolarHBondContact O-CB 3.02Å; F766-A770 PolarHBondContact O-N 2.89Å
767	A	92	Very high	89.9	Confident	46 Å²	46	59.9 Å²	59.9	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-43.5	173.6	0	0	0	0	0	111.3	F763 V764 A770 V771	F763-A767 PolarHBondContact O-N 2.92Å; V764-A767 WeakPolarHBondContact O-CB 3.43Å; V764-A767 PolarHBondContact O-N 3.41Å; A767-A770 PolarHBondContact O-N 3.44Å; A767-V771 WeakPolarHBondContact O-CG2 3.46Å; A767-V771 PolarHBondContact O-N 3.2Å
768	A	90.9	Very high	90.3	Very high	47 Å²	47	55.9 Å²	55.9	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-43.3	174.1	0	0	0	0	0	112.2	V764 I765 F766 A770 V771 L772	V764-A768 PolarHBondContact O-N 3.46Å; V764-A768 VanDerWaalsContact O-N 3.08Å; I765-A768 PolarHBondContact O-N 3.32Å; F766-A768 VanDerWaalsContact C-N 3.33Å; F766-A768 PolarHBondContact O-N 3.35Å; A768-A770 VanDerWaalsContact C-N 3.35Å; A768-A770 PolarHBondContact O-N 3.28Å; A768-V771 PolarHBondContact O-N 2.88Å; A768-L772 WeakPolarHBondContact O-CB 3.32Å; A768-L772 VanDerWaalsContact O-CG 3.31Å; A768-L772 WeakPolarHBondContact O-CG 3.42Å; A768-L772 PolarHBondContact O-N 2.84Å
769	F	91.4	Very high	90.7	Very high	16 Å²	16	60 Å²	60	7%	0.07	36%	0.355	C	S	.	.	H	α-helix	trans	-57.7	-45.8	174	173.1	-93.2	0	0	0	111.6	L742 W743 V746 M747 I765 F766 L772 T773	L742-F769 HydrophobicContact CD2-CD2 3.1Å; L742-F769 HydrophobicContact CD2-CE2 3.15Å; L742-F769 HydrophobicContact CD2-CG 4.13Å; L742-F769 HydrophobicContact CD2-CZ 4.2Å; W743-F769 HydrophobicContact CE3-CE2 4.22Å; W743-F769 AromaticContact CE3-CZ 3.95Å; W743-F769 HydrophobicContact CE3-CZ 3.95Å; W743-F769 HydrophobicContact CZ3-CZ 4.28Å; V746-F769 HydrophobicContact CB-CD2 4.35Å; V746-F769 HydrophobicContact CG1-CB 3.96Å; V746-F769 HydrophobicContact CG1-CD2 4.38Å; M747-F769 HydrophobicContact CG-CB 4.43Å; M747-F769 HydrophobicContact CG-CD1 4.27Å; M747-F769 HydrophobicContact CG-CD2 3.4Å; M747-F769 VanDerWaalsContact CG-CD2 3.4Å; M747-F769 HydrophobicContact CG-CE1 4.44Å; M747-F769 HydrophobicContact CG-CE2 3.6Å; M747-F769 HydrophobicContact CG-CG 3.78Å; M747-F769 HydrophobicContact CG-CZ 4.15Å; M747-F769 HydrophobicContact SD-CB 3.93Å; M747-F769 HydrophobicContact SD-CD1 4.12Å; M747-F769 HydrophobicContact SD-CD2 4.01Å; M747-F769 HydrophobicContact SD-CG 3.75Å; I765-F769 WeakPolarHBondContact O-CB 3.36Å; I765-F769 PolarHBondContact O-N 3.27Å; F766-F769 HydrophobicContact CD2-CD1 4.27Å; F766-F769 HydrophobicContact CE2-CD1 4.25Å; F766-F769 WeakPolarHBondContact O-CB 3.34Å; F766-F769 PolarHBondContact O-N 3.49Å; F769-L772 PolarHBondContact O-N 3.27Å; F769-T773 VanDerWaalsContact O-CB 3.25Å; F769-T773 WeakPolarHBondContact O-CB 3.48Å; F769-T773 PolarHBondContact O-N 3.07Å; F769-T773 PolarHBondContact O-OG1 2.95Å
770	A	91.7	Very high	91.1	Very high	35 Å²	35	62.1 Å²	62.1	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-45.1	179.7	0	0	0	0	0	111.6	F766 A767 A768 T773 V774	F766-A770 WeakPolarHBondContact O-CB 3.02Å; F766-A770 PolarHBondContact O-N 2.89Å; A767-A770 PolarHBondContact O-N 3.44Å; A768-A770 VanDerWaalsContact C-N 3.35Å; A768-A770 PolarHBondContact O-N 3.28Å; A770-T773 PolarHBondContact O-N 3.23Å; A770-V774 WeakPolarHBondContact O-CG2 3.37Å; A770-V774 PolarHBondContact O-N 3.39Å
771	V	93.3	Very high	91.4	Very high	94 Å²	94	61 Å²	61	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-44.2	177.5	171.7	0	0	0	0	111.6	A767 A768 S775	A767-V771 WeakPolarHBondContact O-CG2 3.46Å; A767-V771 PolarHBondContact O-N 3.2Å; A768-V771 PolarHBondContact O-N 2.88Å; V771-S775 VanDerWaalsContact O-CB 3.31Å; V771-S775 WeakPolarHBondContact O-CB 3.13Å; V771-S775 PolarHBondContact O-N 3.46Å; V771-S775 PolarHBondContact O-OG 3.47Å
772	L	92	Very high	91.6	Very high	71 Å²	71	58.9 Å²	58.9	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-39.8	177.8	-71.5	170.4	0	0	0	111.6	L742 A768 F769 I776	L742-L772 HydrophobicContact CD1-CB 4.13Å; A768-L772 WeakPolarHBondContact O-CB 3.32Å; A768-L772 VanDerWaalsContact O-CG 3.31Å; A768-L772 WeakPolarHBondContact O-CG 3.42Å; A768-L772 PolarHBondContact O-N 2.84Å; F769-L772 PolarHBondContact O-N 3.27Å; L772-I776 HydrophobicContact CD2-CD1 3.9Å; L772-I776 WeakPolarHBondContact O-CB 3.08Å; L772-I776 PolarHBondContact O-N 2.96Å
773	T	92.6	Very high	91.8	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.025	34%	0.342	C	S	.	.	I	π-helix	trans	-64.6	-47.3	177.4	-59	0	0	0	0	111.2	H409 F465 F769 A770 L777 L778	H409-T773 VanDerWaalsContact NE2-CG2 3.27Å; H409-T773 WeakPolarHBondContact NE2-CG2 3.44Å; F465-T773 HydrophobicContact CE1-CG2 4.35Å; F769-T773 VanDerWaalsContact O-CB 3.25Å; F769-T773 WeakPolarHBondContact O-CB 3.48Å; F769-T773 PolarHBondContact O-N 3.07Å; F769-T773 PolarHBondContact O-OG1 2.95Å; A770-T773 PolarHBondContact O-N 3.23Å; T773-L777 HydrophobicContact CG2-CB 4.39Å; T773-L777 HydrophobicContact CG2-CD1 4.05Å; T773-L777 WeakPolarHBondContact O-CA 3.32Å; T773-L777 VanDerWaalsContact O-CB 3.28Å; T773-L777 WeakPolarHBondContact O-CB 3.3Å; T773-L777 PolarHBondContact O-N 3.12Å; T773-L777 VanDerWaalsContact O-N 3.13Å; T773-L778 PolarHBondContact O-N 2.99Å
774	V	92.6	Very high	92	Very high	68 Å²	68	55.4 Å²	55.4	41%	0.412	32%	0.324	S	S	.	.	I	π-helix	trans	-64.9	-46.4	177.8	173.6	0	0	0	0	111.2	A770 L778 V779	A770-V774 WeakPolarHBondContact O-CG2 3.37Å; A770-V774 PolarHBondContact O-N 3.39Å; V774-L778 VanDerWaalsContact O-CB 3.23Å; V774-L778 WeakPolarHBondContact O-CB 3.38Å; V774-L778 PolarHBondContact O-N 3.48Å; V774-V779 WeakPolarHBondContact O-CG2 3.02Å; V774-V779 PolarHBondContact O-N 2.89Å
775	S	91.9	Very high	92.2	Very high	59 Å²	59	51 Å²	51	41%	0.413	30%	0.298	S	S	.	.	I	π-helix	trans	-73.3	-47.1	-173.6	-51.3	0	0	0	0	113	V771 V779 M780	V771-S775 VanDerWaalsContact O-CB 3.31Å; V771-S775 WeakPolarHBondContact O-CB 3.13Å; V771-S775 PolarHBondContact O-N 3.46Å; V771-S775 PolarHBondContact O-OG 3.47Å; S775-V779 WeakPolarHBondContact O-CB 3.44Å; S775-M780 PolarHBondContact O-N 3.16Å
776	I	92	Very high	92.3	Very high	59 Å²	59	51 Å²	51	30%	0.303	30%	0.297	S	S	.	.	I	π-helix	trans	-88.9	-55.5	-173.3	-58.9	176.5	0	0	0	110.5	L738 L772 M780 E781	L738-I776 HydrophobicContact CD2-CG2 4.08Å; L772-I776 HydrophobicContact CD2-CD1 3.9Å; L772-I776 WeakPolarHBondContact O-CB 3.08Å; L772-I776 PolarHBondContact O-N 2.96Å; I776-M780 HydrophobicContact CG2-CE 4.44Å; I776-M780 WeakPolarHBondContact O-CB 3.35Å; I776-M780 PolarHBondContact O-N 3.26Å; I776-E781 PolarHBondContact O-N 3.01Å; I776-E781 VanDerWaalsContact O-N 3.13Å
777	L	90.9	Very high	92.4	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	30%	0.297	C	S	.	.	I	π-helix	trans	-75.9	-43.8	-174.3	-74.8	157.3	0	0	0	112.1	F404 L738 S739 L742 T773 E781	F404-L777 WeakPolarHBondContact CE2-O 3.3Å; L738-L777 HydrophobicContact CB-CD2 4.31Å; L738-L777 HydrophobicContact CD2-CD1 4.27Å; L738-L777 HydrophobicContact CD2-CD2 3.42Å; L738-L777 VanDerWaalsContact CD2-CD2 3.42Å; L738-L777 HydrophobicContact CD2-CG 3.65Å; L738-L777 HydrophobicContact CG-CD2 4.46Å; S739-L777 VanDerWaalsContact OG-CD2 3.29Å; S739-L777 WeakPolarHBondContact OG-CD2 3.44Å; L742-L777 HydrophobicContact CD1-CD1 3.74Å; T773-L777 HydrophobicContact CG2-CB 4.39Å; T773-L777 HydrophobicContact CG2-CD1 4.05Å; T773-L777 WeakPolarHBondContact O-CA 3.32Å; T773-L777 VanDerWaalsContact O-CB 3.28Å; T773-L777 WeakPolarHBondContact O-CB 3.3Å; T773-L777 PolarHBondContact O-N 3.12Å; T773-L777 VanDerWaalsContact O-N 3.13Å; L777-E781 WeakPolarHBondContact O-CB 3.41Å
778	L	91.6	Very high	92.6	Very high	32 Å²	32	50.7 Å²	50.7	17%	0.168	29%	0.291	C	S	.	.	I	π-helix	trans	-81	-50.7	-176.5	-148.7	100.2	0	0	0	112.1	H409 L412 M413 T773 V774 G782	H409-L778 HydrophobicContact CB-CD1 4.04Å; L412-L778 HydrophobicContact CB-CD1 4.12Å; M413-L778 HydrophobicContact CG-CD1 3.82Å; M413-L778 HydrophobicContact CG-CD2 4.06Å; M413-L778 HydrophobicContact CG-CG 3.89Å; T773-L778 PolarHBondContact O-N 2.99Å; V774-L778 VanDerWaalsContact O-CB 3.23Å; V774-L778 WeakPolarHBondContact O-CB 3.38Å; V774-L778 PolarHBondContact O-N 3.48Å; L778-G782 VanDerWaalsContact O-CA 3.31Å; L778-G782 WeakPolarHBondContact O-CA 3.26Å; L778-G782 PolarHBondContact O-N 3.45Å
779	V	91.3	Very high	92.8	Very high	88 Å²	88	48.4 Å²	48.4	53%	0.533	27%	0.272	S	S	.	.	I	π-helix	trans	-81.1	-57.4	-173.4	174.4	0	0	0	0	112.1	V774 S775 L783	V774-V779 WeakPolarHBondContact O-CG2 3.02Å; V774-V779 PolarHBondContact O-N 2.89Å; S775-V779 WeakPolarHBondContact O-CB 3.44Å; V779-L783 WeakPolarHBondContact O-CB 3.47Å; V779-L783 PolarHBondContact O-N 2.84Å
780	M	92.1	Very high	92.9	Very high	123 Å²	123	48.4 Å²	48.4	61%	0.606	27%	0.273	S	S	*	.	I	π-helix	trans	-71.2	-52.9	-175	-60.8	-153.4	-35.6	0	0	113	S775 I776 L783 S784	S775-M780 PolarHBondContact O-N 3.16Å; I776-M780 HydrophobicContact CG2-CE 4.44Å; I776-M780 WeakPolarHBondContact O-CB 3.35Å; I776-M780 PolarHBondContact O-N 3.26Å; M780-L783 PolarHBondContact O-N 3.33Å; M780-S784 WeakPolarHBondContact O-CB 3.3Å; M780-S784 PolarHBondContact O-N 3.04Å
781	E	93.3	Very high	93	Very high	42 Å²	42	52.5 Å²	52.5	20%	0.196	28%	0.281	C	S	.	.	I	π-helix	trans	-66.2	-38.4	178.8	-77.8	-73.3	160	0	0	111.4	F404 I776 L777 S784 A785	F404-E781 HydrophobicContact CE2-CB 4.41Å; I776-E781 PolarHBondContact O-N 3.01Å; I776-E781 VanDerWaalsContact O-N 3.13Å; L777-E781 WeakPolarHBondContact O-CB 3.41Å; E781-S784 WeakPolarHBondContact O-CB 3.49Å; E781-S784 PolarHBondContact O-N 3.4Å; E781-A785 WeakPolarHBondContact O-CB 3.37Å; E781-A785 PolarHBondContact O-N 3.38Å
782	G	92.8	Very high	93	Very high	7 Å²	7	48 Å²	48	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-43.2	173.4	0	0	0	0	0	112.8	F400 L778 F786	F400-G782 WeakPolarHBondContact CE2-O 3.38Å; L778-G782 VanDerWaalsContact O-CA 3.31Å; L778-G782 WeakPolarHBondContact O-CA 3.26Å; L778-G782 PolarHBondContact O-N 3.45Å; G782-F786 VanDerWaalsContact O-CB 3.3Å; G782-F786 WeakPolarHBondContact O-CB 3.07Å; G782-F786 PolarHBondContact O-N 3.06Å
783	L	92.9	Very high	93.1	Very high	97 Å²	97	44.8 Å²	44.8	51%	0.508	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-40	175.3	-176.3	65.3	0	0	0	112	V779 M780 F786 L787	V779-L783 WeakPolarHBondContact O-CB 3.47Å; V779-L783 PolarHBondContact O-N 2.84Å; M780-L783 PolarHBondContact O-N 3.33Å; L783-F786 HydrophobicContact CD1-CD1 4.36Å; L783-F786 WeakPolarHBondContact O-CB 3.4Å; L783-F786 PolarHBondContact O-N 3.14Å; L783-L787 HydrophobicContact CG-CD1 4.45Å; L783-L787 WeakPolarHBondContact O-CG 3.14Å; L783-L787 PolarHBondContact O-N 2.85Å
784	S	93.4	Very high	93.1	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-51.5	175.3	-179.5	0	0	0	0	111.3	M780 E781 F786 L787 H788	M780-S784 WeakPolarHBondContact O-CB 3.3Å; M780-S784 PolarHBondContact O-N 3.04Å; E781-S784 WeakPolarHBondContact O-CB 3.49Å; E781-S784 PolarHBondContact O-N 3.4Å; S784-F786 VanDerWaalsContact C-N 3.3Å; S784-F786 PolarHBondContact O-N 3.39Å; S784-L787 PolarHBondContact O-N 3.45Å; S784-H788 PolarHBondContact O-CD2 3.31Å; S784-H788 PolarHBondContact O-N 3.37Å
785	A	94.7	Very high	93	Very high	2 Å²	2	47 Å²	47	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-37.6	176.8	0	0	0	0	0	112.2	F400 M403 F404 L731 E781 H788 A789	F400-A785 HydrophobicContact CD2-CB 3.85Å; F400-A785 HydrophobicContact CE2-CB 3.65Å; M403-A785 HydrophobicContact CB-CB 3.95Å; M403-A785 HydrophobicContact SD-CB 4.38Å; F404-A785 HydrophobicContact CB-CB 4.34Å; L731-A785 HydrophobicContact CD2-CB 4.3Å; E781-A785 WeakPolarHBondContact O-CB 3.37Å; E781-A785 PolarHBondContact O-N 3.38Å; A785-H788 PolarHBondContact O-N 3.34Å; A785-A789 WeakPolarHBondContact O-CB 3.48Å; A785-A789 PolarHBondContact O-N 3.34Å
786	F	94.5	Very high	93	Very high	30 Å²	30	44.3 Å²	44.3	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-49.9	174.1	170.8	-90.2	0	0	0	111.8	I374 F396 F400 L446 M450 G782 L783 S784 H788 A789 L790	I374-F786 HydrophobicContact CD1-CZ 4.3Å; F396-F786 AromaticContact CE1-CD2 3.71Å; F396-F786 HydrophobicContact CE1-CD2 3.71Å; F396-F786 AromaticContact CE1-CE2 3.59Å; F396-F786 HydrophobicContact CE1-CE2 3.59Å; F396-F786 HydrophobicContact CE2-CE2 4.45Å; F396-F786 AromaticContact CZ-CD2 3.38Å; F396-F786 HydrophobicContact CZ-CD2 3.38Å; F396-F786 AromaticContact CZ-CE2 3.29Å; F396-F786 HydrophobicContact CZ-CE2 3.29Å; F396-F786 HydrophobicContact CZ-CG 4.18Å; F396-F786 HydrophobicContact CZ-CZ 4.04Å; F400-F786 HydrophobicContact CD2-CB 4.39Å; F400-F786 HydrophobicContact CE2-CB 4.4Å; L446-F786 HydrophobicContact CD1-CE2 4.34Å; L446-F786 HydrophobicContact CD2-CD2 4.27Å; L446-F786 HydrophobicContact CD2-CE2 3.75Å; M450-F786 HydrophobicContact CE-CB 4.17Å; M450-F786 HydrophobicContact CE-CD2 3.79Å; M450-F786 HydrophobicContact CE-CG 4.47Å; M450-F786 HydrophobicContact SD-CD2 4.04Å; G782-F786 VanDerWaalsContact O-CB 3.3Å; G782-F786 WeakPolarHBondContact O-CB 3.07Å; G782-F786 PolarHBondContact O-N 3.06Å; L783-F786 HydrophobicContact CD1-CD1 4.36Å; L783-F786 WeakPolarHBondContact O-CB 3.4Å; L783-F786 PolarHBondContact O-N 3.14Å; S784-F786 VanDerWaalsContact C-N 3.3Å; S784-F786 PolarHBondContact O-N 3.39Å; F786-H788 PolarHBondContact O-N 3.24Å; F786-A789 PolarHBondContact O-N 3.04Å; F786-L790 HydrophobicContact CE1-CD1 4.5Å; F786-L790 HydrophobicContact CZ-CD1 4.35Å; F786-L790 WeakPolarHBondContact O-CB 3.42Å; F786-L790 PolarHBondContact O-N 3.21Å
787	L	93.7	Very high	93	Very high	91 Å²	91	41.5 Å²	41.5	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-67	-35.2	179.8	-69.3	175.5	0	0	0	112.5	L783 S784 L790 R791	L783-L787 HydrophobicContact CG-CD1 4.45Å; L783-L787 WeakPolarHBondContact O-CG 3.14Å; L783-L787 PolarHBondContact O-N 2.85Å; S784-L787 PolarHBondContact O-N 3.45Å; L787-L790 HydrophobicContact CD2-CD2 4.45Å; L787-L790 WeakPolarHBondContact O-CB 3.49Å; L787-L790 PolarHBondContact O-N 3.46Å; L787-R791 WeakPolarHBondContact O-CB 3.46Å; L787-R791 PolarHBondContact O-N 3.4Å
788	H	94.9	Very high	92.9	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.25	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-38.3	175.1	-79.7	-64.1	0	0	0	112.6	M403 L731 S784 A785 F786 L790 R791 L792	M403-H788 HydrophobicContact CE-CB 3.9Å; M403-H788 HydrophobicContact SD-CB 3.81Å; L731-H788 HydrophobicContact CD2-CB 4.26Å; S784-H788 PolarHBondContact O-CD2 3.31Å; S784-H788 PolarHBondContact O-N 3.37Å; A785-H788 PolarHBondContact O-N 3.34Å; F786-H788 PolarHBondContact O-N 3.24Å; H788-L790 VanDerWaalsContact C-N 3.32Å; H788-R791 PolarHBondContact O-N 3.11Å; H788-L792 WeakPolarHBondContact O-CG 3.39Å; H788-L792 PolarHBondContact O-N 3.39Å; H788-L792 VanDerWaalsContact O-N 3.16Å
789	A	94.7	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-39.4	171.9	0	0	0	0	0	111.6	F396 L399 F400 A785 F786 L792 H793	F396-A789 HydrophobicContact CD2-CB 4.37Å; F396-A789 HydrophobicContact CE2-CB 4.04Å; F396-A789 HydrophobicContact CZ-CB 4.44Å; L399-A789 HydrophobicContact CB-CB 4.48Å; F400-A789 HydrophobicContact CB-CB 4.23Å; A785-A789 WeakPolarHBondContact O-CB 3.48Å; A785-A789 PolarHBondContact O-N 3.34Å; F786-A789 PolarHBondContact O-N 3.04Å; A789-L792 PolarHBondContact O-N 3.06Å; A789-H793 PolarHBondContact O-N 3.49Å; A789-H793 PolarHBondContact O-ND1 3.37Å
790	L	93.5	Very high	92.3	Very high	15 Å²	15	40 Å²	40	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.9	-170.8	103.5	0	0	0	111.6	I374 F396 F786 L787 H788 L792 H793 W794	I374-L790 HydrophobicContact CG2-CD1 3.46Å; I374-L790 VanDerWaalsContact CG2-CD1 3.46Å; F396-L790 HydrophobicContact CE2-CB 3.87Å; F396-L790 HydrophobicContact CE2-CD1 4.1Å; F786-L790 HydrophobicContact CE1-CD1 4.5Å; F786-L790 HydrophobicContact CZ-CD1 4.35Å; F786-L790 WeakPolarHBondContact O-CB 3.42Å; F786-L790 PolarHBondContact O-N 3.21Å; L787-L790 HydrophobicContact CD2-CD2 4.45Å; L787-L790 WeakPolarHBondContact O-CB 3.49Å; L787-L790 PolarHBondContact O-N 3.46Å; H788-L790 VanDerWaalsContact C-N 3.32Å; L790-L792 VanDerWaalsContact C-N 3.32Å; L790-L792 PolarHBondContact O-N 3.35Å; L790-H793 WeakPolarHBondContact O-CB 3.21Å; L790-H793 PolarHBondContact O-N 3.37Å; L790-W794 HydrophobicContact CD1-CZ2 3.97Å; L790-W794 HydrophobicContact CD2-CD2 3.97Å; L790-W794 HydrophobicContact CD2-CE3 3.74Å; L790-W794 HydrophobicContact CD2-CH2 3.35Å; L790-W794 HydrophobicContact CD2-CZ2 3.55Å; L790-W794 HydrophobicContact CD2-CZ3 3.42Å; L790-W794 VanDerWaalsContact CD2-CZ3 3.42Å; L790-W794 HydrophobicContact CG-CD2 4Å; L790-W794 HydrophobicContact CG-CE3 4.26Å; L790-W794 HydrophobicContact CG-CH2 4.16Å; L790-W794 HydrophobicContact CG-CZ2 3.84Å; L790-W794 HydrophobicContact CG-CZ3 4.34Å; L790-W794 PolarHBondContact O-N 3.46Å
791	R	94.4	Very high	92	Very high	122 Å²	122	34.9 Å²	34.9	46%	0.46	17%	0.172	S	C	.	.	H	α-helix	trans	-56.6	-45.9	176.3	-177.8	173.5	179.6	161.4	2.2	111.9	L787 H788 H793 W794 V795	L787-R791 WeakPolarHBondContact O-CB 3.46Å; L787-R791 PolarHBondContact O-N 3.4Å; H788-R791 PolarHBondContact O-N 3.11Å; R791-H793 PolarHBondContact O-N 2.97Å; R791-W794 PolarHBondContact O-N 3.28Å; R791-V795 HydrophobicContact CG-CG2 4.38Å; R791-V795 PolarHBondContact O-N 3.35Å
792	L	94.1	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-57.7	-29.7	176.5	-69.3	175.4	0	0	0	113.1	L399 M403 Y725 L728 H788 A789 L790 E796 F797	L399-L792 HydrophobicContact CD1-CB 4.3Å; L399-L792 HydrophobicContact CD1-CD1 4.33Å; M403-L792 HydrophobicContact CE-CD1 3.58Å; Y725-L792 HydrophobicContact CD1-CD1 4.03Å; Y725-L792 HydrophobicContact CD1-CD2 3.91Å; Y725-L792 HydrophobicContact CE1-CB 4.39Å; Y725-L792 HydrophobicContact CE1-CD1 4.07Å; Y725-L792 HydrophobicContact CE1-CD2 3.89Å; Y725-L792 HydrophobicContact CE1-CG 4.34Å; Y725-L792 HydrophobicContact CE2-CD2 4.46Å; Y725-L792 HydrophobicContact CG-CD2 4.24Å; L728-L792 HydrophobicContact CD2-CD1 3.95Å; L728-L792 HydrophobicContact CG-CD1 4.04Å; H788-L792 WeakPolarHBondContact O-CG 3.39Å; H788-L792 PolarHBondContact O-N 3.39Å; H788-L792 VanDerWaalsContact O-N 3.16Å; A789-L792 PolarHBondContact O-N 3.06Å; L790-L792 VanDerWaalsContact C-N 3.32Å; L790-L792 PolarHBondContact O-N 3.35Å; L792-E796 WeakPolarHBondContact CA-OE2 3.5Å; L792-E796 HydrophobicContact CD2-CG 4.29Å; L792-E796 WeakPolarHBondContact O-CB 3.45Å; L792-E796 PolarHBondContact O-N 2.93Å; L792-F797 PolarHBondContact O-N 3.41Å
793	H	93.3	Very high	91.1	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.014	19%	0.187	C	C	.	.	I	π-helix	trans	-81	-43.9	176	-72.7	74.3	0	0	0	112.1	T395 F396 H545 A789 L790 R791 F797 Q798	T395-H793 PolarHBondContact OG1-NE2 3.05Å; F396-H793 WeakPolarHBondContact CA-CE1 3.47Å; F396-H793 AromaticContact CD2-ND1 3.81Å; F396-H793 PolarHBondContact N-NE2 3.13Å; H545-H793 AromaticContact NE2-NE2 3.95Å; A789-H793 PolarHBondContact O-N 3.49Å; A789-H793 PolarHBondContact O-ND1 3.37Å; L790-H793 WeakPolarHBondContact O-CB 3.21Å; L790-H793 PolarHBondContact O-N 3.37Å; R791-H793 PolarHBondContact O-N 2.97Å; H793-F797 WeakPolarHBondContact O-CB 3.39Å; H793-Q798 WeakPolarHBondContact O-CB 3.14Å; H793-Q798 VanDerWaalsContact O-CG 3.28Å; H793-Q798 WeakPolarHBondContact O-CG 3.33Å; H793-Q798 PolarHBondContact O-N 3.44Å
794	W	92.4	Very high	90.5	Very high	64 Å²	64	33 Å²	33	24%	0.242	17%	0.172	C	C	.	.	I	π-helix	trans	-70.9	-45.9	-177.1	-68.6	-13	0	0	0	113.2	I374 A377 Y378 L790 R791	I374-W794 WeakPolarHBondContact O-CZ2 3.25Å; I374-W794 PolarHBondContact O-NE1 3.44Å; A377-W794 HydrophobicContact CB-CH2 4.5Å; A377-W794 HydrophobicContact CB-CZ2 4.14Å; Y378-W794 HydrophobicContact CD2-CB 3.7Å; Y378-W794 AromaticContact CD2-CD2 3.95Å; Y378-W794 HydrophobicContact CD2-CD2 3.95Å; Y378-W794 HydrophobicContact CD2-CE3 4.19Å; Y378-W794 AromaticContact CD2-CG 3.77Å; Y378-W794 HydrophobicContact CD2-CG 3.77Å; Y378-W794 HydrophobicContact CE2-CB 3.96Å; Y378-W794 HydrophobicContact CG-CB 4.11Å; Y378-W794 HydrophobicContact CG-CD2 4.26Å; Y378-W794 AromaticContact CG-CG 3.91Å; Y378-W794 HydrophobicContact CG-CG 3.91Å; L790-W794 HydrophobicContact CD1-CZ2 3.97Å; L790-W794 HydrophobicContact CD2-CD2 3.97Å; L790-W794 HydrophobicContact CD2-CE3 3.74Å; L790-W794 HydrophobicContact CD2-CH2 3.35Å; L790-W794 HydrophobicContact CD2-CZ2 3.55Å; L790-W794 HydrophobicContact CD2-CZ3 3.42Å; L790-W794 VanDerWaalsContact CD2-CZ3 3.42Å; L790-W794 HydrophobicContact CG-CD2 4Å; L790-W794 HydrophobicContact CG-CE3 4.26Å; L790-W794 HydrophobicContact CG-CH2 4.16Å; L790-W794 HydrophobicContact CG-CZ2 3.84Å; L790-W794 HydrophobicContact CG-CZ3 4.34Å; L790-W794 PolarHBondContact O-N 3.46Å; R791-W794 PolarHBondContact O-N 3.28Å
795	V	91	Very high	90.2	Very high	55 Å²	55	36.5 Å²	36.5	33%	0.333	19%	0.191	S	C	.	.	I	π-helix	trans	-92.9	-46.3	-172.8	-179.6	0	0	0	0	111.5	R791 N799	R791-V795 HydrophobicContact CG-CG2 4.38Å; R791-V795 PolarHBondContact O-N 3.35Å; V795-N799 WeakPolarHBondContact O-CB 3.45Å
796	E	91.5	Very high	89.8	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	20%	0.202	C	C	.	.	I	π-helix	trans	-89	-30.4	-171.9	-66	83	165.8	0	0	113.7	N721 S724 Y725 R727 L792	N721-E796 HydrophobicContact CB-CB 4.4Å; N721-E796 HydrophobicContact CB-CG 3.75Å; S724-E796 WeakPolarHBondContact CB-OE1 3.33Å; S724-E796 PolarHBondContact OG-OE1 3.43Å; Y725-E796 HydrophobicContact CE2-CB 3.86Å; Y725-E796 HydrophobicContact CE2-CG 4.07Å; R727-E796 IonicContact NH1-OE1 3.3Å; L792-E796 WeakPolarHBondContact CA-OE2 3.5Å; L792-E796 HydrophobicContact CD2-CG 4.29Å; L792-E796 WeakPolarHBondContact O-CB 3.45Å; L792-E796 PolarHBondContact O-N 2.93Å
797	F	91.2	Very high	89.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-96.3	-54.6	-179.2	-178.1	-109.9	0	0	0	113.1	H545 F548 L552 L792 H793 N799 K800 F801	H545-F797 AromaticContact CD2-CD2 3.83Å; H545-F797 AromaticContact CE1-CD2 3.8Å; H545-F797 AromaticContact CE1-CG 3.77Å; H545-F797 AromaticContact NE2-CD2 3.46Å; H545-F797 WeakPolarHBondContact NE2-CD2 3.27Å; H545-F797 AromaticContact NE2-CE2 3.94Å; H545-F797 AromaticContact NE2-CG 3.69Å; F548-F797 AromaticContact CD1-CE2 3.65Å; F548-F797 HydrophobicContact CD1-CE2 3.65Å; F548-F797 HydrophobicContact CD1-CZ 4.01Å; F548-F797 HydrophobicContact CE1-CE2 4.13Å; F548-F797 AromaticContact CE1-CZ 4Å; F548-F797 HydrophobicContact CE1-CZ 4Å; L552-F797 HydrophobicContact CD1-CE1 4.46Å; L552-F797 HydrophobicContact CD1-CE2 4.28Å; L552-F797 HydrophobicContact CD1-CZ 3.64Å; L792-F797 PolarHBondContact O-N 3.41Å; H793-F797 WeakPolarHBondContact O-CB 3.39Å; F797-N799 PolarHBondContact O-N 3.24Å; F797-K800 PolarHBondContact O-N 3.11Å; F797-F801 AromaticContact CD1-CE1 3.86Å; F797-F801 HydrophobicContact CD1-CE1 3.86Å; F797-F801 HydrophobicContact CD1-CZ 4.16Å; F797-F801 HydrophobicContact CD2-CE1 4.42Å; F797-F801 AromaticContact CE1-CE1 3.58Å; F797-F801 HydrophobicContact CE1-CE1 3.58Å; F797-F801 AromaticContact CE1-CZ 3.62Å; F797-F801 HydrophobicContact CE1-CZ 3.62Å; F797-F801 HydrophobicContact CE2-CE1 4.15Å; F797-F801 HydrophobicContact CG-CE1 4.28Å; F797-F801 AromaticContact CZ-CE1 3.74Å; F797-F801 HydrophobicContact CZ-CE1 3.74Å; F797-F801 HydrophobicContact CZ-CZ 4.02Å; F797-F801 WeakPolarHBondContact O-CE1 3.42Å
798	Q	89.3	Confident	89.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.5	-36.8	-174.8	-75.7	171.7	0.4	0	0	112.7	P388 H793 K800 F801 Y802	P388-Q798 HydrophobicContact CB-CG 4.25Å; P388-Q798 HydrophobicContact CG-CG 4.21Å; H793-Q798 WeakPolarHBondContact O-CB 3.14Å; H793-Q798 VanDerWaalsContact O-CG 3.28Å; H793-Q798 WeakPolarHBondContact O-CG 3.33Å; H793-Q798 PolarHBondContact O-N 3.44Å; Q798-K800 PolarHBondContact O-N 3.08Å; Q798-F801 PolarHBondContact O-N 3.42Å; Q798-F801 VanDerWaalsContact O-N 3.13Å; Q798-Y802 HydrophobicContact CB-CD1 4.21Å; Q798-Y802 HydrophobicContact CB-CG 4.38Å; Q798-Y802 HydrophobicContact CG-CD1 4.42Å; Q798-Y802 HydrophobicContact CG-CG 4.5Å; Q798-Y802 WeakPolarHBondContact O-CA 2.95Å; Q798-Y802 WeakPolarHBondContact O-CB 2.97Å; Q798-Y802 PolarHBondContact O-N 3.46Å
799	N	86.3	Confident	88.9	Confident	72 Å²	72	38 Å²	38	39%	0.385	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-58	-11.3	179.6	-163.2	18.3	0	0	0	114.5	V795 F797	V795-N799 WeakPolarHBondContact O-CB 3.45Å; F797-N799 PolarHBondContact O-N 3.24Å
800	K	85.1	Confident	88.5	Confident	18 Å²	18	41.6 Å²	41.6	8%	0.078	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-89.9	-21.9	-179.6	-59.7	-52.8	-170.9	-177.8	0	114.9	V550 Y714 C718 F797 Q798	V550-K800 HydrophobicContact CG2-CB 4.05Å; V550-K800 HydrophobicContact CG2-CD 4.13Å; V550-K800 HydrophobicContact CG2-CG 3.97Å; Y714-K800 HydrophobicContact CD2-CD 4.31Å; Y714-K800 HydrophobicContact CE2-CD 3.88Å; C718-K800 PolarHBondContact SG-NZ 3.37Å; C718-K800 VanDerWaalsContact SG-NZ 3.37Å; F797-K800 PolarHBondContact O-N 3.11Å; Q798-K800 PolarHBondContact O-N 3.08Å
801	F	85.8	Confident	88.2	Confident	15 Å²	15	43.2 Å²	43.2	7%	0.066	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-15	-175.5	69.3	-87.8	0	0	0	114.4	E385 P388 G549 L552 N556 F797 Q798	E385-F801 VanDerWaalsContact OE1-O 3.08Å; P388-F801 HydrophobicContact CB-CE2 4.3Å; P388-F801 HydrophobicContact CB-CZ 3.96Å; P388-F801 HydrophobicContact CG-CE2 3.82Å; P388-F801 HydrophobicContact CG-CZ 3.91Å; G549-F801 WeakPolarHBondContact O-CD1 3.45Å; L552-F801 HydrophobicContact CB-CB 4.28Å; L552-F801 HydrophobicContact CB-CD1 4.05Å; L552-F801 HydrophobicContact CB-CD2 4.14Å; L552-F801 HydrophobicContact CB-CE1 4.43Å; L552-F801 HydrophobicContact CB-CG 3.89Å; L552-F801 HydrophobicContact CD1-CD1 4.26Å; L552-F801 HydrophobicContact CD1-CE1 3.81Å; L552-F801 HydrophobicContact CD1-CE2 4.16Å; L552-F801 HydrophobicContact CD1-CZ 3.75Å; N556-F801 PolarHBondContact ND2-O 3.25Å; F797-F801 AromaticContact CD1-CE1 3.86Å; F797-F801 HydrophobicContact CD1-CE1 3.86Å; F797-F801 HydrophobicContact CD1-CZ 4.16Å; F797-F801 HydrophobicContact CD2-CE1 4.42Å; F797-F801 AromaticContact CE1-CE1 3.58Å; F797-F801 HydrophobicContact CE1-CE1 3.58Å; F797-F801 AromaticContact CE1-CZ 3.62Å; F797-F801 HydrophobicContact CE1-CZ 3.62Å; F797-F801 HydrophobicContact CE2-CE1 4.15Å; F797-F801 HydrophobicContact CG-CE1 4.28Å; F797-F801 AromaticContact CZ-CE1 3.74Å; F797-F801 HydrophobicContact CZ-CE1 3.74Å; F797-F801 HydrophobicContact CZ-CZ 4.02Å; F797-F801 WeakPolarHBondContact O-CE1 3.42Å; Q798-F801 PolarHBondContact O-N 3.42Å; Q798-F801 VanDerWaalsContact O-N 3.13Å
802	Y	86.2	Confident	87.9	Confident	15 Å²	15	38.8 Å²	38.8	6%	0.059	22%	0.219	C	C	.	.			trans	-103	114.7	-172.3	-172.8	-110.1	0	0	0	110.9	Y378 G379 V380 A381 E385 P388 Q798	Y378-Y802 HydrophobicContact CD1-CD1 4.26Å; Y378-Y802 HydrophobicContact CD1-CE1 4.2Å; Y378-Y802 HydrophobicContact CE1-CD1 4.46Å; G379-Y802 PolarHBondContact O-OH 3.32Å; V380-Y802 VanDerWaalsContact C-OH 3.23Å; A381-Y802 VanDerWaalsContact CA-OH 3.3Å; A381-Y802 WeakPolarHBondContact CA-OH 3.48Å; A381-Y802 HydrophobicContact CB-CE2 3.6Å; A381-Y802 PolarHBondContact N-OH 3.26Å; E385-Y802 VanDerWaalsContact OE1-CA 3.27Å; E385-Y802 WeakPolarHBondContact OE1-CA 3.31Å; P388-Y802 HydrophobicContact CG-CD2 3.51Å; P388-Y802 HydrophobicContact CG-CE2 3.79Å; P388-Y802 HydrophobicContact CG-CG 4Å; Q798-Y802 HydrophobicContact CB-CD1 4.21Å; Q798-Y802 HydrophobicContact CB-CG 4.38Å; Q798-Y802 HydrophobicContact CG-CD1 4.42Å; Q798-Y802 HydrophobicContact CG-CG 4.5Å; Q798-Y802 WeakPolarHBondContact O-CA 2.95Å; Q798-Y802 WeakPolarHBondContact O-CB 2.97Å; Q798-Y802 PolarHBondContact O-N 3.46Å
803	S	79.9	Confident	87.6	Confident	73 Å²	73	39.8 Å²	39.8	51%	0.51	23%	0.226	S	C	.	.			trans	-82.4	-32.1	178.3	41.8	0	0	0	0	114.1	S382 E385 T805	S382-S803 PolarHBondContact OG-OG 3.38Å; S382-S803 VanDerWaalsContact OG-OG 3.04Å; E385-S803 PolarHBondContact OE1-N 3.28Å; E385-S803 PolarHBondContact OE1-OG 3.42Å; E385-S803 PolarHBondContact OE2-OG 2.9Å; S803-T805 VanDerWaalsContact C-N 3.28Å; S803-T805 PolarHBondContact O-N 3.25Å
804	G	80.7	Confident	87.2	Confident	19 Å²	19	39.7 Å²	39.7	20%	0.196	23%	0.226	C	C	.	.			trans	65.9	18.5	172.8	0	0	0	0	0	116.5	V380	V380-G804 CarbonylContact O-C 3.55Å; V380-G804 VanDerWaalsContact O-CA 3.24Å; V380-G804 WeakPolarHBondContact O-CA 3.39Å
805	T	86.5	Confident	86.3	Confident	115 Å²	115	40.9 Å²	40.9	71%	0.706	24%	0.237	S	C	*	.	B	Isolated β-bridge	trans	-94.1	5.5	-176.4	57.9	0	0	0	0	114.4	V380 S382 S803	V380-T805 PolarHBondContact O-N 3.02Å; S382-T805 PolarHBondContact OG-OG1 2.72Å; S803-T805 VanDerWaalsContact C-N 3.28Å; S803-T805 PolarHBondContact O-N 3.25Å
806	G	86.1	Confident	85.1	Confident	24 Å²	24	41.3 Å²	41.3	25%	0.247	24%	0.242	C	C	.	.			trans	-77.2	177.4	-177	0	0	0	0	0	114	V380 A381	V380-G806 PolarHBondContact O-N 3.06Å; A381-G806 WeakPolarHBondContact O-CA 3.41Å
807	Y	88.7	Confident	84.1	Confident	86 Å²	86	45 Å²	45	34%	0.337	26%	0.261	S	S	.	.			trans	-125.8	140	170.1	69.4	-76.9	0	0	0	110.1	W321 P357 P359 T360	W321-Y807 PolarHBondContact NE1-OH 3.38Å; P357-Y807 WeakPolarHBondContact O-CE1 3.37Å; P357-Y807 PolarHBondContact O-OH 2.71Å; P359-Y807 VanDerWaalsContact CA-CZ 3.44Å; P359-Y807 WeakPolarHBondContact CA-O 3.3Å; P359-Y807 HydrophobicContact CB-CD2 3.71Å; P359-Y807 HydrophobicContact CB-CE1 4.39Å; P359-Y807 HydrophobicContact CB-CE2 3.28Å; P359-Y807 HydrophobicContact CB-CG 4.45Å; P359-Y807 WeakPolarHBondContact CD-OH 3.25Å; P359-Y807 HydrophobicContact CG-CE2 3.89Å; P359-Y807 VanDerWaalsContact N-OH 3.11Å; T360-Y807 PolarHBondContact N-O 3.27Å; T360-Y807 PolarHBondContact OG1-O 3.18Å
808	K	87.8	Confident	82.9	Confident	92 Å²	92	46.2 Å²	46.2	40%	0.4	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-80.8	133.2	-174.6	-178.4	171.2	-177.5	161.3	0	109.6	D376 V380 S810	D376-K808 IonicContact OD2-NZ 3.71Å; D376-K808 PolarHBondContact OD2-NZ 3.43Å; V380-K808 HydrophobicContact CG1-CB 4Å; V380-K808 HydrophobicContact CG2-CB 4.08Å; K808-S810 PolarHBondContact O-N 3.3Å; K808-S810 VanDerWaalsContact O-N 3.17Å
809	L	88.1	Confident	81.5	Confident	8 Å²	8	52 Å²	52	4%	0.042	29%	0.294	C	S	.	.			trans	-62.5	117.5	172.1	-173.9	80	0	0	0	108.8	E36 W321 P323 P359 T360 L361 P811	E36-L809 HydrophobicContact CB-CD1 3.76Å; E36-L809 WeakPolarHBondContact OE2-CA 3.25Å; E36-L809 VanDerWaalsContact OE2-CD1 3.3Å; E36-L809 WeakPolarHBondContact OE2-CD1 3.41Å; W321-L809 HydrophobicContact CB-CD1 3.75Å; P323-L809 HydrophobicContact CG-CD2 4.49Å; P359-L809 HydrophobicContact CB-CB 3.86Å; P359-L809 HydrophobicContact CB-CD1 3.9Å; P359-L809 HydrophobicContact CB-CG 4.5Å; P359-L809 HydrophobicContact CG-CB 4.22Å; P359-L809 HydrophobicContact CG-CD1 3.33Å; P359-L809 HydrophobicContact CG-CG 4.35Å; T360-L809 PolarHBondContact O-N 3.06Å; L361-L809 HydrophobicContact CB-CB 4.16Å; L361-L809 HydrophobicContact CB-CD2 4.02Å; L361-L809 HydrophobicContact CD1-CD2 4.09Å; L361-L809 HydrophobicContact CD2-CD2 3.83Å; L361-L809 HydrophobicContact CG-CD2 4.19Å; L809-P811 VanDerWaalsContact O-CD 3.24Å; L809-P811 WeakPolarHBondContact O-CD 3.37Å
810	S	86.8	Confident	80	Confident	75 Å²	75	51.3 Å²	51.3	52%	0.524	30%	0.299	S	S	.	.			trans	-107.3	88.1	175.9	74.8	0	0	0	0	109.8	E36 K808	E36-S810 WeakPolarHBondContact CG-O 3.49Å; E36-S810 PolarHBondContact OE1-OG 3.38Å; E36-S810 PolarHBondContact OE2-N 3.36Å; K808-S810 PolarHBondContact O-N 3.3Å; K808-S810 VanDerWaalsContact O-N 3.17Å
811	P	87.4	Confident	77.9	Confident	49 Å²	49	52.2 Å²	52.2	32%	0.318	31%	0.307	S	S	.	.			trans	-70	140.8	-173.8	28.8	-34.9	0	0	0	111.2	G33 L809 S813	G33-P811 VanDerWaalsContact O-CB 3.24Å; G33-P811 WeakPolarHBondContact O-CB 3.47Å; L809-P811 VanDerWaalsContact O-CD 3.24Å; L809-P811 WeakPolarHBondContact O-CD 3.37Å; P811-S813 PolarHBondContact O-N 3.07Å; P811-S813 VanDerWaalsContact O-N 3.09Å
812	F	88.3	Confident	75.5	Confident	28 Å²	28	54.4 Å²	54.4	12%	0.123	33%	0.328	C	S	.	.			trans	-68.7	102.8	172.8	176.2	-109.7	0	0	0	110.1	V26 G30 G33 V35 F37 A299 V303 F814 L817	V26-F812 HydrophobicContact CG1-CE1 4.08Å; G30-F812 VanDerWaalsContact CA-CE1 3.45Å; G33-F812 VanDerWaalsContact CA-O 3.31Å; G33-F812 WeakPolarHBondContact CA-O 3.39Å; V35-F812 WeakPolarHBondContact O-CB 3.44Å; V35-F812 PolarHBondContact O-N 2.92Å; F37-F812 HydrophobicContact CD2-CB 4.15Å; F37-F812 HydrophobicContact CD2-CG 4.44Å; F37-F812 HydrophobicContact CE2-CB 4.18Å; F37-F812 HydrophobicContact CE2-CD1 4.03Å; F37-F812 HydrophobicContact CE2-CG 4.27Å; A299-F812 HydrophobicContact CB-CE2 3.93Å; A299-F812 HydrophobicContact CB-CZ 4.12Å; V303-F812 HydrophobicContact CG2-CD1 4.19Å; V303-F812 HydrophobicContact CG2-CD2 3.54Å; V303-F812 HydrophobicContact CG2-CE1 4.04Å; V303-F812 HydrophobicContact CG2-CE2 3.37Å; V303-F812 HydrophobicContact CG2-CG 3.95Å; V303-F812 HydrophobicContact CG2-CZ 3.64Å; F812-F814 HydrophobicContact CE1-CE1 4.43Å; F812-F814 HydrophobicContact CE1-CZ 4.48Å; F812-F814 AromaticContact CZ-CE1 3.99Å; F812-F814 HydrophobicContact CZ-CE1 3.99Å; F812-F814 HydrophobicContact CZ-CZ 4.43Å; F812-L817 HydrophobicContact CD2-CD1 4.48Å; F812-L817 HydrophobicContact CE2-CD1 4.06Å
813	S	87.4	Confident	72.8	Confident	21 Å²	21	56.6 Å²	56.6	15%	0.147	35%	0.35	C	S	.	.			trans	-132.3	140.4	179	-179.6	0	0	0	0	111.5	G30 P811 N815 S816 L817	G30-S813 WeakPolarHBondContact O-CA 3.35Å; P811-S813 PolarHBondContact O-N 3.07Å; P811-S813 VanDerWaalsContact O-N 3.09Å; S813-N815 VanDerWaalsContact C-N 3.35Å; S813-N815 PolarHBondContact OG-N 2.95Å; S813-S816 PolarHBondContact O-OG 3Å; S813-L817 WeakPolarHBondContact O-CD1 3.49Å; S813-L817 WeakPolarHBondContact O-CG 3.42Å
814	F	83.9	Confident	70.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.009	38%	0.377	C	S	.	.	H	α-helix	trans	-69.2	-31.6	174.6	-64.1	-52.4	0	0	0	113.5	S27 G30 E31 K296 A299 I300 F812 S816 L817 I818	S27-F814 WeakPolarHBondContact O-CE2 3.45Å; G30-F814 WeakPolarHBondContact O-CD2 3.49Å; G30-F814 PolarHBondContact O-N 2.75Å; E31-F814 HydrophobicContact CG-CD2 3.97Å; E31-F814 HydrophobicContact CG-CE2 3.99Å; E31-F814 WeakPolarHBondContact OE1-CD2 3.48Å; K296-F814 HydrophobicContact CB-CD1 4.01Å; K296-F814 HydrophobicContact CB-CE1 3.87Å; K296-F814 HydrophobicContact CB-CZ 4.32Å; K296-F814 HydrophobicContact CD-CB 4.4Å; K296-F814 HydrophobicContact CD-CD1 4.26Å; K296-F814 HydrophobicContact CD-CD2 4.07Å; K296-F814 HydrophobicContact CD-CE2 4.39Å; K296-F814 HydrophobicContact CD-CG 4Å; K296-F814 HydrophobicContact CG-CB 4.24Å; K296-F814 HydrophobicContact CG-CD1 3.62Å; K296-F814 HydrophobicContact CG-CD2 4.33Å; K296-F814 HydrophobicContact CG-CE1 3.99Å; K296-F814 HydrophobicContact CG-CG 3.82Å; K296-F814 HydrophobicContact CG-CZ 4.49Å; A299-F814 HydrophobicContact CB-CE1 4.22Å; I300-F814 HydrophobicContact CD1-CE1 4.39Å; I300-F814 HydrophobicContact CD1-CZ 3.84Å; I300-F814 HydrophobicContact CG1-CE1 4.02Å; I300-F814 HydrophobicContact CG1-CZ 3.7Å; F812-F814 HydrophobicContact CE1-CE1 4.43Å; F812-F814 HydrophobicContact CE1-CZ 4.48Å; F812-F814 AromaticContact CZ-CE1 3.99Å; F812-F814 HydrophobicContact CZ-CE1 3.99Å; F812-F814 HydrophobicContact CZ-CZ 4.43Å; F814-S816 PolarHBondContact O-N 3.16Å; F814-L817 PolarHBondContact O-N 3.04Å; F814-I818 HydrophobicContact CB-CD1 4.4Å; F814-I818 WeakPolarHBondContact O-CD1 3.25Å; F814-I818 WeakPolarHBondContact O-CG1 3.48Å; F814-I818 PolarHBondContact O-N 3.21Å
815	N	74.2	Confident	69.8	Low	89 Å²	89	63.8 Å²	63.8	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-65.2	-40.5	-178.7	-77.7	-23.2	0	0	0	111.8	S813 H819	S813-N815 VanDerWaalsContact C-N 3.35Å; S813-N815 PolarHBondContact OG-N 2.95Å; N815-H819 WeakPolarHBondContact O-CB 3.46Å; N815-H819 PolarHBondContact O-CD2 3.01Å; N815-H819 PolarHBondContact O-N 3.29Å; N815-H819 VanDerWaalsContact O-N 3.15Å
816	S	66.5	Low	68.9	Low	64 Å²	64	61.1 Å²	61.1	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-40.3	176.8	55.4	0	0	0	0	111.6	S813 F814 A820	S813-S816 PolarHBondContact O-OG 3Å; F814-S816 PolarHBondContact O-N 3.16Å; S816-A820 VanDerWaalsContact O-CB 3.26Å; S816-A820 WeakPolarHBondContact O-CB 3.35Å; S816-A820 PolarHBondContact O-N 3.17Å
817	L	69.1	Low	68	Low	78 Å²	78	63.2 Å²	63.2	41%	0.408	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-43.9	179.5	-68.3	168	0	0	0	112.8	A299 F812 S813 F814 A820 S821	A299-L817 HydrophobicContact CB-CD1 3.57Å; F812-L817 HydrophobicContact CD2-CD1 4.48Å; F812-L817 HydrophobicContact CE2-CD1 4.06Å; S813-L817 WeakPolarHBondContact O-CD1 3.49Å; S813-L817 WeakPolarHBondContact O-CG 3.42Å; F814-L817 PolarHBondContact O-N 3.04Å; L817-A820 PolarHBondContact O-N 2.95Å; L817-S821 PolarHBondContact O-N 3.14Å; L817-S821 PolarHBondContact O-OG 3.02Å
818	I	67.1	Low	66.8	Low	26 Å²	26	61.8 Å²	61.8	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-45.5	178	-66	162.4	0	0	0	109.9	V88 V292 F814 S821 A822	V88-I818 HydrophobicContact CG1-CD1 4.19Å; V292-I818 HydrophobicContact CG1-CD1 3.69Å; V292-I818 HydrophobicContact CG1-CG1 4.27Å; F814-I818 HydrophobicContact CB-CD1 4.4Å; F814-I818 WeakPolarHBondContact O-CD1 3.25Å; F814-I818 WeakPolarHBondContact O-CG1 3.48Å; F814-I818 PolarHBondContact O-N 3.21Å; I818-S821 PolarHBondContact O-N 3.47Å; I818-S821 PolarHBondContact O-OG 3.42Å; I818-A822 PolarHBondContact O-N 3.25Å; I818-A822 VanDerWaalsContact O-N 3.17Å
819	H	59.6	Low	65.4	Low	122 Å²	122	59.9 Å²	59.9	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-68.3	-36.5	178.2	-81.1	-60.7	0	0	0	113.6	N815 A822 A823	N815-H819 WeakPolarHBondContact O-CB 3.46Å; N815-H819 PolarHBondContact O-CD2 3.01Å; N815-H819 PolarHBondContact O-N 3.29Å; N815-H819 VanDerWaalsContact O-N 3.15Å; H819-A822 PolarHBondContact O-N 2.98Å; H819-A823 PolarHBondContact O-N 2.81Å
820	A	54	Low	63.9	Low	59 Å²	59	63.4 Å²	63.4	49%	0.488	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-40.8	175.2	0	0	0	0	0	111.7	S816 L817 A822 A823 V824	S816-A820 VanDerWaalsContact O-CB 3.26Å; S816-A820 WeakPolarHBondContact O-CB 3.35Å; S816-A820 PolarHBondContact O-N 3.17Å; L817-A820 PolarHBondContact O-N 2.95Å; A820-A822 VanDerWaalsContact C-N 3.31Å; A820-A822 PolarHBondContact O-N 3.38Å; A820-A823 PolarHBondContact O-N 3.32Å; A820-V824 PolarHBondContact O-N 2.98Å
821	S	41.3	Very low	62.3	Low	36 Å²	36	62.6 Å²	62.6	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-73.4	-19.5	178.3	78.3	0	0	0	0	114.6	Q295 L817 I818	Q295-S821 PolarHBondContact NE2-OG 3.06Å; Q295-S821 PolarHBondContact OE1-OG 2.93Å; L817-S821 PolarHBondContact O-N 3.14Å; L817-S821 PolarHBondContact O-OG 3.02Å; I818-S821 PolarHBondContact O-N 3.47Å; I818-S821 PolarHBondContact O-OG 3.42Å
822	A	36.5	Very low	60.4	Low	61 Å²	61	63.6 Å²	63.6	50%	0.504	40%	0.396	S	S	.	.	H	α-helix	trans	-86.5	-13.6	174.1	0	0	0	0	0	112.5	I818 H819 A820	I818-A822 PolarHBondContact O-N 3.25Å; I818-A822 VanDerWaalsContact O-N 3.17Å; H819-A822 PolarHBondContact O-N 2.98Å; A820-A822 VanDerWaalsContact C-N 3.31Å; A820-A822 PolarHBondContact O-N 3.38Å
823	A	28.2	Very low	58	Low	62 Å²	62	66.6 Å²	66.6	51%	0.512	42%	0.419	S	S	.	.	H	α-helix	trans	-92.8	-16.1	179	0	0	0	0	0	113.5	H819 A820	H819-A823 PolarHBondContact O-N 2.81Å; A820-A823 PolarHBondContact O-N 3.32Å
824	V	28.7	Very low	55.4	Low	179 Å²	179	70.7 Å²	70.7	100%	1.085	44%	0.444	S	S	*	.			trans	-92.5	0	167.3	-176.6	0	0	0	0	108.3	A820	A820-V824 PolarHBondContact O-N 2.98Å

Retrieved 824 of 824 residues in 2680.4 ms (Link to these results)

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