A0A077ZAJ6_TRITR Loading...

Predicted CDS Pa 7 8930

AlphaFold DB , UniProt , Accession A0A077ZAJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,078 aa.

						>A0A077ZAJ6_TRITR|A0A077ZAJ6
MCGSFVFCSSLVEWIKDSISFLHETSDLLCFPRSASLETILMSYEDLTYENDGVVAQSGPSAPVATAANLGGYTSQMYLIEQEIIANVATPTKEDEKPAENDCKTLRDGKKITAWSDVTIIEVLTECIERLKENVSVFKEIEKSLAVMCDGFAASVKMSNLYVCTPISKKLTYSPNLTVCPLCQSEAPAELIVIDHKLDFVKEELLDKAWYSMLRTLDRHFDDFVDDFCDNFSLFACLVQEYSRRSENRIQASLTYDEAEKSKLMDLMIAASACDEAVLPPEMCTFVAKSLRQVVVKAFLRRYRNYEANEILRTIFADSNTFSLVIQDLPVNLLTMDQFFVAYESFLRVLALPEGEDLDCCMVMNVLDVARLEPELTSSTVMSFLTLILSTYRDSKSLTYRNPEMCSVFNSHVRFLLLCNEMAHFESGLTLLINEYFADCSQLLKETVSDLNSTPKIDMLRFEVVCNCLDCLNDCTPSSDGIAIALTLYYICLHRKVDLWKAAMEKEGVVPTVEELEATVDKAYSFAAVRTMMRRDIDPRQWCTLLEQYYLIVRCLSNFFIETKCDIVENTLLLLLIAGLSYFNSTYLDERAKKVMDDYATEIKWNTVVPTLEIINCFISFIASAKRKQKVFFIRVVVQLRWTEFVRSSLETLDSSMPVIARALELLFSCIFCNDAQPHSSSLVDLLDLFKLVPKATIVGENRQQLLLYFSRRATCCHLCREESAPQNAAFRALKHLMCFDGVGGQHTCAEVCTDSQRALLDVILEIFKHRCRDSPAKKLIDAQWTPLLEDICACINLAENRFVHINRGKILFNSVVSYLVDGDGNKAFLIDATIQWMKTSPASAYLIYVLNSLSENLSSKPDVCLSLAEECLKAYFANLISASWSDVVANFSLTSETSNDLPAKCRQKCLYWVLYSHLLSRLYSDDSDTDTADLALQCVSVCNELIDKQADELLCVMYLLLLVNTLSAMVERCCTLTVGVFKQFLLLCGILEVFIVTRLQSDLSLQDVYAEEDKDAISMQTLKETAIFEAYTNTIDLAAEMMTHFQESGGMVNLHTFVSKVALALYSERCINDRCIA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	35.9	Very low	103 Å²	103	78.9 Å²	78.9	51%	0.507	47%	0.472	S	S	.	.				0	15.5	0	-69.1	174.1	-167.4	0	0	115.1	G3 D195 H196	M1-G3 PolarHBondContact O-N 3.1Å; M1-D195 PolarHBondContact N-OD1 2.98Å; M1-H196 HydrophobicContact CE-CB 3.71Å
2	C	28.5	Very low	36.8	Very low	92 Å²	92	74.9 Å²	74.9	62%	0.622	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.4	-172.3	-57.6	0	0	0	0	116.4	V6	C2-V6 WeakPolarHBondContact O-CG2 3.35Å
3	G	32.4	Very low	37.7	Very low	61 Å²	61	77.7 Å²	77.7	63%	0.629	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-39	177.8	0	0	0	0	0	113.2	M1 F7	M1-G3 PolarHBondContact O-N 3.1Å; G3-F7 PolarHBondContact O-N 2.7Å
4	S	35.1	Very low	38.4	Very low	64 Å²	64	83.2 Å²	83.2	45%	0.448	46%	0.463	S	S	.	.	H	α-helix	trans	-85	-28.3	-177	22.7	0	0	0	0	113.4	C8	S4-C8 PolarHBondContact O-N 2.82Å
5	F	32.6	Very low	39	Very low	139 Å²	139	79.1 Å²	79.1	61%	0.61	44%	0.439	S	S	*	.	H	α-helix	trans	-73.4	-33.4	171.9	-108.1	-89.8	0	0	0	113	F7 S9	F5-F7 VanDerWaalsContact C-N 3.33Å; F5-S9 PolarHBondContact O-N 3.29Å; F5-S9 VanDerWaalsContact O-N 3.14Å
6	V	33.1	Very low	39.5	Very low	80 Å²	80	78.6 Å²	78.6	49%	0.485	43%	0.431	S	S	.	.	H	α-helix	trans	-70.9	-31.1	177.5	174	0	0	0	0	110.9	C2 S9 S10	C2-V6 WeakPolarHBondContact O-CG2 3.35Å; V6-S9 PolarHBondContact O-N 3.25Å; V6-S9 PolarHBondContact O-OG 3.05Å; V6-S10 VanDerWaalsContact O-CB 3.29Å; V6-S10 WeakPolarHBondContact O-CB 3.29Å; V6-S10 PolarHBondContact O-N 3.22Å; V6-S10 PolarHBondContact O-OG 3.46Å
7	F	35.9	Very low	40	Very low	118 Å²	118	79.6 Å²	79.6	52%	0.518	44%	0.436	S	S	.	.	H	α-helix	trans	-78	-34.3	179.8	-142.2	-89.2	0	0	0	113.3	G3 F5 S10 L11	G3-F7 PolarHBondContact O-N 2.7Å; F5-F7 VanDerWaalsContact C-N 3.33Å; F7-S10 PolarHBondContact O-N 3.28Å; F7-L11 WeakPolarHBondContact O-CB 3.41Å; F7-L11 PolarHBondContact O-N 3.03Å
8	C	37.2	Very low	40.3	Very low	49 Å²	49	77.4 Å²	77.4	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-66	-40.8	168.6	-86.8	0	0	0	0	111.3	S4 S10 L11 V12 F152	S4-C8 PolarHBondContact O-N 2.82Å; C8-S10 VanDerWaalsContact C-N 3.34Å; C8-L11 PolarHBondContact O-N 3.26Å; C8-V12 VanDerWaalsContact O-CB 3.26Å; C8-V12 WeakPolarHBondContact O-CB 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.34Å; C8-V12 PolarHBondContact O-N 2.92Å; C8-F152 WeakPolarHBondContact SG-CE1 3.47Å
9	S	39.4	Very low	40.4	Very low	58 Å²	58	76 Å²	76	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-37.3	174	79.7	0	0	0	0	111.8	F5 V6 E13	F5-S9 PolarHBondContact O-N 3.29Å; F5-S9 VanDerWaalsContact O-N 3.14Å; V6-S9 PolarHBondContact O-N 3.25Å; V6-S9 PolarHBondContact O-OG 3.05Å; S9-E13 WeakPolarHBondContact O-CA 3.29Å; S9-E13 WeakPolarHBondContact O-CB 3.07Å; S9-E13 PolarHBondContact O-N 2.72Å
10	S	43.9	Very low	40.4	Very low	50 Å²	50	75.2 Å²	75.2	35%	0.35	42%	0.419	S	S	.	.	H	α-helix	trans	-73.8	-31.6	177.4	-64	0	0	0	0	113.9	V6 F7 C8 W14	V6-S10 VanDerWaalsContact O-CB 3.29Å; V6-S10 WeakPolarHBondContact O-CB 3.29Å; V6-S10 PolarHBondContact O-N 3.22Å; V6-S10 PolarHBondContact O-OG 3.46Å; F7-S10 PolarHBondContact O-N 3.28Å; C8-S10 VanDerWaalsContact C-N 3.34Å; S10-W14 WeakPolarHBondContact O-CA 3.19Å; S10-W14 WeakPolarHBondContact O-CB 3.31Å; S10-W14 PolarHBondContact O-N 2.83Å
11	L	44.9	Very low	40.3	Very low	54 Å²	54	76 Å²	76	28%	0.283	42%	0.418	S	S	.	.	H	α-helix	trans	-73.5	-40.5	172.6	-170.9	78.9	0	0	0	110.3	F7 C8 W14 I15	F7-L11 WeakPolarHBondContact O-CB 3.41Å; F7-L11 PolarHBondContact O-N 3.03Å; C8-L11 PolarHBondContact O-N 3.26Å; L11-W14 PolarHBondContact O-N 2.92Å; L11-I15 HydrophobicContact CG-CD1 4.1Å; L11-I15 WeakPolarHBondContact O-CB 3.46Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 2.87Å
12	V	46.6	Very low	40.5	Very low	31 Å²	31	73.9 Å²	73.9	19%	0.188	41%	0.408	C	S	.	.	H	α-helix	trans	-65.7	-43.5	173.3	173	0	0	0	0	110.5	C8 I15 K16 L41	C8-V12 VanDerWaalsContact O-CB 3.26Å; C8-V12 WeakPolarHBondContact O-CB 3.26Å; C8-V12 WeakPolarHBondContact O-CG2 3.34Å; C8-V12 PolarHBondContact O-N 2.92Å; V12-I15 PolarHBondContact O-N 3.38Å; V12-K16 HydrophobicContact CG1-CD 3.96Å; V12-K16 HydrophobicContact CG1-CG 4.27Å; V12-K16 WeakPolarHBondContact O-CB 3.45Å; V12-K16 WeakPolarHBondContact O-CG 3.3Å; V12-K16 PolarHBondContact O-N 3.48Å; V12-L41 HydrophobicContact CG2-CD2 3.8Å
13	E	47.9	Very low	40.9	Very low	111 Å²	111	75.4 Å²	75.4	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-41.2	171	-91.8	-177.7	151.4	0	0	110.8	S9 K16 D17	S9-E13 WeakPolarHBondContact O-CA 3.29Å; S9-E13 WeakPolarHBondContact O-CB 3.07Å; S9-E13 PolarHBondContact O-N 2.72Å; E13-K16 CarbonylContact O-C 3.5Å; E13-K16 PolarHBondContact O-N 3.39Å; E13-D17 WeakPolarHBondContact O-CA 3.36Å; E13-D17 WeakPolarHBondContact O-CB 3.46Å; E13-D17 PolarHBondContact O-N 3.43Å
14	W	47.9	Very low	41.1	Very low	155 Å²	155	80.7 Å²	80.7	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-66.9	-39.7	178.5	-177.6	79.4	0	0	0	112	S10 L11 S18	S10-W14 WeakPolarHBondContact O-CA 3.19Å; S10-W14 WeakPolarHBondContact O-CB 3.31Å; S10-W14 PolarHBondContact O-N 2.83Å; L11-W14 PolarHBondContact O-N 2.92Å; W14-S18 WeakPolarHBondContact O-CB 3.03Å; W14-S18 PolarHBondContact O-N 3.42Å; W14-S18 PolarHBondContact O-OG 2.93Å
15	I	47.4	Very low	41.2	Very low	21 Å²	21	81 Å²	81	11%	0.108	41%	0.413	C	S	.	.	H	α-helix	trans	-69.4	-42.6	173.5	-65.8	166.7	0	0	0	110.2	L11 V12 S18 I19 L41	L11-I15 HydrophobicContact CG-CD1 4.1Å; L11-I15 WeakPolarHBondContact O-CB 3.46Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 2.87Å; V12-I15 PolarHBondContact O-N 3.38Å; I15-S18 PolarHBondContact O-N 3.23Å; I15-I19 HydrophobicContact CG2-CD1 3.57Å; I15-I19 HydrophobicContact CG2-CG1 4.31Å; I15-I19 VanDerWaalsContact O-CB 3.31Å; I15-I19 WeakPolarHBondContact O-CB 3.36Å; I15-I19 WeakPolarHBondContact O-CD1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 2.9Å; I15-L41 HydrophobicContact CB-CD1 4.39Å; I15-L41 HydrophobicContact CD1-CD1 4.14Å; I15-L41 HydrophobicContact CD1-CD2 4.03Å; I15-L41 HydrophobicContact CG2-CD1 3.63Å
16	K	47.7	Very low	41.1	Very low	72 Å²	72	78.9 Å²	78.9	31%	0.313	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.8	-79.7	-177.7	176.3	-168.6	0	112	V12 E13 I19 S20 E45	V12-K16 HydrophobicContact CG1-CD 3.96Å; V12-K16 HydrophobicContact CG1-CG 4.27Å; V12-K16 WeakPolarHBondContact O-CB 3.45Å; V12-K16 WeakPolarHBondContact O-CG 3.3Å; V12-K16 PolarHBondContact O-N 3.48Å; E13-K16 CarbonylContact O-C 3.5Å; E13-K16 PolarHBondContact O-N 3.39Å; K16-I19 CarbonylContact O-C 3.45Å; K16-I19 PolarHBondContact O-N 3.01Å; K16-S20 WeakPolarHBondContact O-CA 3.49Å; K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.75Å; K16-S20 PolarHBondContact O-OG 2.87Å; K16-E45 IonicContact NZ-OE1 2.73Å; K16-E45 PolarHBondContact NZ-OE1 3Å; K16-E45 IonicContact NZ-OE2 3.8Å; K16-E45 PolarHBondContact NZ-OE2 3.17Å
17	D	48.3	Very low	41.3	Very low	96 Å²	96	82.3 Å²	82.3	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176	-75.3	-11.6	0	0	0	109.3	E13 I19 S20 F21	E13-D17 WeakPolarHBondContact O-CA 3.36Å; E13-D17 WeakPolarHBondContact O-CB 3.46Å; E13-D17 PolarHBondContact O-N 3.43Å; D17-I19 VanDerWaalsContact C-N 3.35Å; D17-I19 PolarHBondContact O-N 3.41Å; D17-S20 WeakPolarHBondContact CA-OG 3.42Å; D17-S20 PolarHBondContact O-N 2.91Å; D17-S20 PolarHBondContact O-OG 3.25Å; D17-F21 WeakPolarHBondContact O-CB 3.05Å; D17-F21 PolarHBondContact O-N 3.47Å
18	S	44.2	Very low	41.3	Very low	40 Å²	40	82.2 Å²	82.2	28%	0.28	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-41.8	173.8	-59.8	0	0	0	0	111.3	W14 I15 L22	W14-S18 WeakPolarHBondContact O-CB 3.03Å; W14-S18 PolarHBondContact O-N 3.42Å; W14-S18 PolarHBondContact O-OG 2.93Å; I15-S18 PolarHBondContact O-N 3.23Å; S18-L22 WeakPolarHBondContact O-CB 3.18Å; S18-L22 VanDerWaalsContact O-CD1 3.25Å; S18-L22 WeakPolarHBondContact O-CD1 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.14Å; S18-L22 PolarHBondContact O-N 2.96Å; S18-L22 VanDerWaalsContact O-N 3.16Å
19	I	43.4	Very low	41.4	Very low	50 Å²	50	84.7 Å²	84.7	26%	0.256	45%	0.445	S	S	.	.	H	α-helix	trans	-71.7	-37.9	176.7	-68.4	167.5	0	0	0	112	I15 K16 D17 L22 H23	I15-I19 HydrophobicContact CG2-CD1 3.57Å; I15-I19 HydrophobicContact CG2-CG1 4.31Å; I15-I19 VanDerWaalsContact O-CB 3.31Å; I15-I19 WeakPolarHBondContact O-CB 3.36Å; I15-I19 WeakPolarHBondContact O-CD1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.47Å; I15-I19 PolarHBondContact O-N 2.9Å; K16-I19 CarbonylContact O-C 3.45Å; K16-I19 PolarHBondContact O-N 3.01Å; D17-I19 VanDerWaalsContact C-N 3.35Å; D17-I19 PolarHBondContact O-N 3.41Å; I19-L22 PolarHBondContact O-N 3.34Å; I19-H23 PolarHBondContact O-N 3.14Å; I19-H23 VanDerWaalsContact O-N 3.17Å
20	S	39.4	Very low	41.7	Very low	60 Å²	60	83 Å²	83	42%	0.42	43%	0.433	S	S	.	.	H	α-helix	trans	-75.7	-35.1	-179.6	73.5	0	0	0	0	111.6	K16 D17 L22 H23 E24	K16-S20 WeakPolarHBondContact O-CA 3.49Å; K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.75Å; K16-S20 PolarHBondContact O-OG 2.87Å; D17-S20 WeakPolarHBondContact CA-OG 3.42Å; D17-S20 PolarHBondContact O-N 2.91Å; D17-S20 PolarHBondContact O-OG 3.25Å; S20-L22 VanDerWaalsContact C-N 3.32Å; S20-H23 VanDerWaalsContact O-CB 3.29Å; S20-H23 WeakPolarHBondContact O-CB 2.89Å; S20-H23 PolarHBondContact O-N 3.45Å; S20-E24 PolarHBondContact O-N 3.48Å
21	F	37.8	Very low	41.6	Very low	93 Å²	93	83.7 Å²	83.7	41%	0.408	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-35	173.2	-158.3	-91.4	0	0	0	111	D17 H23 E24 E81	D17-F21 WeakPolarHBondContact O-CB 3.05Å; D17-F21 PolarHBondContact O-N 3.47Å; F21-H23 PolarHBondContact O-N 3.41Å; F21-E24 PolarHBondContact O-N 3Å; F21-E81 HydrophobicContact CZ-CG 4.22Å
22	L	37.9	Very low	41.6	Very low	58 Å²	58	82 Å²	82	30%	0.304	42%	0.422	S	S	.	.	H	α-helix	trans	-68.6	-19.4	169.2	-73.1	165.8	0	0	0	113.3	S18 I19 S20 L29 F31	S18-L22 WeakPolarHBondContact O-CB 3.18Å; S18-L22 VanDerWaalsContact O-CD1 3.25Å; S18-L22 WeakPolarHBondContact O-CD1 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.14Å; S18-L22 PolarHBondContact O-N 2.96Å; S18-L22 VanDerWaalsContact O-N 3.16Å; I19-L22 PolarHBondContact O-N 3.34Å; S20-L22 VanDerWaalsContact C-N 3.32Å; L22-L29 HydrophobicContact CD2-CB 4.25Å; L22-F31 HydrophobicContact CD1-CD2 4.43Å
23	H	36.4	Very low	41.7	Very low	123 Å²	123	85 Å²	85	57%	0.569	43%	0.43	S	S	*	.	H	α-helix	trans	-82	-16.8	178.9	-114.2	-47.5	0	0	0	113.8	I19 S20 F21 R33	I19-H23 PolarHBondContact O-N 3.14Å; I19-H23 VanDerWaalsContact O-N 3.17Å; S20-H23 VanDerWaalsContact O-CB 3.29Å; S20-H23 WeakPolarHBondContact O-CB 2.89Å; S20-H23 PolarHBondContact O-N 3.45Å; F21-H23 PolarHBondContact O-N 3.41Å; H23-R33 PolarHBondContact CD2-NH2 3.4Å; H23-R33 VanDerWaalsContact CD2-NH2 3.31Å; H23-R33 PolarHBondContact CE1-NH2 2.95Å; H23-R33 VanDerWaalsContact CE1-NH2 3.3Å; H23-R33 PolarHBondContact NE2-NH1 3.24Å; H23-R33 PolarHBondContact NE2-NH2 3.46Å
24	E	36.4	Very low	41.7	Very low	172 Å²	172	80.3 Å²	80.3	80%	0.804	41%	0.41	S	S	*	.	H	α-helix	trans	-98.2	-17	178.5	-70.6	-169.6	161.1	0	0	113.8	S20 F21 S26	S20-E24 PolarHBondContact O-N 3.48Å; F21-E24 PolarHBondContact O-N 3Å; E24-S26 PolarHBondContact O-N 3.01Å
25	T	37.1	Very low	41.9	Very low	70 Å²	70	76.2 Å²	76.2	43%	0.429	41%	0.409	S	S	.	.	S	Bend	trans	-90.9	78.5	169.4	52.6	0	0	0	0	110.6	D27	T25-D27 PolarHBondContact O-N 3.45Å; T25-D27 VanDerWaalsContact O-N 3.09Å
26	S	30.9	Very low	42.1	Very low	96 Å²	96	78.2 Å²	78.2	67%	0.671	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	116	167.7	53.7	0	0	0	0	109.9	E24	E24-S26 PolarHBondContact O-N 3.01Å
27	D	36.2	Very low	42.1	Very low	151 Å²	151	76.5 Å²	76.5	81%	0.807	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.3	-1.7	157.6	-53.3	-26.6	0	0	0	120.6	T25	T25-D27 PolarHBondContact O-N 3.45Å; T25-D27 VanDerWaalsContact O-N 3.09Å
28	L	37.6	Very low	42.3	Very low	116 Å²	116	75.7 Å²	75.7	61%	0.607	41%	0.412	S	S	*	.	S	Bend	trans	-128.5	-13.2	-166.9	-78.4	161.3	0	0	0	120.5	V88	L28-V88 HydrophobicContact CD1-CG1 4.05Å; L28-V88 HydrophobicContact CD1-CG2 4.07Å
29	L	38.7	Very low	42.6	Very low	101 Å²	101	78.1 Å²	78.1	53%	0.529	43%	0.425	S	S	.	.			trans	-141	113	177.3	-80.5	161.7	0	0	0	111.4	L22	L22-L29 HydrophobicContact CD2-CB 4.25Å
30	C	44.4	Very low	42.9	Very low	23 Å²	23	78.1 Å²	78.1	16%	0.155	43%	0.425	C	S	.	.			trans	-114.2	98.9	-173.4	-54.7	0	0	0	0	111.4	F228 P280 E282 M283	C30-F228 WeakPolarHBondContact O-CE1 3.28Å; C30-P280 HydrophobicContact CB-CB 4.19Å; C30-E282 HydrophobicContact CB-CB 4.26Å; C30-M283 HydrophobicContact CB-CB 3.91Å; C30-M283 HydrophobicContact CB-CE 3.74Å; C30-M283 HydrophobicContact CB-CG 3.39Å; C30-M283 HydrophobicContact CB-SD 3.76Å
31	F	41.9	Very low	43.3	Very low	64 Å²	64	76.4 Å²	76.4	28%	0.281	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-84.7	146.2	166.9	-89	-86.9	0	0	0	110.7	L22 R33 F221 F224 V225	L22-F31 HydrophobicContact CD1-CD2 4.43Å; F31-R33 PolarHBondContact O-N 2.77Å; F31-F221 HydrophobicContact CE1-CE2 4.33Å; F31-F221 AromaticContact CE1-CZ 3.78Å; F31-F221 HydrophobicContact CE1-CZ 3.78Å; F31-F221 HydrophobicContact CZ-CZ 4.29Å; F31-F224 HydrophobicContact CD1-CE1 4.43Å; F31-F224 HydrophobicContact CE1-CE1 4.22Å; F31-V225 HydrophobicContact CE1-CG2 3.72Å; F31-V225 HydrophobicContact CZ-CG1 4.14Å; F31-V225 HydrophobicContact CZ-CG2 3.71Å
32	P	45.3	Very low	43.8	Very low	18 Å²	18	77.1 Å²	77.1	12%	0.117	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-62.1	118.9	177.2	-7.7	19.2	0	0	0	111.1	F138 F224 P280	P32-F138 HydrophobicContact CB-CD1 3.7Å; P32-F138 HydrophobicContact CB-CE1 3.58Å; P32-F138 HydrophobicContact CB-CE2 4.43Å; P32-F138 HydrophobicContact CB-CG 4.19Å; P32-F138 HydrophobicContact CB-CZ 3.96Å; P32-F138 HydrophobicContact CG-CB 4.35Å; P32-F138 HydrophobicContact CG-CD1 3.77Å; P32-F138 HydrophobicContact CG-CD2 3.87Å; P32-F138 HydrophobicContact CG-CE1 3.97Å; P32-F138 HydrophobicContact CG-CE2 4.05Å; P32-F138 HydrophobicContact CG-CG 3.72Å; P32-F138 HydrophobicContact CG-CZ 4.09Å; P32-F138 WeakPolarHBondContact O-CE1 3.4Å; P32-F138 WeakPolarHBondContact O-CZ 3.38Å; P32-F224 HydrophobicContact CG-CZ 4.35Å; P32-P280 HydrophobicContact CB-CB 4.42Å; P32-P280 HydrophobicContact CB-CG 4.07Å; P32-P280 HydrophobicContact CG-CG 3.94Å
33	R	48.6	Very low	44.2	Very low	94 Å²	94	77.8 Å²	77.8	36%	0.355	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-80	132.8	173.6	-70.4	-170.6	170.5	-170.6	0.9	110.6	H23 F31 P281 E282	H23-R33 PolarHBondContact CD2-NH2 3.4Å; H23-R33 VanDerWaalsContact CD2-NH2 3.31Å; H23-R33 PolarHBondContact CE1-NH2 2.95Å; H23-R33 VanDerWaalsContact CE1-NH2 3.3Å; H23-R33 PolarHBondContact NE2-NH1 3.24Å; H23-R33 PolarHBondContact NE2-NH2 3.46Å; F31-R33 PolarHBondContact O-N 2.77Å; R33-P281 HydrophobicContact CB-CG 4.11Å; R33-E282 WeakPolarHBondContact CD-OE1 3.47Å; R33-E282 IonicContact CZ-OE1 2.62Å; R33-E282 IonicContact NE-OE1 3.25Å; R33-E282 PolarHBondContact NE-OE1 2.71Å; R33-E282 IonicContact NE-OE2 2.9Å; R33-E282 IonicContact NH1-OE1 3.49Å; R33-E282 IonicContact NH2-OE1 2.87Å; R33-E282 PolarHBondContact NH2-OE1 2.87Å
34	S	49.4	Very low	44.8	Very low	14 Å²	14	78.3 Å²	78.3	10%	0.098	43%	0.425	C	S	.	.			trans	-112.6	114.2	173.3	163.8	0	0	0	0	111.1	S36 L37 E38 E142	S34-S36 PolarHBondContact O-N 3.41Å; S34-S36 PolarHBondContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-OG 2.96Å; S34-L37 PolarHBondContact O-N 3.37Å; S34-L37 VanDerWaalsContact O-N 3.16Å; S34-L37 WeakPolarHBondContact OG-CB 3.35Å; S34-L37 PolarHBondContact OG-N 3.42Å; S34-E38 PolarHBondContact O-N 3.1Å; S34-E142 WeakPolarHBondContact CB-OE1 3.44Å; S34-E142 PolarHBondContact OG-OE1 2.89Å
35	A	50.8	Low	45	Very low	69 Å²	69	74.9 Å²	74.9	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-62.1	-31.2	172	0	0	0	0	0	111.9	T39	A35-T39 VanDerWaalsContact O-CB 3.28Å; A35-T39 WeakPolarHBondContact O-CB 3.06Å; A35-T39 PolarHBondContact O-N 2.78Å; A35-T39 PolarHBondContact O-OG1 3.32Å
36	S	51.1	Low	44.8	Very low	62 Å²	62	78.5 Å²	78.5	43%	0.434	43%	0.425	S	S	.	.	H	α-helix	trans	-65.2	-42.5	173	23.4	0	0	0	0	111.5	S34 T39 I40 E142	S34-S36 PolarHBondContact O-N 3.41Å; S34-S36 PolarHBondContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-OG 2.96Å; S36-T39 PolarHBondContact O-N 2.73Å; S36-I40 WeakPolarHBondContact O-CB 3.34Å; S36-I40 WeakPolarHBondContact O-CD1 3.48Å; S36-I40 WeakPolarHBondContact O-CG1 3.28Å; S36-I40 PolarHBondContact O-N 3.19Å; S36-E142 PolarHBondContact OG-OE1 2.72Å
37	L	48.8	Very low	44.9	Very low	36 Å²	36	80.6 Å²	80.6	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-67.6	-45.5	177.7	-149.1	87.4	0	0	0	111.2	S34 T39 I40 L41 E142 L145	S34-L37 PolarHBondContact O-N 3.37Å; S34-L37 VanDerWaalsContact O-N 3.16Å; S34-L37 WeakPolarHBondContact OG-CB 3.35Å; S34-L37 PolarHBondContact OG-N 3.42Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 2.89Å; L37-I40 PolarHBondContact O-N 3.44Å; L37-L41 HydrophobicContact CD2-CD1 3.97Å; L37-L41 HydrophobicContact CG-CD1 4.04Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 WeakPolarHBondContact O-CD1 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 2.9Å; L37-E142 HydrophobicContact CD1-CG 3.92Å; L37-L145 HydrophobicContact CD1-CD2 3.59Å; L37-L145 HydrophobicContact CD2-CD2 4.02Å; L37-L145 HydrophobicContact CG-CD2 4.22Å
38	E	52	Low	44.8	Very low	80 Å²	80	79.3 Å²	79.3	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-45.6	172.6	-84.1	-176.5	158.8	0	0	111.1	S34 I40 L41 M42	S34-E38 PolarHBondContact O-N 3.1Å; E38-I40 PolarHBondContact O-N 3.21Å; E38-L41 CarbonylContact O-C 3.44Å; E38-L41 PolarHBondContact O-N 3.26Å; E38-M42 VanDerWaalsContact O-CB 3.24Å; E38-M42 WeakPolarHBondContact O-CB 3.43Å; E38-M42 WeakPolarHBondContact O-CG 3.44Å; E38-M42 PolarHBondContact O-N 3.07Å
39	T	51	Low	44.4	Very low	91 Å²	91	84.6 Å²	84.6	56%	0.558	44%	0.44	S	S	*	.	H	α-helix	trans	-63.7	-40.8	178.5	-54.4	0	0	0	0	111.8	A35 S36 L37 L41 S43	A35-T39 VanDerWaalsContact O-CB 3.28Å; A35-T39 WeakPolarHBondContact O-CB 3.06Å; A35-T39 PolarHBondContact O-N 2.78Å; A35-T39 PolarHBondContact O-OG1 3.32Å; S36-T39 PolarHBondContact O-N 2.73Å; L37-T39 VanDerWaalsContact C-N 3.33Å; L37-T39 PolarHBondContact O-N 2.89Å; T39-L41 VanDerWaalsContact C-N 3.35Å; T39-S43 WeakPolarHBondContact O-CB 3.22Å; T39-S43 PolarHBondContact O-N 3.34Å; T39-S43 PolarHBondContact O-OG 3.33Å
40	I	50.5	Low	44.1	Very low	50 Å²	50	88.7 Å²	88.7	26%	0.256	46%	0.456	S	S	.	.	H	α-helix	trans	-65.4	-39.8	175.7	-69.4	164	0	0	0	110.5	S36 L37 E38 S43 Y44 A146 C149	S36-I40 WeakPolarHBondContact O-CB 3.34Å; S36-I40 WeakPolarHBondContact O-CD1 3.48Å; S36-I40 WeakPolarHBondContact O-CG1 3.28Å; S36-I40 PolarHBondContact O-N 3.19Å; L37-I40 PolarHBondContact O-N 3.44Å; E38-I40 PolarHBondContact O-N 3.21Å; I40-S43 PolarHBondContact O-OG 3.1Å; I40-Y44 WeakPolarHBondContact O-CD2 3.36Å; I40-A146 HydrophobicContact CD1-CB 4.32Å; I40-C149 HydrophobicContact CG2-CB 4.45Å
41	L	46.9	Very low	43.5	Very low	23 Å²	23	94.5 Å²	94.5	12%	0.12	49%	0.485	C	S	.	.	H	α-helix	trans	-75.1	-32.7	179.6	-67.3	164.7	0	0	0	112.7	V12 I15 L37 E38 T39	V12-L41 HydrophobicContact CG2-CD2 3.8Å; I15-L41 HydrophobicContact CB-CD1 4.39Å; I15-L41 HydrophobicContact CD1-CD1 4.14Å; I15-L41 HydrophobicContact CD1-CD2 4.03Å; I15-L41 HydrophobicContact CG2-CD1 3.63Å; L37-L41 HydrophobicContact CD2-CD1 3.97Å; L37-L41 HydrophobicContact CG-CD1 4.04Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 WeakPolarHBondContact O-CD1 3.46Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 2.9Å; E38-L41 CarbonylContact O-C 3.44Å; E38-L41 PolarHBondContact O-N 3.26Å; T39-L41 VanDerWaalsContact C-N 3.35Å
42	M	48.6	Very low	43	Very low	109 Å²	109	99.1 Å²	99.1	54%	0.537	51%	0.513	S	S	.	.	H	α-helix	trans	-85.5	-32	-179.6	-64.5	-133.8	79.7	0	0	113.3	E38 Y44 E45	E38-M42 VanDerWaalsContact O-CB 3.24Å; E38-M42 WeakPolarHBondContact O-CB 3.43Å; E38-M42 WeakPolarHBondContact O-CG 3.44Å; E38-M42 PolarHBondContact O-N 3.07Å; M42-Y44 PolarHBondContact O-N 2.7Å; M42-E45 WeakPolarHBondContact CE-OE2 3.29Å; M42-E45 PolarHBondContact O-N 3.37Å
43	S	46	Very low	42.3	Very low	71 Å²	71	101.2 Å²	101.2	50%	0.497	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-68.7	-14.9	-178.7	57.6	0	0	0	0	114.7	T39 I40	T39-S43 WeakPolarHBondContact O-CB 3.22Å; T39-S43 PolarHBondContact O-N 3.34Å; T39-S43 PolarHBondContact O-OG 3.33Å; I40-S43 PolarHBondContact O-OG 3.1Å
44	Y	48.2	Very low	41.6	Very low	135 Å²	135	101.7 Å²	101.7	53%	0.529	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-86.1	-4.7	175.3	-86.5	-87.7	0	0	0	113.9	I40 M42 D46 A153	I40-Y44 WeakPolarHBondContact O-CD2 3.36Å; M42-Y44 PolarHBondContact O-N 2.7Å; Y44-D46 VanDerWaalsContact C-N 3.35Å; Y44-D46 PolarHBondContact O-N 3.11Å; Y44-A153 WeakPolarHBondContact OH-CB 3.14Å
45	E	42.1	Very low	40.8	Very low	99 Å²	99	105.1 Å²	105.1	46%	0.463	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-80.6	-6.2	179.5	-71.4	-170.8	131.5	0	0	114.6	K16 M42 L47	K16-E45 IonicContact NZ-OE1 2.73Å; K16-E45 PolarHBondContact NZ-OE1 3Å; K16-E45 IonicContact NZ-OE2 3.8Å; K16-E45 PolarHBondContact NZ-OE2 3.17Å; M42-E45 WeakPolarHBondContact CE-OE2 3.29Å; M42-E45 PolarHBondContact O-N 3.37Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.45Å
46	D	32.5	Very low	39.9	Very low	146 Å²	146	103.1 Å²	103.1	78%	0.781	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-83.8	11.8	-179.2	-87	-20.1	0	0	0	115.8	Y44 T48	Y44-D46 VanDerWaalsContact C-N 3.35Å; Y44-D46 PolarHBondContact O-N 3.11Å; D46-T48 VanDerWaalsContact C-N 3.33Å; D46-T48 PolarHBondContact O-N 3.49Å
47	L	33.7	Very low	39.1	Very low	140 Å²	140	106 Å²	106	73%	0.733	56%	0.562	S	S	*	*			trans	-89.2	65	170.2	-76.4	163.5	0	0	0	111.2	E45	E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.45Å
48	T	32.1	Very low	38.5	Very low	125 Å²	125	109.7 Å²	109.7	77%	0.767	59%	0.59	S	S	*	*			trans	-99.1	142.7	170.1	46.2	0	0	0	0	112.1	D46	D46-T48 VanDerWaalsContact C-N 3.33Å; D46-T48 PolarHBondContact O-N 3.49Å
49	Y	29.7	Very low	37.5	Very low	227 Å²	227	109.6 Å²	109.6	89%	0.89	61%	0.61	S	S	*	*			trans	-64.3	142.5	-162.5	-81.9	-108.8	0	0	0	117.4
50	E	32.2	Very low	36.8	Very low	186 Å²	186	111.3 Å²	111.3	87%	0.869	62%	0.623	S	S	*	*			trans	-136.4	112.5	149.7	-76.8	-165.9	158.9	0	0	112.4
51	N	31.7	Very low	36	Very low	145 Å²	145	114.4 Å²	114.4	78%	0.775	65%	0.649	S	S	*	*			trans	57.4	138	145	-66.2	-27.4	0	0	0	126.4
52	D	32.1	Very low	35.1	Very low	161 Å²	161	117.8 Å²	117.8	86%	0.861	68%	0.68	S	S	*	*			trans	102.9	97.3	148.9	-66.6	-16.4	0	0	0	123.4
53	G	31.1	Very low	34.3	Very low	62 Å²	62	118 Å²	118	64%	0.639	69%	0.69	S	S	*	*			trans	78.8	153.3	141.2	0	0	0	0	0	120.4
54	V	32.7	Very low	33.4	Very low	104 Å²	104	121.2 Å²	121.2	63%	0.63	71%	0.706	S	S	*	*			cis	178.3	150	5.2	146.1	0	0	0	0	108.7	I192	V54-I192 WeakPolarHBondContact O-CG2 3.28Å
55	V	33.2	Very low	32.4	Very low	86 Å²	86	118.9 Å²	118.9	52%	0.521	72%	0.715	S	S	.	*			trans	36.5	148.8	161.2	-158.3	0	0	0	0	129.2	I192	V55-I192 HydrophobicContact CB-CD1 3.4Å; V55-I192 HydrophobicContact CB-CG1 4.25Å; V55-I192 HydrophobicContact CG1-CD1 3.78Å; V55-I192 HydrophobicContact CG2-CD1 3.1Å; V55-I192 HydrophobicContact CG2-CG1 4.33Å; V55-I192 VanDerWaalsContact N-CG1 3.32Å; V55-I192 WeakPolarHBondContact O-CG2 3.14Å
56	A	31.2	Very low	31.6	Very low	27 Å²	27	120.9 Å²	120.9	22%	0.223	73%	0.734	C	S	.	*				-156.2	172	-109.3	0	0	0	0	0	119.9	K170 I192	A56-K170 HydrophobicContact CB-CB 3.03Å; A56-K170 HydrophobicContact CB-CD 3.17Å; A56-K170 HydrophobicContact CB-CG 2.99Å; A56-I192 HydrophobicContact CB-CB 3.95Å; A56-I192 HydrophobicContact CB-CD1 3.72Å; A56-I192 HydrophobicContact CB-CG1 3.35Å; A56-I192 HydrophobicContact CB-CG2 3.54Å
57	Q	36	Very low	31.5	Very low	124 Å²	124	118.9 Å²	118.9	58%	0.579	74%	0.738	S	S	*	*				147.2	134	129.2	-138.8	155.5	40.8	0	0	118.9	K170	Q57-K170 VanDerWaalsContact CA-CB 3.44Å; Q57-K170 HydrophobicContact CB-CB 4.28Å; Q57-K170 HydrophobicContact CB-CD 3.9Å; Q57-K170 HydrophobicContact CG-CD 3.56Å
58	S	36.3	Very low	31.2	Very low	113 Å²	113	116.3 Å²	116.3	79%	0.79	74%	0.737	S	S	*	*			trans	67	140.9	147.4	53.5	0	0	0	0	127.3
59	G	30.3	Very low	31.2	Very low	77 Å²	77	115.8 Å²	115.8	79%	0.794	73%	0.729	S	S	*	*			trans	-85.1	-147.6	-170.7	0	0	0	0	0	119.5
60	P	35	Very low	31.3	Very low	128 Å²	128	112.2 Å²	112.2	83%	0.831	73%	0.725	S	S	*	*			cis	-138.4	-165.9	8	41.6	-19.5	0	0	0	116.9
61	S	34.1	Very low	31.2	Very low	114 Å²	114	105.8 Å²	105.8	80%	0.797	71%	0.709	S	S	*	*			trans	96.7	96.2	155.1	75	0	0	0	0	123.7
62	A	29.6	Very low	31.3	Very low	94 Å²	94	100.8 Å²	100.8	78%	0.777	69%	0.691	S	S	*	*				16.5	172.1	126.7	0	0	0	0	0	123.3
63	P	31.2	Very low	31.4	Very low	115 Å²	115	100.1 Å²	100.1	75%	0.747	68%	0.678	S	S	*	*			cis	-140.2	-177.5	-48	38.3	-18.7	0	0	0	115.4
64	V	26.3	Very low	31.5	Very low	137 Å²	137	101.6 Å²	101.6	83%	0.83	67%	0.674	S	S	*	*			trans	74.7	109.3	156.3	-165.1	0	0	0	0	120.8
65	A	27.8	Very low	31.5	Very low	86 Å²	86	100.1 Å²	100.1	71%	0.711	67%	0.668	S	S	*	*			trans	-164.7	107.3	138.7	0	0	0	0	0	111.6
66	T	25.6	Very low	31.6	Very low	142 Å²	142	101.7 Å²	101.7	87%	0.871	67%	0.67	S	S	*	*			trans	23.6	99.5	146.4	51.6	0	0	0	0	118.9
67	A	30.2	Very low	31.7	Very low	103 Å²	103	105.3 Å²	105.3	85%	0.851	68%	0.684	S	S	*	*			trans	-126.4	118.2	158.7	0	0	0	0	0	108.7
68	A	27.6	Very low	31.8	Very low	87 Å²	87	105.6 Å²	105.6	72%	0.719	68%	0.68	S	S	*	*			trans	-73.4	155.2	-179.5	0	0	0	0	0	112
69	N	32.3	Very low	32	Very low	114 Å²	114	105.5 Å²	105.5	61%	0.61	67%	0.671	S	S	*	*			trans	69.3	69.5	149.2	-65	-2.8	0	0	0	120.2	Y73	N69-Y73 HydrophobicContact CB-CD2 4.35Å; N69-Y73 HydrophobicContact CB-CE2 4.2Å
70	L	30.6	Very low	32.5	Very low	151 Å²	151	106.2 Å²	106.2	79%	0.791	66%	0.655	S	S	*	*	S	Bend	trans	-129.7	-35.8	150.1	-128.5	89.7	0	0	0	112.1	G72 T74	L70-G72 VanDerWaalsContact C-N 3.32Å; L70-G72 PolarHBondContact O-N 2.92Å; L70-T74 PolarHBondContact O-N 2.83Å; L70-T74 PolarHBondContact O-OG1 2.99Å
71	G	30.8	Very low	32.5	Very low	52 Å²	52	103 Å²	103	54%	0.536	63%	0.629	S	S	.	*	H	α-helix	trans	-70	-21.1	174.8	0	0	0	0	0	115.4	T74 S75	G71-T74 VanDerWaalsContact CA-OG1 3.29Å; G71-T74 WeakPolarHBondContact CA-OG1 3.2Å; G71-T74 PolarHBondContact O-OG1 3.28Å; G71-S75 PolarHBondContact O-N 3.14Å; G71-S75 PolarHBondContact O-OG 3.5Å
72	G	34.2	Very low	32.9	Very low	39 Å²	39	102.5 Å²	102.5	40%	0.402	61%	0.614	S	S	.	*	H	α-helix	trans	-78.8	-36.7	177	0	0	0	0	0	113.1	L70 S75 Q76	L70-G72 VanDerWaalsContact C-N 3.32Å; L70-G72 PolarHBondContact O-N 2.92Å; G72-S75 PolarHBondContact O-N 2.85Å; G72-Q76 PolarHBondContact O-N 3.41Å
73	Y	32.9	Very low	33.5	Very low	148 Å²	148	104.5 Å²	104.5	58%	0.58	61%	0.607	S	S	*	*	H	α-helix	trans	-70.2	-40.3	176.1	-82.4	-80.5	0	0	0	111.6	N69 S75 Q76 M77	N69-Y73 HydrophobicContact CB-CD2 4.35Å; N69-Y73 HydrophobicContact CB-CE2 4.2Å; Y73-S75 PolarHBondContact O-N 2.71Å; Y73-Q76 PolarHBondContact O-N 2.77Å; Y73-M77 WeakPolarHBondContact O-CB 3.48Å; Y73-M77 WeakPolarHBondContact O-CG 3.49Å; Y73-M77 PolarHBondContact O-N 3.48Å
74	T	33.1	Very low	33.8	Very low	92 Å²	92	102.9 Å²	102.9	56%	0.564	59%	0.592	S	S	*	*	H	α-helix	trans	-64.6	-36.2	172.5	31	0	0	0	0	112.7	L70 G71 Y78	L70-T74 PolarHBondContact O-N 2.83Å; L70-T74 PolarHBondContact O-OG1 2.99Å; G71-T74 VanDerWaalsContact CA-OG1 3.29Å; G71-T74 WeakPolarHBondContact CA-OG1 3.2Å; G71-T74 PolarHBondContact O-OG1 3.28Å; T74-Y78 VanDerWaalsContact O-CB 3.26Å; T74-Y78 WeakPolarHBondContact O-CB 3.07Å; T74-Y78 PolarHBondContact O-N 2.89Å
75	S	33.4	Very low	34.3	Very low	73 Å²	73	100.9 Å²	100.9	51%	0.51	58%	0.575	S	S	.	*	H	α-helix	trans	-75.6	-31.6	174.3	-79.9	0	0	0	0	114.4	G71 G72 Y73 L79	G71-S75 PolarHBondContact O-N 3.14Å; G71-S75 PolarHBondContact O-OG 3.5Å; G72-S75 PolarHBondContact O-N 2.85Å; Y73-S75 PolarHBondContact O-N 2.71Å; S75-L79 WeakPolarHBondContact O-CG 3.2Å; S75-L79 PolarHBondContact O-N 3.49Å
76	Q	36.2	Very low	34.9	Very low	120 Å²	120	100.5 Å²	100.5	56%	0.561	57%	0.572	S	S	*	*	H	α-helix	trans	-72.4	-39.4	171.9	-83.1	-176.7	-26	0	0	111.6	G72 Y73 Y78 L79 I80	G72-Q76 PolarHBondContact O-N 3.41Å; Y73-Q76 PolarHBondContact O-N 2.77Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-L79 PolarHBondContact O-N 2.66Å; Q76-I80 WeakPolarHBondContact O-CB 3.17Å; Q76-I80 VanDerWaalsContact O-CG1 3.25Å; Q76-I80 WeakPolarHBondContact O-CG1 3.08Å; Q76-I80 PolarHBondContact O-N 3.34Å
77	M	33.1	Very low	35.4	Very low	103 Å²	103	100.4 Å²	100.4	51%	0.507	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-38.5	170.5	-73.9	-177.2	76.9	0	0	111.4	Y73 L79 I80 E81	Y73-M77 WeakPolarHBondContact O-CB 3.48Å; Y73-M77 WeakPolarHBondContact O-CG 3.49Å; Y73-M77 PolarHBondContact O-N 3.48Å; M77-L79 PolarHBondContact O-N 3.33Å; M77-I80 PolarHBondContact O-N 2.66Å; M77-E81 WeakPolarHBondContact O-CA 3.41Å; M77-E81 WeakPolarHBondContact O-CB 3.12Å; M77-E81 PolarHBondContact O-N 3.26Å
78	Y	37.7	Very low	35.8	Very low	130 Å²	130	99.8 Å²	99.8	51%	0.51	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-33.6	173.2	-171.5	-99.4	0	0	0	113.7	T74 Q76 E81 Q82	T74-Y78 VanDerWaalsContact O-CB 3.26Å; T74-Y78 WeakPolarHBondContact O-CB 3.07Å; T74-Y78 PolarHBondContact O-N 2.89Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Y78-E81 WeakPolarHBondContact CA-OE2 3.39Å; Y78-E81 VanDerWaalsContact CD2-OE2 3.29Å; Y78-E81 WeakPolarHBondContact CD2-OE2 3Å; Y78-Q82 HydrophobicContact CE1-CG 4.34Å; Y78-Q82 WeakPolarHBondContact O-CG 3.4Å; Y78-Q82 PolarHBondContact O-N 2.84Å; Y78-Q82 PolarHBondContact OH-NE2 2.84Å
79	L	40.8	Very low	36.2	Very low	111 Å²	111	98.5 Å²	98.5	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-74.9	-39.8	175.6	-78.9	164.4	0	0	0	112	S75 Q76 M77 E81 Q82 E83	S75-L79 WeakPolarHBondContact O-CG 3.2Å; S75-L79 PolarHBondContact O-N 3.49Å; Q76-L79 PolarHBondContact O-N 2.66Å; M77-L79 PolarHBondContact O-N 3.33Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-E83 WeakPolarHBondContact O-CB 3.47Å; L79-E83 PolarHBondContact O-N 3.4Å
80	I	41	Very low	36.2	Very low	91 Å²	91	99.6 Å²	99.6	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-38.3	173.5	-67.4	165.8	0	0	0	110.2	Q76 M77 E83 I84	Q76-I80 WeakPolarHBondContact O-CB 3.17Å; Q76-I80 VanDerWaalsContact O-CG1 3.25Å; Q76-I80 WeakPolarHBondContact O-CG1 3.08Å; Q76-I80 PolarHBondContact O-N 3.34Å; M77-I80 PolarHBondContact O-N 2.66Å; I80-E83 PolarHBondContact O-N 3.37Å; I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.24Å; I80-I84 WeakPolarHBondContact O-CB 3.29Å; I80-I84 VanDerWaalsContact O-CG1 3.23Å; I80-I84 WeakPolarHBondContact O-CG1 3.25Å; I80-I84 PolarHBondContact O-N 3.39Å
81	E	34.9	Very low	36.6	Very low	61 Å²	61	97.7 Å²	97.7	29%	0.285	55%	0.548	S	S	.	.	H	α-helix	trans	-58.1	-47.3	171	177.8	-175.8	-168.2	0	0	110.9	F21 M77 Y78 L79 E83 I85	F21-E81 HydrophobicContact CZ-CG 4.22Å; M77-E81 WeakPolarHBondContact O-CA 3.41Å; M77-E81 WeakPolarHBondContact O-CB 3.12Å; M77-E81 PolarHBondContact O-N 3.26Å; Y78-E81 WeakPolarHBondContact CA-OE2 3.39Å; Y78-E81 VanDerWaalsContact CD2-OE2 3.29Å; Y78-E81 WeakPolarHBondContact CD2-OE2 3Å; L79-E81 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.18Å; E81-I85 HydrophobicContact CG-CD1 3.6Å; E81-I85 WeakPolarHBondContact O-CB 3.42Å; E81-I85 VanDerWaalsContact O-CD1 3.3Å; E81-I85 WeakPolarHBondContact O-CD1 3.1Å; E81-I85 WeakPolarHBondContact O-CG1 3.39Å; E81-I85 PolarHBondContact O-N 3.38Å
82	Q	42.7	Very low	36.6	Very low	103 Å²	103	102 Å²	102	48%	0.481	57%	0.565	S	S	.	*	H	α-helix	trans	-66.5	-34.8	174.7	-74.1	-155.5	2.5	0	0	113.7	Y78 L79 A86	Y78-Q82 HydrophobicContact CE1-CG 4.34Å; Y78-Q82 WeakPolarHBondContact O-CG 3.4Å; Y78-Q82 PolarHBondContact O-N 2.84Å; Y78-Q82 PolarHBondContact OH-NE2 2.84Å; L79-Q82 PolarHBondContact O-N 3.48Å; Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 2.8Å
83	E	41.4	Very low	36.4	Very low	136 Å²	136	109.5 Å²	109.5	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-74.6	-34.6	-179.2	-146.5	167.9	-157.9	0	0	112.1	L79 I80 E81 N87	L79-E83 WeakPolarHBondContact O-CB 3.47Å; L79-E83 PolarHBondContact O-N 3.4Å; I80-E83 PolarHBondContact O-N 3.37Å; E81-E83 PolarHBondContact O-N 3.18Å; E83-N87 PolarHBondContact O-N 3.5Å; E83-N87 PolarHBondContact O-ND2 2.68Å
84	I	36.7	Very low	36.2	Very low	82 Å²	82	111 Å²	111	42%	0.421	60%	0.598	S	S	.	*	H	α-helix	trans	-76.7	-41.4	174.8	-65.8	172.2	0	0	0	110.9	I80 A86 N87 V88	I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.24Å; I80-I84 WeakPolarHBondContact O-CB 3.29Å; I80-I84 VanDerWaalsContact O-CG1 3.23Å; I80-I84 WeakPolarHBondContact O-CG1 3.25Å; I80-I84 PolarHBondContact O-N 3.39Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 3.46Å; I84-N87 PolarHBondContact O-N 3.28Å; I84-V88 HydrophobicContact CG2-CG2 4.48Å; I84-V88 VanDerWaalsContact O-CG2 3.28Å; I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 3.07Å
85	I	37.8	Very low	35.9	Very low	95 Å²	95	113.9 Å²	113.9	49%	0.487	61%	0.611	S	S	.	*	H	α-helix	trans	-64.1	-37.5	174.6	-69.4	168.1	0	0	0	111.3	E81 N87 V88 A89	E81-I85 HydrophobicContact CG-CD1 3.6Å; E81-I85 WeakPolarHBondContact O-CB 3.42Å; E81-I85 VanDerWaalsContact O-CD1 3.3Å; E81-I85 WeakPolarHBondContact O-CD1 3.1Å; E81-I85 WeakPolarHBondContact O-CG1 3.39Å; E81-I85 PolarHBondContact O-N 3.38Å; I85-N87 VanDerWaalsContact C-N 3.29Å; I85-N87 PolarHBondContact O-N 3.17Å; I85-V88 PolarHBondContact O-N 3.48Å; I85-A89 VanDerWaalsContact O-CB 3.28Å; I85-A89 WeakPolarHBondContact O-CB 3.29Å; I85-A89 PolarHBondContact O-N 3.16Å; I85-A89 VanDerWaalsContact O-N 3.14Å
86	A	39.3	Very low	35.8	Very low	77 Å²	77	119.4 Å²	119.4	64%	0.636	63%	0.628	S	S	*	*	H	α-helix	trans	-67.9	-25.8	176.9	0	0	0	0	0	113.6	Q82 I84	Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 2.8Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 3.46Å
87	N	37.7	Very low	35.5	Very low	140 Å²	140	122.5 Å²	122.5	75%	0.749	64%	0.64	S	S	*	*	H	α-helix	trans	-91.5	-14.5	179.5	-73.8	-33.4	0	0	0	113.8	E83 I84 I85	E83-N87 PolarHBondContact O-N 3.5Å; E83-N87 PolarHBondContact O-ND2 2.68Å; I84-N87 PolarHBondContact O-N 3.28Å; I85-N87 VanDerWaalsContact C-N 3.29Å; I85-N87 PolarHBondContact O-N 3.17Å
88	V	36.9	Very low	35.6	Very low	91 Å²	91	123.7 Å²	123.7	55%	0.552	66%	0.655	S	S	*	*	H	α-helix	trans	-113.5	-17.1	-173.2	-178.9	0	0	0	0	113	L28 I84 I85 T90	L28-V88 HydrophobicContact CD1-CG1 4.05Å; L28-V88 HydrophobicContact CD1-CG2 4.07Å; I84-V88 HydrophobicContact CG2-CG2 4.48Å; I84-V88 VanDerWaalsContact O-CG2 3.28Å; I84-V88 WeakPolarHBondContact O-CG2 3.26Å; I84-V88 PolarHBondContact O-N 3.07Å; I85-V88 PolarHBondContact O-N 3.48Å; V88-T90 PolarHBondContact O-N 3.09Å
89	A	36.7	Very low	35.4	Very low	59 Å²	59	121.3 Å²	121.3	49%	0.488	66%	0.662	S	S	.	*	S	Bend	trans	-90.4	105.5	-177.7	0	0	0	0	0	114.6	I85	I85-A89 VanDerWaalsContact O-CB 3.28Å; I85-A89 WeakPolarHBondContact O-CB 3.29Å; I85-A89 PolarHBondContact O-N 3.16Å; I85-A89 VanDerWaalsContact O-N 3.14Å
90	T	32	Very low	35.3	Very low	137 Å²	137	121.2 Å²	121.2	84%	0.84	66%	0.659	S	S	*	*			trans	83.7	145.3	149.2	47.4	0	0	0	0	121.7	V88	V88-T90 PolarHBondContact O-N 3.09Å
91	P	40.5	Very low	35.2	Very low	111 Å²	111	123.4 Å²	123.4	72%	0.721	67%	0.671	S	S	*	*			trans	-126.4	149	-131.3	39	-23.6	0	0	0	114.2
92	T	29.8	Very low	35.7	Very low	144 Å²	144	127.5 Å²	127.5	88%	0.883	70%	0.695	S	S	*	*			trans	-169	137.2	160.6	29.3	0	0	0	0	112.5
93	K	28.9	Very low	35.6	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	69%	0.692	S	S	*	*	S	Bend	trans	6.7	126.7	154.5	-67.5	177.2	174.9	179.8	0	118.6
94	E	28.8	Very low	35.5	Very low	179 Å²	179	127.3 Å²	127.3	84%	0.836	70%	0.698	S	S	*	*	S	Bend	trans	57.1	131.1	155.8	-67.2	178.2	161.9	0	0	116.1
95	D	28.7	Very low	35.9	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	71%	0.707	S	S	*	*			trans	75.6	97.2	172.4	-55.9	-32.5	0	0	0	117.4
96	E	30.9	Very low	36.5	Very low	188 Å²	188	126.1 Å²	126.1	88%	0.879	70%	0.697	S	S	*	*				168.7	125.1	106.2	-88.8	-178.4	169.7	0	0	109.8
97	K	29.9	Very low	37.2	Very low	186 Å²	186	129.6 Å²	129.6	81%	0.809	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.6	134.7	176.8	-76.3	173.8	173.7	177.4	0	110	A99	K97-A99 PolarHBondContact O-N 3.13Å
98	P	34.1	Very low	38.1	Very low	128 Å²	128	128.1 Å²	128.1	83%	0.831	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.3	162.4	-11.9	25.5	0	0	0	107.9	E100	P98-E100 PolarHBondContact O-N 2.71Å
99	A	34.7	Very low	39	Very low	79 Å²	79	126.6 Å²	126.6	65%	0.653	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60	122	-171.3	0	0	0	0	0	111.3	K97 N101	K97-A99 PolarHBondContact O-N 3.13Å; A99-N101 PolarHBondContact O-N 3.22Å
100	E	38.8	Very low	40.2	Very low	110 Å²	110	129.3 Å²	129.3	51%	0.514	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.8	15.6	173	-114	176.4	164.8	0	0	114.7	P98 K111	P98-E100 PolarHBondContact O-N 2.71Å; E100-K111 IonicContact OE1-NZ 2.84Å; E100-K111 IonicContact OE2-NZ 2.89Å; E100-K111 PolarHBondContact OE2-NZ 2.86Å
101	N	38.7	Very low	41.9	Very low	136 Å²	136	128.7 Å²	128.7	73%	0.727	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-8.7	-162	-94	-3.3	0	0	0	116.7	A99	A99-N101 PolarHBondContact O-N 3.22Å
102	D	45.1	Very low	43.1	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	65%	0.65	S	S	*	*	S	Bend	trans	-109.8	-2.4	-177	-74.4	-37	0	0	0	116.1	K104	D102-K104 PolarHBondContact O-N 3.46Å; D102-K104 VanDerWaalsContact O-N 3.13Å
103	C	39.4	Very low	45	Very low	61 Å²	61	121.7 Å²	121.7	41%	0.412	63%	0.628	S	S	.	*	S	Bend	trans	-85.8	78.5	164.4	-74.2	0	0	0	0	109.8	T105	C103-T105 PolarHBondContact O-N 3.15Å
104	K	41	Very low	47.1	Very low	173 Å²	173	115.6 Å²	115.6	75%	0.752	61%	0.614	S	S	*	*			trans	-56.1	95.4	179.2	-81.4	177	-178.6	162.4	0	112.1	D102 L106	D102-K104 PolarHBondContact O-N 3.46Å; D102-K104 VanDerWaalsContact O-N 3.13Å; K104-L106 PolarHBondContact O-N 3.3Å
105	T	44.5	Very low	49.3	Very low	101 Å²	101	108 Å²	108	62%	0.62	58%	0.578	S	S	*	*			trans	32.6	76.9	151.3	58.4	0	0	0	0	116.2	C103	C103-T105 PolarHBondContact O-N 3.15Å
106	L	50.5	Low	51.6	Low	51 Å²	51	103.4 Å²	103.4	27%	0.267	56%	0.558	S	S	.	*	S	Bend	trans	-79.5	124.7	160.1	-73.3	116.6	0	0	0	110	K104 D108 W115 L234	K104-L106 PolarHBondContact O-N 3.3Å; L106-D108 PolarHBondContact O-N 3.38Å; L106-W115 HydrophobicContact CB-CH2 4.34Å; L106-W115 VanDerWaalsContact O-CZ2 3.25Å; L106-W115 WeakPolarHBondContact O-CZ2 3.49Å; L106-L234 HydrophobicContact CD1-CD1 3.64Å; L106-L234 HydrophobicContact CD1-CD2 3.37Å; L106-L234 HydrophobicContact CD1-CG 4.07Å; L106-L234 HydrophobicContact CD2-CD2 4.03Å; L106-L234 HydrophobicContact CG-CD2 4.26Å
107	R	53.8	Low	53.6	Low	151 Å²	151	95 Å²	95	57%	0.57	52%	0.519	S	S	*	.	S	Bend	trans	74.6	-47.1	175.8	-65.7	-172.2	178.5	-169.6	2.3	119.9	E122 E126	R107-E122 IonicContact NH1-OE2 2.86Å; R107-E126 IonicContact CZ-OE2 3.63Å; R107-E126 IonicContact NE-OE2 3.5Å; R107-E126 IonicContact NH2-OE2 2.68Å; R107-E126 PolarHBondContact NH2-OE2 3.12Å
108	D	56.2	Low	55.9	Low	108 Å²	108	88 Å²	88	58%	0.578	49%	0.491	S	S	*	.	S	Bend	trans	-143.8	0.7	-164	-91	3.1	0	0	0	118.4	L106 K110	L106-D108 PolarHBondContact O-N 3.38Å; D108-K110 HydrophobicContact CB-CB 4.49Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.14Å; D108-K110 PolarHBondContact O-N 3.2Å; D108-K110 VanDerWaalsContact O-N 3.17Å; D108-K110 IonicContact OD2-NZ 3.54Å; D108-K110 PolarHBondContact OD2-NZ 3.39Å
109	G	57	Low	58	Low	60 Å²	60	84 Å²	84	62%	0.619	46%	0.464	S	S	*	.	S	Bend	trans	68.7	7.7	-172.7	0	0	0	0	0	114.8
110	K	61.9	Low	60	Low	116 Å²	116	80.2 Å²	80.2	50%	0.504	43%	0.433	S	S	.	.			trans	-86.3	142.2	174.2	-67.6	172.4	-171.8	150.5	0	110.4	D108 A114 W115	D108-K110 HydrophobicContact CB-CB 4.49Å; D108-K110 HydrophobicContact CB-CD 4.1Å; D108-K110 HydrophobicContact CB-CG 4.14Å; D108-K110 PolarHBondContact O-N 3.2Å; D108-K110 VanDerWaalsContact O-N 3.17Å; D108-K110 IonicContact OD2-NZ 3.54Å; D108-K110 PolarHBondContact OD2-NZ 3.39Å; K110-A114 HydrophobicContact CB-CB 4.45Å; K110-W115 PolarHBondContact O-NE1 3.49Å
111	K	66.4	Low	61.7	Low	124 Å²	124	75 Å²	75	54%	0.539	41%	0.409	S	S	.	.			trans	-58.2	145.7	169.2	-63.3	-171.5	172.1	-156.4	0	110.3	E100 T113 A114 W115	E100-K111 IonicContact OE1-NZ 2.84Å; E100-K111 IonicContact OE2-NZ 2.89Å; E100-K111 PolarHBondContact OE2-NZ 2.86Å; K111-T113 WeakPolarHBondContact CB-OG1 3.48Å; K111-T113 PolarHBondContact O-N 3.32Å; K111-T113 VanDerWaalsContact O-N 3.15Å; K111-A114 WeakPolarHBondContact O-CA 3.42Å; K111-A114 WeakPolarHBondContact O-CB 3.2Å; K111-A114 PolarHBondContact O-N 3.47Å; K111-W115 VanDerWaalsContact O-CD1 3.26Å
112	I	66.9	Low	63.7	Low	39 Å²	39	71.2 Å²	71.2	20%	0.2	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-54.6	-35.9	177.4	-54.3	177.7	0	0	0	110.7	A114 W115 C237 L238 E241 R245	I112-A114 PolarHBondContact O-N 3.12Å; I112-A114 VanDerWaalsContact O-N 3.09Å; I112-W115 WeakPolarHBondContact O-CB 3.16Å; I112-W115 PolarHBondContact O-N 3.13Å; I112-W115 VanDerWaalsContact O-N 3.09Å; I112-C237 HydrophobicContact CD1-CB 4.16Å; I112-L238 HydrophobicContact CG2-CD2 3.76Å; I112-E241 HydrophobicContact CG2-CB 4.1Å; I112-E241 HydrophobicContact CG2-CG 3.91Å; I112-R245 PolarHBondContact O-NH2 2.99Å
113	T	68.9	Low	65.4	Low	68 Å²	68	64.3 Å²	64.3	42%	0.417	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-59.8	-17.6	174.7	51.8	0	0	0	0	114.9	K111 R245	K111-T113 WeakPolarHBondContact CB-OG1 3.48Å; K111-T113 PolarHBondContact O-N 3.32Å; K111-T113 VanDerWaalsContact O-N 3.15Å; T113-R245 VanDerWaalsContact C-NH2 3.32Å; T113-R245 PolarHBondContact O-NH2 2.85Å; T113-R245 VanDerWaalsContact O-NH2 3.14Å
114	A	72.1	Confident	67.1	Low	67 Å²	67	61.4 Å²	61.4	55%	0.554	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-100.4	-3	178.6	0	0	0	0	0	113.9	K110 K111 I112	K110-A114 HydrophobicContact CB-CB 4.45Å; K111-A114 WeakPolarHBondContact O-CA 3.42Å; K111-A114 WeakPolarHBondContact O-CB 3.2Å; K111-A114 PolarHBondContact O-N 3.47Å; I112-A114 PolarHBondContact O-N 3.12Å; I112-A114 VanDerWaalsContact O-N 3.09Å
115	W	76.7	Confident	68.8	Low	21 Å²	21	54 Å²	54	8%	0.08	30%	0.3	C	S	.	.	S	Bend	trans	-73.7	148.4	177.9	-67	12.2	0	0	0	110.6	L106 K110 K111 I112 T119 I120 V123 L238 R245	L106-W115 HydrophobicContact CB-CH2 4.34Å; L106-W115 VanDerWaalsContact O-CZ2 3.25Å; L106-W115 WeakPolarHBondContact O-CZ2 3.49Å; K110-W115 PolarHBondContact O-NE1 3.49Å; K111-W115 VanDerWaalsContact O-CD1 3.26Å; I112-W115 WeakPolarHBondContact O-CB 3.16Å; I112-W115 PolarHBondContact O-N 3.13Å; I112-W115 VanDerWaalsContact O-N 3.09Å; W115-T119 HydrophobicContact CB-CG2 4.16Å; W115-T119 HydrophobicContact CD2-CG2 3.95Å; W115-T119 HydrophobicContact CE3-CG2 3.9Å; W115-T119 HydrophobicContact CG-CG2 4.1Å; W115-I120 HydrophobicContact CB-CD1 4.38Å; W115-I120 HydrophobicContact CB-CG1 3.87Å; W115-I120 HydrophobicContact CE3-CG1 4.16Å; W115-V123 HydrophobicContact CE3-CG2 4.32Å; W115-V123 HydrophobicContact CH2-CG1 4.34Å; W115-V123 HydrophobicContact CH2-CG2 4.06Å; W115-V123 HydrophobicContact CZ3-CB 3.83Å; W115-V123 HydrophobicContact CZ3-CG1 4.04Å; W115-V123 HydrophobicContact CZ3-CG2 3.55Å; W115-L238 HydrophobicContact CE3-CD2 3.91Å; W115-L238 HydrophobicContact CH2-CD2 4.42Å; W115-L238 HydrophobicContact CZ3-CD1 4.48Å; W115-L238 HydrophobicContact CZ3-CD2 3.54Å; W115-R245 PolarHBondContact O-NH1 3.28Å; W115-R245 PolarHBondContact O-NH2 3.33Å
116	S	77.1	Confident	70.5	Confident	57 Å²	57	51 Å²	51	40%	0.399	28%	0.279	S	S	.	.			trans	-72.9	162.6	170.2	71.7	0	0	0	0	110.2	V118 T119 I120	S116-V118 PolarHBondContact O-N 3.21Å; S116-T119 PolarHBondContact O-N 3Å; S116-T119 VanDerWaalsContact O-N 3.17Å; S116-T119 PolarHBondContact OG-N 3.31Å; S116-T119 PolarHBondContact OG-OG1 3.31Å; S116-I120 WeakPolarHBondContact O-CG1 3.4Å; S116-I120 PolarHBondContact O-N 3.36Å
117	D	71.9	Confident	71.7	Confident	12 Å²	12	48.6 Å²	48.6	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-38.2	175.2	-61.8	-14	0	0	0	110.7	T119 I120 I121 R245 R249 R302	D117-T119 PolarHBondContact O-N 3.24Å; D117-I120 PolarHBondContact O-N 2.93Å; D117-I121 WeakPolarHBondContact O-CB 3.21Å; D117-I121 WeakPolarHBondContact O-CD1 3.31Å; D117-I121 WeakPolarHBondContact O-CG1 3.46Å; D117-I121 PolarHBondContact O-N 3.08Å; D117-R245 IonicContact OD1-NH1 2.89Å; D117-R245 PolarHBondContact OD1-NH1 3.43Å; D117-R249 IonicContact OD1-NH2 3.48Å; D117-R249 PolarHBondContact OD1-NH2 3.26Å; D117-R249 IonicContact OD2-CZ 3.32Å; D117-R249 IonicContact OD2-NH1 3.26Å; D117-R249 PolarHBondContact OD2-NH1 3.21Å; D117-R249 IonicContact OD2-NH2 3.16Å; D117-R249 PolarHBondContact OD2-NH2 2.77Å; D117-R302 IonicContact OD2-NH1 3.78Å
118	V	77.5	Confident	72.5	Confident	38 Å²	38	41.5 Å²	41.5	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-55.8	-48.4	172.9	179.1	0	0	0	0	111.4	S116 I120 I121 E122 E260 K263	S116-V118 PolarHBondContact O-N 3.21Å; V118-I120 PolarHBondContact O-N 3.42Å; V118-I121 PolarHBondContact O-N 3.29Å; V118-E122 WeakPolarHBondContact O-CG 3.4Å; V118-E122 PolarHBondContact O-N 3.18Å; V118-E260 HydrophobicContact CG2-CB 3.87Å; V118-E260 HydrophobicContact CG2-CG 3.75Å; V118-K263 HydrophobicContact CG1-CG 4.12Å
119	T	79	Confident	73.3	Confident	43 Å²	43	41.7 Å²	41.7	26%	0.264	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-39.7	179.2	-56.2	0	0	0	0	111.7	W115 S116 D117 E122 V123	W115-T119 HydrophobicContact CB-CG2 4.16Å; W115-T119 HydrophobicContact CD2-CG2 3.95Å; W115-T119 HydrophobicContact CE3-CG2 3.9Å; W115-T119 HydrophobicContact CG-CG2 4.1Å; S116-T119 PolarHBondContact O-N 3Å; S116-T119 VanDerWaalsContact O-N 3.17Å; S116-T119 PolarHBondContact OG-N 3.31Å; S116-T119 PolarHBondContact OG-OG1 3.31Å; D117-T119 PolarHBondContact O-N 3.24Å; T119-E122 PolarHBondContact O-N 3.49Å; T119-V123 WeakPolarHBondContact O-CG2 3.47Å; T119-V123 PolarHBondContact O-N 3.02Å
120	I	76.1	Confident	74.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-45	176.1	-68	173.6	0	0	0	110.6	W115 S116 D117 V118 E122 V123 L124 L238 E241 Y242	W115-I120 HydrophobicContact CB-CD1 4.38Å; W115-I120 HydrophobicContact CB-CG1 3.87Å; W115-I120 HydrophobicContact CE3-CG1 4.16Å; S116-I120 WeakPolarHBondContact O-CG1 3.4Å; S116-I120 PolarHBondContact O-N 3.36Å; D117-I120 PolarHBondContact O-N 2.93Å; V118-I120 PolarHBondContact O-N 3.42Å; I120-E122 PolarHBondContact O-N 3.1Å; I120-V123 PolarHBondContact O-N 2.78Å; I120-L124 HydrophobicContact CG2-CD1 3.79Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CB 3.41Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.38Å; I120-L124 PolarHBondContact O-N 3.19Å; I120-L238 HydrophobicContact CG2-CD2 4.45Å; I120-E241 HydrophobicContact CD1-CG 4.22Å; I120-Y242 HydrophobicContact CB-CD2 4.38Å; I120-Y242 HydrophobicContact CG2-CD2 3.75Å; I120-Y242 HydrophobicContact CG2-CG 4.19Å
121	I	75.2	Confident	74.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-46	177.7	-69.3	163	0	0	0	110.4	D117 V118 V123 L124 T125 Y242 K263 L264 L267	D117-I121 WeakPolarHBondContact O-CB 3.21Å; D117-I121 WeakPolarHBondContact O-CD1 3.31Å; D117-I121 WeakPolarHBondContact O-CG1 3.46Å; D117-I121 PolarHBondContact O-N 3.08Å; V118-I121 PolarHBondContact O-N 3.29Å; I121-V123 PolarHBondContact O-N 2.62Å; I121-L124 PolarHBondContact O-N 3.24Å; I121-T125 PolarHBondContact O-N 3.47Å; I121-T125 PolarHBondContact O-OG1 2.83Å; I121-Y242 HydrophobicContact CD1-CE2 4.05Å; I121-Y242 HydrophobicContact CG1-CD2 4.48Å; I121-Y242 HydrophobicContact CG1-CE2 3.77Å; I121-K263 VanDerWaalsContact CG2-C 3.43Å; I121-K263 HydrophobicContact CG2-CB 3.75Å; I121-K263 WeakPolarHBondContact CG2-O 3.14Å; I121-L264 HydrophobicContact CD1-CD2 3.85Å; I121-L264 HydrophobicContact CD1-CG 3.87Å; I121-L264 HydrophobicContact CG1-CD2 4.49Å; I121-L267 HydrophobicContact CB-CD2 4.36Å; I121-L267 HydrophobicContact CG1-CD2 4.14Å; I121-L267 HydrophobicContact CG2-CB 3.73Å; I121-L267 HydrophobicContact CG2-CD2 3.92Å; I121-L267 HydrophobicContact CG2-CG 4.41Å
122	E	80.5	Confident	74.4	Confident	58 Å²	58	34.1 Å²	34.1	27%	0.271	19%	0.185	S	C	.	.	H	α-helix	trans	-59.6	-45.7	177.3	-76.7	176.4	171.5	0	0	113.2	R107 V118 T119 I120 T125 E126 K263	R107-E122 IonicContact NH1-OE2 2.86Å; V118-E122 WeakPolarHBondContact O-CG 3.4Å; V118-E122 PolarHBondContact O-N 3.18Å; T119-E122 PolarHBondContact O-N 3.49Å; I120-E122 PolarHBondContact O-N 3.1Å; E122-T125 PolarHBondContact O-N 3.44Å; E122-E126 PolarHBondContact O-N 3Å; E122-K263 HydrophobicContact CG-CD 3.78Å; E122-K263 HydrophobicContact CG-CG 4.3Å; E122-K263 WeakPolarHBondContact OE1-CE 3.4Å
123	V	80.4	Confident	74.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-73.3	-33.7	-179.3	-174.8	0	0	0	0	111.1	W115 T119 I120 I121 T125 E126 C127 L234 L238	W115-V123 HydrophobicContact CE3-CG2 4.32Å; W115-V123 HydrophobicContact CH2-CG1 4.34Å; W115-V123 HydrophobicContact CH2-CG2 4.06Å; W115-V123 HydrophobicContact CZ3-CB 3.83Å; W115-V123 HydrophobicContact CZ3-CG1 4.04Å; W115-V123 HydrophobicContact CZ3-CG2 3.55Å; T119-V123 WeakPolarHBondContact O-CG2 3.47Å; T119-V123 PolarHBondContact O-N 3.02Å; I120-V123 PolarHBondContact O-N 2.78Å; I121-V123 PolarHBondContact O-N 2.62Å; V123-T125 VanDerWaalsContact C-N 3.35Å; V123-E126 PolarHBondContact O-N 2.75Å; V123-C127 PolarHBondContact O-N 3.26Å; V123-C127 PolarHBondContact O-SG 3.43Å; V123-L234 HydrophobicContact CG1-CD2 4.21Å; V123-L238 HydrophobicContact CB-CD1 3.82Å; V123-L238 HydrophobicContact CG1-CD1 3.4Å; V123-L238 VanDerWaalsContact CG1-CD1 3.4Å
124	L	75.9	Confident	74.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-45.6	171.1	-79.9	169.9	0	0	0	111.5	I120 I121 E126 C127 I128 F235 L238 V239 Y242 L267 L291	I120-L124 HydrophobicContact CG2-CD1 3.79Å; I120-L124 HydrophobicContact CG2-CG 4.31Å; I120-L124 WeakPolarHBondContact O-CB 3.41Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.38Å; I120-L124 PolarHBondContact O-N 3.19Å; I121-L124 PolarHBondContact O-N 3.24Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.48Å; L124-C127 PolarHBondContact O-N 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 2.94Å; L124-F235 HydrophobicContact CD2-CD2 4.38Å; L124-F235 HydrophobicContact CD2-CE2 4.44Å; L124-L238 HydrophobicContact CD2-CB 3.48Å; L124-L238 VanDerWaalsContact CD2-CB 3.48Å; L124-L238 HydrophobicContact CD2-CD1 4.42Å; L124-L238 HydrophobicContact CG-CB 3.83Å; L124-L238 HydrophobicContact CG-CD1 4.44Å; L124-V239 HydrophobicContact CD2-CG2 3.64Å; L124-Y242 HydrophobicContact CD1-CG 4.41Å; L124-L267 HydrophobicContact CB-CD1 3.76Å; L124-L267 HydrophobicContact CD1-CD2 4.38Å; L124-L291 HydrophobicContact CD2-CD1 4.37Å
125	T	76.1	Confident	74.2	Confident	17 Å²	17	32.5 Å²	32.5	10%	0.104	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-45.2	174.4	-59.2	0	0	0	0	111.3	I121 E122 V123 C127 I128 E129 L267 A270	I121-T125 PolarHBondContact O-N 3.47Å; I121-T125 PolarHBondContact O-OG1 2.83Å; E122-T125 PolarHBondContact O-N 3.44Å; V123-T125 VanDerWaalsContact C-N 3.35Å; T125-C127 PolarHBondContact O-N 3.23Å; T125-I128 WeakPolarHBondContact O-CB 3.44Å; T125-I128 PolarHBondContact O-N 3.31Å; T125-E129 PolarHBondContact O-N 3.3Å; T125-E129 VanDerWaalsContact O-N 3.09Å; T125-L267 WeakPolarHBondContact OG1-CA 3.44Å; T125-A270 HydrophobicContact CG2-CB 3.88Å
126	E	80.4	Confident	73.7	Confident	38 Å²	38	34.6 Å²	34.6	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-40.5	177.2	-173	178.9	161.3	0	0	112.5	R107 E122 V123 L124 I128 E129 R130	R107-E126 IonicContact CZ-OE2 3.63Å; R107-E126 IonicContact NE-OE2 3.5Å; R107-E126 IonicContact NH2-OE2 2.68Å; R107-E126 PolarHBondContact NH2-OE2 3.12Å; E122-E126 PolarHBondContact O-N 3Å; V123-E126 PolarHBondContact O-N 2.75Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.48Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 3.49Å; E126-E129 PolarHBondContact O-N 3.19Å; E126-R130 WeakPolarHBondContact O-CG 3.41Å; E126-R130 PolarHBondContact O-N 3.17Å; E126-R130 VanDerWaalsContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 2.74Å; E126-R130 VanDerWaalsContact OE1-CZ 3.31Å; E126-R130 IonicContact OE1-NE 3.92Å; E126-R130 IonicContact OE1-NH1 2.87Å; E126-R130 IonicContact OE1-NH2 3.9Å; E126-R130 PolarHBondContact OE1-NH2 3.36Å
127	C	74.8	Confident	73.3	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.6	176.4	-65.6	0	0	0	0	111.7	V123 L124 T125 R130 L131 L234 F235	V123-C127 PolarHBondContact O-N 3.26Å; V123-C127 PolarHBondContact O-SG 3.43Å; L124-C127 PolarHBondContact O-N 3.47Å; T125-C127 PolarHBondContact O-N 3.23Å; C127-R130 PolarHBondContact O-N 3.47Å; C127-L131 WeakPolarHBondContact O-CB 3.47Å; C127-L131 VanDerWaalsContact O-CG 3.31Å; C127-L131 WeakPolarHBondContact O-CG 3.42Å; C127-L131 PolarHBondContact O-N 3.44Å; C127-L234 WeakPolarHBondContact SG-CD2 3.06Å; C127-F235 HydrophobicContact CB-CB 4.06Å; C127-F235 HydrophobicContact CB-CD2 3.96Å
128	I	71.4	Confident	73	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-43.6	178	-71.8	165.9	0	0	0	111	L124 T125 E126 L131 K132 F235 L267 A270 A271 C274 L291	L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 2.94Å; T125-I128 WeakPolarHBondContact O-CB 3.44Å; T125-I128 PolarHBondContact O-N 3.31Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 3.49Å; I128-L131 PolarHBondContact O-N 3.16Å; I128-K132 WeakPolarHBondContact O-CG 3.35Å; I128-K132 PolarHBondContact O-N 3.16Å; I128-K132 VanDerWaalsContact O-N 3.16Å; I128-F235 HydrophobicContact CD1-CE2 4.24Å; I128-F235 HydrophobicContact CG1-CD2 4.2Å; I128-F235 HydrophobicContact CG1-CE2 3.7Å; I128-L267 HydrophobicContact CD1-CD1 3.86Å; I128-A270 HydrophobicContact CB-CB 4.46Å; I128-A270 HydrophobicContact CD1-CB 4.29Å; I128-A270 HydrophobicContact CG2-CB 4.01Å; I128-A270 WeakPolarHBondContact CG2-O 3.11Å; I128-A271 HydrophobicContact CD1-CB 4.36Å; I128-C274 WeakPolarHBondContact CG2-SG 2.95Å; I128-L291 HydrophobicContact CD1-CD2 3.57Å; I128-L291 HydrophobicContact CG1-CD2 4.42Å
129	E	73.8	Confident	72.3	Confident	112 Å²	112	38.2 Å²	38.2	52%	0.523	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-44.6	177.2	-71.3	-178.8	164.6	0	0	111.8	T125 E126 K132 E133	T125-E129 PolarHBondContact O-N 3.3Å; T125-E129 VanDerWaalsContact O-N 3.09Å; E126-E129 PolarHBondContact O-N 3.19Å; E129-K132 WeakPolarHBondContact O-CB 3.31Å; E129-K132 PolarHBondContact O-N 3.41Å; E129-E133 PolarHBondContact O-N 3.43Å
130	R	74.2	Confident	71.7	Confident	79 Å²	79	42.6 Å²	42.6	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-39.7	177	-72.6	-175.1	-178.5	162.4	5.9	113.7	E126 C127 K132 E133 N134 N231	E126-R130 WeakPolarHBondContact O-CG 3.41Å; E126-R130 PolarHBondContact O-N 3.17Å; E126-R130 VanDerWaalsContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 2.74Å; E126-R130 VanDerWaalsContact OE1-CZ 3.31Å; E126-R130 IonicContact OE1-NE 3.92Å; E126-R130 IonicContact OE1-NH1 2.87Å; E126-R130 IonicContact OE1-NH2 3.9Å; E126-R130 PolarHBondContact OE1-NH2 3.36Å; C127-R130 PolarHBondContact O-N 3.47Å; R130-K132 PolarHBondContact O-N 2.81Å; R130-E133 WeakPolarHBondContact O-CB 3.29Å; R130-E133 PolarHBondContact O-N 3.07Å; R130-E133 VanDerWaalsContact O-N 3.17Å; R130-N134 PolarHBondContact O-N 3.47Å; R130-N134 PolarHBondContact O-ND2 3.34Å; R130-N231 WeakPolarHBondContact CD-OD1 3.38Å
131	L	67.5	Low	71.1	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-36	175	-73.3	169.9	0	0	0	111.3	C127 I128 N134 V135 F228 N231 F232 F235 L279	C127-L131 WeakPolarHBondContact O-CB 3.47Å; C127-L131 VanDerWaalsContact O-CG 3.31Å; C127-L131 WeakPolarHBondContact O-CG 3.42Å; C127-L131 PolarHBondContact O-N 3.44Å; I128-L131 PolarHBondContact O-N 3.16Å; L131-N134 PolarHBondContact O-N 3.46Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.36Å; L131-V135 PolarHBondContact O-N 2.81Å; L131-V135 VanDerWaalsContact O-N 3.12Å; L131-F228 HydrophobicContact CD2-CD2 4.21Å; L131-F228 HydrophobicContact CD2-CE2 4.11Å; L131-N231 HydrophobicContact CD2-CB 4.23Å; L131-N231 HydrophobicContact CG-CB 4.49Å; L131-F232 HydrophobicContact CD2-CB 4.43Å; L131-F235 HydrophobicContact CD1-CB 4.34Å; L131-F235 HydrophobicContact CD1-CD2 4.2Å; L131-F235 HydrophobicContact CD1-CG 4.22Å; L131-L279 HydrophobicContact CB-CD2 4.27Å
132	K	67	Low	70.5	Confident	52 Å²	52	45.3 Å²	45.3	23%	0.226	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-40.9	173.2	-69.3	173.4	-172.6	176.4	0	112.4	I128 E129 R130 V135 S136 A270 A273 V278	I128-K132 WeakPolarHBondContact O-CG 3.35Å; I128-K132 PolarHBondContact O-N 3.16Å; I128-K132 VanDerWaalsContact O-N 3.16Å; E129-K132 WeakPolarHBondContact O-CB 3.31Å; E129-K132 PolarHBondContact O-N 3.41Å; R130-K132 PolarHBondContact O-N 2.81Å; K132-V135 PolarHBondContact O-N 3.24Å; K132-S136 PolarHBondContact O-N 3.17Å; K132-A270 PolarHBondContact NZ-O 3.03Å; K132-A273 WeakPolarHBondContact CE-O 3.44Å; K132-A273 PolarHBondContact NZ-O 3.42Å; K132-A273 VanDerWaalsContact NZ-O 3.12Å; K132-V278 HydrophobicContact CG-CG1 4.39Å
133	E	72.4	Confident	69.8	Low	126 Å²	126	49.7 Å²	49.7	59%	0.589	24%	0.237	S	C	*	.	H	α-helix	trans	-59.5	-46.1	173.8	-69.8	178.6	167.8	0	0	110.9	E129 R130 V135 S136 V137	E129-E133 PolarHBondContact O-N 3.43Å; R130-E133 WeakPolarHBondContact O-CB 3.29Å; R130-E133 PolarHBondContact O-N 3.07Å; R130-E133 VanDerWaalsContact O-N 3.17Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 3.45Å; E133-S136 WeakPolarHBondContact O-CB 3.37Å; E133-S136 PolarHBondContact O-N 3.15Å; E133-S136 PolarHBondContact O-OG 3.15Å; E133-V137 PolarHBondContact O-N 2.9Å; E133-V137 VanDerWaalsContact O-N 3.13Å
134	N	67.5	Low	69	Low	9 Å²	9	52.6 Å²	52.6	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-37.7	178.5	-77.9	-32.3	0	0	0	113.3	R130 L131 S136 V137 F138 F224 D227 F228	R130-N134 PolarHBondContact O-N 3.47Å; R130-N134 PolarHBondContact O-ND2 3.34Å; L131-N134 PolarHBondContact O-N 3.46Å; N134-S136 VanDerWaalsContact C-N 3.29Å; N134-S136 PolarHBondContact O-N 2.84Å; N134-V137 WeakPolarHBondContact O-CB 3.33Å; N134-V137 PolarHBondContact O-N 2.87Å; N134-F138 PolarHBondContact O-N 3.31Å; N134-F224 HydrophobicContact CB-CD2 4.4Å; N134-F224 HydrophobicContact CB-CE2 4.11Å; N134-F224 WeakPolarHBondContact O-CE2 3.47Å; N134-D227 PolarHBondContact ND2-OD2 3.12Å; N134-D227 PolarHBondContact OD1-OD2 3.38Å; N134-F228 HydrophobicContact CB-CD2 4.05Å
135	V	63.8	Low	68.4	Low	4 Å²	4	53.9 Å²	53.9	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-38.8	173.7	169.9	0	0	0	0	111.7	L131 K132 E133 V137 F138 K139 V278	L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.36Å; L131-V135 PolarHBondContact O-N 2.81Å; L131-V135 VanDerWaalsContact O-N 3.12Å; K132-V135 PolarHBondContact O-N 3.24Å; E133-V135 VanDerWaalsContact C-N 3.33Å; E133-V135 PolarHBondContact O-N 3.45Å; V135-V137 VanDerWaalsContact C-N 3.3Å; V135-V137 PolarHBondContact O-N 3.15Å; V135-F138 WeakPolarHBondContact O-CB 3.48Å; V135-F138 PolarHBondContact O-N 2.91Å; V135-K139 PolarHBondContact O-N 3.18Å; V135-V278 HydrophobicContact CB-CG1 3.8Å; V135-V278 WeakPolarHBondContact CB-O 3.34Å; V135-V278 HydrophobicContact CG1-CB 4.3Å; V135-V278 HydrophobicContact CG1-CG1 3.59Å; V135-V278 WeakPolarHBondContact CG1-O 2.97Å; V135-V278 HydrophobicContact CG2-CG1 3.99Å; V135-V278 WeakPolarHBondContact CG2-O 3.25Å
136	S	65.8	Low	67.6	Low	65 Å²	65	54.1 Å²	54.1	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.8	77.1	0	0	0	0	111.6	K132 E133 N134 K139 E140	K132-S136 PolarHBondContact O-N 3.17Å; E133-S136 WeakPolarHBondContact O-CB 3.37Å; E133-S136 PolarHBondContact O-N 3.15Å; E133-S136 PolarHBondContact O-OG 3.15Å; N134-S136 VanDerWaalsContact C-N 3.29Å; N134-S136 PolarHBondContact O-N 2.84Å; S136-K139 PolarHBondContact O-N 2.56Å; S136-E140 PolarHBondContact O-N 2.78Å; S136-E140 VanDerWaalsContact O-N 3.1Å
137	V	68.4	Low	66.8	Low	52 Å²	52	56.6 Å²	56.6	32%	0.315	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-44.5	173	178.2	0	0	0	0	110.7	E133 N134 V135 K139 E140 I141 F224	E133-V137 PolarHBondContact O-N 2.9Å; E133-V137 VanDerWaalsContact O-N 3.13Å; N134-V137 WeakPolarHBondContact O-CB 3.33Å; N134-V137 PolarHBondContact O-N 2.87Å; V135-V137 VanDerWaalsContact C-N 3.3Å; V135-V137 PolarHBondContact O-N 3.15Å; V137-K139 PolarHBondContact O-N 3.11Å; V137-E140 WeakPolarHBondContact O-CB 3.47Å; V137-E140 PolarHBondContact O-N 3.08Å; V137-E140 VanDerWaalsContact O-N 3.12Å; V137-I141 HydrophobicContact CG1-CD1 4.22Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.48Å; V137-F224 HydrophobicContact CB-CD2 4.25Å; V137-F224 HydrophobicContact CG1-CB 4.12Å; V137-F224 HydrophobicContact CG1-CD2 4.14Å; V137-F224 HydrophobicContact CG1-CG 4.46Å
138	F	64.5	Low	66.3	Low	30 Å²	30	57.2 Å²	57.2	13%	0.132	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-43.8	176.1	-174.2	-97.2	0	0	0	112.8	P32 N134 V135 E140 I141 E142 F224	P32-F138 HydrophobicContact CB-CD1 3.7Å; P32-F138 HydrophobicContact CB-CE1 3.58Å; P32-F138 HydrophobicContact CB-CE2 4.43Å; P32-F138 HydrophobicContact CB-CG 4.19Å; P32-F138 HydrophobicContact CB-CZ 3.96Å; P32-F138 HydrophobicContact CG-CB 4.35Å; P32-F138 HydrophobicContact CG-CD1 3.77Å; P32-F138 HydrophobicContact CG-CD2 3.87Å; P32-F138 HydrophobicContact CG-CE1 3.97Å; P32-F138 HydrophobicContact CG-CE2 4.05Å; P32-F138 HydrophobicContact CG-CG 3.72Å; P32-F138 HydrophobicContact CG-CZ 4.09Å; P32-F138 WeakPolarHBondContact O-CE1 3.4Å; P32-F138 WeakPolarHBondContact O-CZ 3.38Å; N134-F138 PolarHBondContact O-N 3.31Å; V135-F138 WeakPolarHBondContact O-CB 3.48Å; V135-F138 PolarHBondContact O-N 2.91Å; F138-E140 VanDerWaalsContact C-N 3.25Å; F138-E140 PolarHBondContact O-N 3.31Å; F138-I141 WeakPolarHBondContact O-CB 3.3Å; F138-I141 PolarHBondContact O-N 3.39Å; F138-I141 VanDerWaalsContact O-N 3.13Å; F138-E142 PolarHBondContact O-N 3.06Å; F138-F224 HydrophobicContact CB-CD2 4.48Å; F138-F224 HydrophobicContact CB-CE1 4.47Å; F138-F224 HydrophobicContact CB-CE2 3.76Å; F138-F224 HydrophobicContact CB-CZ 3.75Å; F138-F224 HydrophobicContact CD2-CD1 4.41Å; F138-F224 AromaticContact CD2-CE1 3.6Å; F138-F224 HydrophobicContact CD2-CE1 3.6Å; F138-F224 HydrophobicContact CD2-CE2 4.4Å; F138-F224 AromaticContact CD2-CZ 3.6Å; F138-F224 HydrophobicContact CD2-CZ 3.6Å; F138-F224 HydrophobicContact CE2-CE1 4.37Å; F138-F224 HydrophobicContact CG-CE1 4.47Å; F138-F224 HydrophobicContact CG-CZ 4.05Å
139	K	63.3	Low	65.5	Low	102 Å²	102	58.8 Å²	58.8	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-32.6	175.5	-73.9	-177.1	179	179.2	0	112.2	V135 S136 V137 K143 A277	V135-K139 PolarHBondContact O-N 3.18Å; S136-K139 PolarHBondContact O-N 2.56Å; V137-K139 PolarHBondContact O-N 3.11Å; K139-K143 VanDerWaalsContact O-CB 3.31Å; K139-K143 WeakPolarHBondContact O-CB 3.12Å; K139-K143 PolarHBondContact O-N 3.37Å; K139-A277 PolarHBondContact NZ-O 3.39Å
140	E	67.3	Low	64.7	Low	134 Å²	134	58.4 Å²	58.4	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-70	-39.2	172.5	-70.8	-166.3	156	0	0	112.8	S136 V137 F138 K143 S144	S136-E140 PolarHBondContact O-N 2.78Å; S136-E140 VanDerWaalsContact O-N 3.1Å; V137-E140 WeakPolarHBondContact O-CB 3.47Å; V137-E140 PolarHBondContact O-N 3.08Å; V137-E140 VanDerWaalsContact O-N 3.12Å; F138-E140 VanDerWaalsContact C-N 3.25Å; F138-E140 PolarHBondContact O-N 3.31Å; E140-K143 PolarHBondContact O-N 2.81Å; E140-S144 WeakPolarHBondContact O-CB 3.24Å; E140-S144 PolarHBondContact O-N 2.81Å; E140-S144 PolarHBondContact O-OG 2.86Å
141	I	63.9	Low	63.9	Low	18 Å²	18	56.3 Å²	56.3	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-46.8	173.2	-65	168.3	0	0	0	109.9	V137 F138 K143 S144 L145 L217 F221 F224	V137-I141 HydrophobicContact CG1-CD1 4.22Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.48Å; F138-I141 WeakPolarHBondContact O-CB 3.3Å; F138-I141 PolarHBondContact O-N 3.39Å; F138-I141 VanDerWaalsContact O-N 3.13Å; I141-K143 PolarHBondContact O-N 3.38Å; I141-S144 WeakPolarHBondContact O-CB 3.4Å; I141-S144 PolarHBondContact O-N 2.79Å; I141-L145 PolarHBondContact O-N 3.49Å; I141-L217 HydrophobicContact CG2-CD1 4.3Å; I141-F221 HydrophobicContact CD1-CD2 4.37Å; I141-F221 HydrophobicContact CG2-CD2 4.39Å; I141-F224 HydrophobicContact CD1-CB 3.99Å; I141-F224 HydrophobicContact CD1-CD1 4.29Å; I141-F224 HydrophobicContact CD1-CG 4.1Å
142	E	60.9	Low	63.3	Low	39 Å²	39	57.7 Å²	57.7	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-48.8	177.2	-170.9	-167.6	166.1	0	0	111.6	S34 S36 L37 F138 S144 L145 A146	S34-E142 WeakPolarHBondContact CB-OE1 3.44Å; S34-E142 PolarHBondContact OG-OE1 2.89Å; S36-E142 PolarHBondContact OG-OE1 2.72Å; L37-E142 HydrophobicContact CD1-CG 3.92Å; F138-E142 PolarHBondContact O-N 3.06Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 3.38Å; E142-L145 WeakPolarHBondContact O-CB 3.39Å; E142-L145 PolarHBondContact O-N 3.33Å; E142-L145 VanDerWaalsContact O-N 3.17Å; E142-A146 PolarHBondContact O-N 3.31Å
143	K	67	Low	62.4	Low	151 Å²	151	55.9 Å²	55.9	66%	0.657	30%	0.304	S	S	*	.	H	α-helix	trans	-59.8	-39.7	176.5	-174.4	179.2	-179.6	-178.7	0	111.7	K139 E140 I141 A146 V147	K139-K143 VanDerWaalsContact O-CB 3.31Å; K139-K143 WeakPolarHBondContact O-CB 3.12Å; K139-K143 PolarHBondContact O-N 3.37Å; E140-K143 PolarHBondContact O-N 2.81Å; I141-K143 PolarHBondContact O-N 3.38Å; K143-A146 PolarHBondContact O-N 3.23Å; K143-V147 VanDerWaalsContact O-CG2 3.28Å; K143-V147 WeakPolarHBondContact O-CG2 3.15Å; K143-V147 PolarHBondContact O-N 2.87Å
144	S	64.3	Low	61.2	Low	62 Å²	62	52.2 Å²	52.2	43%	0.434	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-40.3	176.9	-60.6	0	0	0	0	111.6	E140 I141 E142 M148	E140-S144 WeakPolarHBondContact O-CB 3.24Å; E140-S144 PolarHBondContact O-N 2.81Å; E140-S144 PolarHBondContact O-OG 2.86Å; I141-S144 WeakPolarHBondContact O-CB 3.4Å; I141-S144 PolarHBondContact O-N 2.79Å; E142-S144 VanDerWaalsContact C-N 3.27Å; E142-S144 PolarHBondContact O-N 3.38Å; S144-M148 PolarHBondContact O-N 3.2Å
145	L	61.2	Low	60.3	Low	27 Å²	27	54.2 Å²	54.2	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-45.6	175.1	-159.4	81.2	0	0	0	111.5	L37 I141 E142 V147 M148 C149 L217	L37-L145 HydrophobicContact CD1-CD2 3.59Å; L37-L145 HydrophobicContact CD2-CD2 4.02Å; L37-L145 HydrophobicContact CG-CD2 4.22Å; I141-L145 PolarHBondContact O-N 3.49Å; E142-L145 WeakPolarHBondContact O-CB 3.39Å; E142-L145 PolarHBondContact O-N 3.33Å; E142-L145 VanDerWaalsContact O-N 3.17Å; L145-V147 PolarHBondContact O-N 3.49Å; L145-M148 WeakPolarHBondContact O-CA 3.33Å; L145-M148 VanDerWaalsContact O-CB 3.3Å; L145-M148 WeakPolarHBondContact O-CB 3.49Å; L145-M148 PolarHBondContact O-N 3.22Å; L145-M148 VanDerWaalsContact O-N 3.09Å; L145-C149 PolarHBondContact O-N 3.37Å; L145-C149 PolarHBondContact O-SG 2.89Å; L145-C149 VanDerWaalsContact O-SG 3.41Å; L145-L217 HydrophobicContact CD1-CD1 4.44Å; L145-L217 HydrophobicContact CD1-CD2 3.47Å; L145-L217 VanDerWaalsContact CD1-CD2 3.47Å
146	A	59.9	Low	59.5	Low	23 Å²	23	57 Å²	57	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-45.6	177.5	0	0	0	0	0	111.9	I40 E142 K143 M148 C149 D150	I40-A146 HydrophobicContact CD1-CB 4.32Å; E142-A146 PolarHBondContact O-N 3.31Å; K143-A146 PolarHBondContact O-N 3.23Å; A146-M148 VanDerWaalsContact C-N 3.27Å; A146-M148 PolarHBondContact O-N 2.89Å; A146-C149 PolarHBondContact O-N 3.41Å; A146-D150 WeakPolarHBondContact O-CB 3.4Å; A146-D150 PolarHBondContact O-N 3.17Å
147	V	64.3	Low	58.5	Low	89 Å²	89	61.4 Å²	61.4	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-37.3	174.2	170.5	0	0	0	0	111.5	K143 L145 G151	K143-V147 VanDerWaalsContact O-CG2 3.28Å; K143-V147 WeakPolarHBondContact O-CG2 3.15Å; K143-V147 PolarHBondContact O-N 2.87Å; L145-V147 PolarHBondContact O-N 3.49Å; V147-G151 PolarHBondContact O-N 3.19Å
148	M	63.1	Low	57.1	Low	14 Å²	14	64 Å²	64	7%	0.069	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-46	175.7	-131.5	-169.7	-60.4	0	0	111.5	S144 L145 A146 G151 F152 W210 M213 L217	S144-M148 PolarHBondContact O-N 3.2Å; L145-M148 WeakPolarHBondContact O-CA 3.33Å; L145-M148 VanDerWaalsContact O-CB 3.3Å; L145-M148 WeakPolarHBondContact O-CB 3.49Å; L145-M148 PolarHBondContact O-N 3.22Å; L145-M148 VanDerWaalsContact O-N 3.09Å; A146-M148 VanDerWaalsContact C-N 3.27Å; A146-M148 PolarHBondContact O-N 2.89Å; M148-G151 PolarHBondContact O-N 3.49Å; M148-F152 WeakPolarHBondContact O-CB 3.43Å; M148-F152 PolarHBondContact O-N 2.75Å; M148-W210 HydrophobicContact CG-CH2 4.39Å; M148-W210 HydrophobicContact CG-CZ3 4.02Å; M148-W210 HydrophobicContact SD-CH2 4.49Å; M148-W210 HydrophobicContact SD-CZ3 4.46Å; M148-M213 HydrophobicContact CE-CB 4.24Å; M148-M213 HydrophobicContact CG-CB 3.84Å; M148-M213 HydrophobicContact CG-CG 4.34Å; M148-M213 HydrophobicContact CG-SD 3.72Å; M148-M213 HydrophobicContact SD-CB 3.62Å; M148-L217 HydrophobicContact CE-CB 4.06Å; M148-L217 HydrophobicContact CE-CD1 3.82Å; M148-L217 HydrophobicContact CE-CD2 4.13Å; M148-L217 HydrophobicContact CE-CG 4.23Å
149	C	55.6	Low	56.2	Low	36 Å²	36	64 Å²	64	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-43.2	176.6	-70.5	0	0	0	0	112.1	I40 L145 A146 F152 A153	I40-C149 HydrophobicContact CG2-CB 4.45Å; L145-C149 PolarHBondContact O-N 3.37Å; L145-C149 PolarHBondContact O-SG 2.89Å; L145-C149 VanDerWaalsContact O-SG 3.41Å; A146-C149 PolarHBondContact O-N 3.41Å; C149-F152 WeakPolarHBondContact O-CB 3.45Å; C149-F152 PolarHBondContact O-N 3.44Å; C149-A153 VanDerWaalsContact O-CB 3.3Å; C149-A153 WeakPolarHBondContact O-CB 3.16Å; C149-A153 PolarHBondContact O-N 2.95Å
150	D	56.8	Low	55.2	Low	104 Å²	104	65.8 Å²	65.8	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-65.9	-41.8	175.6	-79.9	-18.4	0	0	0	111.8	A146 F152 A153 A154	A146-D150 WeakPolarHBondContact O-CB 3.4Å; A146-D150 PolarHBondContact O-N 3.17Å; D150-F152 VanDerWaalsContact C-N 3.32Å; D150-F152 PolarHBondContact O-N 3.21Å; D150-A153 PolarHBondContact O-N 3.28Å; D150-A154 WeakPolarHBondContact O-CB 3.21Å; D150-A154 PolarHBondContact O-N 3.45Å
151	G	57.1	Low	53.9	Low	35 Å²	35	66.1 Å²	66.1	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-39.4	174.4	0	0	0	0	0	112	V147 M148 S155	V147-G151 PolarHBondContact O-N 3.19Å; M148-G151 PolarHBondContact O-N 3.49Å; G151-S155 VanDerWaalsContact O-CB 3.29Å; G151-S155 WeakPolarHBondContact O-CB 3.48Å; G151-S155 PolarHBondContact O-N 3.43Å; G151-S155 PolarHBondContact O-OG 2.74Å
152	F	54.9	Low	53.1	Low	39 Å²	39	70 Å²	70	17%	0.171	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-49.7	173.2	-169.9	-101.5	0	0	0	111.2	C8 M148 C149 D150 A154 S155 V156 W210	C8-F152 WeakPolarHBondContact SG-CE1 3.47Å; M148-F152 WeakPolarHBondContact O-CB 3.43Å; M148-F152 PolarHBondContact O-N 2.75Å; C149-F152 WeakPolarHBondContact O-CB 3.45Å; C149-F152 PolarHBondContact O-N 3.44Å; D150-F152 VanDerWaalsContact C-N 3.32Å; D150-F152 PolarHBondContact O-N 3.21Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 2.85Å; F152-S155 CarbonylContact O-C 3.52Å; F152-S155 WeakPolarHBondContact O-CA 3.16Å; F152-S155 WeakPolarHBondContact O-CB 3.49Å; F152-S155 PolarHBondContact O-N 3.03Å; F152-V156 HydrophobicContact CD1-CG2 4.04Å; F152-V156 HydrophobicContact CE1-CG2 3.78Å; F152-V156 HydrophobicContact CZ-CG2 4.19Å; F152-V156 WeakPolarHBondContact O-CG2 3.28Å; F152-V156 PolarHBondContact O-N 3.18Å; F152-W210 HydrophobicContact CB-CH2 3.76Å; F152-W210 HydrophobicContact CB-CZ3 3.61Å; F152-W210 HydrophobicContact CD2-CD2 4.32Å; F152-W210 AromaticContact CD2-CE3 3.89Å; F152-W210 HydrophobicContact CD2-CE3 3.89Å; F152-W210 AromaticContact CD2-CH2 3.68Å; F152-W210 HydrophobicContact CD2-CH2 3.68Å; F152-W210 HydrophobicContact CD2-CZ2 4.11Å; F152-W210 AromaticContact CD2-CZ3 3.57Å; F152-W210 HydrophobicContact CD2-CZ3 3.57Å; F152-W210 AromaticContact CG-CH2 3.86Å; F152-W210 HydrophobicContact CG-CH2 3.86Å; F152-W210 AromaticContact CG-CZ3 3.94Å; F152-W210 HydrophobicContact CG-CZ3 3.94Å
153	A	47.6	Very low	52.1	Low	15 Å²	15	75 Å²	75	12%	0.124	42%	0.419	C	S	.	.	H	α-helix	trans	-60.2	-39.6	177.1	0	0	0	0	0	112.5	Y44 C149 D150 V156 K157	Y44-A153 WeakPolarHBondContact OH-CB 3.14Å; C149-A153 VanDerWaalsContact O-CB 3.3Å; C149-A153 WeakPolarHBondContact O-CB 3.16Å; C149-A153 PolarHBondContact O-N 2.95Å; D150-A153 PolarHBondContact O-N 3.28Å; A153-V156 PolarHBondContact O-N 3.13Å; A153-K157 WeakPolarHBondContact O-CB 3.32Å; A153-K157 PolarHBondContact O-N 3.09Å
154	A	48.1	Very low	51	Low	49 Å²	49	69.5 Å²	69.5	41%	0.405	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-38.4	173.4	0	0	0	0	0	111.4	D150 F152 K157 M158	D150-A154 WeakPolarHBondContact O-CB 3.21Å; D150-A154 PolarHBondContact O-N 3.45Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 2.85Å; A154-K157 PolarHBondContact O-N 2.99Å; A154-M158 WeakPolarHBondContact O-CB 3.06Å; A154-M158 VanDerWaalsContact O-CG 3.26Å; A154-M158 WeakPolarHBondContact O-CG 3.46Å; A154-M158 PolarHBondContact O-N 2.81Å
155	S	49.3	Very low	50.2	Low	50 Å²	50	70.8 Å²	70.8	35%	0.35	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-37.4	174	-61.4	0	0	0	0	111.8	G151 F152 S159	G151-S155 VanDerWaalsContact O-CB 3.29Å; G151-S155 WeakPolarHBondContact O-CB 3.48Å; G151-S155 PolarHBondContact O-N 3.43Å; G151-S155 PolarHBondContact O-OG 2.74Å; F152-S155 CarbonylContact O-C 3.52Å; F152-S155 WeakPolarHBondContact O-CA 3.16Å; F152-S155 WeakPolarHBondContact O-CB 3.49Å; F152-S155 PolarHBondContact O-N 3.03Å; S155-S159 WeakPolarHBondContact O-CB 3.44Å; S155-S159 PolarHBondContact O-N 3.2Å
156	V	47.1	Very low	49.4	Very low	62 Å²	62	73.9 Å²	73.9	38%	0.376	43%	0.426	S	S	.	.	H	α-helix	trans	-69.8	-41.4	172.8	174.4	0	0	0	0	111.1	F152 A153 S159 N160	F152-V156 HydrophobicContact CD1-CG2 4.04Å; F152-V156 HydrophobicContact CE1-CG2 3.78Å; F152-V156 HydrophobicContact CZ-CG2 4.19Å; F152-V156 WeakPolarHBondContact O-CG2 3.28Å; F152-V156 PolarHBondContact O-N 3.18Å; A153-V156 PolarHBondContact O-N 3.13Å; V156-S159 WeakPolarHBondContact CA-OG 3.25Å; V156-S159 WeakPolarHBondContact O-CA 3.39Å; V156-S159 VanDerWaalsContact O-CB 3.31Å; V156-S159 WeakPolarHBondContact O-CB 3.46Å; V156-S159 PolarHBondContact O-N 2.76Å; V156-S159 VanDerWaalsContact O-N 3.08Å; V156-S159 PolarHBondContact O-OG 2.88Å; V156-N160 PolarHBondContact O-N 3.12Å
157	K	43.2	Very low	49.1	Very low	158 Å²	158	76.2 Å²	76.2	69%	0.687	43%	0.434	S	S	*	.	H	α-helix	trans	-65.1	-40.3	173	-86.5	179.6	176.7	170.9	0	112.3	A153 A154 S159 N160	A153-K157 WeakPolarHBondContact O-CB 3.32Å; A153-K157 PolarHBondContact O-N 3.09Å; A154-K157 PolarHBondContact O-N 2.99Å; K157-S159 VanDerWaalsContact C-N 3.26Å; K157-S159 PolarHBondContact O-N 3.49Å; K157-N160 WeakPolarHBondContact O-CB 3.39Å; K157-N160 PolarHBondContact O-N 3.04Å
158	M	40.9	Very low	48.1	Very low	108 Å²	108	75.4 Å²	75.4	53%	0.532	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-36.2	170.8	-81.1	-83.4	-149.2	0	0	110.1	A154 N160 L161 Y162	A154-M158 WeakPolarHBondContact O-CB 3.06Å; A154-M158 VanDerWaalsContact O-CG 3.26Å; A154-M158 WeakPolarHBondContact O-CG 3.46Å; A154-M158 PolarHBondContact O-N 2.81Å; M158-N160 PolarHBondContact O-N 3.01Å; M158-L161 WeakPolarHBondContact O-CB 3.39Å; M158-L161 PolarHBondContact O-N 2.94Å; M158-Y162 HydrophobicContact CB-CE2 4.12Å; M158-Y162 WeakPolarHBondContact O-CD2 3.39Å; M158-Y162 WeakPolarHBondContact O-CE2 3.43Å
159	S	44	Very low	47.8	Very low	29 Å²	29	79.9 Å²	79.9	20%	0.203	45%	0.451	C	S	.	.	H	α-helix	trans	-57.1	-29	177	83.8	0	0	0	0	113.4	S155 V156 K157 L161 Y162	S155-S159 WeakPolarHBondContact O-CB 3.44Å; S155-S159 PolarHBondContact O-N 3.2Å; V156-S159 WeakPolarHBondContact CA-OG 3.25Å; V156-S159 WeakPolarHBondContact O-CA 3.39Å; V156-S159 VanDerWaalsContact O-CB 3.31Å; V156-S159 WeakPolarHBondContact O-CB 3.46Å; V156-S159 PolarHBondContact O-N 2.76Å; V156-S159 VanDerWaalsContact O-N 3.08Å; V156-S159 PolarHBondContact O-OG 2.88Å; K157-S159 VanDerWaalsContact C-N 3.26Å; K157-S159 PolarHBondContact O-N 3.49Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.25Å; S159-Y162 PolarHBondContact O-N 3.46Å; S159-Y162 VanDerWaalsContact O-N 3.11Å
160	N	43.7	Very low	47.3	Very low	140 Å²	140	80.3 Å²	80.3	75%	0.749	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.8	172.6	-76.8	-18.3	0	0	0	114.8	V156 K157 M158	V156-N160 PolarHBondContact O-N 3.12Å; K157-N160 WeakPolarHBondContact O-CB 3.39Å; K157-N160 PolarHBondContact O-N 3.04Å; M158-N160 PolarHBondContact O-N 3.01Å
161	L	39.5	Very low	46.8	Very low	141 Å²	141	79.5 Å²	79.5	74%	0.738	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-7	172.5	-79.3	158.3	0	0	0	112.9	M158 S159	M158-L161 WeakPolarHBondContact O-CB 3.39Å; M158-L161 PolarHBondContact O-N 2.94Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.25Å
162	Y	45.8	Very low	46.2	Very low	100 Å²	100	82.7 Å²	82.7	39%	0.392	46%	0.457	S	S	.	.	S	Bend	trans	-96.7	118.1	-179.8	-63.2	-80.9	0	0	0	109.9	M158 S159 C164 K202	M158-Y162 HydrophobicContact CB-CE2 4.12Å; M158-Y162 WeakPolarHBondContact O-CD2 3.39Å; M158-Y162 WeakPolarHBondContact O-CE2 3.43Å; S159-Y162 PolarHBondContact O-N 3.46Å; S159-Y162 VanDerWaalsContact O-N 3.11Å; Y162-C164 PolarHBondContact O-N 3.06Å; Y162-C164 PolarHBondContact O-SG 3.33Å; Y162-K202 HydrophobicContact CD1-CD 4.3Å; Y162-K202 VanDerWaalsContact CD1-NZ 3.3Å
163	V	40.4	Very low	45.9	Very low	144 Å²	144	87.9 Å²	87.9	87%	0.873	48%	0.476	S	S	*	.			trans	-49.5	103.1	177.3	-179.3	0	0	0	0	109.6
164	C	43.6	Very low	46	Very low	34 Å²	34	92 Å²	92	23%	0.23	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-79.8	129.4	173.2	-72.3	0	0	0	0	109.2	Y162 P166 H196	Y162-C164 PolarHBondContact O-N 3.06Å; Y162-C164 PolarHBondContact O-SG 3.33Å; C164-P166 WeakPolarHBondContact O-CD 3.35Å; C164-H196 HydrophobicContact CB-CB 3.45Å; C164-H196 VanDerWaalsContact CB-CB 3.45Å
165	T	48.8	Very low	46	Very low	89 Å²	89	94.9 Å²	94.9	55%	0.546	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.9	167.6	34.5	0	0	0	0	110	K197	T165-K197 PolarHBondContact O-N 3.25Å
166	P	43.9	Very low	46.1	Very low	93 Å²	93	99.4 Å²	99.4	60%	0.604	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	141	178.2	25.9	-31.2	0	0	0	113.2	C164 I194 D195	C164-P166 WeakPolarHBondContact O-CD 3.35Å; P166-I194 HydrophobicContact CB-CG2 3.86Å; P166-D195 CarbonylContact C-O 3.56Å; P166-D195 WeakPolarHBondContact CA-O 3.26Å
167	I	53.5	Low	46.2	Very low	72 Å²	72	104.5 Å²	104.5	37%	0.369	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.3	113.3	-179.9	-56.2	176.6	0	0	0	109.3	D195 K197	I167-D195 HydrophobicContact CB-CB 4.37Å; I167-D195 PolarHBondContact N-O 3.01Å; I167-D195 WeakPolarHBondContact O-CA 3.43Å; I167-D195 WeakPolarHBondContact O-CB 3.33Å; I167-D195 PolarHBondContact O-N 3.2Å; I167-K197 HydrophobicContact CD1-CB 3.94Å; I167-K197 HydrophobicContact CD1-CD 4.04Å; I167-K197 HydrophobicContact CD1-CG 4.2Å
168	S	44.2	Very low	46	Very low	71 Å²	71	101.6 Å²	101.6	50%	0.497	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.9	133	177.3	67.2	0	0	0	0	114.3	V193	S168-V193 CarbonylContact C-O 3.56Å; S168-V193 WeakPolarHBondContact CA-O 3.17Å
169	K	55.2	Low	46.3	Very low	109 Å²	109	100 Å²	100	47%	0.474	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	136.5	177.2	-82.1	177.2	177.8	158.5	0	113.6	I192 V193 D195	K169-I192 WeakPolarHBondContact O-CA 3.43Å; K169-I192 VanDerWaalsContact O-CG2 3.28Å; K169-I192 WeakPolarHBondContact O-CG2 3.41Å; K169-V193 PolarHBondContact N-O 3.09Å; K169-V193 PolarHBondContact O-N 3.09Å; K169-D195 IonicContact NZ-OD2 2.92Å; K169-D195 PolarHBondContact NZ-OD2 3.23Å
170	K	45.6	Very low	46.1	Very low	44 Å²	44	100.8 Å²	100.8	19%	0.191	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	141.6	169.9	-152.1	159.7	-131.7	-168.2	0	112.7	A56 Q57 E190 L191 I192	A56-K170 HydrophobicContact CB-CB 3.03Å; A56-K170 HydrophobicContact CB-CD 3.17Å; A56-K170 HydrophobicContact CB-CG 2.99Å; Q57-K170 VanDerWaalsContact CA-CB 3.44Å; Q57-K170 HydrophobicContact CB-CB 4.28Å; Q57-K170 HydrophobicContact CB-CD 3.9Å; Q57-K170 HydrophobicContact CG-CD 3.56Å; K170-E190 HydrophobicContact CD-CG 4.38Å; K170-E190 VanDerWaalsContact CD-OE1 3.31Å; K170-E190 WeakPolarHBondContact CD-OE1 3.43Å; K170-E190 WeakPolarHBondContact CE-OE1 3.26Å; K170-E190 WeakPolarHBondContact CE-OE2 3.21Å; K170-E190 IonicContact NZ-OE1 2.82Å; K170-E190 PolarHBondContact NZ-OE1 3.09Å; K170-E190 IonicContact NZ-OE2 2.7Å; K170-E190 PolarHBondContact NZ-OE2 3.48Å; K170-L191 CarbonylContact C-O 3.51Å; K170-I192 HydrophobicContact CG-CG1 4.3Å
171	L	47	Very low	46	Very low	87 Å²	87	100.3 Å²	100.3	46%	0.455	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.9	136.9	165.8	-69.8	156.2	0	0	0	108.9	E190 L191 V193	L171-E190 CarbonylContact O-C 3.6Å; L171-E190 VanDerWaalsContact O-CA 3.27Å; L171-E190 WeakPolarHBondContact O-CA 3.1Å; L171-L191 PolarHBondContact N-O 3.33Å; L171-L191 PolarHBondContact O-N 2.71Å; L171-V193 HydrophobicContact CD1-CG2 4.1Å
172	T	44.4	Very low	46.1	Very low	103 Å²	103	101.6 Å²	101.6	63%	0.632	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.5	130.7	176.6	7.5	0	0	0	0	108.5	A189 E190	T172-A189 WeakPolarHBondContact CA-O 3.3Å; T172-E190 HydrophobicContact CG2-CG 3.4Å; T172-E190 VanDerWaalsContact CG2-CG 3.4Å
173	Y	48.1	Very low	47.1	Very low	148 Å²	148	100.8 Å²	100.8	58%	0.58	58%	0.58	S	S	*	*			trans	-98.9	146.6	178.5	-73.9	-83.4	0	0	0	112.7	A189	Y173-A189 PolarHBondContact N-O 2.93Å
174	S	49.7	Very low	47.6	Very low	101 Å²	101	101.5 Å²	101.5	71%	0.706	57%	0.573	S	S	*	*			trans	-82.8	140.6	-178.2	-165.3	0	0	0	0	112.2	N176	S174-N176 VanDerWaalsContact C-N 3.31Å; S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.1Å
175	P	48	Very low	47.9	Very low	109 Å²	109	103.1 Å²	103.1	71%	0.708	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	7.4	-165.2	19.1	-16.8	0	0	0	117.4
176	N	51.2	Low	48.2	Very low	146 Å²	146	106 Å²	106	78%	0.781	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	13.1	-168.5	-75.8	-7.1	0	0	0	116.3	S174	S174-N176 VanDerWaalsContact C-N 3.31Å; S174-N176 PolarHBondContact O-N 3.38Å; S174-N176 VanDerWaalsContact O-N 3.1Å
177	L	49.8	Very low	48.4	Very low	168 Å²	168	105 Å²	105	88%	0.88	59%	0.592	S	S	*	*			trans	-135.6	74.7	178	-83.2	150.5	0	0	0	109.2
178	T	39.2	Very low	48.4	Very low	98 Å²	98	105.4 Å²	105.4	60%	0.601	60%	0.599	S	S	*	*			trans	-87.4	128.1	176	45.7	0	0	0	0	109.8
179	V	46.8	Very low	48.9	Very low	75 Å²	75	105.6 Å²	105.6	46%	0.455	61%	0.605	S	S	.	*			trans	98.4	106.7	170.1	-166.1	0	0	0	0	114.6	Q184	V179-Q184 VanDerWaalsContact CG1-CA 3.47Å; V179-Q184 HydrophobicContact CG1-CB 3.85Å; V179-Q184 HydrophobicContact CG1-CG 4.03Å
180	C	39.7	Very low	48.7	Very low	44 Å²	44	104.4 Å²	104.4	30%	0.297	60%	0.601	S	S	.	*			trans	-57.4	125.3	166.1	175	0	0	0	0	110.5	L182 C183 Q184 S185	C180-L182 PolarHBondContact O-N 3.15Å; C180-L182 VanDerWaalsContact O-N 3.1Å; C180-L182 PolarHBondContact SG-N 2.86Å; C180-L182 VanDerWaalsContact SG-N 3.42Å; C180-C183 VanDerWaalsContact CB-SG 3.57Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 PolarHBondContact SG-SG 2.89Å; C180-Q184 WeakPolarHBondContact O-CA 3.18Å; C180-Q184 PolarHBondContact O-N 3.49Å; C180-S185 PolarHBondContact N-O 3.47Å
181	P	42.1	Very low	48.5	Very low	130 Å²	130	106.3 Å²	106.3	84%	0.844	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-14	-179.8	23.5	-30.9	0	0	0	113.8
182	L	41.6	Very low	48.7	Very low	168 Å²	168	103.1 Å²	103.1	88%	0.88	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-27.5	-179	-80.4	153	0	0	0	114.5	C180	C180-L182 PolarHBondContact O-N 3.15Å; C180-L182 VanDerWaalsContact O-N 3.1Å; C180-L182 PolarHBondContact SG-N 2.86Å; C180-L182 VanDerWaalsContact SG-N 3.42Å
183	C	66	Low	48.8	Very low	84 Å²	84	101.2 Å²	101.2	57%	0.568	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	5.4	-176.4	64.8	0	0	0	0	115.4	C180 S185	C180-C183 VanDerWaalsContact CB-SG 3.57Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 PolarHBondContact SG-SG 2.89Å; C183-S185 PolarHBondContact O-N 3.35Å; C183-S185 PolarHBondContact SG-OG 3.04Å
184	Q	50.4	Low	48.7	Very low	159 Å²	159	98.9 Å²	98.9	74%	0.743	58%	0.581	S	S	*	*			trans	54.2	13.7	179.6	-59.1	-168.4	1.1	0	0	116.7	V179 C180	V179-Q184 VanDerWaalsContact CG1-CA 3.47Å; V179-Q184 HydrophobicContact CG1-CB 3.85Å; V179-Q184 HydrophobicContact CG1-CG 4.03Å; C180-Q184 WeakPolarHBondContact O-CA 3.18Å; C180-Q184 PolarHBondContact O-N 3.49Å
185	S	51.1	Low	48.6	Very low	67 Å²	67	95.6 Å²	95.6	47%	0.469	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-78.8	142.8	179.7	60.9	0	0	0	0	112.5	C180 C183	C180-S185 PolarHBondContact N-O 3.47Å; C183-S185 PolarHBondContact O-N 3.35Å; C183-S185 PolarHBondContact SG-OG 3.04Å
186	E	55.2	Low	48.5	Very low	150 Å²	150	94.2 Å²	94.2	70%	0.701	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-83.6	130.1	170.3	-70.6	-178.5	159.9	0	0	109.8
187	A	48.5	Very low	48.4	Very low	73 Å²	73	93.3 Å²	93.3	60%	0.603	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-73.4	139.2	-179.6	0	0	0	0	0	111.8
188	P	53.3	Low	48.5	Very low	80 Å²	80	88.8 Å²	88.8	52%	0.519	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-66.9	142.1	176.1	26.2	-32	0	0	0	111.7	E190	P188-E190 VanDerWaalsContact C-N 3.27Å; P188-E190 PolarHBondContact O-N 2.67Å
189	A	54.6	Low	49.4	Very low	74 Å²	74	88.7 Å²	88.7	61%	0.612	50%	0.5	S	S	*	.	S	Bend	trans	-66	-22	-175	0	0	0	0	0	114.7	T172 Y173	T172-A189 WeakPolarHBondContact CA-O 3.3Å; Y173-A189 PolarHBondContact N-O 2.93Å
190	E	50.5	Low	49.9	Very low	85 Å²	85	92.1 Å²	92.1	40%	0.397	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	138.4	-178.7	-77.3	-172.7	144.7	0	0	112.8	K170 L171 T172 P188	K170-E190 HydrophobicContact CD-CG 4.38Å; K170-E190 VanDerWaalsContact CD-OE1 3.31Å; K170-E190 WeakPolarHBondContact CD-OE1 3.43Å; K170-E190 WeakPolarHBondContact CE-OE1 3.26Å; K170-E190 WeakPolarHBondContact CE-OE2 3.21Å; K170-E190 IonicContact NZ-OE1 2.82Å; K170-E190 PolarHBondContact NZ-OE1 3.09Å; K170-E190 IonicContact NZ-OE2 2.7Å; K170-E190 PolarHBondContact NZ-OE2 3.48Å; L171-E190 CarbonylContact O-C 3.6Å; L171-E190 VanDerWaalsContact O-CA 3.27Å; L171-E190 WeakPolarHBondContact O-CA 3.1Å; T172-E190 HydrophobicContact CG2-CG 3.4Å; T172-E190 VanDerWaalsContact CG2-CG 3.4Å; P188-E190 VanDerWaalsContact C-N 3.27Å; P188-E190 PolarHBondContact O-N 2.67Å
191	L	41.5	Very low	50.9	Low	83 Å²	83	94.2 Å²	94.2	44%	0.435	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.3	178.5	-160.4	130.3	0	0	0	112.7	K170 L171 V193	K170-L191 CarbonylContact C-O 3.51Å; L171-L191 PolarHBondContact N-O 3.33Å; L171-L191 PolarHBondContact O-N 2.71Å; L191-V193 HydrophobicContact CD2-CG2 4.21Å
192	I	52.1	Low	51.6	Low	21 Å²	21	92 Å²	92	11%	0.108	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	127.7	-155.5	-45.3	150.9	0	0	0	111.6	V54 V55 A56 K169 K170	V54-I192 WeakPolarHBondContact O-CG2 3.28Å; V55-I192 HydrophobicContact CB-CD1 3.4Å; V55-I192 HydrophobicContact CB-CG1 4.25Å; V55-I192 HydrophobicContact CG1-CD1 3.78Å; V55-I192 HydrophobicContact CG2-CD1 3.1Å; V55-I192 HydrophobicContact CG2-CG1 4.33Å; V55-I192 VanDerWaalsContact N-CG1 3.32Å; V55-I192 WeakPolarHBondContact O-CG2 3.14Å; A56-I192 HydrophobicContact CB-CB 3.95Å; A56-I192 HydrophobicContact CB-CD1 3.72Å; A56-I192 HydrophobicContact CB-CG1 3.35Å; A56-I192 HydrophobicContact CB-CG2 3.54Å; K169-I192 WeakPolarHBondContact O-CA 3.43Å; K169-I192 VanDerWaalsContact O-CG2 3.28Å; K169-I192 WeakPolarHBondContact O-CG2 3.41Å; K170-I192 HydrophobicContact CG-CG1 4.3Å
193	V	44.6	Very low	52.2	Low	63 Å²	63	88.4 Å²	88.4	38%	0.382	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	-166.5	-172.2	0	0	0	0	110.7	S168 K169 L171 L191	S168-V193 CarbonylContact C-O 3.56Å; S168-V193 WeakPolarHBondContact CA-O 3.17Å; K169-V193 PolarHBondContact N-O 3.09Å; K169-V193 PolarHBondContact O-N 3.09Å; L171-V193 HydrophobicContact CD1-CG2 4.1Å; L191-V193 HydrophobicContact CD2-CG2 4.21Å
194	I	46.1	Very low	52.2	Low	99 Å²	99	88.5 Å²	88.5	51%	0.508	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.9	167.3	-57.5	175.3	0	0	0	108.1	P166	P166-I194 HydrophobicContact CB-CG2 3.86Å
195	D	48.8	Very low	52.8	Low	32 Å²	32	86.4 Å²	86.4	17%	0.171	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	160.9	-177.3	-152.2	-11.9	0	0	0	109.8	M1 P166 I167 K169	M1-D195 PolarHBondContact N-OD1 2.98Å; P166-D195 CarbonylContact C-O 3.56Å; P166-D195 WeakPolarHBondContact CA-O 3.26Å; I167-D195 HydrophobicContact CB-CB 4.37Å; I167-D195 PolarHBondContact N-O 3.01Å; I167-D195 WeakPolarHBondContact O-CA 3.43Å; I167-D195 WeakPolarHBondContact O-CB 3.33Å; I167-D195 PolarHBondContact O-N 3.2Å; K169-D195 IonicContact NZ-OD2 2.92Å; K169-D195 PolarHBondContact NZ-OD2 3.23Å
196	H	46.3	Very low	53.2	Low	79 Å²	79	87 Å²	87	37%	0.366	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.8	-171.9	-84.9	-23.1	0	0	0	109.8	M1 C164	M1-H196 HydrophobicContact CE-CB 3.71Å; C164-H196 HydrophobicContact CB-CB 3.45Å; C164-H196 VanDerWaalsContact CB-CB 3.45Å
197	K	48.5	Very low	53.4	Low	128 Å²	128	83.7 Å²	83.7	56%	0.557	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.1	-176.3	-126.6	-170.8	-179.4	-167.6	0	113.2	T165 I167	T165-K197 PolarHBondContact O-N 3.25Å; I167-K197 HydrophobicContact CD1-CB 3.94Å; I167-K197 HydrophobicContact CD1-CD 4.04Å; I167-K197 HydrophobicContact CD1-CG 4.2Å
198	L	51.9	Low	54.2	Low	73 Å²	73	86.5 Å²	86.5	38%	0.382	45%	0.445	S	S	.	.			trans	-77.5	154.3	168.7	-92.9	147.8	0	0	0	111.1	K202	L198-K202 HydrophobicContact CD2-CB 4.32Å
199	D	58.9	Low	54.4	Low	95 Å²	95	85.5 Å²	85.5	51%	0.508	44%	0.444	S	S	.	.			trans	-66.9	135	172.4	-176.9	-6.5	0	0	0	110.5	V201 K202 E203	D199-V201 VanDerWaalsContact C-N 3.27Å; D199-V201 PolarHBondContact O-N 3.44Å; D199-K202 HydrophobicContact CB-CD 4.19Å; D199-K202 HydrophobicContact CB-CG 4.24Å; D199-K202 WeakPolarHBondContact O-CA 3.42Å; D199-K202 WeakPolarHBondContact O-CB 3.35Å; D199-K202 PolarHBondContact O-N 3.25Å; D199-E203 PolarHBondContact O-N 3.21Å; D199-E203 VanDerWaalsContact O-N 3.1Å
200	F	55.8	Low	54.6	Low	147 Å²	147	84.6 Å²	84.6	65%	0.645	42%	0.424	S	S	*	.	H	α-helix	trans	-52.5	-40.4	-174.1	-179.2	-93	0	0	0	113.3	K202 E203 E204	F200-K202 PolarHBondContact O-N 3.15Å; F200-E203 PolarHBondContact O-N 3.42Å; F200-E204 PolarHBondContact O-N 2.77Å
201	V	60.4	Low	55.2	Low	88 Å²	88	88 Å²	88	53%	0.533	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-33.3	179.1	179.5	0	0	0	0	111.3	D199 L205	D199-V201 VanDerWaalsContact C-N 3.27Å; D199-V201 PolarHBondContact O-N 3.44Å; V201-L205 HydrophobicContact CG1-CD1 4.41Å; V201-L205 WeakPolarHBondContact O-CG 3.28Å; V201-L205 PolarHBondContact O-N 3.16Å
202	K	57.1	Low	56.1	Low	85 Å²	85	87.9 Å²	87.9	37%	0.37	44%	0.441	S	S	.	.	H	α-helix	trans	-79.4	-35.1	-179	-60	-176.8	-176.9	178.7	0	111.5	Y162 L198 D199 F200 L206	Y162-K202 HydrophobicContact CD1-CD 4.3Å; Y162-K202 VanDerWaalsContact CD1-NZ 3.3Å; L198-K202 HydrophobicContact CD2-CB 4.32Å; D199-K202 HydrophobicContact CB-CD 4.19Å; D199-K202 HydrophobicContact CB-CG 4.24Å; D199-K202 WeakPolarHBondContact O-CA 3.42Å; D199-K202 WeakPolarHBondContact O-CB 3.35Å; D199-K202 PolarHBondContact O-N 3.25Å; F200-K202 PolarHBondContact O-N 3.15Å; K202-L206 PolarHBondContact O-N 3.14Å; K202-L206 VanDerWaalsContact O-N 3.15Å
203	E	55.7	Low	56.4	Low	91 Å²	91	91.4 Å²	91.4	43%	0.425	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-46.7	172.7	-163	168.4	-160.1	0	0	110.8	D199 F200 L205 L206 D207	D199-E203 PolarHBondContact O-N 3.21Å; D199-E203 VanDerWaalsContact O-N 3.1Å; F200-E203 PolarHBondContact O-N 3.42Å; E203-L205 PolarHBondContact O-N 2.83Å; E203-L206 WeakPolarHBondContact O-CB 3.36Å; E203-L206 PolarHBondContact O-N 2.89Å; E203-D207 PolarHBondContact O-N 2.77Å
204	E	64.7	Low	57	Low	86 Å²	86	91 Å²	91	40%	0.402	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-34.8	179.7	-159.5	-169	157.8	0	0	113.5	F200 K208	F200-E204 PolarHBondContact O-N 2.77Å; E204-K208 PolarHBondContact O-N 2.86Å; E204-K208 VanDerWaalsContact O-N 3.11Å; E204-K208 WeakPolarHBondContact OE1-CE 3.44Å; E204-K208 IonicContact OE1-NZ 2.81Å; E204-K208 PolarHBondContact OE1-NZ 3.41Å
205	L	62.5	Low	57.6	Low	116 Å²	116	96.1 Å²	96.1	61%	0.607	47%	0.466	S	S	*	.	H	α-helix	trans	-68	-38.6	174.5	-78.7	167.4	0	0	0	111.9	V201 E203 A209	V201-L205 HydrophobicContact CG1-CD1 4.41Å; V201-L205 WeakPolarHBondContact O-CG 3.28Å; V201-L205 PolarHBondContact O-N 3.16Å; E203-L205 PolarHBondContact O-N 2.83Å; L205-A209 WeakPolarHBondContact O-CB 3.43Å; L205-A209 PolarHBondContact O-N 2.77Å
206	L	59.4	Low	58.1	Low	78 Å²	78	98.4 Å²	98.4	41%	0.408	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-47.7	176.7	-141.2	95.9	0	0	0	110.5	K202 E203 K208 A209 W210	K202-L206 PolarHBondContact O-N 3.14Å; K202-L206 VanDerWaalsContact O-N 3.15Å; E203-L206 WeakPolarHBondContact O-CB 3.36Å; E203-L206 PolarHBondContact O-N 2.89Å; L206-K208 PolarHBondContact O-N 3.47Å; L206-A209 PolarHBondContact O-N 3.48Å; L206-W210 VanDerWaalsContact O-CB 3.29Å; L206-W210 WeakPolarHBondContact O-CB 3.48Å; L206-W210 PolarHBondContact O-N 3.37Å
207	D	60.3	Low	58.8	Low	81 Å²	81	96.2 Å²	96.2	43%	0.433	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-45.5	179.4	-78.7	-11.1	0	0	0	112.1	E203 A209 W210 Y211	E203-D207 PolarHBondContact O-N 2.77Å; D207-A209 PolarHBondContact O-N 2.88Å; D207-W210 PolarHBondContact O-N 3.09Å; D207-Y211 HydrophobicContact CB-CD2 4.47Å; D207-Y211 VanDerWaalsContact O-CD2 3.22Å; D207-Y211 WeakPolarHBondContact O-CD2 3.4Å; D207-Y211 PolarHBondContact O-N 3.04Å
208	K	65.2	Low	59.2	Low	132 Å²	132	95.1 Å²	95.1	57%	0.574	47%	0.473	S	S	*	.	H	α-helix	trans	-63.5	-42.7	179.3	-80.3	177.2	-174.4	157.3	0	112.9	E204 L206 W210 S212	E204-K208 PolarHBondContact O-N 2.86Å; E204-K208 VanDerWaalsContact O-N 3.11Å; E204-K208 WeakPolarHBondContact OE1-CE 3.44Å; E204-K208 IonicContact OE1-NZ 2.81Å; E204-K208 PolarHBondContact OE1-NZ 3.41Å; L206-K208 PolarHBondContact O-N 3.47Å; K208-W210 VanDerWaalsContact C-N 3.3Å; K208-S212 PolarHBondContact O-N 3.02Å
209	A	58.1	Low	59.6	Low	60 Å²	60	100.4 Å²	100.4	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-41.7	176.8	0	0	0	0	0	110.8	L205 L206 D207 M213	L205-A209 WeakPolarHBondContact O-CB 3.43Å; L205-A209 PolarHBondContact O-N 2.77Å; L206-A209 PolarHBondContact O-N 3.48Å; D207-A209 PolarHBondContact O-N 2.88Å; A209-M213 PolarHBondContact O-N 3.36Å
210	W	58.2	Low	60	Low	55 Å²	55	101.1 Å²	101.1	21%	0.208	49%	0.488	C	S	.	.	H	α-helix	trans	-65.6	-50.9	-179.5	-167.2	-111.4	0	0	0	113.3	M148 F152 L206 D207 K208 S212 M213 L214	M148-W210 HydrophobicContact CG-CH2 4.39Å; M148-W210 HydrophobicContact CG-CZ3 4.02Å; M148-W210 HydrophobicContact SD-CH2 4.49Å; M148-W210 HydrophobicContact SD-CZ3 4.46Å; F152-W210 HydrophobicContact CB-CH2 3.76Å; F152-W210 HydrophobicContact CB-CZ3 3.61Å; F152-W210 HydrophobicContact CD2-CD2 4.32Å; F152-W210 AromaticContact CD2-CE3 3.89Å; F152-W210 HydrophobicContact CD2-CE3 3.89Å; F152-W210 AromaticContact CD2-CH2 3.68Å; F152-W210 HydrophobicContact CD2-CH2 3.68Å; F152-W210 HydrophobicContact CD2-CZ2 4.11Å; F152-W210 AromaticContact CD2-CZ3 3.57Å; F152-W210 HydrophobicContact CD2-CZ3 3.57Å; F152-W210 AromaticContact CG-CH2 3.86Å; F152-W210 HydrophobicContact CG-CH2 3.86Å; F152-W210 AromaticContact CG-CZ3 3.94Å; F152-W210 HydrophobicContact CG-CZ3 3.94Å; L206-W210 VanDerWaalsContact O-CB 3.29Å; L206-W210 WeakPolarHBondContact O-CB 3.48Å; L206-W210 PolarHBondContact O-N 3.37Å; D207-W210 PolarHBondContact O-N 3.09Å; K208-W210 VanDerWaalsContact C-N 3.3Å; W210-S212 VanDerWaalsContact C-N 3.27Å; W210-S212 PolarHBondContact O-N 2.93Å; W210-M213 PolarHBondContact O-N 2.77Å; W210-M213 VanDerWaalsContact O-N 3.13Å; W210-L214 HydrophobicContact CG-CD1 4.42Å; W210-L214 PolarHBondContact O-N 3.49Å; W210-L214 VanDerWaalsContact O-N 3.12Å
211	Y	62.6	Low	60.3	Low	155 Å²	155	97.4 Å²	97.4	61%	0.608	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-31.8	179.3	-84.7	-67.4	0	0	0	113.5	D207 R215	D207-Y211 HydrophobicContact CB-CD2 4.47Å; D207-Y211 VanDerWaalsContact O-CD2 3.22Å; D207-Y211 WeakPolarHBondContact O-CD2 3.4Å; D207-Y211 PolarHBondContact O-N 3.04Å; Y211-R215 PolarHBondContact O-N 2.87Å
212	S	61.5	Low	60.2	Low	81 Å²	81	97.6 Å²	97.6	57%	0.566	47%	0.469	S	S	*	.	H	α-helix	trans	-68.2	-37.6	176	-172.6	0	0	0	0	112.2	K208 W210 T216	K208-S212 PolarHBondContact O-N 3.02Å; W210-S212 VanDerWaalsContact C-N 3.27Å; W210-S212 PolarHBondContact O-N 2.93Å; S212-T216 PolarHBondContact O-OG1 2.69Å
213	M	58.7	Low	60.7	Low	96 Å²	96	98.3 Å²	98.3	47%	0.473	48%	0.477	S	S	.	.	H	α-helix	trans	-68.9	-43.1	177.1	-73.6	179.5	165.2	0	0	111.1	M148 A209 W210 R215 T216 L217	M148-M213 HydrophobicContact CE-CB 4.24Å; M148-M213 HydrophobicContact CG-CB 3.84Å; M148-M213 HydrophobicContact CG-CG 4.34Å; M148-M213 HydrophobicContact CG-SD 3.72Å; M148-M213 HydrophobicContact SD-CB 3.62Å; A209-M213 PolarHBondContact O-N 3.36Å; W210-M213 PolarHBondContact O-N 2.77Å; W210-M213 VanDerWaalsContact O-N 3.13Å; M213-R215 PolarHBondContact O-N 3.4Å; M213-T216 PolarHBondContact O-N 2.89Å; M213-L217 PolarHBondContact O-N 2.65Å
214	L	56.2	Low	61.2	Low	53 Å²	53	94.1 Å²	94.1	28%	0.277	46%	0.458	S	S	.	.	H	α-helix	trans	-59.2	-47.4	179.5	-86.7	159.6	0	0	0	114.1	W210 T216 L217 D218	W210-L214 HydrophobicContact CG-CD1 4.42Å; W210-L214 PolarHBondContact O-N 3.49Å; W210-L214 VanDerWaalsContact O-N 3.12Å; L214-T216 PolarHBondContact O-N 3.16Å; L214-L217 WeakPolarHBondContact O-CB 2.86Å; L214-L217 PolarHBondContact O-N 2.5Å; L214-D218 PolarHBondContact O-N 3.13Å; L214-D218 VanDerWaalsContact O-N 3.1Å
215	R	58	Low	61	Low	208 Å²	208	91.5 Å²	91.5	79%	0.785	45%	0.447	S	S	*	.	H	α-helix	trans	-62	-29.8	-179.7	-89.9	-172.5	178	175.9	0.8	114.3	Y211 M213	Y211-R215 PolarHBondContact O-N 2.87Å; M213-R215 PolarHBondContact O-N 3.4Å
216	T	60.1	Low	61	Low	80 Å²	80	91.4 Å²	91.4	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-72.9	-40	-179.9	-46.3	0	0	0	0	109.3	S212 M213 L214 H220	S212-T216 PolarHBondContact O-OG1 2.69Å; M213-T216 PolarHBondContact O-N 2.89Å; L214-T216 PolarHBondContact O-N 3.16Å; T216-H220 PolarHBondContact O-CD2 2.93Å
217	L	61.4	Low	61.4	Low	33 Å²	33	91 Å²	91	17%	0.173	45%	0.446	C	S	.	.	H	α-helix	trans	-65.3	-43.6	177.7	-159.1	93	0	0	0	112.5	I141 L145 M148 M213 L214 R219 H220 F221	I141-L217 HydrophobicContact CG2-CD1 4.3Å; L145-L217 HydrophobicContact CD1-CD1 4.44Å; L145-L217 HydrophobicContact CD1-CD2 3.47Å; L145-L217 VanDerWaalsContact CD1-CD2 3.47Å; M148-L217 HydrophobicContact CE-CB 4.06Å; M148-L217 HydrophobicContact CE-CD1 3.82Å; M148-L217 HydrophobicContact CE-CD2 4.13Å; M148-L217 HydrophobicContact CE-CG 4.23Å; M213-L217 PolarHBondContact O-N 2.65Å; L214-L217 WeakPolarHBondContact O-CB 2.86Å; L214-L217 PolarHBondContact O-N 2.5Å; L217-R219 PolarHBondContact O-N 3Å; L217-H220 PolarHBondContact O-N 2.98Å; L217-F221 WeakPolarHBondContact O-CB 2.93Å; L217-F221 PolarHBondContact O-N 2.86Å; L217-F221 VanDerWaalsContact O-N 3.08Å
218	D	56.7	Low	61.5	Low	105 Å²	105	87.6 Å²	87.6	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-55.9	-49.1	-177.4	-158.2	35.4	0	0	0	112.3	L214 H220 F221 D222	L214-D218 PolarHBondContact O-N 3.13Å; L214-D218 VanDerWaalsContact O-N 3.1Å; D218-H220 PolarHBondContact O-N 3.34Å; D218-F221 PolarHBondContact O-N 3.1Å; D218-D222 PolarHBondContact O-N 3.29Å
219	R	61.4	Low	61.3	Low	184 Å²	184	83.5 Å²	83.5	69%	0.694	41%	0.414	S	S	*	.	H	α-helix	trans	-67.9	-37.3	-179.3	-172	178.2	178.6	175.5	0.9	113.5	L217 F221 D223	L217-R219 PolarHBondContact O-N 3Å; R219-F221 PolarHBondContact O-N 3.43Å; R219-D223 PolarHBondContact O-N 2.95Å
220	H	66.4	Low	61.6	Low	110 Å²	110	86.2 Å²	86.2	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-69.8	-26.7	177.4	-76.2	-59.2	0	0	0	112.2	T216 L217 D218 F224	T216-H220 PolarHBondContact O-CD2 2.93Å; L217-H220 PolarHBondContact O-N 2.98Å; D218-H220 PolarHBondContact O-N 3.34Å; H220-F224 WeakPolarHBondContact O-CB 3.43Å; H220-F224 PolarHBondContact O-N 3.12Å
221	F	61	Low	62	Low	68 Å²	68	83.9 Å²	83.9	30%	0.298	41%	0.412	S	S	.	.	H	α-helix	trans	-76	-47.6	178.8	-171.1	-98.3	0	0	0	112	F31 I141 L217 D218 R219 D223 F224 V225	F31-F221 HydrophobicContact CE1-CE2 4.33Å; F31-F221 AromaticContact CE1-CZ 3.78Å; F31-F221 HydrophobicContact CE1-CZ 3.78Å; F31-F221 HydrophobicContact CZ-CZ 4.29Å; I141-F221 HydrophobicContact CD1-CD2 4.37Å; I141-F221 HydrophobicContact CG2-CD2 4.39Å; L217-F221 WeakPolarHBondContact O-CB 2.93Å; L217-F221 PolarHBondContact O-N 2.86Å; L217-F221 VanDerWaalsContact O-N 3.08Å; D218-F221 PolarHBondContact O-N 3.1Å; R219-F221 PolarHBondContact O-N 3.43Å; F221-D223 PolarHBondContact O-N 3.24Å; F221-F224 WeakPolarHBondContact O-CB 3.28Å; F221-F224 PolarHBondContact O-N 3.38Å; F221-F224 VanDerWaalsContact O-N 3.12Å; F221-V225 HydrophobicContact CD1-CG2 4.01Å; F221-V225 HydrophobicContact CE1-CG2 3.66Å; F221-V225 HydrophobicContact CZ-CG2 3.97Å; F221-V225 WeakPolarHBondContact O-CG2 3.49Å; F221-V225 PolarHBondContact O-N 3.21Å
222	D	60	Low	62	Low	93 Å²	93	79.1 Å²	79.1	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-58.2	-47.9	178.7	-74.5	-17	0	0	0	112.1	D218 F224 V225 D226	D218-D222 PolarHBondContact O-N 3.29Å; D222-F224 PolarHBondContact O-N 2.94Å; D222-V225 PolarHBondContact O-N 3.13Å; D222-D226 PolarHBondContact O-N 3.31Å
223	D	66.3	Low	62	Low	100 Å²	100	78.2 Å²	78.2	54%	0.535	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-33	178.5	-71.5	-21	0	0	0	111.7	R219 F221	R219-D223 PolarHBondContact O-N 2.95Å; F221-D223 PolarHBondContact O-N 3.24Å
224	F	66.4	Low	62.4	Low	3 Å²	3	74.2 Å²	74.2	1%	0.013	37%	0.369	C	S	.	.	H	α-helix	trans	-71.7	-42.7	176.5	159.9	-98.9	0	0	0	112.3	F31 P32 N134 V137 F138 I141 H220 F221 D222 F228	F31-F224 HydrophobicContact CD1-CE1 4.43Å; F31-F224 HydrophobicContact CE1-CE1 4.22Å; P32-F224 HydrophobicContact CG-CZ 4.35Å; N134-F224 HydrophobicContact CB-CD2 4.4Å; N134-F224 HydrophobicContact CB-CE2 4.11Å; N134-F224 WeakPolarHBondContact O-CE2 3.47Å; V137-F224 HydrophobicContact CB-CD2 4.25Å; V137-F224 HydrophobicContact CG1-CB 4.12Å; V137-F224 HydrophobicContact CG1-CD2 4.14Å; V137-F224 HydrophobicContact CG1-CG 4.46Å; F138-F224 HydrophobicContact CB-CD2 4.48Å; F138-F224 HydrophobicContact CB-CE1 4.47Å; F138-F224 HydrophobicContact CB-CE2 3.76Å; F138-F224 HydrophobicContact CB-CZ 3.75Å; F138-F224 HydrophobicContact CD2-CD1 4.41Å; F138-F224 AromaticContact CD2-CE1 3.6Å; F138-F224 HydrophobicContact CD2-CE1 3.6Å; F138-F224 HydrophobicContact CD2-CE2 4.4Å; F138-F224 AromaticContact CD2-CZ 3.6Å; F138-F224 HydrophobicContact CD2-CZ 3.6Å; F138-F224 HydrophobicContact CE2-CE1 4.37Å; F138-F224 HydrophobicContact CG-CE1 4.47Å; F138-F224 HydrophobicContact CG-CZ 4.05Å; I141-F224 HydrophobicContact CD1-CB 3.99Å; I141-F224 HydrophobicContact CD1-CD1 4.29Å; I141-F224 HydrophobicContact CD1-CG 4.1Å; H220-F224 WeakPolarHBondContact O-CB 3.43Å; H220-F224 PolarHBondContact O-N 3.12Å; F221-F224 WeakPolarHBondContact O-CB 3.28Å; F221-F224 PolarHBondContact O-N 3.38Å; F221-F224 VanDerWaalsContact O-N 3.12Å; D222-F224 PolarHBondContact O-N 2.94Å; F224-F228 HydrophobicContact CE2-CB 4.38Å; F224-F228 HydrophobicContact CE2-CD2 4.37Å; F224-F228 HydrophobicContact CZ-CB 4.49Å; F224-F228 HydrophobicContact CZ-CD2 4.42Å; F224-F228 HydrophobicContact CZ-CG 4.46Å; F224-F228 WeakPolarHBondContact O-CB 3.47Å; F224-F228 PolarHBondContact O-N 3.47Å
225	V	59.8	Low	63	Low	31 Å²	31	72.1 Å²	72.1	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-46.2	-177.5	173.8	0	0	0	0	111.3	F31 F221 D222 F228 C229	F31-V225 HydrophobicContact CE1-CG2 3.72Å; F31-V225 HydrophobicContact CZ-CG1 4.14Å; F31-V225 HydrophobicContact CZ-CG2 3.71Å; F221-V225 HydrophobicContact CD1-CG2 4.01Å; F221-V225 HydrophobicContact CE1-CG2 3.66Å; F221-V225 HydrophobicContact CZ-CG2 3.97Å; F221-V225 WeakPolarHBondContact O-CG2 3.49Å; F221-V225 PolarHBondContact O-N 3.21Å; D222-V225 PolarHBondContact O-N 3.13Å; V225-F228 PolarHBondContact O-N 3.4Å; V225-C229 WeakPolarHBondContact O-CB 3.06Å; V225-C229 PolarHBondContact O-N 3.19Å; V225-C229 PolarHBondContact O-SG 3.16Å
226	D	64.2	Low	63.1	Low	114 Å²	114	63.8 Å²	63.8	61%	0.61	33%	0.333	S	S	*	.	H	α-helix	trans	-62.8	-49.5	-178.4	-78.2	-12.1	0	0	0	111.3	D222 F228 C229 D230	D222-D226 PolarHBondContact O-N 3.31Å; D226-F228 VanDerWaalsContact C-N 3.35Å; D226-F228 PolarHBondContact O-N 3.03Å; D226-C229 PolarHBondContact O-N 2.94Å; D226-D230 PolarHBondContact O-N 2.59Å; D226-D230 VanDerWaalsContact O-N 3.16Å
227	D	67.5	Low	63.5	Low	69 Å²	69	62.2 Å²	62.2	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-35.9	-179	-169	59	0	0	0	112.2	N134 N231	N134-D227 PolarHBondContact ND2-OD2 3.12Å; N134-D227 PolarHBondContact OD1-OD2 3.38Å; D227-N231 VanDerWaalsContact CG-ND2 3.27Å; D227-N231 WeakPolarHBondContact O-CB 3.31Å; D227-N231 PolarHBondContact O-N 3.34Å; D227-N231 PolarHBondContact O-ND2 2.96Å; D227-N231 PolarHBondContact OD1-ND2 3.47Å; D227-N231 VanDerWaalsContact OD1-ND2 3.09Å; D227-N231 PolarHBondContact OD2-ND2 3.39Å; D227-N231 VanDerWaalsContact OD2-ND2 3.13Å
228	F	62.3	Low	64	Low	9 Å²	9	60.6 Å²	60.6	4%	0.039	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.1	-176.4	-96.6	0	0	0	112	C30 L131 N134 F224 V225 D226 F232 P280 M283	C30-F228 WeakPolarHBondContact O-CE1 3.28Å; L131-F228 HydrophobicContact CD2-CD2 4.21Å; L131-F228 HydrophobicContact CD2-CE2 4.11Å; N134-F228 HydrophobicContact CB-CD2 4.05Å; F224-F228 HydrophobicContact CE2-CB 4.38Å; F224-F228 HydrophobicContact CE2-CD2 4.37Å; F224-F228 HydrophobicContact CZ-CB 4.49Å; F224-F228 HydrophobicContact CZ-CD2 4.42Å; F224-F228 HydrophobicContact CZ-CG 4.46Å; F224-F228 WeakPolarHBondContact O-CB 3.47Å; F224-F228 PolarHBondContact O-N 3.47Å; V225-F228 PolarHBondContact O-N 3.4Å; D226-F228 VanDerWaalsContact C-N 3.35Å; D226-F228 PolarHBondContact O-N 3.03Å; F228-F232 VanDerWaalsContact O-CB 3.28Å; F228-F232 WeakPolarHBondContact O-CB 3.31Å; F228-F232 PolarHBondContact O-N 3.42Å; F228-P280 HydrophobicContact CZ-CG 3.94Å; F228-M283 HydrophobicContact CE1-CE 3.66Å; F228-M283 HydrophobicContact CE1-SD 3.89Å; F228-M283 HydrophobicContact CZ-CE 3.94Å; F228-M283 HydrophobicContact CZ-SD 3.51Å; F228-M283 VanDerWaalsContact CZ-SD 3.51Å
229	C	60.4	Low	64.5	Low	46 Å²	46	56.4 Å²	56.4	31%	0.311	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-40.7	-178.3	-69.2	0	0	0	0	112.6	V225 D226 S233	V225-C229 WeakPolarHBondContact O-CB 3.06Å; V225-C229 PolarHBondContact O-N 3.19Å; V225-C229 PolarHBondContact O-SG 3.16Å; D226-C229 PolarHBondContact O-N 2.94Å; C229-S233 WeakPolarHBondContact O-CB 3.49Å; C229-S233 PolarHBondContact O-N 3.37Å; C229-S233 PolarHBondContact O-OG 3.19Å
230	D	64.6	Low	64.6	Low	118 Å²	118	54.3 Å²	54.3	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-65.5	-48.7	179.1	-83.6	-8.1	0	0	0	111.9	D226 F232 S233 L234	D226-D230 PolarHBondContact O-N 2.59Å; D226-D230 VanDerWaalsContact O-N 3.16Å; D230-F232 VanDerWaalsContact C-N 3.33Å; D230-F232 PolarHBondContact O-N 3.17Å; D230-S233 PolarHBondContact O-N 2.95Å; D230-L234 PolarHBondContact O-N 3.03Å; D230-L234 VanDerWaalsContact O-N 3.16Å
231	N	66.6	Low	64.7	Low	6 Å²	6	50 Å²	50	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-36.8	179.7	-72.2	-61.1	0	0	0	111.8	R130 L131 D227 F235	R130-N231 WeakPolarHBondContact CD-OD1 3.38Å; L131-N231 HydrophobicContact CD2-CB 4.23Å; L131-N231 HydrophobicContact CG-CB 4.49Å; D227-N231 VanDerWaalsContact CG-ND2 3.27Å; D227-N231 WeakPolarHBondContact O-CB 3.31Å; D227-N231 PolarHBondContact O-N 3.34Å; D227-N231 PolarHBondContact O-ND2 2.96Å; D227-N231 PolarHBondContact OD1-ND2 3.47Å; D227-N231 VanDerWaalsContact OD1-ND2 3.09Å; D227-N231 PolarHBondContact OD2-ND2 3.39Å; D227-N231 VanDerWaalsContact OD2-ND2 3.13Å; N231-F235 VanDerWaalsContact O-CB 3.32Å; N231-F235 WeakPolarHBondContact O-CB 3.29Å; N231-F235 PolarHBondContact O-N 3.04Å
232	F	61.9	Low	65.1	Low	54 Å²	54	47.2 Å²	47.2	24%	0.237	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-44.5	176.3	-178.9	-102.8	0	0	0	112.6	L131 F228 D230 L234 F235 A236 M283	L131-F232 HydrophobicContact CD2-CB 4.43Å; F228-F232 VanDerWaalsContact O-CB 3.28Å; F228-F232 WeakPolarHBondContact O-CB 3.31Å; F228-F232 PolarHBondContact O-N 3.42Å; D230-F232 VanDerWaalsContact C-N 3.33Å; D230-F232 PolarHBondContact O-N 3.17Å; F232-L234 VanDerWaalsContact C-N 3.33Å; F232-L234 PolarHBondContact O-N 2.66Å; F232-F235 WeakPolarHBondContact O-CB 3.37Å; F232-F235 PolarHBondContact O-N 3.08Å; F232-A236 PolarHBondContact O-N 3.06Å; F232-M283 HydrophobicContact CB-CE 4.28Å; F232-M283 HydrophobicContact CD1-CE 3.54Å; F232-M283 HydrophobicContact CD2-CE 3.26Å; F232-M283 HydrophobicContact CD2-CG 4.33Å; F232-M283 HydrophobicContact CD2-SD 3.62Å; F232-M283 HydrophobicContact CE1-CE 3.55Å; F232-M283 HydrophobicContact CE2-CE 3.28Å; F232-M283 HydrophobicContact CE2-CG 3.63Å; F232-M283 HydrophobicContact CE2-SD 3.54Å; F232-M283 VanDerWaalsContact CE2-SD 3.54Å; F232-M283 HydrophobicContact CG-CE 3.4Å; F232-M283 HydrophobicContact CG-SD 4.32Å; F232-M283 HydrophobicContact CZ-CE 3.43Å; F232-M283 VanDerWaalsContact CZ-CE 3.43Å; F232-M283 HydrophobicContact CZ-CG 3.99Å; F232-M283 HydrophobicContact CZ-SD 4.18Å
233	S	61.4	Low	65.3	Low	62 Å²	62	44.2 Å²	44.2	43%	0.434	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-43.7	179.2	-61.3	0	0	0	0	111.6	C229 D230 A236 C237	C229-S233 WeakPolarHBondContact O-CB 3.49Å; C229-S233 PolarHBondContact O-N 3.37Å; C229-S233 PolarHBondContact O-OG 3.19Å; D230-S233 PolarHBondContact O-N 2.95Å; S233-A236 PolarHBondContact O-N 3.27Å; S233-C237 PolarHBondContact O-N 3.49Å; S233-C237 VanDerWaalsContact O-N 3.15Å; S233-C237 PolarHBondContact O-SG 3.38Å
234	L	68.4	Low	65.2	Low	12 Å²	12	45.9 Å²	45.9	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-47.3	175	177.2	63.7	0	0	0	112.1	L106 V123 C127 D230 F232 A236 C237 L238	L106-L234 HydrophobicContact CD1-CD1 3.64Å; L106-L234 HydrophobicContact CD1-CD2 3.37Å; L106-L234 HydrophobicContact CD1-CG 4.07Å; L106-L234 HydrophobicContact CD2-CD2 4.03Å; L106-L234 HydrophobicContact CG-CD2 4.26Å; V123-L234 HydrophobicContact CG1-CD2 4.21Å; C127-L234 WeakPolarHBondContact SG-CD2 3.06Å; D230-L234 PolarHBondContact O-N 3.03Å; D230-L234 VanDerWaalsContact O-N 3.16Å; F232-L234 VanDerWaalsContact C-N 3.33Å; F232-L234 PolarHBondContact O-N 2.66Å; L234-A236 VanDerWaalsContact C-N 3.35Å; L234-A236 PolarHBondContact O-N 3.48Å; L234-C237 PolarHBondContact O-N 3.29Å; L234-L238 HydrophobicContact CD1-CD1 3.97Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CG-CD1 3.96Å; L234-L238 WeakPolarHBondContact O-CG 3.15Å; L234-L238 PolarHBondContact O-N 3.26Å
235	F	67.7	Low	65.2	Low	10 Å²	10	47.7 Å²	47.7	4%	0.044	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-50.7	177.3	176.2	-81.9	0	0	0	110.8	L124 C127 I128 L131 N231 F232 C237 L238 V239 V287 L291	L124-F235 HydrophobicContact CD2-CD2 4.38Å; L124-F235 HydrophobicContact CD2-CE2 4.44Å; C127-F235 HydrophobicContact CB-CB 4.06Å; C127-F235 HydrophobicContact CB-CD2 3.96Å; I128-F235 HydrophobicContact CD1-CE2 4.24Å; I128-F235 HydrophobicContact CG1-CD2 4.2Å; I128-F235 HydrophobicContact CG1-CE2 3.7Å; L131-F235 HydrophobicContact CD1-CB 4.34Å; L131-F235 HydrophobicContact CD1-CD2 4.2Å; L131-F235 HydrophobicContact CD1-CG 4.22Å; N231-F235 VanDerWaalsContact O-CB 3.32Å; N231-F235 WeakPolarHBondContact O-CB 3.29Å; N231-F235 PolarHBondContact O-N 3.04Å; F232-F235 WeakPolarHBondContact O-CB 3.37Å; F232-F235 PolarHBondContact O-N 3.08Å; F235-C237 PolarHBondContact O-N 3.07Å; F235-L238 PolarHBondContact O-N 3.36Å; F235-V239 HydrophobicContact CD1-CG2 4.07Å; F235-V239 HydrophobicContact CE1-CG2 3.51Å; F235-V239 HydrophobicContact CE2-CG2 4.21Å; F235-V239 HydrophobicContact CZ-CG2 3.63Å; F235-V239 WeakPolarHBondContact O-CG2 3.5Å; F235-V239 PolarHBondContact O-N 2.9Å; F235-V287 HydrophobicContact CD1-CG1 4.05Å; F235-V287 HydrophobicContact CE1-CG1 3.23Å; F235-V287 HydrophobicContact CZ-CG1 4.01Å; F235-L291 HydrophobicContact CE2-CD1 4.39Å; F235-L291 HydrophobicContact CE2-CD2 4.06Å; F235-L291 HydrophobicContact CZ-CB 4.31Å; F235-L291 HydrophobicContact CZ-CD1 4.1Å; F235-L291 HydrophobicContact CZ-CD2 3.94Å; F235-L291 HydrophobicContact CZ-CG 4.33Å
236	A	61.3	Low	65	Low	33 Å²	33	47.4 Å²	47.4	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-43.9	-179.2	0	0	0	0	0	112.3	F232 S233 L234 Q240	F232-A236 PolarHBondContact O-N 3.06Å; S233-A236 PolarHBondContact O-N 3.27Å; L234-A236 VanDerWaalsContact C-N 3.35Å; L234-A236 PolarHBondContact O-N 3.48Å; A236-Q240 WeakPolarHBondContact O-CG 3.38Å; A236-Q240 PolarHBondContact O-N 3.3Å; A236-Q240 VanDerWaalsContact O-N 3.15Å
237	C	67.4	Low	64.3	Low	46 Å²	46	48 Å²	48	31%	0.311	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-43.1	176.5	-74.5	0	0	0	0	113	I112 S233 L234 F235 Q240 E241	I112-C237 HydrophobicContact CD1-CB 4.16Å; S233-C237 PolarHBondContact O-N 3.49Å; S233-C237 VanDerWaalsContact O-N 3.15Å; S233-C237 PolarHBondContact O-SG 3.38Å; L234-C237 PolarHBondContact O-N 3.29Å; F235-C237 PolarHBondContact O-N 3.07Å; C237-Q240 PolarHBondContact O-N 2.87Å; C237-E241 PolarHBondContact O-N 3.46Å; C237-E241 VanDerWaalsContact O-N 3.09Å
238	L	72	Confident	63.5	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.8	-38.9	-178.3	-70.4	170.5	0	0	0	112.3	I112 W115 I120 V123 L124 L234 F235 E241 Y242	I112-L238 HydrophobicContact CG2-CD2 3.76Å; W115-L238 HydrophobicContact CE3-CD2 3.91Å; W115-L238 HydrophobicContact CH2-CD2 4.42Å; W115-L238 HydrophobicContact CZ3-CD1 4.48Å; W115-L238 HydrophobicContact CZ3-CD2 3.54Å; I120-L238 HydrophobicContact CG2-CD2 4.45Å; V123-L238 HydrophobicContact CB-CD1 3.82Å; V123-L238 HydrophobicContact CG1-CD1 3.4Å; V123-L238 VanDerWaalsContact CG1-CD1 3.4Å; L124-L238 HydrophobicContact CD2-CB 3.48Å; L124-L238 VanDerWaalsContact CD2-CB 3.48Å; L124-L238 HydrophobicContact CD2-CD1 4.42Å; L124-L238 HydrophobicContact CG-CB 3.83Å; L124-L238 HydrophobicContact CG-CD1 4.44Å; L234-L238 HydrophobicContact CD1-CD1 3.97Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CG-CD1 3.96Å; L234-L238 WeakPolarHBondContact O-CG 3.15Å; L234-L238 PolarHBondContact O-N 3.26Å; F235-L238 PolarHBondContact O-N 3.36Å; L238-E241 PolarHBondContact O-N 2.73Å; L238-Y242 WeakPolarHBondContact O-CB 3.31Å; L238-Y242 PolarHBondContact O-N 3.3Å
239	V	66.8	Low	63	Low	16 Å²	16	56 Å²	56	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-44.9	175.1	172.9	0	0	0	0	110.8	L124 F235 E241 Y242 S243 L291	L124-V239 HydrophobicContact CD2-CG2 3.64Å; F235-V239 HydrophobicContact CD1-CG2 4.07Å; F235-V239 HydrophobicContact CE1-CG2 3.51Å; F235-V239 HydrophobicContact CE2-CG2 4.21Å; F235-V239 HydrophobicContact CZ-CG2 3.63Å; F235-V239 WeakPolarHBondContact O-CG2 3.5Å; F235-V239 PolarHBondContact O-N 2.9Å; V239-E241 PolarHBondContact O-N 2.63Å; V239-Y242 PolarHBondContact O-N 2.85Å; V239-S243 VanDerWaalsContact O-CB 3.26Å; V239-S243 WeakPolarHBondContact O-CB 3.37Å; V239-S243 PolarHBondContact O-N 3.28Å; V239-S243 PolarHBondContact O-OG 3.48Å; V239-L291 HydrophobicContact CG2-CD1 3.53Å
240	Q	64.9	Low	62.3	Low	140 Å²	140	60.4 Å²	60.4	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-60.5	-45.4	176.7	-75	179.6	-2.2	0	0	111.9	A236 C237 S243 R244	A236-Q240 WeakPolarHBondContact O-CG 3.38Å; A236-Q240 PolarHBondContact O-N 3.3Å; A236-Q240 VanDerWaalsContact O-N 3.15Å; C237-Q240 PolarHBondContact O-N 2.87Å; Q240-S243 PolarHBondContact O-N 3.37Å; Q240-R244 WeakPolarHBondContact O-CB 3.09Å; Q240-R244 PolarHBondContact O-N 3.07Å
241	E	68.5	Low	61.2	Low	21 Å²	21	63.2 Å²	63.2	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-69.5	-40.5	-179.3	179.7	60.7	-173.4	0	0	112.6	I112 I120 C237 L238 V239 R244 R245	I112-E241 HydrophobicContact CG2-CB 4.1Å; I112-E241 HydrophobicContact CG2-CG 3.91Å; I120-E241 HydrophobicContact CD1-CG 4.22Å; C237-E241 PolarHBondContact O-N 3.46Å; C237-E241 VanDerWaalsContact O-N 3.09Å; L238-E241 PolarHBondContact O-N 2.73Å; V239-E241 PolarHBondContact O-N 2.63Å; E241-R244 PolarHBondContact O-N 2.85Å; E241-R244 IonicContact OE1-NH2 2.78Å; E241-R244 PolarHBondContact OE1-NH2 3.32Å; E241-R244 VanDerWaalsContact OE1-NH2 3.15Å; E241-R244 IonicContact OE2-CZ 2.7Å; E241-R244 VanDerWaalsContact OE2-CZ 3.25Å; E241-R244 IonicContact OE2-NE 2.71Å; E241-R244 PolarHBondContact OE2-NE 2.88Å; E241-R244 IonicContact OE2-NH2 3.89Å; E241-R244 PolarHBondContact OE2-NH2 3.5Å; E241-R245 WeakPolarHBondContact O-CG 3.27Å; E241-R245 PolarHBondContact O-N 3.49Å; E241-R245 IonicContact OE1-CZ 3.15Å; E241-R245 IonicContact OE1-NE 3.5Å; E241-R245 PolarHBondContact OE1-NE 2.97Å; E241-R245 IonicContact OE1-NH2 2.97Å; E241-R245 PolarHBondContact OE1-NH2 3.43Å; E241-R245 VanDerWaalsContact OE1-NH2 3.16Å
242	Y	69.5	Low	60	Low	9 Å²	9	66.5 Å²	66.5	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-44	175.3	-169	-102.2	0	0	0	111.3	I120 I121 L124 L238 V239 R244 R245 S246 V294 A298	I120-Y242 HydrophobicContact CB-CD2 4.38Å; I120-Y242 HydrophobicContact CG2-CD2 3.75Å; I120-Y242 HydrophobicContact CG2-CG 4.19Å; I121-Y242 HydrophobicContact CD1-CE2 4.05Å; I121-Y242 HydrophobicContact CG1-CD2 4.48Å; I121-Y242 HydrophobicContact CG1-CE2 3.77Å; L124-Y242 HydrophobicContact CD1-CG 4.41Å; L238-Y242 WeakPolarHBondContact O-CB 3.31Å; L238-Y242 PolarHBondContact O-N 3.3Å; V239-Y242 PolarHBondContact O-N 2.85Å; Y242-R244 PolarHBondContact O-N 3.48Å; Y242-R245 PolarHBondContact O-N 2.99Å; Y242-S246 PolarHBondContact O-N 3.07Å; Y242-V294 HydrophobicContact CD1-CG1 3.58Å; Y242-V294 HydrophobicContact CE1-CG1 4.02Å; Y242-A298 HydrophobicContact CE1-CB 3.93Å
243	S	62.6	Low	59.1	Low	30 Å²	30	69.6 Å²	69.6	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-48.7	176.3	-59.5	0	0	0	0	111.4	V239 Q240 R245 S246 V294	V239-S243 VanDerWaalsContact O-CB 3.26Å; V239-S243 WeakPolarHBondContact O-CB 3.37Å; V239-S243 PolarHBondContact O-N 3.28Å; V239-S243 PolarHBondContact O-OG 3.48Å; Q240-S243 PolarHBondContact O-N 3.37Å; S243-R245 VanDerWaalsContact C-N 3.26Å; S243-R245 PolarHBondContact O-N 3.24Å; S243-S246 PolarHBondContact O-N 3.17Å; S243-S246 PolarHBondContact O-OG 3.37Å; S243-V294 VanDerWaalsContact OG-CG2 3.27Å; S243-V294 WeakPolarHBondContact OG-CG2 3.32Å
244	R	66	Low	58.6	Low	135 Å²	135	72.1 Å²	72.1	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-31.4	179.6	-168.4	178.6	73.5	123.2	4.2	113.5	Q240 E241 Y242 N248	Q240-R244 WeakPolarHBondContact O-CB 3.09Å; Q240-R244 PolarHBondContact O-N 3.07Å; E241-R244 PolarHBondContact O-N 2.85Å; E241-R244 IonicContact OE1-NH2 2.78Å; E241-R244 PolarHBondContact OE1-NH2 3.32Å; E241-R244 VanDerWaalsContact OE1-NH2 3.15Å; E241-R244 IonicContact OE2-CZ 2.7Å; E241-R244 VanDerWaalsContact OE2-CZ 3.25Å; E241-R244 IonicContact OE2-NE 2.71Å; E241-R244 PolarHBondContact OE2-NE 2.88Å; E241-R244 IonicContact OE2-NH2 3.89Å; E241-R244 PolarHBondContact OE2-NH2 3.5Å; Y242-R244 PolarHBondContact O-N 3.48Å; R244-N248 PolarHBondContact O-ND2 3.38Å; R244-N248 VanDerWaalsContact O-ND2 3.15Å
245	R	65.7	Low	57.8	Low	40 Å²	40	77.4 Å²	77.4	15%	0.151	41%	0.411	C	S	.	.	H	α-helix	trans	-77.5	-31.9	178.9	-70.7	170.8	179.1	-150.3	8	113.1	I112 T113 W115 D117 E241 Y242 S243 E247 N248	I112-R245 PolarHBondContact O-NH2 2.99Å; T113-R245 VanDerWaalsContact C-NH2 3.32Å; T113-R245 PolarHBondContact O-NH2 2.85Å; T113-R245 VanDerWaalsContact O-NH2 3.14Å; W115-R245 PolarHBondContact O-NH1 3.28Å; W115-R245 PolarHBondContact O-NH2 3.33Å; D117-R245 IonicContact OD1-NH1 2.89Å; D117-R245 PolarHBondContact OD1-NH1 3.43Å; E241-R245 WeakPolarHBondContact O-CG 3.27Å; E241-R245 PolarHBondContact O-N 3.49Å; E241-R245 IonicContact OE1-CZ 3.15Å; E241-R245 IonicContact OE1-NE 3.5Å; E241-R245 PolarHBondContact OE1-NE 2.97Å; E241-R245 IonicContact OE1-NH2 2.97Å; E241-R245 PolarHBondContact OE1-NH2 3.43Å; E241-R245 VanDerWaalsContact OE1-NH2 3.16Å; Y242-R245 PolarHBondContact O-N 2.99Å; S243-R245 VanDerWaalsContact C-N 3.26Å; S243-R245 PolarHBondContact O-N 3.24Å; R245-E247 VanDerWaalsContact C-N 3.27Å; R245-E247 PolarHBondContact O-N 2.71Å; R245-N248 PolarHBondContact O-N 3.17Å
246	S	56.1	Low	57.2	Low	25 Å²	25	78.2 Å²	78.2	18%	0.175	41%	0.414	C	S	.	.	H	α-helix	trans	-68.3	-23.1	-179.3	78.5	0	0	0	0	113.7	Y242 S243 R301	Y242-S246 PolarHBondContact O-N 3.07Å; S243-S246 PolarHBondContact O-N 3.17Å; S243-S246 PolarHBondContact O-OG 3.37Å; S246-R301 PolarHBondContact O-NH1 3.45Å
247	E	49.4	Very low	57.4	Low	127 Å²	127	81.8 Å²	81.8	59%	0.593	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-23	179.5	-67.7	-176.4	155.1	0	0	113.2	R245	R245-E247 VanDerWaalsContact C-N 3.27Å; R245-E247 PolarHBondContact O-N 2.71Å
248	N	49.9	Very low	57.3	Low	133 Å²	133	85.6 Å²	85.6	71%	0.711	44%	0.442	S	S	*	.	S	Bend	trans	-98.3	-2.9	-170.7	-72.9	-51.8	0	0	0	115	R244 R245	R244-N248 PolarHBondContact O-ND2 3.38Å; R244-N248 VanDerWaalsContact O-ND2 3.15Å; R245-N248 PolarHBondContact O-N 3.17Å
249	R	51.3	Low	57.3	Low	112 Å²	112	87.9 Å²	87.9	42%	0.423	46%	0.461	S	S	.	.			trans	-101.8	28.3	-174.6	-72.6	-163.8	-173.5	167.8	18.5	115.8	D117 Q251 R302	D117-R249 IonicContact OD1-NH2 3.48Å; D117-R249 PolarHBondContact OD1-NH2 3.26Å; D117-R249 IonicContact OD2-CZ 3.32Å; D117-R249 IonicContact OD2-NH1 3.26Å; D117-R249 PolarHBondContact OD2-NH1 3.21Å; D117-R249 IonicContact OD2-NH2 3.16Å; D117-R249 PolarHBondContact OD2-NH2 2.77Å; R249-Q251 PolarHBondContact O-N 3.4Å; R249-R302 VanDerWaalsContact NH1-CZ 3.29Å
250	I	47.4	Very low	57.3	Low	140 Å²	140	88.1 Å²	88.1	72%	0.718	46%	0.461	S	S	*	.			trans	-67.7	-1.5	-177.9	-61.2	174.5	0	0	0	113.3
251	Q	40	Very low	57.4	Low	176 Å²	176	83.7 Å²	83.7	82%	0.822	44%	0.439	S	S	*	.	S	Bend	trans	-128.2	129.2	-176.2	-72.1	177.5	-15.5	0	0	112.6	R249	R249-Q251 PolarHBondContact O-N 3.4Å
252	A	42.3	Very low	57.5	Low	75 Å²	75	85.6 Å²	85.6	62%	0.62	46%	0.455	S	S	*	.	S	Bend	trans	88.2	98.9	164.9	0	0	0	0	0	119	L254	A252-L254 VanDerWaalsContact C-N 3.35Å; A252-L254 PolarHBondContact O-N 3.4Å
253	S	43.6	Very low	57.9	Low	119 Å²	119	88.2 Å²	88.2	83%	0.832	47%	0.467	S	S	*	.			trans	27.1	42.4	135.1	72.1	0	0	0	0	121.4
254	L	49.6	Very low	58.2	Low	115 Å²	115	87 Å²	87	60%	0.602	46%	0.458	S	S	*	.			trans	-99.4	106.2	176.6	-77.9	153.5	0	0	0	110.4	A252 Y256	A252-L254 VanDerWaalsContact C-N 3.35Å; A252-L254 PolarHBondContact O-N 3.4Å; L254-Y256 PolarHBondContact O-N 3.38Å
255	T	51.6	Low	58.4	Low	124 Å²	124	82.1 Å²	82.1	76%	0.761	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-58	125.9	161.5	41.7	0	0	0	0	108.8
256	Y	56.3	Low	58.8	Low	26 Å²	26	83 Å²	83	10%	0.102	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-59.9	141.1	171	-99.4	-111.4	0	0	0	110.1	L254 E260 L264 R302 Y303	L254-Y256 PolarHBondContact O-N 3.38Å; Y256-E260 HydrophobicContact CD1-CB 3.42Å; Y256-E260 VanDerWaalsContact CD1-CB 3.42Å; Y256-E260 HydrophobicContact CD1-CG 3.37Å; Y256-E260 VanDerWaalsContact CD1-OE2 3.24Å; Y256-E260 WeakPolarHBondContact CD1-OE2 3.47Å; Y256-E260 HydrophobicContact CE1-CB 3.81Å; Y256-E260 HydrophobicContact CE1-CG 3.17Å; Y256-E260 WeakPolarHBondContact CE1-OE1 3.4Å; Y256-E260 WeakPolarHBondContact CE1-OE2 3.43Å; Y256-E260 HydrophobicContact CG-CB 4.45Å; Y256-E260 VanDerWaalsContact CZ-OE1 3.22Å; Y256-E260 PolarHBondContact OH-OE1 3.4Å; Y256-L264 HydrophobicContact CD1-CD1 4Å; Y256-L264 HydrophobicContact CE1-CD1 3.23Å; Y256-L264 HydrophobicContact CE1-CG 4.29Å; Y256-R302 HydrophobicContact CD2-CG 4.16Å; Y256-R302 HydrophobicContact CE2-CB 3.85Å; Y256-R302 HydrophobicContact CE2-CG 3.52Å; Y256-R302 PolarHBondContact OH-NH1 2.87Å; Y256-Y303 WeakPolarHBondContact CB-OH 3.3Å; Y256-Y303 WeakPolarHBondContact CD1-OH 3.31Å; Y256-Y303 HydrophobicContact CD2-CE1 4.47Å; Y256-Y303 HydrophobicContact CD2-CE2 4.21Å; Y256-Y303 AromaticContact CD2-CZ 3.98Å; Y256-Y303 HydrophobicContact CE2-CE2 4.34Å; Y256-Y303 HydrophobicContact CG-CE1 4.41Å; Y256-Y303 HydrophobicContact CG-CE2 4.39Å; Y256-Y303 AromaticContact CG-CZ 3.82Å
257	D	64.7	Low	59.6	Low	108 Å²	108	81.9 Å²	81.9	58%	0.578	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-64.9	140.4	162.1	-172.9	-4.4	0	0	0	108.3	A259 E260 K261	D257-A259 PolarHBondContact O-N 3.3Å; D257-A259 VanDerWaalsContact O-N 3.1Å; D257-A259 PolarHBondContact OD1-N 2.84Å; D257-E260 HydrophobicContact CB-CB 4.43Å; D257-E260 PolarHBondContact O-N 2.95Å; D257-K261 PolarHBondContact O-N 3.07Å
258	E	66	Low	60.5	Low	127 Å²	127	76.3 Å²	76.3	59%	0.593	42%	0.415	S	S	*	.	H	α-helix	trans	-54.9	-28.3	175.2	-82.4	-68.5	154.4	0	0	111.2	K261 S262	E258-K261 PolarHBondContact O-N 3.31Å; E258-K261 IonicContact OE1-NZ 3.11Å; E258-K261 PolarHBondContact OE1-NZ 3.17Å; E258-K261 IonicContact OE2-NZ 2.7Å; E258-S262 WeakPolarHBondContact O-CB 3.39Å; E258-S262 PolarHBondContact O-N 3.47Å
259	A	70.7	Confident	61.4	Low	47 Å²	47	74.6 Å²	74.6	39%	0.388	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-44	171.7	0	0	0	0	0	113.1	D257 K261 S262 K263	D257-A259 PolarHBondContact O-N 3.3Å; D257-A259 VanDerWaalsContact O-N 3.1Å; D257-A259 PolarHBondContact OD1-N 2.84Å; A259-K261 VanDerWaalsContact C-N 3.35Å; A259-S262 PolarHBondContact O-N 3.48Å; A259-K263 VanDerWaalsContact O-CG 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.31Å; A259-K263 PolarHBondContact O-N 3.09Å
260	E	67.5	Low	62.2	Low	22 Å²	22	69.6 Å²	69.6	10%	0.103	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-34.4	179.6	-160.1	-164.2	172.1	0	0	110	V118 Y256 D257 L264 R302	V118-E260 HydrophobicContact CG2-CB 3.87Å; V118-E260 HydrophobicContact CG2-CG 3.75Å; Y256-E260 HydrophobicContact CD1-CB 3.42Å; Y256-E260 VanDerWaalsContact CD1-CB 3.42Å; Y256-E260 HydrophobicContact CD1-CG 3.37Å; Y256-E260 VanDerWaalsContact CD1-OE2 3.24Å; Y256-E260 WeakPolarHBondContact CD1-OE2 3.47Å; Y256-E260 HydrophobicContact CE1-CB 3.81Å; Y256-E260 HydrophobicContact CE1-CG 3.17Å; Y256-E260 WeakPolarHBondContact CE1-OE1 3.4Å; Y256-E260 WeakPolarHBondContact CE1-OE2 3.43Å; Y256-E260 HydrophobicContact CG-CB 4.45Å; Y256-E260 VanDerWaalsContact CZ-OE1 3.22Å; Y256-E260 PolarHBondContact OH-OE1 3.4Å; D257-E260 HydrophobicContact CB-CB 4.43Å; D257-E260 PolarHBondContact O-N 2.95Å; E260-L264 WeakPolarHBondContact O-CB 3.38Å; E260-L264 WeakPolarHBondContact O-CG 3.1Å; E260-L264 PolarHBondContact O-N 3.31Å; E260-R302 IonicContact OE1-CZ 2.66Å; E260-R302 IonicContact OE1-NH1 3.64Å; E260-R302 IonicContact OE1-NH2 3.47Å; E260-R302 PolarHBondContact OE1-NH2 3.23Å; E260-R302 IonicContact OE2-NH2 2.73Å
261	K	66.1	Low	63.1	Low	46 Å²	46	63 Å²	63	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-49.9	170.9	-178.3	-178.6	168.7	-173.4	0	112.2	D257 E258 A259 K263 L264 M265 Y303 I311	D257-K261 PolarHBondContact O-N 3.07Å; E258-K261 PolarHBondContact O-N 3.31Å; E258-K261 IonicContact OE1-NZ 3.11Å; E258-K261 PolarHBondContact OE1-NZ 3.17Å; E258-K261 IonicContact OE2-NZ 2.7Å; A259-K261 VanDerWaalsContact C-N 3.35Å; K261-K263 VanDerWaalsContact C-N 3.31Å; K261-K263 PolarHBondContact O-N 2.7Å; K261-L264 PolarHBondContact O-N 3.02Å; K261-M265 WeakPolarHBondContact O-CG 3.5Å; K261-M265 PolarHBondContact O-N 3.41Å; K261-Y303 WeakPolarHBondContact CB-OH 3.1Å; K261-I311 HydrophobicContact CD-CD1 4.18Å; K261-I311 HydrophobicContact CG-CD1 4.07Å
262	S	71.6	Confident	64.1	Low	62 Å²	62	54.9 Å²	54.9	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-42.5	177.8	-174.1	0	0	0	0	111.4	E258 A259 M265 D266	E258-S262 WeakPolarHBondContact O-CB 3.39Å; E258-S262 PolarHBondContact O-N 3.47Å; A259-S262 PolarHBondContact O-N 3.48Å; S262-M265 WeakPolarHBondContact O-CB 3.39Å; S262-M265 PolarHBondContact O-N 2.97Å; S262-D266 VanDerWaalsContact O-CG 3.26Å; S262-D266 PolarHBondContact O-N 3.44Å
263	K	76.7	Confident	65.1	Low	64 Å²	64	53.9 Å²	53.9	28%	0.278	31%	0.309	S	S	.	.	H	α-helix	trans	-70.9	-36.4	-179.8	-68.3	-61.3	177.2	-163.8	0	113.4	V118 I121 E122 A259 K261 M265 D266 L267	V118-K263 HydrophobicContact CG1-CG 4.12Å; I121-K263 VanDerWaalsContact CG2-C 3.43Å; I121-K263 HydrophobicContact CG2-CB 3.75Å; I121-K263 WeakPolarHBondContact CG2-O 3.14Å; E122-K263 HydrophobicContact CG-CD 3.78Å; E122-K263 HydrophobicContact CG-CG 4.3Å; E122-K263 WeakPolarHBondContact OE1-CE 3.4Å; A259-K263 VanDerWaalsContact O-CG 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.31Å; A259-K263 PolarHBondContact O-N 3.09Å; K261-K263 VanDerWaalsContact C-N 3.31Å; K261-K263 PolarHBondContact O-N 2.7Å; K263-M265 VanDerWaalsContact C-N 3.3Å; K263-M265 PolarHBondContact O-N 3.49Å; K263-D266 WeakPolarHBondContact CD-OD2 3.2Å; K263-D266 IonicContact NZ-OD2 2.72Å; K263-D266 PolarHBondContact NZ-OD2 3.38Å; K263-D266 PolarHBondContact O-N 2.84Å; K263-L267 WeakPolarHBondContact O-CB 3.16Å; K263-L267 PolarHBondContact O-N 2.87Å
264	L	70	Confident	65.8	Low	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-41.1	170.2	-86.3	171.3	0	0	0	111.9	I121 Y256 E260 K261 L267 M268 V295 Y303	I121-L264 HydrophobicContact CD1-CD2 3.85Å; I121-L264 HydrophobicContact CD1-CG 3.87Å; I121-L264 HydrophobicContact CG1-CD2 4.49Å; Y256-L264 HydrophobicContact CD1-CD1 4Å; Y256-L264 HydrophobicContact CE1-CD1 3.23Å; Y256-L264 HydrophobicContact CE1-CG 4.29Å; E260-L264 WeakPolarHBondContact O-CB 3.38Å; E260-L264 WeakPolarHBondContact O-CG 3.1Å; E260-L264 PolarHBondContact O-N 3.31Å; K261-L264 PolarHBondContact O-N 3.02Å; L264-L267 PolarHBondContact O-N 3.04Å; L264-M268 WeakPolarHBondContact O-CG 3.19Å; L264-M268 PolarHBondContact O-N 2.89Å; L264-V295 HydrophobicContact CD2-CG1 4.39Å; L264-Y303 HydrophobicContact CD1-CE2 4.37Å
265	M	69	Low	66.2	Low	33 Å²	33	47 Å²	47	16%	0.163	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-46.1	174.9	-69.5	-67.5	-74.7	0	0	111.5	K261 S262 K263 L267 M268 I269 I311 T314 I315	K261-M265 WeakPolarHBondContact O-CG 3.5Å; K261-M265 PolarHBondContact O-N 3.41Å; S262-M265 WeakPolarHBondContact O-CB 3.39Å; S262-M265 PolarHBondContact O-N 2.97Å; K263-M265 VanDerWaalsContact C-N 3.3Å; K263-M265 PolarHBondContact O-N 3.49Å; M265-L267 VanDerWaalsContact C-N 3.28Å; M265-L267 PolarHBondContact O-N 2.68Å; M265-M268 PolarHBondContact O-N 3.17Å; M265-I269 WeakPolarHBondContact O-CB 3.43Å; M265-I269 VanDerWaalsContact O-CG1 3.27Å; M265-I269 WeakPolarHBondContact O-CG1 3.26Å; M265-I269 PolarHBondContact O-N 3.02Å; M265-I311 HydrophobicContact CE-CG2 4.46Å; M265-I311 HydrophobicContact SD-CG2 3.47Å; M265-I311 WeakPolarHBondContact SD-CG2 3.47Å; M265-T314 HydrophobicContact CE-CG2 3.81Å; M265-I315 HydrophobicContact CE-CD1 4.41Å; M265-I315 HydrophobicContact CE-CG1 3.73Å; M265-I315 HydrophobicContact SD-CD1 3.79Å; M265-I315 HydrophobicContact SD-CG1 3.75Å
266	D	74.5	Confident	66.1	Low	59 Å²	59	46.2 Å²	46.2	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-56.4	-44	175.2	-64.5	-15.8	0	0	0	111	S262 K263 I269 A270	S262-D266 VanDerWaalsContact O-CG 3.26Å; S262-D266 PolarHBondContact O-N 3.44Å; K263-D266 WeakPolarHBondContact CD-OD2 3.2Å; K263-D266 IonicContact NZ-OD2 2.72Å; K263-D266 PolarHBondContact NZ-OD2 3.38Å; K263-D266 PolarHBondContact O-N 2.84Å; D266-I269 PolarHBondContact O-N 3.47Å; D266-A270 VanDerWaalsContact O-CB 3.26Å; D266-A270 WeakPolarHBondContact O-CB 3.29Å; D266-A270 PolarHBondContact O-N 3.4Å
267	L	73.3	Confident	65.8	Low	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-39.3	177.5	179	64.5	0	0	0	112.5	I121 L124 T125 I128 K263 L264 M265 A270 A271 V295	I121-L267 HydrophobicContact CB-CD2 4.36Å; I121-L267 HydrophobicContact CG1-CD2 4.14Å; I121-L267 HydrophobicContact CG2-CB 3.73Å; I121-L267 HydrophobicContact CG2-CD2 3.92Å; I121-L267 HydrophobicContact CG2-CG 4.41Å; L124-L267 HydrophobicContact CB-CD1 3.76Å; L124-L267 HydrophobicContact CD1-CD2 4.38Å; T125-L267 WeakPolarHBondContact OG1-CA 3.44Å; I128-L267 HydrophobicContact CD1-CD1 3.86Å; K263-L267 WeakPolarHBondContact O-CB 3.16Å; K263-L267 PolarHBondContact O-N 2.87Å; L264-L267 PolarHBondContact O-N 3.04Å; M265-L267 VanDerWaalsContact C-N 3.28Å; M265-L267 PolarHBondContact O-N 2.68Å; L267-A270 PolarHBondContact O-N 3.47Å; L267-A271 WeakPolarHBondContact O-CB 3.47Å; L267-A271 PolarHBondContact O-N 2.81Å; L267-V295 HydrophobicContact CD2-CG1 4.47Å; L267-V295 HydrophobicContact CD2-CG2 3.59Å; L267-V295 HydrophobicContact CG-CG2 4.08Å
268	M	68.5	Low	65.1	Low	11 Å²	11	44.7 Å²	44.7	5%	0.054	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-42.1	175.3	-76.4	-166.9	71.9	0	0	111.9	L264 M265 A271 S272 V295 V296 I315 V325	L264-M268 WeakPolarHBondContact O-CG 3.19Å; L264-M268 PolarHBondContact O-N 2.89Å; M265-M268 PolarHBondContact O-N 3.17Å; M268-A271 PolarHBondContact O-N 3.38Å; M268-S272 VanDerWaalsContact O-CB 3.25Å; M268-S272 WeakPolarHBondContact O-CB 3.27Å; M268-S272 PolarHBondContact O-N 2.9Å; M268-S272 PolarHBondContact O-OG 2.91Å; M268-V295 HydrophobicContact CG-CG1 3.39Å; M268-V295 HydrophobicContact SD-CG1 4.19Å; M268-V296 HydrophobicContact CE-CG2 4.21Å; M268-I315 HydrophobicContact CE-CD1 3.55Å; M268-I315 HydrophobicContact CE-CG1 4.39Å; M268-I315 HydrophobicContact CE-CG2 4.03Å; M268-I315 HydrophobicContact SD-CD1 3.47Å; M268-I315 WeakPolarHBondContact SD-CD1 3.44Å; M268-I315 HydrophobicContact SD-CG1 4.49Å; M268-V325 HydrophobicContact CE-CG1 4.24Å
269	I	68.2	Low	64.3	Low	96 Å²	96	39.9 Å²	39.9	49%	0.492	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-42.5	174.7	-66.9	164.6	0	0	0	110.5	M265 D266 S272 A273	M265-I269 WeakPolarHBondContact O-CB 3.43Å; M265-I269 VanDerWaalsContact O-CG1 3.27Å; M265-I269 WeakPolarHBondContact O-CG1 3.26Å; M265-I269 PolarHBondContact O-N 3.02Å; D266-I269 PolarHBondContact O-N 3.47Å; I269-S272 WeakPolarHBondContact CA-OG 3.34Å; I269-S272 PolarHBondContact O-N 3.47Å; I269-S272 PolarHBondContact O-OG 2.86Å; I269-A273 WeakPolarHBondContact O-CB 3.09Å; I269-A273 PolarHBondContact O-N 2.98Å
270	A	68.5	Low	63.1	Low	7 Å²	7	37.7 Å²	37.7	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-45.3	177.8	0	0	0	0	0	111.7	T125 I128 K132 D266 L267 A273 C274	T125-A270 HydrophobicContact CG2-CB 3.88Å; I128-A270 HydrophobicContact CB-CB 4.46Å; I128-A270 HydrophobicContact CD1-CB 4.29Å; I128-A270 HydrophobicContact CG2-CB 4.01Å; I128-A270 WeakPolarHBondContact CG2-O 3.11Å; K132-A270 PolarHBondContact NZ-O 3.03Å; D266-A270 VanDerWaalsContact O-CB 3.26Å; D266-A270 WeakPolarHBondContact O-CB 3.29Å; D266-A270 PolarHBondContact O-N 3.4Å; L267-A270 PolarHBondContact O-N 3.47Å; A270-A273 PolarHBondContact O-N 2.96Å; A270-C274 PolarHBondContact O-N 3.36Å
271	A	65.7	Low	61.9	Low	3 Å²	3	39.8 Å²	39.8	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-30	178.4	0	0	0	0	0	113.2	I128 L267 M268 C274 L291 R292	I128-A271 HydrophobicContact CD1-CB 4.36Å; L267-A271 WeakPolarHBondContact O-CB 3.47Å; L267-A271 PolarHBondContact O-N 2.81Å; M268-A271 PolarHBondContact O-N 3.38Å; A271-C274 WeakPolarHBondContact O-CB 3.4Å; A271-C274 PolarHBondContact O-N 2.66Å; A271-L291 HydrophobicContact CB-CD2 3.68Å; A271-R292 HydrophobicContact CB-CG 4.4Å
272	S	61.6	Low	60.9	Low	5 Å²	5	41.6 Å²	41.6	4%	0.035	24%	0.24	C	C	.	.	H	α-helix	trans	-74.9	-35.3	172.8	71	0	0	0	0	111.6	M268 I269 C274 T321 L324	M268-S272 VanDerWaalsContact O-CB 3.25Å; M268-S272 WeakPolarHBondContact O-CB 3.27Å; M268-S272 PolarHBondContact O-N 2.9Å; M268-S272 PolarHBondContact O-OG 2.91Å; I269-S272 WeakPolarHBondContact CA-OG 3.34Å; I269-S272 PolarHBondContact O-N 3.47Å; I269-S272 PolarHBondContact O-OG 2.86Å; S272-C274 PolarHBondContact O-N 3Å; S272-C274 VanDerWaalsContact O-N 3.16Å; S272-T321 WeakPolarHBondContact CB-OG1 3.48Å; S272-T321 WeakPolarHBondContact OG-CG2 3.3Å; S272-T321 PolarHBondContact OG-OG1 3.31Å; S272-L324 WeakPolarHBondContact O-CD1 3.35Å
273	A	62.5	Low	59.6	Low	54 Å²	54	39.4 Å²	39.4	45%	0.446	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	3.8	172.4	0	0	0	0	0	113.5	K132 I269 A270 D275	K132-A273 WeakPolarHBondContact CE-O 3.44Å; K132-A273 PolarHBondContact NZ-O 3.42Å; K132-A273 VanDerWaalsContact NZ-O 3.12Å; I269-A273 WeakPolarHBondContact O-CB 3.09Å; I269-A273 PolarHBondContact O-N 2.98Å; A270-A273 PolarHBondContact O-N 2.96Å; A273-D275 PolarHBondContact O-N 2.83Å
274	C	60.2	Low	58.1	Low	11 Å²	11	36.6 Å²	36.6	7%	0.074	21%	0.212	C	C	.	.			trans	-81.3	84.5	165.3	-70	0	0	0	0	109.6	I128 A270 A271 S272 L279 R292	I128-C274 WeakPolarHBondContact CG2-SG 2.95Å; A270-C274 PolarHBondContact O-N 3.36Å; A271-C274 WeakPolarHBondContact O-CB 3.4Å; A271-C274 PolarHBondContact O-N 2.66Å; S272-C274 PolarHBondContact O-N 3Å; S272-C274 VanDerWaalsContact O-N 3.16Å; C274-L279 HydrophobicContact CB-CD1 3.96Å; C274-R292 PolarHBondContact O-NH1 3.35Å
275	D	56.2	Low	56.9	Low	78 Å²	78	40.7 Å²	40.7	42%	0.417	24%	0.237	S	C	.	.			trans	-76	140.8	175.3	-174.1	0.4	0	0	0	110.9	A273 A277 V278 L279	A273-D275 PolarHBondContact O-N 2.83Å; D275-A277 PolarHBondContact O-N 3.24Å; D275-A277 PolarHBondContact OD1-N 3.16Å; D275-V278 HydrophobicContact CB-CG2 3.97Å; D275-V278 WeakPolarHBondContact O-CB 3.32Å; D275-V278 PolarHBondContact O-N 3.42Å; D275-L279 PolarHBondContact O-N 3.12Å
276	E	51	Low	55.9	Low	107 Å²	107	46.5 Å²	46.5	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.6	177.4	-64.5	-173.4	162	0	0	111.9	V278	E276-V278 PolarHBondContact O-N 3.36Å
277	A	50.1	Low	54.8	Low	68 Å²	68	45.8 Å²	45.8	56%	0.562	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.9	176.2	0	0	0	0	0	114.4	K139 D275	K139-A277 PolarHBondContact NZ-O 3.39Å; D275-A277 PolarHBondContact O-N 3.24Å; D275-A277 PolarHBondContact OD1-N 3.16Å
278	V	49.7	Very low	53.9	Low	34 Å²	34	46.3 Å²	46.3	21%	0.206	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-40.3	-177.4	-178.7	0	0	0	0	109.4	K132 V135 D275 E276	K132-V278 HydrophobicContact CG-CG1 4.39Å; V135-V278 HydrophobicContact CB-CG1 3.8Å; V135-V278 WeakPolarHBondContact CB-O 3.34Å; V135-V278 HydrophobicContact CG1-CB 4.3Å; V135-V278 HydrophobicContact CG1-CG1 3.59Å; V135-V278 WeakPolarHBondContact CG1-O 2.97Å; V135-V278 HydrophobicContact CG2-CG1 3.99Å; V135-V278 WeakPolarHBondContact CG2-O 3.25Å; D275-V278 HydrophobicContact CB-CG2 3.97Å; D275-V278 WeakPolarHBondContact O-CB 3.32Å; D275-V278 PolarHBondContact O-N 3.42Å; E276-V278 PolarHBondContact O-N 3.36Å
279	L	47.9	Very low	53.4	Low	27 Å²	27	49.5 Å²	49.5	14%	0.141	28%	0.278	C	S	.	.	S	Bend	trans	-95.5	157.6	-177.3	-71.2	160	0	0	0	111.2	L131 C274 D275 C284	L131-L279 HydrophobicContact CB-CD2 4.27Å; C274-L279 HydrophobicContact CB-CD1 3.96Å; D275-L279 PolarHBondContact O-N 3.12Å; L279-C284 VanDerWaalsContact CA-SG 3.52Å; L279-C284 WeakPolarHBondContact CB-SG 3.48Å; L279-C284 PolarHBondContact O-SG 3.47Å
280	P	46.3	Very low	53	Low	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.263	C	S	.	.			trans	-60.5	137.9	178.8	-21.6	30.7	0	0	0	112.9	C30 P32 F228 E282 M283 C284	C30-P280 HydrophobicContact CB-CB 4.19Å; P32-P280 HydrophobicContact CB-CB 4.42Å; P32-P280 HydrophobicContact CB-CG 4.07Å; P32-P280 HydrophobicContact CG-CG 3.94Å; F228-P280 HydrophobicContact CZ-CG 3.94Å; P280-E282 PolarHBondContact O-N 2.98Å; P280-E282 VanDerWaalsContact O-N 3.12Å; P280-M283 HydrophobicContact CB-CB 4.12Å; P280-M283 HydrophobicContact CG-CB 4.27Å; P280-M283 HydrophobicContact CG-SD 4.05Å; P280-M283 WeakPolarHBondContact O-CA 3.28Å; P280-M283 WeakPolarHBondContact O-CB 3.15Å; P280-M283 PolarHBondContact O-N 2.81Å; P280-C284 PolarHBondContact O-N 2.94Å; P280-C284 PolarHBondContact O-SG 3.37Å
281	P	42.4	Very low	52.6	Low	65 Å²	65	46.2 Å²	46.2	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-55.1	-35.9	-174.3	-25.1	33.9	0	0	0	114.3	R33	R33-P281 HydrophobicContact CB-CG 4.11Å
282	E	44.8	Very low	52.6	Low	84 Å²	84	46.6 Å²	46.6	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-74.4	-25	176.8	-63.1	85.8	-168.2	0	0	113.8	C30 R33 P280	C30-E282 HydrophobicContact CB-CB 4.26Å; R33-E282 WeakPolarHBondContact CD-OE1 3.47Å; R33-E282 IonicContact CZ-OE1 2.62Å; R33-E282 IonicContact NE-OE1 3.25Å; R33-E282 PolarHBondContact NE-OE1 2.71Å; R33-E282 IonicContact NE-OE2 2.9Å; R33-E282 IonicContact NH1-OE1 3.49Å; R33-E282 IonicContact NH2-OE1 2.87Å; R33-E282 PolarHBondContact NH2-OE1 2.87Å; P280-E282 PolarHBondContact O-N 2.98Å; P280-E282 VanDerWaalsContact O-N 3.12Å
283	M	43.8	Very low	52.7	Low	16 Å²	16	48.5 Å²	48.5	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-84.5	-33.3	175.5	-108.8	174.1	-165.5	0	0	112.6	C30 F228 F232 P280 V287	C30-M283 HydrophobicContact CB-CB 3.91Å; C30-M283 HydrophobicContact CB-CE 3.74Å; C30-M283 HydrophobicContact CB-CG 3.39Å; C30-M283 HydrophobicContact CB-SD 3.76Å; F228-M283 HydrophobicContact CE1-CE 3.66Å; F228-M283 HydrophobicContact CE1-SD 3.89Å; F228-M283 HydrophobicContact CZ-CE 3.94Å; F228-M283 HydrophobicContact CZ-SD 3.51Å; F228-M283 VanDerWaalsContact CZ-SD 3.51Å; F232-M283 HydrophobicContact CB-CE 4.28Å; F232-M283 HydrophobicContact CD1-CE 3.54Å; F232-M283 HydrophobicContact CD2-CE 3.26Å; F232-M283 HydrophobicContact CD2-CG 4.33Å; F232-M283 HydrophobicContact CD2-SD 3.62Å; F232-M283 HydrophobicContact CE1-CE 3.55Å; F232-M283 HydrophobicContact CE2-CE 3.28Å; F232-M283 HydrophobicContact CE2-CG 3.63Å; F232-M283 HydrophobicContact CE2-SD 3.54Å; F232-M283 VanDerWaalsContact CE2-SD 3.54Å; F232-M283 HydrophobicContact CG-CE 3.4Å; F232-M283 HydrophobicContact CG-SD 4.32Å; F232-M283 HydrophobicContact CZ-CE 3.43Å; F232-M283 VanDerWaalsContact CZ-CE 3.43Å; F232-M283 HydrophobicContact CZ-CG 3.99Å; F232-M283 HydrophobicContact CZ-SD 4.18Å; P280-M283 HydrophobicContact CB-CB 4.12Å; P280-M283 HydrophobicContact CG-CB 4.27Å; P280-M283 HydrophobicContact CG-SD 4.05Å; P280-M283 WeakPolarHBondContact O-CA 3.28Å; P280-M283 WeakPolarHBondContact O-CB 3.15Å; P280-M283 PolarHBondContact O-N 2.81Å; M283-V287 VanDerWaalsContact O-CB 3.29Å; M283-V287 WeakPolarHBondContact O-CB 3.22Å; M283-V287 WeakPolarHBondContact O-CG2 3.13Å
284	C	46	Very low	52.7	Low	6 Å²	6	46.9 Å²	46.9	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-48.8	-164.9	-74.2	0	0	0	0	114.9	L279 P280 F286 A288	L279-C284 VanDerWaalsContact CA-SG 3.52Å; L279-C284 WeakPolarHBondContact CB-SG 3.48Å; L279-C284 PolarHBondContact O-SG 3.47Å; P280-C284 PolarHBondContact O-N 2.94Å; P280-C284 PolarHBondContact O-SG 3.37Å; C284-F286 VanDerWaalsContact C-N 3.3Å; C284-F286 PolarHBondContact O-N 3.24Å; C284-A288 WeakPolarHBondContact O-CB 3.15Å; C284-A288 PolarHBondContact O-N 2.82Å
285	T	44.4	Very low	53	Low	90 Å²	90	46.4 Å²	46.4	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-72	-27.9	-159.3	46.9	0	0	0	0	112.4	K289	T285-K289 WeakPolarHBondContact O-CB 3.14Å
286	F	48.9	Very low	53.3	Low	155 Å²	155	43 Å²	43	68%	0.68	24%	0.235	S	C	*	.	H	α-helix	trans	-98.3	-39.7	178.3	-156.5	-93.8	0	0	0	113	C284 S290	C284-F286 VanDerWaalsContact C-N 3.3Å; C284-F286 PolarHBondContact O-N 3.24Å; F286-S290 WeakPolarHBondContact O-CA 3.21Å; F286-S290 WeakPolarHBondContact O-CB 3.01Å; F286-S290 PolarHBondContact O-N 3.47Å; F286-S290 PolarHBondContact O-OG 3.34Å
287	V	51.1	Low	53.9	Low	43 Å²	43	40.9 Å²	40.9	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-82.4	-47.6	-169	-179.5	0	0	0	0	112.3	F235 M283 K289 S290 L291	F235-V287 HydrophobicContact CD1-CG1 4.05Å; F235-V287 HydrophobicContact CE1-CG1 3.23Å; F235-V287 HydrophobicContact CZ-CG1 4.01Å; M283-V287 VanDerWaalsContact O-CB 3.29Å; M283-V287 WeakPolarHBondContact O-CB 3.22Å; M283-V287 WeakPolarHBondContact O-CG2 3.13Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-S290 PolarHBondContact O-N 2.88Å; V287-L291 WeakPolarHBondContact O-CB 3.34Å; V287-L291 PolarHBondContact O-N 3.5Å
288	A	55.2	Low	54.4	Low	12 Å²	12	38 Å²	38	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-42.7	176.5	0	0	0	0	0	110.5	C284 L291 R292	C284-A288 WeakPolarHBondContact O-CB 3.15Å; C284-A288 PolarHBondContact O-N 2.82Å; A288-L291 PolarHBondContact O-N 3.26Å; A288-R292 WeakPolarHBondContact O-CB 3.25Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 2.86Å
289	K	58.2	Low	55.1	Low	78 Å²	78	36.6 Å²	36.6	34%	0.339	19%	0.191	S	C	.	.	H	α-helix	trans	-57.4	-49.4	170.5	175.9	161.5	-165.3	154.4	0	113.1	T285 V287 L291 R292 Q293 D328	T285-K289 WeakPolarHBondContact O-CB 3.14Å; V287-K289 VanDerWaalsContact C-N 3.33Å; K289-L291 PolarHBondContact O-N 3.14Å; K289-R292 PolarHBondContact O-N 3.4Å; K289-Q293 VanDerWaalsContact O-CB 3.29Å; K289-Q293 WeakPolarHBondContact O-CB 2.94Å; K289-Q293 VanDerWaalsContact O-CG 3.26Å; K289-Q293 WeakPolarHBondContact O-CG 3.19Å; K289-Q293 PolarHBondContact O-N 2.97Å; K289-D328 WeakPolarHBondContact CA-OD2 3.26Å; K289-D328 WeakPolarHBondContact CD-OD1 3.34Å; K289-D328 WeakPolarHBondContact CE-OD1 3.44Å; K289-D328 HydrophobicContact CG-CB 4.21Å; K289-D328 WeakPolarHBondContact CG-OD1 3.47Å; K289-D328 IonicContact NZ-OD1 3.36Å; K289-D328 PolarHBondContact NZ-OD1 3.1Å
290	S	58.5	Low	55.7	Low	28 Å²	28	36.2 Å²	36.2	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-42	178.4	-69.4	0	0	0	0	111.6	F286 V287 Q293 V294	F286-S290 WeakPolarHBondContact O-CA 3.21Å; F286-S290 WeakPolarHBondContact O-CB 3.01Å; F286-S290 PolarHBondContact O-N 3.47Å; F286-S290 PolarHBondContact O-OG 3.34Å; V287-S290 PolarHBondContact O-N 2.88Å; S290-Q293 PolarHBondContact O-N 3.26Å; S290-V294 VanDerWaalsContact O-CB 3.3Å; S290-V294 WeakPolarHBondContact O-CB 3.37Å; S290-V294 WeakPolarHBondContact O-CG2 3.19Å; S290-V294 PolarHBondContact O-N 3.32Å
291	L	61.2	Low	56.4	Low	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-51.6	175.5	-177.7	81.3	0	0	0	110.9	L124 I128 F235 V239 A271 V287 A288 K289 Q293 V294 V295	L124-L291 HydrophobicContact CD2-CD1 4.37Å; I128-L291 HydrophobicContact CD1-CD2 3.57Å; I128-L291 HydrophobicContact CG1-CD2 4.42Å; F235-L291 HydrophobicContact CE2-CD1 4.39Å; F235-L291 HydrophobicContact CE2-CD2 4.06Å; F235-L291 HydrophobicContact CZ-CB 4.31Å; F235-L291 HydrophobicContact CZ-CD1 4.1Å; F235-L291 HydrophobicContact CZ-CD2 3.94Å; F235-L291 HydrophobicContact CZ-CG 4.33Å; V239-L291 HydrophobicContact CG2-CD1 3.53Å; A271-L291 HydrophobicContact CB-CD2 3.68Å; V287-L291 WeakPolarHBondContact O-CB 3.34Å; V287-L291 PolarHBondContact O-N 3.5Å; A288-L291 PolarHBondContact O-N 3.26Å; K289-L291 PolarHBondContact O-N 3.14Å; L291-Q293 VanDerWaalsContact C-N 3.31Å; L291-Q293 PolarHBondContact O-N 3.17Å; L291-V294 PolarHBondContact O-N 2.86Å; L291-V294 VanDerWaalsContact O-N 3.17Å; L291-V295 HydrophobicContact CD1-CG2 4.44Å; L291-V295 HydrophobicContact CG-CG2 4.37Å; L291-V295 WeakPolarHBondContact O-CB 3.37Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 2.97Å; L291-V295 PolarHBondContact O-N 3.36Å
292	R	65.3	Low	57	Low	12 Å²	12	42.1 Å²	42.1	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-46.6	177	-74.2	-173.3	-67.5	-112.5	7.6	110.8	A271 C274 A288 K289 V294 V295 V296 L324 D328	A271-R292 HydrophobicContact CB-CG 4.4Å; C274-R292 PolarHBondContact O-NH1 3.35Å; A288-R292 WeakPolarHBondContact O-CB 3.25Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 2.86Å; K289-R292 PolarHBondContact O-N 3.4Å; R292-V294 PolarHBondContact O-N 3.04Å; R292-V295 PolarHBondContact O-N 3.42Å; R292-V296 VanDerWaalsContact O-CB 3.22Å; R292-V296 WeakPolarHBondContact O-CB 3.44Å; R292-V296 WeakPolarHBondContact O-CG2 3.26Å; R292-V296 PolarHBondContact O-N 3.34Å; R292-L324 PolarHBondContact NE-O 2.94Å; R292-D328 HydrophobicContact CB-CB 4.31Å; R292-D328 IonicContact CZ-OD2 3.31Å; R292-D328 IonicContact NE-OD2 2.65Å; R292-D328 PolarHBondContact NE-OD2 3.34Å; R292-D328 IonicContact NH2-OD2 3.93Å; R292-D328 PolarHBondContact NH2-OD2 2.96Å
293	Q	63.7	Low	57.7	Low	45 Å²	45	38.7 Å²	38.7	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-43.3	175.8	-80	-176.7	3.3	0	0	113.8	K289 S290 L291 K297 D328 P330	K289-Q293 VanDerWaalsContact O-CB 3.29Å; K289-Q293 WeakPolarHBondContact O-CB 2.94Å; K289-Q293 VanDerWaalsContact O-CG 3.26Å; K289-Q293 WeakPolarHBondContact O-CG 3.19Å; K289-Q293 PolarHBondContact O-N 2.97Å; S290-Q293 PolarHBondContact O-N 3.26Å; L291-Q293 VanDerWaalsContact C-N 3.31Å; L291-Q293 PolarHBondContact O-N 3.17Å; Q293-K297 WeakPolarHBondContact O-CB 3.5Å; Q293-K297 WeakPolarHBondContact O-CD 3.16Å; Q293-K297 WeakPolarHBondContact O-CG 3.34Å; Q293-K297 PolarHBondContact O-N 3.5Å; Q293-D328 HydrophobicContact CG-CB 4.33Å; Q293-D328 WeakPolarHBondContact CG-O 3.49Å; Q293-D328 PolarHBondContact NE2-O 3.28Å; Q293-P330 HydrophobicContact CG-CG 4.31Å
294	V	62.6	Low	58.2	Low	19 Å²	19	48.3 Å²	48.3	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-43.4	-178.5	168.4	0	0	0	0	110.5	Y242 S243 S290 L291 R292 K297 A298	Y242-V294 HydrophobicContact CD1-CG1 3.58Å; Y242-V294 HydrophobicContact CE1-CG1 4.02Å; S243-V294 VanDerWaalsContact OG-CG2 3.27Å; S243-V294 WeakPolarHBondContact OG-CG2 3.32Å; S290-V294 VanDerWaalsContact O-CB 3.3Å; S290-V294 WeakPolarHBondContact O-CB 3.37Å; S290-V294 WeakPolarHBondContact O-CG2 3.19Å; S290-V294 PolarHBondContact O-N 3.32Å; L291-V294 PolarHBondContact O-N 2.86Å; L291-V294 VanDerWaalsContact O-N 3.17Å; R292-V294 PolarHBondContact O-N 3.04Å; V294-K297 PolarHBondContact O-N 3.37Å; V294-A298 VanDerWaalsContact O-CB 3.28Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 2.98Å
295	V	65	Low	58.4	Low	2 Å²	2	52.4 Å²	52.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-46.1	177.4	175.3	0	0	0	0	110.5	L264 L267 M268 L291 R292 A298 F299	L264-V295 HydrophobicContact CD2-CG1 4.39Å; L267-V295 HydrophobicContact CD2-CG1 4.47Å; L267-V295 HydrophobicContact CD2-CG2 3.59Å; L267-V295 HydrophobicContact CG-CG2 4.08Å; M268-V295 HydrophobicContact CG-CG1 3.39Å; M268-V295 HydrophobicContact SD-CG1 4.19Å; L291-V295 HydrophobicContact CD1-CG2 4.44Å; L291-V295 HydrophobicContact CG-CG2 4.37Å; L291-V295 WeakPolarHBondContact O-CB 3.37Å; L291-V295 VanDerWaalsContact O-CG2 3.27Å; L291-V295 WeakPolarHBondContact O-CG2 2.97Å; L291-V295 PolarHBondContact O-N 3.36Å; R292-V295 PolarHBondContact O-N 3.42Å; V295-A298 PolarHBondContact O-N 3.04Å; V295-F299 VanDerWaalsContact O-CB 3.29Å; V295-F299 WeakPolarHBondContact O-CB 3.43Å; V295-F299 PolarHBondContact O-N 3.08Å
296	V	64	Low	58.7	Low	7 Å²	7	57.7 Å²	57.7	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-43.7	174.8	167.3	0	0	0	0	111.7	M268 R292 A298 F299 L300 V325 L329	M268-V296 HydrophobicContact CE-CG2 4.21Å; R292-V296 VanDerWaalsContact O-CB 3.22Å; R292-V296 WeakPolarHBondContact O-CB 3.44Å; R292-V296 WeakPolarHBondContact O-CG2 3.26Å; R292-V296 PolarHBondContact O-N 3.34Å; V296-A298 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.3Å; V296-F299 WeakPolarHBondContact O-CB 3.31Å; V296-F299 PolarHBondContact O-N 3.19Å; V296-L300 HydrophobicContact CG1-CD1 3.58Å; V296-L300 HydrophobicContact CG1-CG 4.13Å; V296-L300 WeakPolarHBondContact O-CB 3.48Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.43Å; V296-L300 PolarHBondContact O-N 3.45Å; V296-V325 HydrophobicContact CG2-CG1 3.86Å; V296-L329 HydrophobicContact CB-CD1 4.39Å; V296-L329 HydrophobicContact CG1-CD1 3.39Å; V296-L329 HydrophobicContact CG1-CG 3.75Å; V296-L329 HydrophobicContact CG2-CD1 4.11Å
297	K	63.4	Low	59.2	Low	61 Å²	61	54.7 Å²	54.7	27%	0.265	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-44.8	174.6	-84.5	168.9	-176.3	173.1	0	111.4	Q293 V294 F299 R301 L333	Q293-K297 WeakPolarHBondContact O-CB 3.5Å; Q293-K297 WeakPolarHBondContact O-CD 3.16Å; Q293-K297 WeakPolarHBondContact O-CG 3.34Å; Q293-K297 PolarHBondContact O-N 3.5Å; V294-K297 PolarHBondContact O-N 3.37Å; K297-F299 VanDerWaalsContact C-N 3.31Å; K297-R301 WeakPolarHBondContact O-CB 3.29Å; K297-R301 WeakPolarHBondContact O-CG 3.47Å; K297-R301 PolarHBondContact O-N 2.89Å; K297-L333 HydrophobicContact CB-CD1 4.43Å; K297-L333 HydrophobicContact CD-CD1 4.19Å; K297-L333 HydrophobicContact CG-CD1 3.28Å
298	A	60.6	Low	59.7	Low	8 Å²	8	52.6 Å²	52.6	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-37.8	179.2	0	0	0	0	0	111.7	Y242 V294 V295 V296 R302	Y242-A298 HydrophobicContact CE1-CB 3.93Å; V294-A298 VanDerWaalsContact O-CB 3.28Å; V294-A298 WeakPolarHBondContact O-CB 3.44Å; V294-A298 PolarHBondContact O-N 2.98Å; V295-A298 PolarHBondContact O-N 3.04Å; V296-A298 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.3Å; A298-R302 WeakPolarHBondContact O-CB 3.48Å
299	F	64.5	Low	60	Low	5 Å²	5	53.6 Å²	53.6	2%	0.022	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-56.6	174.1	175.4	-98.6	0	0	0	112	V295 V296 K297 R301 R302 Y303 A308 I311 L312	V295-F299 VanDerWaalsContact O-CB 3.29Å; V295-F299 WeakPolarHBondContact O-CB 3.43Å; V295-F299 PolarHBondContact O-N 3.08Å; V296-F299 WeakPolarHBondContact O-CB 3.31Å; V296-F299 PolarHBondContact O-N 3.19Å; K297-F299 VanDerWaalsContact C-N 3.31Å; F299-R301 PolarHBondContact O-N 3.5Å; F299-R302 PolarHBondContact O-N 3.04Å; F299-Y303 AromaticContact CD2-CD2 3.46Å; F299-Y303 HydrophobicContact CD2-CD2 3.46Å; F299-Y303 VanDerWaalsContact CD2-CD2 3.46Å; F299-Y303 AromaticContact CD2-CE2 3.62Å; F299-Y303 HydrophobicContact CD2-CE2 3.62Å; F299-Y303 AromaticContact CE2-CD2 3.44Å; F299-Y303 HydrophobicContact CE2-CD2 3.44Å; F299-Y303 VanDerWaalsContact CE2-CD2 3.44Å; F299-Y303 AromaticContact CE2-CE2 3.73Å; F299-Y303 HydrophobicContact CE2-CE2 3.73Å; F299-Y303 HydrophobicContact CE2-CG 4.16Å; F299-Y303 HydrophobicContact CG-CD2 4.26Å; F299-Y303 HydrophobicContact CZ-CD2 4.27Å; F299-Y303 WeakPolarHBondContact O-CD2 3.44Å; F299-Y303 PolarHBondContact O-N 2.9Å; F299-A308 HydrophobicContact CE1-CB 4.37Å; F299-A308 HydrophobicContact CZ-CB 4.33Å; F299-I311 HydrophobicContact CD2-CG2 4.21Å; F299-I311 HydrophobicContact CE1-CG2 4.4Å; F299-I311 HydrophobicContact CE2-CB 3.7Å; F299-I311 HydrophobicContact CE2-CD1 3.57Å; F299-I311 HydrophobicContact CE2-CG1 4.23Å; F299-I311 HydrophobicContact CE2-CG2 3.24Å; F299-I311 HydrophobicContact CZ-CB 3.56Å; F299-I311 HydrophobicContact CZ-CD1 4.14Å; F299-I311 HydrophobicContact CZ-CG1 4.45Å; F299-I311 HydrophobicContact CZ-CG2 3.36Å; F299-L312 HydrophobicContact CE1-CD2 3.99Å; F299-L312 HydrophobicContact CE1-CG 4.07Å
300	L	60.5	Low	60.3	Low	18 Å²	18	55.1 Å²	55.1	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-34.9	-176.8	-68.6	174.9	0	0	0	113.2	V296 R302 L333 L334	V296-L300 HydrophobicContact CG1-CD1 3.58Å; V296-L300 HydrophobicContact CG1-CG 4.13Å; V296-L300 WeakPolarHBondContact O-CB 3.48Å; V296-L300 VanDerWaalsContact O-CG 3.31Å; V296-L300 WeakPolarHBondContact O-CG 3.43Å; V296-L300 PolarHBondContact O-N 3.45Å; L300-R302 PolarHBondContact O-N 3.35Å; L300-L333 HydrophobicContact CD1-CB 3.64Å; L300-L334 HydrophobicContact CD1-CD2 3.93Å; L300-L334 HydrophobicContact CD2-CD2 3.81Å
301	R	60.2	Low	60.4	Low	125 Å²	125	54 Å²	54	47%	0.472	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	178.8	-77.4	177.9	175.8	177.4	1	113.9	S246 K297 F299	S246-R301 PolarHBondContact O-NH1 3.45Å; K297-R301 WeakPolarHBondContact O-CB 3.29Å; K297-R301 WeakPolarHBondContact O-CG 3.47Å; K297-R301 PolarHBondContact O-N 2.89Å; F299-R301 PolarHBondContact O-N 3.5Å
302	R	56.3	Low	60.5	Low	66 Å²	66	54 Å²	54	25%	0.249	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-23.2	-162.7	-147	155.7	144.8	-163.7	-17.7	114.7	D117 R249 Y256 E260 A298 F299 L300	D117-R302 IonicContact OD2-NH1 3.78Å; R249-R302 VanDerWaalsContact NH1-CZ 3.29Å; Y256-R302 HydrophobicContact CD2-CG 4.16Å; Y256-R302 HydrophobicContact CE2-CB 3.85Å; Y256-R302 HydrophobicContact CE2-CG 3.52Å; Y256-R302 PolarHBondContact OH-NH1 2.87Å; E260-R302 IonicContact OE1-CZ 2.66Å; E260-R302 IonicContact OE1-NH1 3.64Å; E260-R302 IonicContact OE1-NH2 3.47Å; E260-R302 PolarHBondContact OE1-NH2 3.23Å; E260-R302 IonicContact OE2-NH2 2.73Å; A298-R302 WeakPolarHBondContact O-CB 3.48Å; F299-R302 PolarHBondContact O-N 3.04Å; L300-R302 PolarHBondContact O-N 3.35Å
303	Y	58.7	Low	60.4	Low	12 Å²	12	59.8 Å²	59.8	5%	0.047	26%	0.256	C	S	.	.	S	Bend	trans	-91.9	123.1	172	-73.2	-78.7	0	0	0	111.7	Y256 K261 L264 F299 E307 I311	Y256-Y303 WeakPolarHBondContact CB-OH 3.3Å; Y256-Y303 WeakPolarHBondContact CD1-OH 3.31Å; Y256-Y303 HydrophobicContact CD2-CE1 4.47Å; Y256-Y303 HydrophobicContact CD2-CE2 4.21Å; Y256-Y303 AromaticContact CD2-CZ 3.98Å; Y256-Y303 HydrophobicContact CE2-CE2 4.34Å; Y256-Y303 HydrophobicContact CG-CE1 4.41Å; Y256-Y303 HydrophobicContact CG-CE2 4.39Å; Y256-Y303 AromaticContact CG-CZ 3.82Å; K261-Y303 WeakPolarHBondContact CB-OH 3.1Å; L264-Y303 HydrophobicContact CD1-CE2 4.37Å; F299-Y303 AromaticContact CD2-CD2 3.46Å; F299-Y303 HydrophobicContact CD2-CD2 3.46Å; F299-Y303 VanDerWaalsContact CD2-CD2 3.46Å; F299-Y303 AromaticContact CD2-CE2 3.62Å; F299-Y303 HydrophobicContact CD2-CE2 3.62Å; F299-Y303 AromaticContact CE2-CD2 3.44Å; F299-Y303 HydrophobicContact CE2-CD2 3.44Å; F299-Y303 VanDerWaalsContact CE2-CD2 3.44Å; F299-Y303 AromaticContact CE2-CE2 3.73Å; F299-Y303 HydrophobicContact CE2-CE2 3.73Å; F299-Y303 HydrophobicContact CE2-CG 4.16Å; F299-Y303 HydrophobicContact CG-CD2 4.26Å; F299-Y303 HydrophobicContact CZ-CD2 4.27Å; F299-Y303 WeakPolarHBondContact O-CD2 3.44Å; F299-Y303 PolarHBondContact O-N 2.9Å; Y303-E307 HydrophobicContact CD1-CB 3.63Å; Y303-E307 WeakPolarHBondContact CD1-OE2 3.26Å; Y303-E307 HydrophobicContact CE1-CB 4.37Å; Y303-E307 HydrophobicContact CG-CB 4.42Å; Y303-I311 HydrophobicContact CD1-CD1 4.37Å; Y303-I311 HydrophobicContact CE1-CD1 4.07Å; Y303-I311 HydrophobicContact CE2-CD1 4.33Å
304	R	53.5	Low	60.4	Low	217 Å²	217	61.7 Å²	61.7	82%	0.819	27%	0.27	S	S	*	.			trans	-71.5	136.9	171.5	-77.3	-174.8	175	-174.1	-1.4	109.6	Y306 E307	R304-Y306 VanDerWaalsContact C-N 3.26Å; R304-Y306 PolarHBondContact O-N 3.29Å; R304-E307 PolarHBondContact O-N 3.22Å; R304-E307 VanDerWaalsContact O-N 3.13Å
305	N	51.8	Low	60.4	Low	92 Å²	92	61.3 Å²	61.3	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-5.1	-52.1	-178.6	-65.9	1	0	0	0	119.1	N309	N305-N309 PolarHBondContact O-N 3.22Å; N305-N309 PolarHBondContact O-ND2 2.82Å; N305-N309 PolarHBondContact O-OD1 3.01Å
306	Y	50.6	Low	60.1	Low	202 Å²	202	61.4 Å²	61.4	79%	0.792	27%	0.268	S	S	*	.	H	α-helix	trans	-72.5	-44.4	-174.4	-155	-93.9	0	0	0	114.1	R304 A308 N309	R304-Y306 VanDerWaalsContact C-N 3.26Å; R304-Y306 PolarHBondContact O-N 3.29Å; Y306-A308 VanDerWaalsContact C-N 3.35Å; Y306-N309 PolarHBondContact O-N 3.39Å
307	E	59.2	Low	59.7	Low	91 Å²	91	64 Å²	64	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-73.8	-30.8	-179.5	-69.4	173.1	173.8	0	0	111.5	Y303 R304 N309 I311	Y303-E307 HydrophobicContact CD1-CB 3.63Å; Y303-E307 WeakPolarHBondContact CD1-OE2 3.26Å; Y303-E307 HydrophobicContact CE1-CB 4.37Å; Y303-E307 HydrophobicContact CG-CB 4.42Å; R304-E307 PolarHBondContact O-N 3.22Å; R304-E307 VanDerWaalsContact O-N 3.13Å; E307-N309 VanDerWaalsContact C-N 3.34Å; E307-I311 WeakPolarHBondContact O-CD1 3.45Å; E307-I311 WeakPolarHBondContact O-CG1 3.47Å; E307-I311 PolarHBondContact O-N 3.47Å
308	A	60.3	Low	59.5	Low	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-44.3	173.1	0	0	0	0	0	111	F299 Y306 E310 I311 L312	F299-A308 HydrophobicContact CE1-CB 4.37Å; F299-A308 HydrophobicContact CZ-CB 4.33Å; Y306-A308 VanDerWaalsContact C-N 3.35Å; A308-E310 PolarHBondContact O-N 3.29Å; A308-I311 PolarHBondContact O-N 2.92Å; A308-L312 WeakPolarHBondContact O-CB 3.42Å; A308-L312 WeakPolarHBondContact O-CG 3.37Å; A308-L312 PolarHBondContact O-N 3.27Å
309	N	62.2	Low	59.1	Low	32 Å²	32	64.9 Å²	64.9	17%	0.171	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-37.8	-176.6	-71.4	-10.4	0	0	0	113.8	N305 Y306 E307 R313 V341	N305-N309 PolarHBondContact O-N 3.22Å; N305-N309 PolarHBondContact O-ND2 2.82Å; N305-N309 PolarHBondContact O-OD1 3.01Å; Y306-N309 PolarHBondContact O-N 3.39Å; E307-N309 VanDerWaalsContact C-N 3.34Å; N309-R313 WeakPolarHBondContact O-CB 3.31Å; N309-R313 VanDerWaalsContact O-CG 3.29Å; N309-R313 WeakPolarHBondContact O-CG 3.38Å; N309-R313 PolarHBondContact O-N 3.24Å; N309-V341 HydrophobicContact CB-CG1 4.26Å; N309-V341 HydrophobicContact CB-CG2 4.39Å
310	E	64	Low	58.6	Low	110 Å²	110	69.8 Å²	69.8	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-41.2	177.9	-172.8	179.9	-166.1	0	0	111.6	A308 R313 T314	A308-E310 PolarHBondContact O-N 3.29Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-T314 PolarHBondContact O-N 3.42Å; E310-T314 PolarHBondContact O-OG1 3.45Å
311	I	61.1	Low	58.5	Low	5 Å²	5	69.3 Å²	69.3	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-43.7	179.5	-66.9	165.9	0	0	0	110.4	K261 M265 F299 Y303 E307 A308 R313 T314 I315	K261-I311 HydrophobicContact CD-CD1 4.18Å; K261-I311 HydrophobicContact CG-CD1 4.07Å; M265-I311 HydrophobicContact CE-CG2 4.46Å; M265-I311 HydrophobicContact SD-CG2 3.47Å; M265-I311 WeakPolarHBondContact SD-CG2 3.47Å; F299-I311 HydrophobicContact CD2-CG2 4.21Å; F299-I311 HydrophobicContact CE1-CG2 4.4Å; F299-I311 HydrophobicContact CE2-CB 3.7Å; F299-I311 HydrophobicContact CE2-CD1 3.57Å; F299-I311 HydrophobicContact CE2-CG1 4.23Å; F299-I311 HydrophobicContact CE2-CG2 3.24Å; F299-I311 HydrophobicContact CZ-CB 3.56Å; F299-I311 HydrophobicContact CZ-CD1 4.14Å; F299-I311 HydrophobicContact CZ-CG1 4.45Å; F299-I311 HydrophobicContact CZ-CG2 3.36Å; Y303-I311 HydrophobicContact CD1-CD1 4.37Å; Y303-I311 HydrophobicContact CE1-CD1 4.07Å; Y303-I311 HydrophobicContact CE2-CD1 4.33Å; E307-I311 WeakPolarHBondContact O-CD1 3.45Å; E307-I311 WeakPolarHBondContact O-CG1 3.47Å; E307-I311 PolarHBondContact O-N 3.47Å; A308-I311 PolarHBondContact O-N 2.92Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.14Å; I311-T314 PolarHBondContact O-N 3.32Å; I311-T314 VanDerWaalsContact O-N 3.08Å; I311-I315 HydrophobicContact CG2-CD1 3.35Å; I311-I315 HydrophobicContact CG2-CG1 4.21Å; I311-I315 WeakPolarHBondContact O-CB 3.41Å; I311-I315 WeakPolarHBondContact O-CD1 3.4Å; I311-I315 VanDerWaalsContact O-CG1 3.25Å; I311-I315 WeakPolarHBondContact O-CG1 3.24Å; I311-I315 PolarHBondContact O-N 2.94Å
312	L	62.6	Low	58.3	Low	5 Å²	5	63.4 Å²	63.4	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-55.2	-46	170.8	-68.7	168	0	0	0	110.5	F299 A308 T314 I315 F316 Q338 V341	F299-L312 HydrophobicContact CE1-CD2 3.99Å; F299-L312 HydrophobicContact CE1-CG 4.07Å; A308-L312 WeakPolarHBondContact O-CB 3.42Å; A308-L312 WeakPolarHBondContact O-CG 3.37Å; A308-L312 PolarHBondContact O-N 3.27Å; L312-T314 VanDerWaalsContact C-N 3.28Å; L312-T314 PolarHBondContact O-N 3.08Å; L312-I315 PolarHBondContact O-N 3.26Å; L312-F316 HydrophobicContact CB-CD2 3.77Å; L312-F316 HydrophobicContact CB-CE2 3.73Å; L312-F316 HydrophobicContact CD2-CD2 4.17Å; L312-F316 HydrophobicContact CD2-CE2 3.28Å; L312-F316 HydrophobicContact CD2-CZ 3.82Å; L312-F316 HydrophobicContact CG-CE2 4Å; L312-F316 WeakPolarHBondContact O-CB 3.36Å; L312-F316 WeakPolarHBondContact O-CD2 3.27Å; L312-F316 WeakPolarHBondContact O-CG 3.26Å; L312-F316 PolarHBondContact O-N 2.64Å; L312-Q338 HydrophobicContact CD1-CB 3.79Å; L312-Q338 HydrophobicContact CD1-CG 3.94Å; L312-V341 HydrophobicContact CB-CG1 4.5Å
313	R	64.2	Low	58.1	Low	134 Å²	134	60.9 Å²	60.9	51%	0.506	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-38.9	175.8	-79.7	176.1	178	169.9	-0.3	113.6	N309 E310 I311 A317 V341	N309-R313 WeakPolarHBondContact O-CB 3.31Å; N309-R313 VanDerWaalsContact O-CG 3.29Å; N309-R313 WeakPolarHBondContact O-CG 3.38Å; N309-R313 PolarHBondContact O-N 3.24Å; E310-R313 PolarHBondContact O-N 2.96Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.14Å; R313-A317 WeakPolarHBondContact O-CB 3.17Å; R313-A317 PolarHBondContact O-N 2.83Å; R313-V341 HydrophobicContact CG-CG1 3.56Å
314	T	64.1	Low	58	Low	85 Å²	85	61.5 Å²	61.5	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-42.9	-177.6	-52.2	0	0	0	0	111.2	M265 E310 I311 L312	M265-T314 HydrophobicContact CE-CG2 3.81Å; E310-T314 PolarHBondContact O-N 3.42Å; E310-T314 PolarHBondContact O-OG1 3.45Å; I311-T314 PolarHBondContact O-N 3.32Å; I311-T314 VanDerWaalsContact O-N 3.08Å; L312-T314 VanDerWaalsContact C-N 3.28Å; L312-T314 PolarHBondContact O-N 3.08Å
315	I	61.3	Low	58.3	Low	11 Å²	11	51.5 Å²	51.5	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-68.8	-40.9	178.7	-66.4	160.4	0	0	0	110.9	M265 M268 I311 L312 A317 T321	M265-I315 HydrophobicContact CE-CD1 4.41Å; M265-I315 HydrophobicContact CE-CG1 3.73Å; M265-I315 HydrophobicContact SD-CD1 3.79Å; M265-I315 HydrophobicContact SD-CG1 3.75Å; M268-I315 HydrophobicContact CE-CD1 3.55Å; M268-I315 HydrophobicContact CE-CG1 4.39Å; M268-I315 HydrophobicContact CE-CG2 4.03Å; M268-I315 HydrophobicContact SD-CD1 3.47Å; M268-I315 WeakPolarHBondContact SD-CD1 3.44Å; M268-I315 HydrophobicContact SD-CG1 4.49Å; I311-I315 HydrophobicContact CG2-CD1 3.35Å; I311-I315 HydrophobicContact CG2-CG1 4.21Å; I311-I315 WeakPolarHBondContact O-CB 3.41Å; I311-I315 WeakPolarHBondContact O-CD1 3.4Å; I311-I315 VanDerWaalsContact O-CG1 3.25Å; I311-I315 WeakPolarHBondContact O-CG1 3.24Å; I311-I315 PolarHBondContact O-N 2.94Å; L312-I315 PolarHBondContact O-N 3.26Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.29Å; I315-T321 HydrophobicContact CG2-CG2 3.6Å
316	F	59.9	Low	58.6	Low	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.2	-175.2	-62.5	-43.8	0	0	0	114.4	L312 F322 V325 A342	L312-F316 HydrophobicContact CB-CD2 3.77Å; L312-F316 HydrophobicContact CB-CE2 3.73Å; L312-F316 HydrophobicContact CD2-CD2 4.17Å; L312-F316 HydrophobicContact CD2-CE2 3.28Å; L312-F316 HydrophobicContact CD2-CZ 3.82Å; L312-F316 HydrophobicContact CG-CE2 4Å; L312-F316 WeakPolarHBondContact O-CB 3.36Å; L312-F316 WeakPolarHBondContact O-CD2 3.27Å; L312-F316 WeakPolarHBondContact O-CG 3.26Å; L312-F316 PolarHBondContact O-N 2.64Å; F316-F322 HydrophobicContact CB-CD2 3.79Å; F316-F322 HydrophobicContact CD1-CB 3.9Å; F316-F322 AromaticContact CD1-CD2 3.21Å; F316-F322 HydrophobicContact CD1-CD2 3.21Å; F316-F322 HydrophobicContact CD1-CE2 4.06Å; F316-F322 AromaticContact CD1-CG 3.96Å; F316-F322 HydrophobicContact CD1-CG 3.96Å; F316-F322 HydrophobicContact CD2-CD2 4.43Å; F316-F322 AromaticContact CE1-CD2 3.72Å; F316-F322 HydrophobicContact CE1-CD2 3.72Å; F316-F322 HydrophobicContact CE1-CE2 4.27Å; F316-F322 HydrophobicContact CE1-CG 4.48Å; F316-F322 AromaticContact CG-CD2 3.59Å; F316-F322 HydrophobicContact CG-CD2 3.59Å; F316-F322 HydrophobicContact CG-CE2 4.26Å; F316-V325 HydrophobicContact CE1-CB 4.39Å; F316-V325 HydrophobicContact CE1-CG1 4.13Å; F316-A342 HydrophobicContact CD2-CB 3.55Å; F316-A342 HydrophobicContact CE2-CB 3.24Å; F316-A342 HydrophobicContact CG-CB 4.49Å; F316-A342 HydrophobicContact CZ-CB 3.98Å
317	A	55.6	Low	58.8	Low	63 Å²	63	41.7 Å²	41.7	52%	0.521	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.9	168.7	0	0	0	0	0	112.6	R313 I315 V349	R313-A317 WeakPolarHBondContact O-CB 3.17Å; R313-A317 PolarHBondContact O-N 2.83Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.29Å; A317-V349 VanDerWaalsContact O-CG2 3.29Å; A317-V349 WeakPolarHBondContact O-CG2 2.84Å
318	D	58.8	Low	58.8	Low	71 Å²	71	38 Å²	38	38%	0.38	20%	0.201	S	C	.	.	S	Bend	trans	-100.1	114.9	172.7	173.5	10.6	0	0	0	109.5	N320 T321 F322	D318-N320 VanDerWaalsContact C-N 3.28Å; D318-N320 PolarHBondContact O-N 3.01Å; D318-N320 PolarHBondContact OD1-N 2.96Å; D318-T321 PolarHBondContact O-N 3.45Å; D318-T321 WeakPolarHBondContact OD2-CB 2.81Å; D318-T321 PolarHBondContact OD2-OG1 2.91Å; D318-F322 PolarHBondContact O-N 2.72Å
319	S	51.5	Low	58.8	Low	16 Å²	16	38.5 Å²	38.5	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-52.6	-45.7	-177.1	34.4	0	0	0	0	112.4	F322 S323 L358	S319-F322 PolarHBondContact O-N 2.75Å; S319-S323 WeakPolarHBondContact O-CB 3.5Å; S319-S323 PolarHBondContact O-N 2.92Å; S319-S323 VanDerWaalsContact O-N 3.08Å; S319-L358 VanDerWaalsContact CB-CD1 3.42Å
320	N	55.4	Low	58.4	Low	108 Å²	108	38.1 Å²	38.1	58%	0.578	20%	0.203	S	C	*	.	H	α-helix	trans	-71.5	-39	-173.6	-68.6	-22	0	0	0	110.4	D318 S323 L324	D318-N320 VanDerWaalsContact C-N 3.28Å; D318-N320 PolarHBondContact O-N 3.01Å; D318-N320 PolarHBondContact OD1-N 2.96Å; N320-S323 WeakPolarHBondContact O-CB 3.5Å; N320-L324 PolarHBondContact O-N 3.16Å
321	T	56.6	Low	57.9	Low	8 Å²	8	34.1 Å²	34.1	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-40	175.9	-67.4	0	0	0	0	112.2	S272 I315 D318 V325	S272-T321 WeakPolarHBondContact CB-OG1 3.48Å; S272-T321 WeakPolarHBondContact OG-CG2 3.3Å; S272-T321 PolarHBondContact OG-OG1 3.31Å; I315-T321 HydrophobicContact CG2-CG2 3.6Å; D318-T321 PolarHBondContact O-N 3.45Å; D318-T321 WeakPolarHBondContact OD2-CB 2.81Å; D318-T321 PolarHBondContact OD2-OG1 2.91Å; T321-V325 HydrophobicContact CG2-CG2 4.23Å; T321-V325 VanDerWaalsContact O-CB 3.31Å; T321-V325 WeakPolarHBondContact O-CB 3.27Å; T321-V325 WeakPolarHBondContact O-CG2 3.5Å; T321-V325 PolarHBondContact O-N 3.29Å; T321-V325 VanDerWaalsContact O-N 3.14Å
322	F	56.9	Low	57.6	Low	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-50.5	174.8	176	-86.6	0	0	0	112.1	F316 D318 S319 L324 V325 I326 A342 F346	F316-F322 HydrophobicContact CB-CD2 3.79Å; F316-F322 HydrophobicContact CD1-CB 3.9Å; F316-F322 AromaticContact CD1-CD2 3.21Å; F316-F322 HydrophobicContact CD1-CD2 3.21Å; F316-F322 HydrophobicContact CD1-CE2 4.06Å; F316-F322 AromaticContact CD1-CG 3.96Å; F316-F322 HydrophobicContact CD1-CG 3.96Å; F316-F322 HydrophobicContact CD2-CD2 4.43Å; F316-F322 AromaticContact CE1-CD2 3.72Å; F316-F322 HydrophobicContact CE1-CD2 3.72Å; F316-F322 HydrophobicContact CE1-CE2 4.27Å; F316-F322 HydrophobicContact CE1-CG 4.48Å; F316-F322 AromaticContact CG-CD2 3.59Å; F316-F322 HydrophobicContact CG-CD2 3.59Å; F316-F322 HydrophobicContact CG-CE2 4.26Å; D318-F322 PolarHBondContact O-N 2.72Å; S319-F322 PolarHBondContact O-N 2.75Å; F322-L324 VanDerWaalsContact C-N 3.32Å; F322-L324 PolarHBondContact O-N 3.47Å; F322-V325 PolarHBondContact O-N 3.49Å; F322-I326 HydrophobicContact CD1-CG2 4.02Å; F322-I326 HydrophobicContact CE1-CB 4.22Å; F322-I326 HydrophobicContact CE1-CD1 4Å; F322-I326 HydrophobicContact CE1-CG2 3.65Å; F322-I326 HydrophobicContact CE2-CB 4.37Å; F322-I326 HydrophobicContact CE2-CD1 3.53Å; F322-I326 HydrophobicContact CZ-CB 4.13Å; F322-I326 HydrophobicContact CZ-CD1 3.18Å; F322-I326 HydrophobicContact CZ-CG1 4.22Å; F322-I326 HydrophobicContact CZ-CG2 4.02Å; F322-I326 WeakPolarHBondContact O-CB 3.29Å; F322-I326 WeakPolarHBondContact O-CG2 3.46Å; F322-I326 PolarHBondContact O-N 3.02Å; F322-A342 HydrophobicContact CE2-CB 4.38Å; F322-A342 WeakPolarHBondContact CE2-O 3.34Å; F322-F346 HydrophobicContact CD1-CB 3.98Å; F322-F346 AromaticContact CD1-CD2 3.04Å; F322-F346 HydrophobicContact CD1-CD2 3.04Å; F322-F346 AromaticContact CD1-CE2 3.56Å; F322-F346 HydrophobicContact CD1-CE2 3.56Å; F322-F346 AromaticContact CD1-CG 3.7Å; F322-F346 HydrophobicContact CD1-CG 3.7Å; F322-F346 HydrophobicContact CD2-CB 3.83Å; F322-F346 HydrophobicContact CD2-CD2 4.37Å; F322-F346 HydrophobicContact CD2-CG 4.45Å; F322-F346 HydrophobicContact CE1-CB 3.58Å; F322-F346 AromaticContact CE1-CD1 3.93Å; F322-F346 HydrophobicContact CE1-CD1 3.93Å; F322-F346 AromaticContact CE1-CD2 3Å; F322-F346 HydrophobicContact CE1-CD2 3Å; F322-F346 HydrophobicContact CE1-CE1 4.34Å; F322-F346 AromaticContact CE1-CE2 3.47Å; F322-F346 HydrophobicContact CE1-CE2 3.47Å; F322-F346 VanDerWaalsContact CE1-CE2 3.47Å; F322-F346 AromaticContact CE1-CG 3.22Å; F322-F346 HydrophobicContact CE1-CG 3.22Å; F322-F346 HydrophobicContact CE1-CZ 4.13Å; F322-F346 HydrophobicContact CE2-CB 3.5Å; F322-F346 VanDerWaalsContact CE2-CB 3.5Å; F322-F346 HydrophobicContact CE2-CD2 4.4Å; F322-F346 HydrophobicContact CE2-CG 4.12Å; F322-F346 HydrophobicContact CG-CB 4.09Å; F322-F346 AromaticContact CG-CD2 3.78Å; F322-F346 HydrophobicContact CG-CD2 3.78Å; F322-F346 HydrophobicContact CG-CG 4.3Å; F322-F346 HydrophobicContact CZ-CB 3.32Å; F322-F346 HydrophobicContact CZ-CD1 4.1Å; F322-F346 AromaticContact CZ-CD2 3.75Å; F322-F346 HydrophobicContact CZ-CD2 3.75Å; F322-F346 HydrophobicContact CZ-CE2 4.5Å; F322-F346 AromaticContact CZ-CG 3.46Å; F322-F346 HydrophobicContact CZ-CG 3.46Å; F322-F346 VanDerWaalsContact CZ-CG 3.46Å
323	S	52.2	Low	57.3	Low	13 Å²	13	42.2 Å²	42.2	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-48.7	-50.3	-179.1	148.5	0	0	0	0	112.6	S319 N320 Q327 M362	S319-S323 WeakPolarHBondContact O-CB 3.5Å; S319-S323 PolarHBondContact O-N 2.92Å; S319-S323 VanDerWaalsContact O-N 3.08Å; N320-S323 WeakPolarHBondContact O-CB 3.5Å; S323-Q327 WeakPolarHBondContact O-CG 3.31Å; S323-M362 WeakPolarHBondContact CB-SD 3.33Å; S323-M362 WeakPolarHBondContact OG-CE 3.18Å; S323-M362 PolarHBondContact OG-SD 3.42Å
324	L	56.8	Low	57	Low	26 Å²	26	36.7 Å²	36.7	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-79.4	-32.7	-175.5	-69	165.2	0	0	0	112.7	S272 R292 N320 F322	S272-L324 WeakPolarHBondContact O-CD1 3.35Å; R292-L324 PolarHBondContact NE-O 2.94Å; N320-L324 PolarHBondContact O-N 3.16Å; F322-L324 VanDerWaalsContact C-N 3.32Å; F322-L324 PolarHBondContact O-N 3.47Å
325	V	58.8	Low	57	Low	6 Å²	6	35.3 Å²	35.3	4%	0.036	20%	0.201	C	C	.	.	H	α-helix	trans	-79.4	-37.8	-177.2	173.9	0	0	0	0	111.8	M268 V296 F316 T321 F322 L329	M268-V325 HydrophobicContact CE-CG1 4.24Å; V296-V325 HydrophobicContact CG2-CG1 3.86Å; F316-V325 HydrophobicContact CE1-CB 4.39Å; F316-V325 HydrophobicContact CE1-CG1 4.13Å; T321-V325 HydrophobicContact CG2-CG2 4.23Å; T321-V325 VanDerWaalsContact O-CB 3.31Å; T321-V325 WeakPolarHBondContact O-CB 3.27Å; T321-V325 WeakPolarHBondContact O-CG2 3.5Å; T321-V325 PolarHBondContact O-N 3.29Å; T321-V325 VanDerWaalsContact O-N 3.14Å; F322-V325 PolarHBondContact O-N 3.49Å; V325-L329 HydrophobicContact CG1-CD1 4.22Å; V325-L329 PolarHBondContact O-N 2.97Å
326	I	57.8	Low	57	Low	10 Å²	10	37.1 Å²	37.1	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-74.3	-34.2	-174.9	-159	160.3	0	0	0	113.3	F322 D328 L329 V366	F322-I326 HydrophobicContact CD1-CG2 4.02Å; F322-I326 HydrophobicContact CE1-CB 4.22Å; F322-I326 HydrophobicContact CE1-CD1 4Å; F322-I326 HydrophobicContact CE1-CG2 3.65Å; F322-I326 HydrophobicContact CE2-CB 4.37Å; F322-I326 HydrophobicContact CE2-CD1 3.53Å; F322-I326 HydrophobicContact CZ-CB 4.13Å; F322-I326 HydrophobicContact CZ-CD1 3.18Å; F322-I326 HydrophobicContact CZ-CG1 4.22Å; F322-I326 HydrophobicContact CZ-CG2 4.02Å; F322-I326 WeakPolarHBondContact O-CB 3.29Å; F322-I326 WeakPolarHBondContact O-CG2 3.46Å; F322-I326 PolarHBondContact O-N 3.02Å; I326-D328 PolarHBondContact O-N 2.92Å; I326-L329 VanDerWaalsContact O-CB 3.31Å; I326-L329 WeakPolarHBondContact O-CB 3.34Å; I326-L329 PolarHBondContact O-N 3.29Å; I326-V366 HydrophobicContact CD1-CG1 4.02Å; I326-V366 HydrophobicContact CD1-CG2 3.83Å; I326-V366 HydrophobicContact CG1-CG2 4.09Å; I326-V366 HydrophobicContact CG2-CG2 3.7Å
327	Q	56.3	Low	57.1	Low	79 Å²	79	41.7 Å²	41.7	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-64.6	-29	178.8	-70.4	-177.9	12.9	0	0	112.7	S323	S323-Q327 WeakPolarHBondContact O-CG 3.31Å
328	D	58.7	Low	57.5	Low	13 Å²	13	39 Å²	39	7%	0.07	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.8	-179.8	-72.3	-31.7	0	0	0	113.2	K289 R292 Q293 I326 P330	K289-D328 WeakPolarHBondContact CA-OD2 3.26Å; K289-D328 WeakPolarHBondContact CD-OD1 3.34Å; K289-D328 WeakPolarHBondContact CE-OD1 3.44Å; K289-D328 HydrophobicContact CG-CB 4.21Å; K289-D328 WeakPolarHBondContact CG-OD1 3.47Å; K289-D328 IonicContact NZ-OD1 3.36Å; K289-D328 PolarHBondContact NZ-OD1 3.1Å; R292-D328 HydrophobicContact CB-CB 4.31Å; R292-D328 IonicContact CZ-OD2 3.31Å; R292-D328 IonicContact NE-OD2 2.65Å; R292-D328 PolarHBondContact NE-OD2 3.34Å; R292-D328 IonicContact NH2-OD2 3.93Å; R292-D328 PolarHBondContact NH2-OD2 2.96Å; Q293-D328 HydrophobicContact CG-CB 4.33Å; Q293-D328 WeakPolarHBondContact CG-O 3.49Å; Q293-D328 PolarHBondContact NE2-O 3.28Å; I326-D328 PolarHBondContact O-N 2.92Å; D328-P330 VanDerWaalsContact O-CD 3.25Å; D328-P330 WeakPolarHBondContact O-CD 3.25Å
329	L	60	Low	57.8	Low	10 Å²	10	36.1 Å²	36.1	5%	0.052	20%	0.196	C	C	.	.			trans	-74.7	118.2	-175.5	-149.5	123.2	0	0	0	110.7	V296 V325 I326 V331 L334	V296-L329 HydrophobicContact CB-CD1 4.39Å; V296-L329 HydrophobicContact CG1-CD1 3.39Å; V296-L329 HydrophobicContact CG1-CG 3.75Å; V296-L329 HydrophobicContact CG2-CD1 4.11Å; V325-L329 HydrophobicContact CG1-CD1 4.22Å; V325-L329 PolarHBondContact O-N 2.97Å; I326-L329 VanDerWaalsContact O-CB 3.31Å; I326-L329 WeakPolarHBondContact O-CB 3.34Å; I326-L329 PolarHBondContact O-N 3.29Å; L329-V331 WeakPolarHBondContact O-CG2 3.28Å; L329-V331 PolarHBondContact O-N 3.18Å; L329-V331 VanDerWaalsContact O-N 3.08Å; L329-L334 HydrophobicContact CD2-CD1 3.22Å; L329-L334 HydrophobicContact CD2-CD2 3.74Å; L329-L334 HydrophobicContact CD2-CG 3.25Å
330	P	54.9	Low	58.6	Low	25 Å²	25	36.8 Å²	36.8	16%	0.162	20%	0.196	C	C	.	.			trans	-67.5	111.4	171.1	-13.2	28.1	0	0	0	108	Q293 D328 N332 L333	Q293-P330 HydrophobicContact CG-CG 4.31Å; D328-P330 VanDerWaalsContact O-CD 3.25Å; D328-P330 WeakPolarHBondContact O-CD 3.25Å; P330-N332 WeakPolarHBondContact CA-OD1 3.48Å; P330-N332 WeakPolarHBondContact CB-OD1 3.27Å; P330-N332 PolarHBondContact O-N 3.38Å; P330-N332 PolarHBondContact O-OD1 2.93Å; P330-L333 HydrophobicContact CB-CD1 3.67Å; P330-L333 HydrophobicContact CB-CG 4.05Å; P330-L333 HydrophobicContact CG-CD1 3.53Å; P330-L333 HydrophobicContact CG-CG 4.45Å; P330-L333 VanDerWaalsContact O-CB 3.26Å; P330-L333 WeakPolarHBondContact O-CB 3.37Å; P330-L333 PolarHBondContact O-N 3.39Å
331	V	52.7	Low	59.1	Low	25 Å²	25	32.3 Å²	32.3	15%	0.152	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20.9	-170.5	170.2	0	0	0	0	113.6	L329 L333 L334 V369 E373	L329-V331 WeakPolarHBondContact O-CG2 3.28Å; L329-V331 PolarHBondContact O-N 3.18Å; L329-V331 VanDerWaalsContact O-N 3.08Å; V331-L333 PolarHBondContact O-N 3.08Å; V331-L334 PolarHBondContact O-N 3.34Å; V331-V369 HydrophobicContact CB-CG1 3.72Å; V331-V369 HydrophobicContact CG1-CG1 3.82Å; V331-V369 HydrophobicContact CG2-CB 4.25Å; V331-V369 HydrophobicContact CG2-CG1 2.93Å; V331-V369 HydrophobicContact CG2-CG2 4.46Å; V331-E373 HydrophobicContact CG1-CG 4.37Å
332	N	53.6	Low	59.4	Low	137 Å²	137	32 Å²	32	73%	0.733	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-61.3	-3.1	163.8	62.6	-27.2	0	0	0	115.2	P330	P330-N332 WeakPolarHBondContact CA-OD1 3.48Å; P330-N332 WeakPolarHBondContact CB-OD1 3.27Å; P330-N332 PolarHBondContact O-N 3.38Å; P330-N332 PolarHBondContact O-OD1 2.93Å
333	L	56.4	Low	59.9	Low	44 Å²	44	32 Å²	32	23%	0.23	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-105.2	-14.4	176.1	-63.5	168.8	0	0	0	114.2	K297 L300 P330 V331	K297-L333 HydrophobicContact CB-CD1 4.43Å; K297-L333 HydrophobicContact CD-CD1 4.19Å; K297-L333 HydrophobicContact CG-CD1 3.28Å; L300-L333 HydrophobicContact CD1-CB 3.64Å; P330-L333 HydrophobicContact CB-CD1 3.67Å; P330-L333 HydrophobicContact CB-CG 4.05Å; P330-L333 HydrophobicContact CG-CD1 3.53Å; P330-L333 HydrophobicContact CG-CG 4.45Å; P330-L333 VanDerWaalsContact O-CB 3.26Å; P330-L333 WeakPolarHBondContact O-CB 3.37Å; P330-L333 PolarHBondContact O-N 3.39Å; V331-L333 PolarHBondContact O-N 3.08Å
334	L	59.5	Low	60.7	Low	18 Å²	18	33.2 Å²	33.2	9%	0.094	18%	0.175	C	C	.	.	S	Bend	trans	-87.7	140.7	175.2	-67.8	175.4	0	0	0	110	L300 L329 V331 Q338 F339	L300-L334 HydrophobicContact CD1-CD2 3.93Å; L300-L334 HydrophobicContact CD2-CD2 3.81Å; L329-L334 HydrophobicContact CD2-CD1 3.22Å; L329-L334 HydrophobicContact CD2-CD2 3.74Å; L329-L334 HydrophobicContact CD2-CG 3.25Å; V331-L334 PolarHBondContact O-N 3.34Å; L334-Q338 HydrophobicContact CB-CB 4.39Å; L334-Q338 HydrophobicContact CD2-CB 3.81Å; L334-F339 HydrophobicContact CD1-CB 4.16Å; L334-F339 HydrophobicContact CD1-CD2 4.18Å
335	T	63.3	Low	61.1	Low	56 Å²	56	32.6 Å²	32.6	34%	0.344	17%	0.173	S	C	.	.			trans	-74.5	155.6	155.9	66.9	0	0	0	0	109.2	D337 Q338 F339	T335-D337 PolarHBondContact O-N 3.21Å; T335-Q338 WeakPolarHBondContact O-CB 3.44Å; T335-Q338 PolarHBondContact O-N 3.06Å; T335-Q338 VanDerWaalsContact OG1-CG 3.29Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.37Å; T335-Q338 PolarHBondContact OG1-N 3.47Å; T335-F339 PolarHBondContact O-N 2.97Å
336	M	60.9	Low	61.4	Low	48 Å²	48	32.4 Å²	32.4	24%	0.236	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-35.7	176.9	-67.8	-50.7	-91.9	0	0	113	Q338 F339 F340 L376 T380	M336-Q338 VanDerWaalsContact C-N 3.35Å; M336-Q338 PolarHBondContact O-N 3.2Å; M336-F339 WeakPolarHBondContact O-CB 3.39Å; M336-F339 PolarHBondContact O-N 3.17Å; M336-F340 HydrophobicContact CB-CE2 4.24Å; M336-F340 WeakPolarHBondContact O-CD2 3.19Å; M336-F340 PolarHBondContact O-N 3.32Å; M336-L376 HydrophobicContact CE-CD2 3.98Å; M336-T380 HydrophobicContact CE-CG2 3.11Å
337	D	63.2	Low	61.8	Low	100 Å²	100	32 Å²	32	54%	0.535	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-42.1	174.5	-67	-23.9	0	0	0	112.2	T335 F340 V341	T335-D337 PolarHBondContact O-N 3.21Å; D337-F340 PolarHBondContact O-N 3.27Å; D337-V341 VanDerWaalsContact O-CG2 3.28Å; D337-V341 WeakPolarHBondContact O-CG2 3.39Å; D337-V341 PolarHBondContact O-N 2.84Å
338	Q	63.8	Low	62.2	Low	7 Å²	7	35.2 Å²	35.2	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-36.1	178.1	-69.6	168.6	-20.3	0	0	111.4	L312 L334 T335 M336 A342	L312-Q338 HydrophobicContact CD1-CB 3.79Å; L312-Q338 HydrophobicContact CD1-CG 3.94Å; L334-Q338 HydrophobicContact CB-CB 4.39Å; L334-Q338 HydrophobicContact CD2-CB 3.81Å; T335-Q338 WeakPolarHBondContact O-CB 3.44Å; T335-Q338 PolarHBondContact O-N 3.06Å; T335-Q338 VanDerWaalsContact OG1-CG 3.29Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.37Å; T335-Q338 PolarHBondContact OG1-N 3.47Å; M336-Q338 VanDerWaalsContact C-N 3.35Å; M336-Q338 PolarHBondContact O-N 3.2Å; Q338-A342 WeakPolarHBondContact O-CB 3.39Å; Q338-A342 PolarHBondContact O-N 3.49Å
339	F	65.4	Low	62.4	Low	10 Å²	10	35 Å²	35	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-47.1	172.8	178.6	-99.8	0	0	0	111.8	L334 T335 M336 V341 A342 Y343 V366 A370 F384	L334-F339 HydrophobicContact CD1-CB 4.16Å; L334-F339 HydrophobicContact CD1-CD2 4.18Å; T335-F339 PolarHBondContact O-N 2.97Å; M336-F339 WeakPolarHBondContact O-CB 3.39Å; M336-F339 PolarHBondContact O-N 3.17Å; F339-V341 VanDerWaalsContact C-N 3.34Å; F339-V341 PolarHBondContact O-N 3.16Å; F339-A342 PolarHBondContact O-N 2.68Å; F339-Y343 VanDerWaalsContact O-CB 3.26Å; F339-Y343 WeakPolarHBondContact O-CB 3.33Å; F339-Y343 PolarHBondContact O-N 3.4Å; F339-V366 HydrophobicContact CE2-CG1 4Å; F339-V366 HydrophobicContact CZ-CG1 4.15Å; F339-A370 HydrophobicContact CE1-CB 4.49Å; F339-A370 HydrophobicContact CZ-CB 3.99Å; F339-F384 AromaticContact CE1-CD2 3.93Å; F339-F384 HydrophobicContact CE1-CD2 3.93Å; F339-F384 AromaticContact CE1-CE2 3.47Å; F339-F384 HydrophobicContact CE1-CE2 3.47Å; F339-F384 VanDerWaalsContact CE1-CE2 3.47Å; F339-F384 HydrophobicContact CE1-CZ 4.38Å; F339-F384 AromaticContact CZ-CE2 3.97Å; F339-F384 HydrophobicContact CZ-CE2 3.97Å
340	F	66.8	Low	62.4	Low	30 Å²	30	34.9 Å²	34.9	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-43.4	176.1	-76.9	-59.8	0	0	0	112.6	M336 D337 Y343 E344 T380 F384 L387	M336-F340 HydrophobicContact CB-CE2 4.24Å; M336-F340 WeakPolarHBondContact O-CD2 3.19Å; M336-F340 PolarHBondContact O-N 3.32Å; D337-F340 PolarHBondContact O-N 3.27Å; F340-Y343 PolarHBondContact O-N 2.93Å; F340-E344 VanDerWaalsContact O-CB 3.28Å; F340-E344 WeakPolarHBondContact O-CB 3.38Å; F340-E344 PolarHBondContact O-N 3.36Å; F340-T380 HydrophobicContact CE2-CG2 3.96Å; F340-T380 HydrophobicContact CZ-CG2 3.61Å; F340-T380 VanDerWaalsContact CZ-O 3.25Å; F340-T380 WeakPolarHBondContact CZ-O 3.29Å; F340-F384 HydrophobicContact CD1-CD2 4.22Å; F340-F384 VanDerWaalsContact CE1-CA 3.47Å; F340-F384 HydrophobicContact CE1-CB 3.66Å; F340-F384 AromaticContact CE1-CD2 3.76Å; F340-F384 HydrophobicContact CE1-CD2 3.76Å; F340-F384 HydrophobicContact CE1-CG 4.21Å; F340-F384 VanDerWaalsContact CE1-N 3.32Å; F340-F384 HydrophobicContact CZ-CB 4.34Å; F340-L387 HydrophobicContact CB-CD2 4.46Å; F340-L387 HydrophobicContact CD1-CD2 3.98Å; F340-L387 WeakPolarHBondContact O-CD2 3.29Å
341	V	66.6	Low	62.6	Low	14 Å²	14	35.4 Å²	35.4	9%	0.085	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-41.9	178.4	170.5	0	0	0	0	111.4	N309 L312 R313 D337 F339 S345	N309-V341 HydrophobicContact CB-CG1 4.26Å; N309-V341 HydrophobicContact CB-CG2 4.39Å; L312-V341 HydrophobicContact CB-CG1 4.5Å; R313-V341 HydrophobicContact CG-CG1 3.56Å; D337-V341 VanDerWaalsContact O-CG2 3.28Å; D337-V341 WeakPolarHBondContact O-CG2 3.39Å; D337-V341 PolarHBondContact O-N 2.84Å; F339-V341 VanDerWaalsContact C-N 3.34Å; F339-V341 PolarHBondContact O-N 3.16Å; V341-S345 PolarHBondContact O-N 2.88Å
342	A	63	Low	63	Low	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-46.9	176.2	0	0	0	0	0	111.8	F316 F322 Q338 F339 S345 F346	F316-A342 HydrophobicContact CD2-CB 3.55Å; F316-A342 HydrophobicContact CE2-CB 3.24Å; F316-A342 HydrophobicContact CG-CB 4.49Å; F316-A342 HydrophobicContact CZ-CB 3.98Å; F322-A342 HydrophobicContact CE2-CB 4.38Å; F322-A342 WeakPolarHBondContact CE2-O 3.34Å; Q338-A342 WeakPolarHBondContact O-CB 3.39Å; Q338-A342 PolarHBondContact O-N 3.49Å; F339-A342 PolarHBondContact O-N 2.68Å; A342-S345 PolarHBondContact O-N 2.83Å; A342-F346 PolarHBondContact O-N 3.38Å; A342-F346 VanDerWaalsContact O-N 3.12Å
343	Y	67.2	Low	63	Low	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69	-35.8	-178.3	-164.4	-105.6	0	0	0	112.8	F339 F340 F346 L347 V366 F384 L387 I388 H412	F339-Y343 VanDerWaalsContact O-CB 3.26Å; F339-Y343 WeakPolarHBondContact O-CB 3.33Å; F339-Y343 PolarHBondContact O-N 3.4Å; F340-Y343 PolarHBondContact O-N 2.93Å; Y343-F346 HydrophobicContact CD2-CD1 4.48Å; Y343-F346 HydrophobicContact CE2-CD1 4.41Å; Y343-F346 WeakPolarHBondContact O-CB 3.37Å; Y343-F346 PolarHBondContact O-N 2.76Å; Y343-L347 HydrophobicContact CD1-CD1 3.65Å; Y343-L347 HydrophobicContact CD1-CG 4.1Å; Y343-L347 HydrophobicContact CE1-CD1 3.56Å; Y343-L347 HydrophobicContact CE1-CD2 4.23Å; Y343-L347 HydrophobicContact CE1-CG 3.96Å; Y343-L347 WeakPolarHBondContact O-CG 3.35Å; Y343-L347 PolarHBondContact O-N 3.3Å; Y343-V366 HydrophobicContact CD2-CG1 3.86Å; Y343-V366 HydrophobicContact CE2-CG1 3.87Å; Y343-F384 HydrophobicContact CD1-CD2 4.07Å; Y343-F384 AromaticContact CD1-CE2 3.37Å; Y343-F384 HydrophobicContact CD1-CE2 3.37Å; Y343-F384 AromaticContact CD1-CZ 3.88Å; Y343-F384 HydrophobicContact CD1-CZ 3.88Å; Y343-F384 HydrophobicContact CD2-CE2 4.13Å; Y343-F384 HydrophobicContact CD2-CZ 4.35Å; Y343-F384 HydrophobicContact CE1-CD2 4.1Å; Y343-F384 HydrophobicContact CE1-CE1 4.06Å; Y343-F384 AromaticContact CE1-CE2 3.27Å; Y343-F384 HydrophobicContact CE1-CE2 3.27Å; Y343-F384 AromaticContact CE1-CZ 3.26Å; Y343-F384 HydrophobicContact CE1-CZ 3.26Å; Y343-F384 HydrophobicContact CE2-CE2 4.07Å; Y343-F384 AromaticContact CE2-CZ 3.83Å; Y343-F384 HydrophobicContact CE2-CZ 3.83Å; Y343-F384 AromaticContact CG-CE2 3.77Å; Y343-F384 HydrophobicContact CG-CE2 3.77Å; Y343-F384 HydrophobicContact CG-CZ 4.35Å; Y343-F384 AromaticContact CZ-CE2 3.63Å; Y343-F384 AromaticContact CZ-CZ 3.22Å; Y343-F384 VanDerWaalsContact OH-CZ 3.27Å; Y343-F384 WeakPolarHBondContact OH-CZ 3.42Å; Y343-L387 HydrophobicContact CD1-CD2 3.92Å; Y343-I388 HydrophobicContact CE1-CD1 4.17Å; Y343-I388 HydrophobicContact CE1-CG1 3.75Å; Y343-H412 AromaticContact CZ-NE2 3.77Å; Y343-H412 PolarHBondContact OH-CD2 2.92Å; Y343-H412 PolarHBondContact OH-NE2 3.27Å
344	E	68.5	Low	62.9	Low	40 Å²	40	42.3 Å²	42.3	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-49	172.8	178.1	170.5	-164.2	0	0	111.1	F340 F346 L347 R348 L387	F340-E344 VanDerWaalsContact O-CB 3.28Å; F340-E344 WeakPolarHBondContact O-CB 3.38Å; F340-E344 PolarHBondContact O-N 3.36Å; E344-F346 VanDerWaalsContact C-N 3.3Å; E344-F346 PolarHBondContact O-N 3.08Å; E344-L347 PolarHBondContact O-N 3.29Å; E344-R348 WeakPolarHBondContact O-CG 3.29Å; E344-R348 PolarHBondContact O-N 3.5Å; E344-R348 IonicContact OE1-CZ 3.1Å; E344-R348 IonicContact OE1-NE 3Å; E344-R348 IonicContact OE1-NH2 2.75Å; E344-R348 PolarHBondContact OE1-NH2 3.23Å; E344-L387 HydrophobicContact CB-CD1 3.45Å; E344-L387 VanDerWaalsContact CB-CD1 3.45Å; E344-L387 HydrophobicContact CB-CD2 3.97Å; E344-L387 HydrophobicContact CB-CG 4.22Å; E344-L387 HydrophobicContact CG-CD1 3.55Å
345	S	65.4	Low	62.6	Low	13 Å²	13	41.5 Å²	41.5	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-43.8	177.7	-76.1	0	0	0	0	111.3	V341 A342 R348 V349	V341-S345 PolarHBondContact O-N 2.88Å; A342-S345 PolarHBondContact O-N 2.83Å; S345-R348 PolarHBondContact O-N 2.9Å; S345-V349 WeakPolarHBondContact O-CG2 3.38Å; S345-V349 PolarHBondContact O-N 3.42Å; S345-V349 VanDerWaalsContact O-N 3.09Å
346	F	66	Low	62.1	Low	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-48.3	176.4	173.7	-111.6	0	0	0	114	F322 A342 Y343 E344 R348 V349 L350 L358 V363	F322-F346 HydrophobicContact CD1-CB 3.98Å; F322-F346 AromaticContact CD1-CD2 3.04Å; F322-F346 HydrophobicContact CD1-CD2 3.04Å; F322-F346 AromaticContact CD1-CE2 3.56Å; F322-F346 HydrophobicContact CD1-CE2 3.56Å; F322-F346 AromaticContact CD1-CG 3.7Å; F322-F346 HydrophobicContact CD1-CG 3.7Å; F322-F346 HydrophobicContact CD2-CB 3.83Å; F322-F346 HydrophobicContact CD2-CD2 4.37Å; F322-F346 HydrophobicContact CD2-CG 4.45Å; F322-F346 HydrophobicContact CE1-CB 3.58Å; F322-F346 AromaticContact CE1-CD1 3.93Å; F322-F346 HydrophobicContact CE1-CD1 3.93Å; F322-F346 AromaticContact CE1-CD2 3Å; F322-F346 HydrophobicContact CE1-CD2 3Å; F322-F346 HydrophobicContact CE1-CE1 4.34Å; F322-F346 AromaticContact CE1-CE2 3.47Å; F322-F346 HydrophobicContact CE1-CE2 3.47Å; F322-F346 VanDerWaalsContact CE1-CE2 3.47Å; F322-F346 AromaticContact CE1-CG 3.22Å; F322-F346 HydrophobicContact CE1-CG 3.22Å; F322-F346 HydrophobicContact CE1-CZ 4.13Å; F322-F346 HydrophobicContact CE2-CB 3.5Å; F322-F346 VanDerWaalsContact CE2-CB 3.5Å; F322-F346 HydrophobicContact CE2-CD2 4.4Å; F322-F346 HydrophobicContact CE2-CG 4.12Å; F322-F346 HydrophobicContact CG-CB 4.09Å; F322-F346 AromaticContact CG-CD2 3.78Å; F322-F346 HydrophobicContact CG-CD2 3.78Å; F322-F346 HydrophobicContact CG-CG 4.3Å; F322-F346 HydrophobicContact CZ-CB 3.32Å; F322-F346 HydrophobicContact CZ-CD1 4.1Å; F322-F346 AromaticContact CZ-CD2 3.75Å; F322-F346 HydrophobicContact CZ-CD2 3.75Å; F322-F346 HydrophobicContact CZ-CE2 4.5Å; F322-F346 AromaticContact CZ-CG 3.46Å; F322-F346 HydrophobicContact CZ-CG 3.46Å; F322-F346 VanDerWaalsContact CZ-CG 3.46Å; A342-F346 PolarHBondContact O-N 3.38Å; A342-F346 VanDerWaalsContact O-N 3.12Å; Y343-F346 HydrophobicContact CD2-CD1 4.48Å; Y343-F346 HydrophobicContact CE2-CD1 4.41Å; Y343-F346 WeakPolarHBondContact O-CB 3.37Å; Y343-F346 PolarHBondContact O-N 2.76Å; E344-F346 VanDerWaalsContact C-N 3.3Å; E344-F346 PolarHBondContact O-N 3.08Å; F346-R348 PolarHBondContact O-N 3.06Å; F346-V349 PolarHBondContact O-N 2.89Å; F346-V349 VanDerWaalsContact O-N 3.12Å; F346-L350 HydrophobicContact CD1-CD1 3.93Å; F346-L350 HydrophobicContact CE1-CD1 3.42Å; F346-L350 VanDerWaalsContact CE1-CD1 3.42Å; F346-L350 HydrophobicContact CE1-CG 4.35Å; F346-L350 HydrophobicContact CE2-CD1 4.3Å; F346-L350 HydrophobicContact CE2-CG 4.41Å; F346-L350 HydrophobicContact CZ-CD1 3.65Å; F346-L350 HydrophobicContact CZ-CG 4.19Å; F346-L350 PolarHBondContact O-N 2.98Å; F346-L358 HydrophobicContact CE2-CD2 3.61Å; F346-L358 HydrophobicContact CZ-CD2 4.27Å; F346-V363 HydrophobicContact CE1-CG2 3.72Å; F346-V363 HydrophobicContact CZ-CG2 3.75Å
347	L	65.3	Low	61.6	Low	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-35.1	177.6	-70.1	171.3	0	0	0	111.9	Y343 E344 L350 A351 L387 I388 T391 Y392	Y343-L347 HydrophobicContact CD1-CD1 3.65Å; Y343-L347 HydrophobicContact CD1-CG 4.1Å; Y343-L347 HydrophobicContact CE1-CD1 3.56Å; Y343-L347 HydrophobicContact CE1-CD2 4.23Å; Y343-L347 HydrophobicContact CE1-CG 3.96Å; Y343-L347 WeakPolarHBondContact O-CG 3.35Å; Y343-L347 PolarHBondContact O-N 3.3Å; E344-L347 PolarHBondContact O-N 3.29Å; L347-L350 HydrophobicContact CD2-CD1 4.37Å; L347-L350 PolarHBondContact O-N 2.94Å; L347-A351 PolarHBondContact O-N 3.38Å; L347-L387 HydrophobicContact CD1-CG 4.21Å; L347-I388 HydrophobicContact CD1-CG1 4.05Å; L347-T391 VanDerWaalsContact C-CG2 3.48Å; L347-T391 HydrophobicContact CB-CG2 3.52Å; L347-T391 WeakPolarHBondContact O-CG2 3.47Å; L347-Y392 HydrophobicContact CD2-CE2 4.42Å
348	R	65.3	Low	61.2	Low	147 Å²	147	45.1 Å²	45.1	56%	0.555	23%	0.231	S	C	*	.	H	α-helix	trans	-67.2	-36.7	175.6	-73.8	178.5	-176.3	-163.7	3.2	112.3	E344 S345 F346 A351 T391	E344-R348 WeakPolarHBondContact O-CG 3.29Å; E344-R348 PolarHBondContact O-N 3.5Å; E344-R348 IonicContact OE1-CZ 3.1Å; E344-R348 IonicContact OE1-NE 3Å; E344-R348 IonicContact OE1-NH2 2.75Å; E344-R348 PolarHBondContact OE1-NH2 3.23Å; S345-R348 PolarHBondContact O-N 2.9Å; F346-R348 PolarHBondContact O-N 3.06Å; R348-A351 PolarHBondContact O-N 3.41Å; R348-T391 HydrophobicContact CG-CG2 4.15Å
349	V	62.7	Low	60.7	Low	7 Å²	7	48.8 Å²	48.8	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-39.4	176.8	178.8	0	0	0	0	111.3	A317 S345 F346 A351 L352 L358	A317-V349 VanDerWaalsContact O-CG2 3.29Å; A317-V349 WeakPolarHBondContact O-CG2 2.84Å; S345-V349 WeakPolarHBondContact O-CG2 3.38Å; S345-V349 PolarHBondContact O-N 3.42Å; S345-V349 VanDerWaalsContact O-N 3.09Å; F346-V349 PolarHBondContact O-N 2.89Å; F346-V349 VanDerWaalsContact O-N 3.12Å; V349-A351 PolarHBondContact O-N 3.39Å; V349-L352 WeakPolarHBondContact O-CB 3.35Å; V349-L352 PolarHBondContact O-N 3.28Å; V349-L358 HydrophobicContact CG1-CD1 4.1Å
350	L	60.5	Low	59.9	Low	8 Å²	8	49 Å²	49	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-24.6	171.6	-76.4	168.4	0	0	0	113.5	F346 L347 L358 M405 V408	F346-L350 HydrophobicContact CD1-CD1 3.93Å; F346-L350 HydrophobicContact CE1-CD1 3.42Å; F346-L350 VanDerWaalsContact CE1-CD1 3.42Å; F346-L350 HydrophobicContact CE1-CG 4.35Å; F346-L350 HydrophobicContact CE2-CD1 4.3Å; F346-L350 HydrophobicContact CE2-CG 4.41Å; F346-L350 HydrophobicContact CZ-CD1 3.65Å; F346-L350 HydrophobicContact CZ-CG 4.19Å; F346-L350 PolarHBondContact O-N 2.98Å; L347-L350 HydrophobicContact CD2-CD1 4.37Å; L347-L350 PolarHBondContact O-N 2.94Å; L350-L358 HydrophobicContact CD2-CB 3.71Å; L350-L358 HydrophobicContact CD2-CD1 3.83Å; L350-L358 HydrophobicContact CD2-CD2 4.44Å; L350-L358 HydrophobicContact CD2-CG 4.21Å; L350-L358 HydrophobicContact CG-CD1 4.23Å; L350-M405 HydrophobicContact CB-CE 4.35Å; L350-M405 HydrophobicContact CB-SD 3.98Å; L350-M405 WeakPolarHBondContact O-CE 3.07Å; L350-V408 HydrophobicContact CD1-CG1 4.13Å; L350-V408 HydrophobicContact CD1-CG2 4.41Å; L350-V408 HydrophobicContact CD2-CG2 4.48Å
351	A	57.8	Low	59	Low	37 Å²	37	51 Å²	51	31%	0.306	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.8	177.2	0	0	0	0	0	114	L347 R348 V349	L347-A351 PolarHBondContact O-N 3.38Å; R348-A351 PolarHBondContact O-N 3.41Å; V349-A351 PolarHBondContact O-N 3.39Å
352	L	61.1	Low	58.4	Low	87 Å²	87	51.5 Å²	51.5	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	-83.1	154.9	174.3	-64	173.3	0	0	0	110.8	V349 E354 G355	V349-L352 WeakPolarHBondContact O-CB 3.35Å; V349-L352 PolarHBondContact O-N 3.28Å; L352-E354 PolarHBondContact O-N 2.88Å; L352-E354 VanDerWaalsContact O-N 3.14Å; L352-G355 PolarHBondContact O-N 3.4Å
353	P	54.2	Low	58.1	Low	109 Å²	109	51.5 Å²	51.5	71%	0.708	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57.1	-26.5	175.1	-22.9	32.9	0	0	0	114.1	G355	P353-G355 VanDerWaalsContact C-N 3.26Å
354	E	54.6	Low	57.3	Low	154 Å²	154	53.6 Å²	53.6	72%	0.72	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-79.7	-6.9	177.6	-64.5	164.8	178.4	0	0	112.6	L352 E356	L352-E354 PolarHBondContact O-N 2.88Å; L352-E354 VanDerWaalsContact O-N 3.14Å; E354-E356 VanDerWaalsContact C-N 3.26Å; E354-E356 PolarHBondContact O-N 3.4Å
355	G	53.8	Low	56.6	Low	2 Å²	2	55.3 Å²	55.3	2%	0.021	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-82.7	4.7	175.1	0	0	0	0	0	114.4	L352 P353 D357	L352-G355 PolarHBondContact O-N 3.4Å; P353-G355 VanDerWaalsContact C-N 3.26Å; G355-D357 PolarHBondContact O-N 3.45Å
356	E	52.1	Low	56.1	Low	120 Å²	120	54.9 Å²	54.9	56%	0.561	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-74.1	-4	175.8	-73.6	-173.3	171.9	0	0	114.3	E354 E404	E354-E356 VanDerWaalsContact C-N 3.26Å; E354-E356 PolarHBondContact O-N 3.4Å; E356-E404 VanDerWaalsContact O-CD 3.23Å
357	D	50.6	Low	55.7	Low	151 Å²	151	54.9 Å²	54.9	81%	0.807	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-113.5	14.8	-179.5	-66.5	-44.7	0	0	0	112.6	G355	G355-D357 PolarHBondContact O-N 3.45Å
358	L	54.3	Low	55.2	Low	9 Å²	9	57.7 Å²	57.7	5%	0.047	30%	0.304	C	S	.	.			trans	-96	112.5	-167.9	-117.7	155.8	0	0	0	111.2	S319 F346 V349 L350 C360 E404	S319-L358 VanDerWaalsContact CB-CD1 3.42Å; F346-L358 HydrophobicContact CE2-CD2 3.61Å; F346-L358 HydrophobicContact CZ-CD2 4.27Å; V349-L358 HydrophobicContact CG1-CD1 4.1Å; L350-L358 HydrophobicContact CD2-CB 3.71Å; L350-L358 HydrophobicContact CD2-CD1 3.83Å; L350-L358 HydrophobicContact CD2-CD2 4.44Å; L350-L358 HydrophobicContact CD2-CG 4.21Å; L350-L358 HydrophobicContact CG-CD1 4.23Å; L358-C360 PolarHBondContact O-N 2.88Å; L358-E404 PolarHBondContact N-OE2 3.37Å
359	D	53.9	Low	54.5	Low	83 Å²	83	52.6 Å²	52.6	44%	0.444	29%	0.29	S	S	.	.			trans	-58.5	112.8	-177.7	179.7	10.6	0	0	0	112.1	C361 M362	D359-C361 PolarHBondContact O-N 3.08Å; D359-C361 VanDerWaalsContact OD1-CB 3.26Å; D359-C361 WeakPolarHBondContact OD1-CB 3.23Å; D359-C361 PolarHBondContact OD1-N 2.77Å; D359-C361 PolarHBondContact OD1-SG 2.66Å; D359-M362 HydrophobicContact CB-CE 4.28Å; D359-M362 HydrophobicContact CB-CG 4.24Å; D359-M362 WeakPolarHBondContact O-CB 3.5Å; D359-M362 VanDerWaalsContact O-CG 3.27Å; D359-M362 WeakPolarHBondContact O-CG 3.48Å; D359-M362 PolarHBondContact O-N 3.06Å
360	C	49	Very low	54	Low	15 Å²	15	52.5 Å²	52.5	10%	0.101	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.1	-177.7	-61.6	0	0	0	0	113.8	L358 M362 V363 E404 S407 V408	L358-C360 PolarHBondContact O-N 2.88Å; C360-M362 PolarHBondContact O-N 3.44Å; C360-V363 PolarHBondContact O-N 3.3Å; C360-V363 VanDerWaalsContact O-N 3.16Å; C360-E404 PolarHBondContact SG-O 3.44Å; C360-S407 WeakPolarHBondContact CB-OG 3.16Å; C360-S407 PolarHBondContact SG-OG 3.14Å; C360-V408 HydrophobicContact CB-CG2 4.11Å; C360-V408 VanDerWaalsContact SG-CG2 3.54Å
361	C	47.2	Very low	53.6	Low	73 Å²	73	57.2 Å²	57.2	49%	0.493	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-26.7	168.6	-59.1	0	0	0	0	111.5	D359 V363 M364 N365	D359-C361 PolarHBondContact O-N 3.08Å; D359-C361 VanDerWaalsContact OD1-CB 3.26Å; D359-C361 WeakPolarHBondContact OD1-CB 3.23Å; D359-C361 PolarHBondContact OD1-N 2.77Å; D359-C361 PolarHBondContact OD1-SG 2.66Å; C361-V363 VanDerWaalsContact C-N 3.33Å; C361-V363 PolarHBondContact O-N 3.38Å; C361-M364 PolarHBondContact O-N 3.32Å; C361-N365 PolarHBondContact O-N 3.49Å
362	M	54.8	Low	53	Low	23 Å²	23	62.2 Å²	62.2	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-35.4	176.5	-63.7	-171	174.7	0	0	113.1	S323 D359 C360 M364 N365 V366	S323-M362 WeakPolarHBondContact CB-SD 3.33Å; S323-M362 WeakPolarHBondContact OG-CE 3.18Å; S323-M362 PolarHBondContact OG-SD 3.42Å; D359-M362 HydrophobicContact CB-CE 4.28Å; D359-M362 HydrophobicContact CB-CG 4.24Å; D359-M362 WeakPolarHBondContact O-CB 3.5Å; D359-M362 VanDerWaalsContact O-CG 3.27Å; D359-M362 WeakPolarHBondContact O-CG 3.48Å; D359-M362 PolarHBondContact O-N 3.06Å; C360-M362 PolarHBondContact O-N 3.44Å; M362-M364 VanDerWaalsContact C-N 3.34Å; M362-N365 PolarHBondContact O-N 3.4Å; M362-V366 VanDerWaalsContact O-CG2 3.29Å; M362-V366 WeakPolarHBondContact O-CG2 3.38Å; M362-V366 PolarHBondContact O-N 2.91Å
363	V	54.7	Low	52.6	Low	1 Å²	1	60.6 Å²	60.6	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-43.6	177.3	-173.7	0	0	0	0	110	F346 C360 C361 V366 L367 V408	F346-V363 HydrophobicContact CE1-CG2 3.72Å; F346-V363 HydrophobicContact CZ-CG2 3.75Å; C360-V363 PolarHBondContact O-N 3.3Å; C360-V363 VanDerWaalsContact O-N 3.16Å; C361-V363 VanDerWaalsContact C-N 3.33Å; C361-V363 PolarHBondContact O-N 3.38Å; V363-V366 PolarHBondContact O-N 3.28Å; V363-L367 HydrophobicContact CG1-CD1 3.81Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CB 3.15Å; V363-L367 WeakPolarHBondContact O-CD1 3.13Å; V363-L367 WeakPolarHBondContact O-CG 3.19Å; V363-L367 PolarHBondContact O-N 3Å; V363-V408 HydrophobicContact CB-CG1 4.48Å; V363-V408 HydrophobicContact CG1-CG1 4.05Å; V363-V408 HydrophobicContact CG2-CB 4.26Å; V363-V408 HydrophobicContact CG2-CG1 3.91Å; V363-V408 HydrophobicContact CG2-CG2 3.69Å
364	M	51.5	Low	52.2	Low	44 Å²	44	61.7 Å²	61.7	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-41.5	175	-74.5	-63.6	-55.4	0	0	111.8	C361 M362 V366 L367 D368 S411	C361-M364 PolarHBondContact O-N 3.32Å; M362-M364 VanDerWaalsContact C-N 3.34Å; M364-V366 PolarHBondContact O-N 3.04Å; M364-L367 PolarHBondContact O-N 3.39Å; M364-D368 VanDerWaalsContact O-CB 3.28Å; M364-D368 WeakPolarHBondContact O-CB 3.34Å; M364-D368 PolarHBondContact O-N 3.29Å; M364-S411 WeakPolarHBondContact CG-OG 3.49Å; M364-S411 WeakPolarHBondContact SD-CB 3.31Å; M364-S411 PolarHBondContact SD-OG 2.84Å; M364-S411 VanDerWaalsContact SD-OG 3.4Å
365	N	53.2	Low	52.1	Low	76 Å²	76	61.8 Å²	61.8	41%	0.406	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-40.6	177	-70.9	-19.3	0	0	0	112.3	C361 M362 V369	C361-N365 PolarHBondContact O-N 3.49Å; M362-N365 PolarHBondContact O-N 3.4Å; N365-V369 WeakPolarHBondContact O-CB 3.14Å; N365-V369 WeakPolarHBondContact O-CG2 3.29Å; N365-V369 PolarHBondContact O-N 2.86Å
366	V	56	Low	52.2	Low	3 Å²	3	63.2 Å²	63.2	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-67.9	-36.9	175.8	174.2	0	0	0	0	111.7	I326 F339 Y343 M362 V363 M364 V369 A370	I326-V366 HydrophobicContact CD1-CG1 4.02Å; I326-V366 HydrophobicContact CD1-CG2 3.83Å; I326-V366 HydrophobicContact CG1-CG2 4.09Å; I326-V366 HydrophobicContact CG2-CG2 3.7Å; F339-V366 HydrophobicContact CE2-CG1 4Å; F339-V366 HydrophobicContact CZ-CG1 4.15Å; Y343-V366 HydrophobicContact CD2-CG1 3.86Å; Y343-V366 HydrophobicContact CE2-CG1 3.87Å; M362-V366 VanDerWaalsContact O-CG2 3.29Å; M362-V366 WeakPolarHBondContact O-CG2 3.38Å; M362-V366 PolarHBondContact O-N 2.91Å; V363-V366 PolarHBondContact O-N 3.28Å; M364-V366 PolarHBondContact O-N 3.04Å; V366-V369 WeakPolarHBondContact O-CB 3.38Å; V366-A370 PolarHBondContact O-N 3.35Å
367	L	57.2	Low	52.5	Low	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-73.1	-38.3	175.8	-68.7	169.7	0	0	0	112.4	V363 M364 V369 A370 R371 F384 F415	V363-L367 HydrophobicContact CG1-CD1 3.81Å; V363-L367 HydrophobicContact CG1-CG 4.37Å; V363-L367 WeakPolarHBondContact O-CB 3.15Å; V363-L367 WeakPolarHBondContact O-CD1 3.13Å; V363-L367 WeakPolarHBondContact O-CG 3.19Å; V363-L367 PolarHBondContact O-N 3Å; M364-L367 PolarHBondContact O-N 3.39Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.48Å; L367-A370 WeakPolarHBondContact O-CB 3.47Å; L367-A370 PolarHBondContact O-N 2.9Å; L367-A370 VanDerWaalsContact O-N 3.16Å; L367-R371 VanDerWaalsContact O-CG 3.27Å; L367-R371 WeakPolarHBondContact O-CG 3.48Å; L367-R371 PolarHBondContact O-N 3.19Å; L367-F384 HydrophobicContact CD2-CE1 3.41Å; L367-F384 VanDerWaalsContact CD2-CE1 3.41Å; L367-F384 HydrophobicContact CD2-CZ 3.43Å; L367-F384 VanDerWaalsContact CD2-CZ 3.43Å; L367-F415 HydrophobicContact CB-CB 4.36Å; L367-F415 HydrophobicContact CB-CD2 3.85Å; L367-F415 HydrophobicContact CB-CG 4.33Å; L367-F415 HydrophobicContact CD1-CB 3.91Å; L367-F415 HydrophobicContact CD1-CG 4.47Å; L367-F415 HydrophobicContact CD2-CB 4.06Å; L367-F415 HydrophobicContact CD2-CD1 4.05Å; L367-F415 HydrophobicContact CD2-CD2 3.8Å; L367-F415 HydrophobicContact CD2-CE1 4.44Å; L367-F415 HydrophobicContact CD2-CE2 4.2Å; L367-F415 HydrophobicContact CD2-CG 3.71Å; L367-F415 HydrophobicContact CG-CB 4.34Å; L367-F415 HydrophobicContact CG-CD2 4.33Å; L367-F415 HydrophobicContact CG-CG 4.39Å
368	D	54.4	Low	52.6	Low	61 Å²	61	56.1 Å²	56.1	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-33.7	173.6	-80.9	-19.9	0	0	0	111.7	M364 R371	M364-D368 VanDerWaalsContact O-CB 3.28Å; M364-D368 WeakPolarHBondContact O-CB 3.34Å; M364-D368 PolarHBondContact O-N 3.29Å; D368-R371 WeakPolarHBondContact O-CB 3.43Å; D368-R371 PolarHBondContact O-N 3.45Å; D368-R371 VanDerWaalsContact OD1-CD 3.26Å; D368-R371 WeakPolarHBondContact OD1-CD 2.94Å; D368-R371 IonicContact OD1-CZ 2.77Å; D368-R371 IonicContact OD1-NE 3.61Å; D368-R371 IonicContact OD1-NH1 3.4Å; D368-R371 PolarHBondContact OD1-NH1 2.85Å
369	V	51	Low	52.9	Low	40 Å²	40	59.7 Å²	59.7	24%	0.242	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-44.3	168.8	151.2	0	0	0	0	112.1	V331 N365 V366 L367 R371 L372	V331-V369 HydrophobicContact CB-CG1 3.72Å; V331-V369 HydrophobicContact CG1-CG1 3.82Å; V331-V369 HydrophobicContact CG2-CB 4.25Å; V331-V369 HydrophobicContact CG2-CG1 2.93Å; V331-V369 HydrophobicContact CG2-CG2 4.46Å; N365-V369 WeakPolarHBondContact O-CB 3.14Å; N365-V369 WeakPolarHBondContact O-CG2 3.29Å; N365-V369 PolarHBondContact O-N 2.86Å; V366-V369 WeakPolarHBondContact O-CB 3.38Å; L367-V369 VanDerWaalsContact C-N 3.26Å; L367-V369 PolarHBondContact O-N 3.48Å; V369-R371 VanDerWaalsContact C-N 3.26Å; V369-R371 PolarHBondContact O-N 3.31Å; V369-L372 WeakPolarHBondContact O-CB 3.35Å; V369-L372 PolarHBondContact O-N 3.49Å
370	A	52.7	Low	53.2	Low	6 Å²	6	56.6 Å²	56.6	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-30	174.9	0	0	0	0	0	112.3	F339 V366 L367 L372 E373 L376 F415	F339-A370 HydrophobicContact CE1-CB 4.49Å; F339-A370 HydrophobicContact CZ-CB 3.99Å; V366-A370 PolarHBondContact O-N 3.35Å; L367-A370 WeakPolarHBondContact O-CB 3.47Å; L367-A370 PolarHBondContact O-N 2.9Å; L367-A370 VanDerWaalsContact O-N 3.16Å; A370-L372 PolarHBondContact O-N 3.37Å; A370-E373 PolarHBondContact O-N 3.44Å; A370-L376 WeakPolarHBondContact O-CD1 3.43Å; A370-F415 HydrophobicContact CB-CE2 4.21Å; A370-F415 HydrophobicContact CB-CZ 4.48Å
371	R	51.5	Low	53.7	Low	106 Å²	106	56 Å²	56	40%	0.4	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.7	174.6	-71.5	162.2	114.6	-162.2	-11.9	113.6	L367 D368 V369 E373 F415	L367-R371 VanDerWaalsContact O-CG 3.27Å; L367-R371 WeakPolarHBondContact O-CG 3.48Å; L367-R371 PolarHBondContact O-N 3.19Å; D368-R371 WeakPolarHBondContact O-CB 3.43Å; D368-R371 PolarHBondContact O-N 3.45Å; D368-R371 VanDerWaalsContact OD1-CD 3.26Å; D368-R371 WeakPolarHBondContact OD1-CD 2.94Å; D368-R371 IonicContact OD1-CZ 2.77Å; D368-R371 IonicContact OD1-NE 3.61Å; D368-R371 IonicContact OD1-NH1 3.4Å; D368-R371 PolarHBondContact OD1-NH1 2.85Å; V369-R371 VanDerWaalsContact C-N 3.26Å; V369-R371 PolarHBondContact O-N 3.31Å; R371-E373 VanDerWaalsContact C-N 3.31Å; R371-F415 HydrophobicContact CG-CD2 4.04Å; R371-F415 HydrophobicContact CG-CE2 3.93Å
372	L	45.4	Very low	54.3	Low	142 Å²	142	55.3 Å²	55.3	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.9	-179.9	-69.7	166.1	0	0	0	113.3	V369 A370 P374	V369-L372 WeakPolarHBondContact O-CB 3.35Å; V369-L372 PolarHBondContact O-N 3.49Å; A370-L372 PolarHBondContact O-N 3.37Å; L372-P374 WeakPolarHBondContact O-CD 3.37Å
373	E	52.9	Low	54.7	Low	53 Å²	53	56.7 Å²	56.7	25%	0.248	31%	0.313	C	S	.	.			trans	-79.6	121.3	176	-73.6	-129.5	147.6	0	0	111.9	V331 A370 R371 E375	V331-E373 HydrophobicContact CG1-CG 4.37Å; A370-E373 PolarHBondContact O-N 3.44Å; R371-E373 VanDerWaalsContact C-N 3.31Å; E373-E375 PolarHBondContact O-N 3.23Å; E373-E375 VanDerWaalsContact O-N 3.08Å
374	P	45.2	Very low	55.3	Low	133 Å²	133	57 Å²	57	86%	0.864	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.8	176.3	-17	30.4	0	0	0	114.8	L372	L372-P374 WeakPolarHBondContact O-CD 3.37Å
375	E	53.9	Low	55.8	Low	155 Å²	155	55 Å²	55	72%	0.724	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	31.1	-165.3	-60.7	-170.9	172.8	0	0	114.4	E373 T377	E373-E375 PolarHBondContact O-N 3.23Å; E373-E375 VanDerWaalsContact O-N 3.08Å; E375-T377 PolarHBondContact O-N 3.39Å
376	L	55.7	Low	56.3	Low	33 Å²	33	54.9 Å²	54.9	17%	0.173	31%	0.307	C	S	.	.			trans	-66	93.6	172.5	-80.9	167.4	0	0	0	111.7	M336 A370 T380 V381 H424	M336-L376 HydrophobicContact CE-CD2 3.98Å; A370-L376 WeakPolarHBondContact O-CD1 3.43Å; L376-T380 HydrophobicContact CD2-CG2 4.03Å; L376-V381 HydrophobicContact CB-CG2 4.42Å; L376-V381 HydrophobicContact CD2-CG2 4.31Å; L376-H424 PolarHBondContact O-NE2 3.46Å
377	T	58.7	Low	56.9	Low	71 Å²	71	55.5 Å²	55.5	44%	0.436	31%	0.31	S	S	.	.			trans	-73.8	160.5	175.2	77.8	0	0	0	0	113	E375 S379 T380 V381 H424	E375-T377 PolarHBondContact O-N 3.39Å; T377-S379 VanDerWaalsContact C-N 3.26Å; T377-S379 PolarHBondContact O-N 2.96Å; T377-T380 WeakPolarHBondContact O-CA 3.45Å; T377-T380 VanDerWaalsContact O-CB 3.23Å; T377-T380 WeakPolarHBondContact O-CB 3.28Å; T377-T380 PolarHBondContact O-N 3.13Å; T377-T380 PolarHBondContact OG1-N 2.71Å; T377-T380 PolarHBondContact OG1-OG1 3.12Å; T377-V381 PolarHBondContact O-N 3.02Å; T377-H424 VanDerWaalsContact C-CE1 3.45Å
378	S	52.6	Low	57.2	Low	51 Å²	51	55.9 Å²	55.9	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-35	176.3	-50.8	0	0	0	0	113.7	T380 V381 M382 H424	S378-T380 VanDerWaalsContact C-N 3.27Å; S378-T380 PolarHBondContact O-N 3.31Å; S378-V381 PolarHBondContact O-N 2.89Å; S378-M382 VanDerWaalsContact O-CB 3.28Å; S378-M382 WeakPolarHBondContact O-CB 3.46Å; S378-M382 VanDerWaalsContact O-CG 3.24Å; S378-M382 WeakPolarHBondContact O-CG 3.35Å; S378-M382 PolarHBondContact O-N 3.25Å; S378-H424 WeakPolarHBondContact CA-CE1 3.07Å; S378-H424 VanDerWaalsContact CA-ND1 3.31Å; S378-H424 WeakPolarHBondContact CA-ND1 3.43Å; S378-H424 PolarHBondContact N-CE1 3.49Å; S378-H424 PolarHBondContact OG-CE1 3.06Å; S378-H424 PolarHBondContact OG-ND1 3.41Å
379	S	59.5	Low	57.5	Low	84 Å²	84	53.1 Å²	53.1	59%	0.587	30%	0.297	S	S	*	.	H	α-helix	trans	-61.5	-40.5	174.3	-176.7	0	0	0	0	111.4	T377 S383	T377-S379 VanDerWaalsContact C-N 3.26Å; T377-S379 PolarHBondContact O-N 2.96Å; S379-S383 WeakPolarHBondContact O-CB 3.5Å; S379-S383 PolarHBondContact O-N 3.02Å; S379-S383 PolarHBondContact O-OG 3.18Å
380	T	60.8	Low	58.2	Low	18 Å²	18	53.6 Å²	53.6	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-51.6	179	-53.4	0	0	0	0	111.1	M336 F340 L376 T377 S378 M382 S383 F384	M336-T380 HydrophobicContact CE-CG2 3.11Å; F340-T380 HydrophobicContact CE2-CG2 3.96Å; F340-T380 HydrophobicContact CZ-CG2 3.61Å; F340-T380 VanDerWaalsContact CZ-O 3.25Å; F340-T380 WeakPolarHBondContact CZ-O 3.29Å; L376-T380 HydrophobicContact CD2-CG2 4.03Å; T377-T380 WeakPolarHBondContact O-CA 3.45Å; T377-T380 VanDerWaalsContact O-CB 3.23Å; T377-T380 WeakPolarHBondContact O-CB 3.28Å; T377-T380 PolarHBondContact O-N 3.13Å; T377-T380 PolarHBondContact OG1-N 2.71Å; T377-T380 PolarHBondContact OG1-OG1 3.12Å; S378-T380 VanDerWaalsContact C-N 3.27Å; S378-T380 PolarHBondContact O-N 3.31Å; T380-M382 VanDerWaalsContact C-N 3.27Å; T380-M382 PolarHBondContact O-N 3.32Å; T380-S383 PolarHBondContact O-N 3.37Å; T380-S383 VanDerWaalsContact O-N 3.13Å; T380-F384 WeakPolarHBondContact O-CB 3.32Å; T380-F384 PolarHBondContact O-N 3.41Å
381	V	59.4	Low	58.7	Low	1 Å²	1	54.2 Å²	54.2	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-35.1	-179.6	-178.1	0	0	0	0	111.6	L376 T377 S378 F384 L385 L416 H424	L376-V381 HydrophobicContact CB-CG2 4.42Å; L376-V381 HydrophobicContact CD2-CG2 4.31Å; T377-V381 PolarHBondContact O-N 3.02Å; S378-V381 PolarHBondContact O-N 2.89Å; V381-F384 WeakPolarHBondContact O-CB 2.99Å; V381-F384 PolarHBondContact O-N 3.4Å; V381-L385 HydrophobicContact CG1-CD1 3.92Å; V381-L385 HydrophobicContact CG1-CG 4.42Å; V381-L385 WeakPolarHBondContact O-CB 3.39Å; V381-L385 WeakPolarHBondContact O-CD1 3.47Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.41Å; V381-L416 HydrophobicContact CG1-CD2 4.31Å; V381-H424 HydrophobicContact CB-CB 3.94Å; V381-H424 HydrophobicContact CG1-CB 3.68Å; V381-H424 HydrophobicContact CG2-CB 4.14Å; V381-H424 WeakPolarHBondContact CG2-CD2 3.23Å
382	M	59.3	Low	59	Low	59 Å²	59	49.6 Å²	49.6	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-38.7	173.2	-76	-60.6	-74.9	0	0	113.4	S378 T380 F384 L385 T386 S427 L431	S378-M382 VanDerWaalsContact O-CB 3.28Å; S378-M382 WeakPolarHBondContact O-CB 3.46Å; S378-M382 VanDerWaalsContact O-CG 3.24Å; S378-M382 WeakPolarHBondContact O-CG 3.35Å; S378-M382 PolarHBondContact O-N 3.25Å; T380-M382 VanDerWaalsContact C-N 3.27Å; T380-M382 PolarHBondContact O-N 3.32Å; M382-F384 VanDerWaalsContact C-N 3.29Å; M382-L385 PolarHBondContact O-N 3.48Å; M382-L385 HydrophobicContact SD-CD1 3.96Å; M382-T386 VanDerWaalsContact O-CB 3.28Å; M382-T386 WeakPolarHBondContact O-CB 3.28Å; M382-T386 PolarHBondContact O-N 3.14Å; M382-T386 PolarHBondContact O-OG1 3.25Å; M382-S427 WeakPolarHBondContact SD-CB 3.26Å; M382-L431 HydrophobicContact CE-CD1 3.41Å; M382-L431 VanDerWaalsContact CE-CD1 3.41Å; M382-L431 HydrophobicContact SD-CD1 3.98Å
383	S	63.6	Low	59.5	Low	52 Å²	52	51 Å²	51	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-37.9	174.2	-59.3	0	0	0	0	110.6	S379 T380 T386 L387	S379-S383 WeakPolarHBondContact O-CB 3.5Å; S379-S383 PolarHBondContact O-N 3.02Å; S379-S383 PolarHBondContact O-OG 3.18Å; T380-S383 PolarHBondContact O-N 3.37Å; T380-S383 VanDerWaalsContact O-N 3.13Å; S383-T386 PolarHBondContact O-N 3.4Å; S383-L387 WeakPolarHBondContact O-CB 3.35Å; S383-L387 PolarHBondContact O-N 2.73Å
384	F	66.4	Low	59.5	Low	8 Å²	8	55.3 Å²	55.3	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-47.8	175.9	-162	-109.9	0	0	0	112.3	F339 F340 Y343 L367 T380 V381 M382 L387 I388 F415	F339-F384 AromaticContact CE1-CD2 3.93Å; F339-F384 HydrophobicContact CE1-CD2 3.93Å; F339-F384 AromaticContact CE1-CE2 3.47Å; F339-F384 HydrophobicContact CE1-CE2 3.47Å; F339-F384 VanDerWaalsContact CE1-CE2 3.47Å; F339-F384 HydrophobicContact CE1-CZ 4.38Å; F339-F384 AromaticContact CZ-CE2 3.97Å; F339-F384 HydrophobicContact CZ-CE2 3.97Å; F340-F384 HydrophobicContact CD1-CD2 4.22Å; F340-F384 VanDerWaalsContact CE1-CA 3.47Å; F340-F384 HydrophobicContact CE1-CB 3.66Å; F340-F384 AromaticContact CE1-CD2 3.76Å; F340-F384 HydrophobicContact CE1-CD2 3.76Å; F340-F384 HydrophobicContact CE1-CG 4.21Å; F340-F384 VanDerWaalsContact CE1-N 3.32Å; F340-F384 HydrophobicContact CZ-CB 4.34Å; Y343-F384 HydrophobicContact CD1-CD2 4.07Å; Y343-F384 AromaticContact CD1-CE2 3.37Å; Y343-F384 HydrophobicContact CD1-CE2 3.37Å; Y343-F384 AromaticContact CD1-CZ 3.88Å; Y343-F384 HydrophobicContact CD1-CZ 3.88Å; Y343-F384 HydrophobicContact CD2-CE2 4.13Å; Y343-F384 HydrophobicContact CD2-CZ 4.35Å; Y343-F384 HydrophobicContact CE1-CD2 4.1Å; Y343-F384 HydrophobicContact CE1-CE1 4.06Å; Y343-F384 AromaticContact CE1-CE2 3.27Å; Y343-F384 HydrophobicContact CE1-CE2 3.27Å; Y343-F384 AromaticContact CE1-CZ 3.26Å; Y343-F384 HydrophobicContact CE1-CZ 3.26Å; Y343-F384 HydrophobicContact CE2-CE2 4.07Å; Y343-F384 AromaticContact CE2-CZ 3.83Å; Y343-F384 HydrophobicContact CE2-CZ 3.83Å; Y343-F384 AromaticContact CG-CE2 3.77Å; Y343-F384 HydrophobicContact CG-CE2 3.77Å; Y343-F384 HydrophobicContact CG-CZ 4.35Å; Y343-F384 AromaticContact CZ-CE2 3.63Å; Y343-F384 AromaticContact CZ-CZ 3.22Å; Y343-F384 VanDerWaalsContact OH-CZ 3.27Å; Y343-F384 WeakPolarHBondContact OH-CZ 3.42Å; L367-F384 HydrophobicContact CD2-CE1 3.41Å; L367-F384 VanDerWaalsContact CD2-CE1 3.41Å; L367-F384 HydrophobicContact CD2-CZ 3.43Å; L367-F384 VanDerWaalsContact CD2-CZ 3.43Å; T380-F384 WeakPolarHBondContact O-CB 3.32Å; T380-F384 PolarHBondContact O-N 3.41Å; V381-F384 WeakPolarHBondContact O-CB 2.99Å; V381-F384 PolarHBondContact O-N 3.4Å; M382-F384 VanDerWaalsContact C-N 3.29Å; F384-L387 WeakPolarHBondContact O-CB 3.42Å; F384-L387 PolarHBondContact O-N 3.35Å; F384-I388 HydrophobicContact CD1-CD1 3.52Å; F384-I388 HydrophobicContact CD1-CG1 4.48Å; F384-I388 HydrophobicContact CE1-CD1 3.46Å; F384-I388 VanDerWaalsContact CE1-CD1 3.46Å; F384-I388 HydrophobicContact CE1-CG1 4.46Å; F384-I388 HydrophobicContact CG-CD1 4.34Å; F384-I388 HydrophobicContact CZ-CD1 4.22Å; F384-I388 VanDerWaalsContact O-CG1 3.27Å; F384-I388 WeakPolarHBondContact O-CG1 3.01Å; F384-I388 PolarHBondContact O-N 3.48Å; F384-F415 HydrophobicContact CD1-CD1 4.49Å; F384-F415 AromaticContact CD1-CE1 3.97Å; F384-F415 HydrophobicContact CD1-CE1 3.97Å; F384-F415 HydrophobicContact CE1-CD1 4.2Å; F384-F415 AromaticContact CE1-CE1 3.93Å; F384-F415 HydrophobicContact CE1-CE1 3.93Å; F384-F415 HydrophobicContact CE1-CZ 4.49Å
385	L	62	Low	59.9	Low	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-48.8	173.8	-83	160.3	0	0	0	112	V381 M382 L387 I388 L389 L416 L431	V381-L385 HydrophobicContact CG1-CD1 3.92Å; V381-L385 HydrophobicContact CG1-CG 4.42Å; V381-L385 WeakPolarHBondContact O-CB 3.39Å; V381-L385 WeakPolarHBondContact O-CD1 3.47Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.41Å; M382-L385 PolarHBondContact O-N 3.48Å; M382-L385 HydrophobicContact SD-CD1 3.96Å; L385-L387 PolarHBondContact O-N 2.92Å; L385-I388 PolarHBondContact O-N 2.9Å; L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CD1 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 2.74Å; L385-L416 HydrophobicContact CD1-CD2 3.86Å; L385-L416 HydrophobicContact CD2-CD1 3.53Å; L385-L416 HydrophobicContact CD2-CD2 3.52Å; L385-L416 HydrophobicContact CD2-CG 4.09Å; L385-L416 HydrophobicContact CG-CD2 3.82Å; L385-L431 HydrophobicContact CB-CD1 4.4Å
386	T	64.2	Low	59.7	Low	73 Å²	73	51.4 Å²	51.4	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-36.7	178.5	-55.4	0	0	0	0	110.8	M382 S383 S390	M382-T386 VanDerWaalsContact O-CB 3.28Å; M382-T386 WeakPolarHBondContact O-CB 3.28Å; M382-T386 PolarHBondContact O-N 3.14Å; M382-T386 PolarHBondContact O-OG1 3.25Å; S383-T386 PolarHBondContact O-N 3.4Å; T386-S390 WeakPolarHBondContact O-CB 3.38Å; T386-S390 PolarHBondContact O-N 3.19Å; T386-S390 PolarHBondContact O-OG 3.46Å
387	L	68.5	Low	59.2	Low	16 Å²	16	51.6 Å²	51.6	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-49.4	177.5	177.6	65.3	0	0	0	112.2	F340 Y343 E344 L347 S383 F384 L385 L389 S390 T391	F340-L387 HydrophobicContact CB-CD2 4.46Å; F340-L387 HydrophobicContact CD1-CD2 3.98Å; F340-L387 WeakPolarHBondContact O-CD2 3.29Å; Y343-L387 HydrophobicContact CD1-CD2 3.92Å; E344-L387 HydrophobicContact CB-CD1 3.45Å; E344-L387 VanDerWaalsContact CB-CD1 3.45Å; E344-L387 HydrophobicContact CB-CD2 3.97Å; E344-L387 HydrophobicContact CB-CG 4.22Å; E344-L387 HydrophobicContact CG-CD1 3.55Å; L347-L387 HydrophobicContact CD1-CG 4.21Å; S383-L387 WeakPolarHBondContact O-CB 3.35Å; S383-L387 PolarHBondContact O-N 2.73Å; F384-L387 WeakPolarHBondContact O-CB 3.42Å; F384-L387 PolarHBondContact O-N 3.35Å; L385-L387 PolarHBondContact O-N 2.92Å; L387-L389 VanDerWaalsContact C-N 3.35Å; L387-L389 PolarHBondContact O-N 2.89Å; L387-S390 PolarHBondContact O-OG 3.2Å; L387-S390 VanDerWaalsContact O-OG 3.1Å; L387-T391 WeakPolarHBondContact O-CB 3.44Å; L387-T391 PolarHBondContact O-N 3.04Å; L387-T391 VanDerWaalsContact O-N 3.1Å; L387-T391 PolarHBondContact O-OG1 3.04Å
388	I	64.7	Low	58.6	Low	8 Å²	8	50.4 Å²	50.4	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-52	-57.7	173.3	-72.3	168	0	0	0	108.9	Y343 L347 F384 L385 S390 T391 Y392 H412	Y343-I388 HydrophobicContact CE1-CD1 4.17Å; Y343-I388 HydrophobicContact CE1-CG1 3.75Å; L347-I388 HydrophobicContact CD1-CG1 4.05Å; F384-I388 HydrophobicContact CD1-CD1 3.52Å; F384-I388 HydrophobicContact CD1-CG1 4.48Å; F384-I388 HydrophobicContact CE1-CD1 3.46Å; F384-I388 VanDerWaalsContact CE1-CD1 3.46Å; F384-I388 HydrophobicContact CE1-CG1 4.46Å; F384-I388 HydrophobicContact CG-CD1 4.34Å; F384-I388 HydrophobicContact CZ-CD1 4.22Å; F384-I388 VanDerWaalsContact O-CG1 3.27Å; F384-I388 WeakPolarHBondContact O-CG1 3.01Å; F384-I388 PolarHBondContact O-N 3.48Å; L385-I388 PolarHBondContact O-N 2.9Å; I388-S390 PolarHBondContact O-N 2.94Å; I388-T391 PolarHBondContact O-N 3.49Å; I388-Y392 HydrophobicContact CG2-CD2 3.84Å; I388-Y392 HydrophobicContact CG2-CE2 3.71Å; I388-Y392 WeakPolarHBondContact O-CD2 3.43Å; I388-Y392 PolarHBondContact O-N 3.18Å; I388-Y392 VanDerWaalsContact O-N 3.15Å; I388-H412 HydrophobicContact CD1-CB 4.22Å; I388-H412 VanDerWaalsContact CD1-CD2 3.45Å; I388-H412 WeakPolarHBondContact CD1-CD2 3.38Å
389	L	60.8	Low	58.1	Low	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-41.5	-172.9	-66.8	171.8	0	0	0	112.8	L385 L387 T391 Y392 R393 L431 L432 Y436	L385-L389 VanDerWaalsContact O-CB 3.24Å; L385-L389 WeakPolarHBondContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CD1 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.41Å; L385-L389 PolarHBondContact O-N 2.74Å; L387-L389 VanDerWaalsContact C-N 3.35Å; L387-L389 PolarHBondContact O-N 2.89Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 3.05Å; L389-Y392 PolarHBondContact O-N 3.09Å; L389-R393 PolarHBondContact O-N 3.12Å; L389-L431 HydrophobicContact CD1-CB 3.66Å; L389-L431 HydrophobicContact CD1-CD1 4.44Å; L389-L431 HydrophobicContact CD1-CD2 3.55Å; L389-L431 HydrophobicContact CD1-CG 4.07Å; L389-L432 HydrophobicContact CD2-CD2 3.91Å; L389-Y436 HydrophobicContact CB-CD2 4.32Å; L389-Y436 HydrophobicContact CB-CE2 3.6Å; L389-Y436 HydrophobicContact CD1-CD2 4.44Å; L389-Y436 HydrophobicContact CD1-CE2 4.23Å; L389-Y436 HydrophobicContact CD2-CD2 3.66Å; L389-Y436 HydrophobicContact CD2-CE2 3.85Å; L389-Y436 HydrophobicContact CD2-CG 4.24Å; L389-Y436 HydrophobicContact CG-CD2 4.34Å; L389-Y436 HydrophobicContact CG-CE2 4.08Å; L389-Y436 PolarHBondContact O-OH 2.92Å; L389-Y436 VanDerWaalsContact O-OH 3.09Å
390	S	64.6	Low	57.3	Low	51 Å²	51	58 Å²	58	36%	0.357	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-35	176.7	61.9	0	0	0	0	112.3	T386 L387 I388 R393	T386-S390 WeakPolarHBondContact O-CB 3.38Å; T386-S390 PolarHBondContact O-N 3.19Å; T386-S390 PolarHBondContact O-OG 3.46Å; L387-S390 PolarHBondContact O-OG 3.2Å; L387-S390 VanDerWaalsContact O-OG 3.1Å; I388-S390 PolarHBondContact O-N 2.94Å; S390-R393 PolarHBondContact O-N 3.14Å
391	T	62.4	Low	56.8	Low	18 Å²	18	66.1 Å²	66.1	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-69	-36.5	176.5	-48.7	0	0	0	0	111.9	L347 R348 L387 I388 L389	L347-T391 VanDerWaalsContact C-CG2 3.48Å; L347-T391 HydrophobicContact CB-CG2 3.52Å; L347-T391 WeakPolarHBondContact O-CG2 3.47Å; R348-T391 HydrophobicContact CG-CG2 4.15Å; L387-T391 WeakPolarHBondContact O-CB 3.44Å; L387-T391 PolarHBondContact O-N 3.04Å; L387-T391 VanDerWaalsContact O-N 3.1Å; L387-T391 PolarHBondContact O-OG1 3.04Å; I388-T391 PolarHBondContact O-N 3.49Å; L389-T391 VanDerWaalsContact C-N 3.27Å; L389-T391 PolarHBondContact O-N 3.05Å
392	Y	59.3	Low	56.4	Low	9 Å²	9	67.1 Å²	67.1	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-74.9	-31.9	176	-74.2	-69.1	0	0	0	113.4	L347 I388 L389 D394 S395 L398 M405 V408 F409	L347-Y392 HydrophobicContact CD2-CE2 4.42Å; I388-Y392 HydrophobicContact CG2-CD2 3.84Å; I388-Y392 HydrophobicContact CG2-CE2 3.71Å; I388-Y392 WeakPolarHBondContact O-CD2 3.43Å; I388-Y392 PolarHBondContact O-N 3.18Å; I388-Y392 VanDerWaalsContact O-N 3.15Å; L389-Y392 PolarHBondContact O-N 3.09Å; Y392-D394 VanDerWaalsContact C-N 3.28Å; Y392-D394 PolarHBondContact O-N 3.3Å; Y392-S395 PolarHBondContact O-N 3.46Å; Y392-S395 VanDerWaalsContact O-N 3.09Å; Y392-S395 PolarHBondContact O-OG 3.14Å; Y392-L398 WeakPolarHBondContact O-CD1 3.15Å; Y392-M405 HydrophobicContact CD1-CE 4.15Å; Y392-M405 HydrophobicContact CE1-CE 3.48Å; Y392-M405 VanDerWaalsContact CE1-CE 3.48Å; Y392-M405 HydrophobicContact CE1-SD 4.03Å; Y392-V408 WeakPolarHBondContact OH-CG1 3.33Å; Y392-F409 HydrophobicContact CD2-CD2 4.41Å; Y392-F409 HydrophobicContact CE2-CD2 4.36Å
393	R	54.9	Low	56.1	Low	171 Å²	171	69.2 Å²	69.2	65%	0.645	35%	0.345	S	S	*	.	H	α-helix	trans	-54.3	-40.1	-178.8	-161.3	-179.5	179.3	159.8	1.8	114.5	L389 S390 Y436	L389-R393 PolarHBondContact O-N 3.12Å; S390-R393 PolarHBondContact O-N 3.14Å; R393-Y436 HydrophobicContact CB-CE1 3.73Å; R393-Y436 WeakPolarHBondContact CB-OH 3.49Å; R393-Y436 WeakPolarHBondContact CD-OH 3.26Å; R393-Y436 HydrophobicContact CG-CE1 3.93Å; R393-Y436 WeakPolarHBondContact CG-OH 3.44Å
394	D	53.8	Low	55.6	Low	144 Å²	144	69.9 Å²	69.9	77%	0.77	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.2	-175.8	-65.9	-27.3	0	0	0	112.3	Y392 K396	Y392-D394 VanDerWaalsContact C-N 3.28Å; Y392-D394 PolarHBondContact O-N 3.3Å; D394-K396 PolarHBondContact O-N 3.32Å
395	S	53.7	Low	55	Low	16 Å²	16	70.5 Å²	70.5	11%	0.112	35%	0.345	C	S	.	.			trans	-80.5	112.8	-179.3	78.3	0	0	0	0	110.7	Y392 S397 L398	Y392-S395 PolarHBondContact O-N 3.46Å; Y392-S395 VanDerWaalsContact O-N 3.09Å; Y392-S395 PolarHBondContact O-OG 3.14Å; S395-S397 WeakPolarHBondContact CB-OG 3.3Å; S395-S397 PolarHBondContact O-N 3.48Å; S395-S397 PolarHBondContact OG-OG 2.88Å; S395-L398 PolarHBondContact O-N 3.47Å
396	K	48	Very low	54.6	Low	190 Å²	190	71.6 Å²	71.6	83%	0.826	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-59.7	-16	171.6	-76.9	-178.2	177.2	176.3	0	112.5	D394 L398 T399	D394-K396 PolarHBondContact O-N 3.32Å; K396-L398 VanDerWaalsContact C-N 3.31Å; K396-L398 PolarHBondContact O-N 2.96Å; K396-T399 PolarHBondContact O-N 3.14Å; K396-T399 PolarHBondContact O-OG1 3.01Å
397	S	46.2	Very low	54.2	Low	38 Å²	38	70.1 Å²	70.1	27%	0.266	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-70.6	-13.4	-177.5	41.7	0	0	0	0	114.8	S395 T399 Y400	S395-S397 WeakPolarHBondContact CB-OG 3.3Å; S395-S397 PolarHBondContact O-N 3.48Å; S395-S397 PolarHBondContact OG-OG 2.88Å; S397-T399 PolarHBondContact O-N 3.23Å; S397-Y400 CarbonylContact O-C 3.37Å; S397-Y400 PolarHBondContact O-N 3.3Å
398	L	45.5	Very low	53.6	Low	45 Å²	45	69.4 Å²	69.4	24%	0.236	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24.9	169.2	-84.7	166.5	0	0	0	113	Y392 S395 K396 D439	Y392-L398 WeakPolarHBondContact O-CD1 3.15Å; S395-L398 PolarHBondContact O-N 3.47Å; K396-L398 VanDerWaalsContact C-N 3.31Å; K396-L398 PolarHBondContact O-N 2.96Å; L398-D439 HydrophobicContact CB-CB 4.33Å
399	T	42.4	Very low	53.3	Low	102 Å²	102	69.3 Å²	69.3	63%	0.626	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-83.9	-11	175.8	52.3	0	0	0	0	114.5	K396 S397	K396-T399 PolarHBondContact O-N 3.14Å; K396-T399 PolarHBondContact O-OG1 3.01Å; S397-T399 PolarHBondContact O-N 3.23Å
400	Y	43.6	Very low	53	Low	194 Å²	194	70.6 Å²	70.6	76%	0.761	35%	0.348	S	S	*	.	S	Bend	trans	-128.5	106.9	178.6	-93.7	-93.3	0	0	0	109.5	S397 N402	S397-Y400 CarbonylContact O-C 3.37Å; S397-Y400 PolarHBondContact O-N 3.3Å; Y400-N402 PolarHBondContact O-N 3.06Å
401	R	49.2	Very low	52.7	Low	187 Å²	187	68.6 Å²	68.6	71%	0.706	33%	0.334	S	S	*	.			trans	-54	95.7	-175.5	-68.9	-172.4	-170.3	163.5	7.8	112.1	P403 Q442	R401-P403 WeakPolarHBondContact O-CD 3.38Å; R401-Q442 VanDerWaalsContact NH2-CD 3.27Å
402	N	51.8	Low	52.7	Low	23 Å²	23	68 Å²	68	12%	0.123	33%	0.33	C	S	.	.			trans	-80.7	113.9	155.9	-178.4	-13.6	0	0	0	107.2	Y400 E404 M405 C406	Y400-N402 PolarHBondContact O-N 3.06Å; N402-E404 PolarHBondContact O-N 2.66Å; N402-E404 WeakPolarHBondContact OD1-CB 3.44Å; N402-E404 PolarHBondContact OD1-N 2.97Å; N402-M405 HydrophobicContact CB-CB 4.1Å; N402-M405 HydrophobicContact CB-CG 4.07Å; N402-M405 PolarHBondContact O-N 3.32Å; N402-C406 PolarHBondContact O-N 3.47Å; N402-C406 PolarHBondContact O-SG 3.34Å; N402-C406 VanDerWaalsContact O-SG 3.32Å
403	P	53.3	Low	52.6	Low	102 Å²	102	68 Å²	68	66%	0.662	33%	0.331	S	S	*	.	H	α-helix	trans	-57	-31.6	-179.9	-21.3	32.2	0	0	0	113.3	R401 C406 S407	R401-P403 WeakPolarHBondContact O-CD 3.38Å; P403-C406 WeakPolarHBondContact O-CB 3.35Å; P403-C406 PolarHBondContact O-N 2.94Å; P403-S407 PolarHBondContact O-N 3.17Å
404	E	52.1	Low	52.6	Low	67 Å²	67	64.5 Å²	64.5	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-71.8	-45.7	-177.7	-60.1	-164.8	161.8	0	0	111	E356 L358 C360 N402 C406 S407 V408	E356-E404 VanDerWaalsContact O-CD 3.23Å; L358-E404 PolarHBondContact N-OE2 3.37Å; C360-E404 PolarHBondContact SG-O 3.44Å; N402-E404 PolarHBondContact O-N 2.66Å; N402-E404 WeakPolarHBondContact OD1-CB 3.44Å; N402-E404 PolarHBondContact OD1-N 2.97Å; E404-C406 PolarHBondContact O-N 3.37Å; E404-S407 WeakPolarHBondContact O-CA 3.49Å; E404-S407 PolarHBondContact O-N 3.26Å; E404-S407 PolarHBondContact O-OG 2.84Å; E404-V408 PolarHBondContact O-N 3.25Å
405	M	53.7	Low	52.9	Low	21 Å²	21	58.1 Å²	58.1	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-31.6	174	-76.1	-69.9	-107.1	0	0	113	L350 Y392 N402 S407 V408 F409	L350-M405 HydrophobicContact CB-CE 4.35Å; L350-M405 HydrophobicContact CB-SD 3.98Å; L350-M405 WeakPolarHBondContact O-CE 3.07Å; Y392-M405 HydrophobicContact CD1-CE 4.15Å; Y392-M405 HydrophobicContact CE1-CE 3.48Å; Y392-M405 VanDerWaalsContact CE1-CE 3.48Å; Y392-M405 HydrophobicContact CE1-SD 4.03Å; N402-M405 HydrophobicContact CB-CB 4.1Å; N402-M405 HydrophobicContact CB-CG 4.07Å; N402-M405 PolarHBondContact O-N 3.32Å; M405-S407 VanDerWaalsContact C-N 3.34Å; M405-V408 PolarHBondContact O-N 2.85Å; M405-F409 PolarHBondContact O-N 3.43Å
406	C	53.9	Low	53	Low	25 Å²	25	57.8 Å²	57.8	17%	0.169	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-39.9	173.1	-59	0	0	0	0	111.5	N402 P403 E404 N410 L443	N402-C406 PolarHBondContact O-N 3.47Å; N402-C406 PolarHBondContact O-SG 3.34Å; N402-C406 VanDerWaalsContact O-SG 3.32Å; P403-C406 WeakPolarHBondContact O-CB 3.35Å; P403-C406 PolarHBondContact O-N 2.94Å; E404-C406 PolarHBondContact O-N 3.37Å; C406-N410 VanDerWaalsContact O-CB 3.28Å; C406-N410 WeakPolarHBondContact O-CB 3.39Å; C406-N410 PolarHBondContact O-N 3.12Å; C406-N410 PolarHBondContact O-ND2 3.3Å; C406-L443 HydrophobicContact CB-CD1 3.86Å; C406-L443 HydrophobicContact CB-CD2 4.39Å; C406-L443 HydrophobicContact CB-CG 4.18Å; C406-L443 WeakPolarHBondContact O-CD2 3.24Å; C406-L443 VanDerWaalsContact SG-CD1 3.54Å
407	S	55.6	Low	53.2	Low	43 Å²	43	50.1 Å²	50.1	30%	0.301	25%	0.248	S	C	.	.	H	α-helix	trans	-72.9	-32.8	179	87.5	0	0	0	0	112.6	C360 P403 E404 M405 N410 S411	C360-S407 WeakPolarHBondContact CB-OG 3.16Å; C360-S407 PolarHBondContact SG-OG 3.14Å; P403-S407 PolarHBondContact O-N 3.17Å; E404-S407 WeakPolarHBondContact O-CA 3.49Å; E404-S407 PolarHBondContact O-N 3.26Å; E404-S407 PolarHBondContact O-OG 2.84Å; M405-S407 VanDerWaalsContact C-N 3.34Å; S407-N410 PolarHBondContact O-N 3.05Å; S407-S411 WeakPolarHBondContact O-CB 3.35Å; S407-S411 PolarHBondContact O-N 2.63Å; S407-S411 PolarHBondContact O-OG 3.24Å
408	V	57.1	Low	53.4	Low	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-51.1	171.5	171.9	0	0	0	0	110.9	L350 C360 V363 Y392 E404 M405 N410 S411 H412	L350-V408 HydrophobicContact CD1-CG1 4.13Å; L350-V408 HydrophobicContact CD1-CG2 4.41Å; L350-V408 HydrophobicContact CD2-CG2 4.48Å; C360-V408 HydrophobicContact CB-CG2 4.11Å; C360-V408 VanDerWaalsContact SG-CG2 3.54Å; V363-V408 HydrophobicContact CB-CG1 4.48Å; V363-V408 HydrophobicContact CG1-CG1 4.05Å; V363-V408 HydrophobicContact CG2-CB 4.26Å; V363-V408 HydrophobicContact CG2-CG1 3.91Å; V363-V408 HydrophobicContact CG2-CG2 3.69Å; Y392-V408 WeakPolarHBondContact OH-CG1 3.33Å; E404-V408 PolarHBondContact O-N 3.25Å; M405-V408 PolarHBondContact O-N 2.85Å; V408-N410 PolarHBondContact O-N 3.08Å; V408-S411 WeakPolarHBondContact O-CA 3.36Å; V408-S411 VanDerWaalsContact O-CB 3.23Å; V408-S411 WeakPolarHBondContact O-CB 3.49Å; V408-S411 PolarHBondContact O-N 3.07Å; V408-H412 WeakPolarHBondContact CG1-CE1 3.48Å; V408-H412 PolarHBondContact O-N 2.88Å; V408-H412 PolarHBondContact O-ND1 3.27Å
409	F	56.9	Low	53.8	Low	7 Å²	7	50 Å²	50	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-40.2	178	-170.6	-83.2	0	0	0	112.1	Y392 M405 S411 H412 V413 L432 C440 L443	Y392-F409 HydrophobicContact CD2-CD2 4.41Å; Y392-F409 HydrophobicContact CE2-CD2 4.36Å; M405-F409 PolarHBondContact O-N 3.43Å; F409-S411 PolarHBondContact O-N 3.22Å; F409-H412 WeakPolarHBondContact O-CB 3.45Å; F409-H412 PolarHBondContact O-N 3.28Å; F409-H412 VanDerWaalsContact O-N 3.14Å; F409-V413 HydrophobicContact CD1-CG2 3.86Å; F409-V413 HydrophobicContact CE1-CG2 3.75Å; F409-V413 WeakPolarHBondContact O-CG2 3.27Å; F409-V413 PolarHBondContact O-N 3.49Å; F409-L432 HydrophobicContact CE1-CD2 4.14Å; F409-L432 HydrophobicContact CE2-CD2 4.05Å; F409-L432 HydrophobicContact CZ-CD2 3.38Å; F409-C440 HydrophobicContact CE1-CB 4.36Å; F409-C440 HydrophobicContact CZ-CB 4.1Å; F409-L443 HydrophobicContact CB-CD2 3.75Å; F409-L443 HydrophobicContact CD1-CD2 3.33Å; F409-L443 HydrophobicContact CE1-CD2 4.18Å; F409-L443 HydrophobicContact CG-CD2 3.87Å
410	N	55.6	Low	54	Low	30 Å²	30	53.3 Å²	53.3	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-35.1	172	-77	-24.4	0	0	0	111.7	C406 S407 V408 V413 R414 L443 T447	C406-N410 VanDerWaalsContact O-CB 3.28Å; C406-N410 WeakPolarHBondContact O-CB 3.39Å; C406-N410 PolarHBondContact O-N 3.12Å; C406-N410 PolarHBondContact O-ND2 3.3Å; S407-N410 PolarHBondContact O-N 3.05Å; V408-N410 PolarHBondContact O-N 3.08Å; N410-V413 PolarHBondContact O-N 3.38Å; N410-R414 WeakPolarHBondContact O-CB 3.26Å; N410-R414 VanDerWaalsContact O-CG 3.29Å; N410-R414 WeakPolarHBondContact O-CG 3.22Å; N410-R414 PolarHBondContact O-N 2.95Å; N410-L443 VanDerWaalsContact OD1-CD2 3.26Å; N410-L443 WeakPolarHBondContact OD1-CD2 3.28Å; N410-T447 PolarHBondContact OD1-OG1 2.95Å
411	S	58.3	Low	54.5	Low	8 Å²	8	48.9 Å²	48.9	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-39.3	175.6	-60.7	0	0	0	0	112	M364 S407 V408 F409 R414 F415	M364-S411 WeakPolarHBondContact CG-OG 3.49Å; M364-S411 WeakPolarHBondContact SD-CB 3.31Å; M364-S411 PolarHBondContact SD-OG 2.84Å; M364-S411 VanDerWaalsContact SD-OG 3.4Å; S407-S411 WeakPolarHBondContact O-CB 3.35Å; S407-S411 PolarHBondContact O-N 2.63Å; S407-S411 PolarHBondContact O-OG 3.24Å; V408-S411 WeakPolarHBondContact O-CA 3.36Å; V408-S411 VanDerWaalsContact O-CB 3.23Å; V408-S411 WeakPolarHBondContact O-CB 3.49Å; V408-S411 PolarHBondContact O-N 3.07Å; F409-S411 PolarHBondContact O-N 3.22Å; S411-R414 PolarHBondContact O-N 3.5Å; S411-F415 WeakPolarHBondContact O-CB 3.15Å; S411-F415 PolarHBondContact O-N 3.24Å
412	H	62.8	Low	54.2	Low	5 Å²	5	42.8 Å²	42.8	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-43.6	171.5	-60	128.4	0	0	0	112.4	Y343 I388 V408 F409 R414 F415 L416	Y343-H412 AromaticContact CZ-NE2 3.77Å; Y343-H412 PolarHBondContact OH-CD2 2.92Å; Y343-H412 PolarHBondContact OH-NE2 3.27Å; I388-H412 HydrophobicContact CD1-CB 4.22Å; I388-H412 VanDerWaalsContact CD1-CD2 3.45Å; I388-H412 WeakPolarHBondContact CD1-CD2 3.38Å; V408-H412 WeakPolarHBondContact CG1-CE1 3.48Å; V408-H412 PolarHBondContact O-N 2.88Å; V408-H412 PolarHBondContact O-ND1 3.27Å; F409-H412 WeakPolarHBondContact O-CB 3.45Å; F409-H412 PolarHBondContact O-N 3.28Å; F409-H412 VanDerWaalsContact O-N 3.14Å; H412-R414 VanDerWaalsContact C-N 3.34Å; H412-F415 WeakPolarHBondContact O-CB 3.28Å; H412-F415 PolarHBondContact O-N 3.21Å; H412-L416 WeakPolarHBondContact O-CG 3.33Å; H412-L416 PolarHBondContact O-N 3.48Å
413	V	55.2	Low	54	Low	10 Å²	10	43.5 Å²	43.5	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-39.8	176.6	-177.6	0	0	0	0	110.7	F409 N410 L416 L417 L432 T447	F409-V413 HydrophobicContact CD1-CG2 3.86Å; F409-V413 HydrophobicContact CE1-CG2 3.75Å; F409-V413 WeakPolarHBondContact O-CG2 3.27Å; F409-V413 PolarHBondContact O-N 3.49Å; N410-V413 PolarHBondContact O-N 3.38Å; V413-L416 PolarHBondContact O-N 3.28Å; V413-L417 HydrophobicContact CG1-CD1 3.95Å; V413-L417 HydrophobicContact CG1-CG 4.45Å; V413-L417 WeakPolarHBondContact O-CB 3.47Å; V413-L417 WeakPolarHBondContact O-CD1 3.37Å; V413-L417 VanDerWaalsContact O-CG 3.24Å; V413-L417 WeakPolarHBondContact O-CG 3.21Å; V413-L417 PolarHBondContact O-N 2.88Å; V413-L432 HydrophobicContact CG2-CD1 4.28Å; V413-T447 HydrophobicContact CB-CG2 4.25Å; V413-T447 HydrophobicContact CG1-CG2 3.64Å
414	R	55.4	Low	54	Low	98 Å²	98	38.9 Å²	38.9	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-44	171.6	-79.6	177	179.6	177.8	2.1	112	N410 S411 H412 L416 L417 L418 D450	N410-R414 WeakPolarHBondContact O-CB 3.26Å; N410-R414 VanDerWaalsContact O-CG 3.29Å; N410-R414 WeakPolarHBondContact O-CG 3.22Å; N410-R414 PolarHBondContact O-N 2.95Å; S411-R414 PolarHBondContact O-N 3.5Å; H412-R414 VanDerWaalsContact C-N 3.34Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-L416 PolarHBondContact O-N 3.26Å; R414-L417 PolarHBondContact O-N 3.44Å; R414-L418 HydrophobicContact CB-CD1 4.43Å; R414-L418 WeakPolarHBondContact O-CB 3.38Å; R414-L418 WeakPolarHBondContact O-CD1 3.37Å; R414-L418 WeakPolarHBondContact O-CG 3.31Å; R414-L418 PolarHBondContact O-N 2.86Å; R414-L418 VanDerWaalsContact O-N 3.08Å; R414-D450 IonicContact CZ-OD2 3.84Å; R414-D450 IonicContact NH2-OD2 3.77Å; R414-D450 PolarHBondContact NH2-OD2 3.42Å
415	F	60.5	Low	54	Low	9 Å²	9	36 Å²	36	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175	171.5	-97.6	0	0	0	111.5	L367 A370 R371 F384 S411 H412 L417 L418 C419	L367-F415 HydrophobicContact CB-CB 4.36Å; L367-F415 HydrophobicContact CB-CD2 3.85Å; L367-F415 HydrophobicContact CB-CG 4.33Å; L367-F415 HydrophobicContact CD1-CB 3.91Å; L367-F415 HydrophobicContact CD1-CG 4.47Å; L367-F415 HydrophobicContact CD2-CB 4.06Å; L367-F415 HydrophobicContact CD2-CD1 4.05Å; L367-F415 HydrophobicContact CD2-CD2 3.8Å; L367-F415 HydrophobicContact CD2-CE1 4.44Å; L367-F415 HydrophobicContact CD2-CE2 4.2Å; L367-F415 HydrophobicContact CD2-CG 3.71Å; L367-F415 HydrophobicContact CG-CB 4.34Å; L367-F415 HydrophobicContact CG-CD2 4.33Å; L367-F415 HydrophobicContact CG-CG 4.39Å; A370-F415 HydrophobicContact CB-CE2 4.21Å; A370-F415 HydrophobicContact CB-CZ 4.48Å; R371-F415 HydrophobicContact CG-CD2 4.04Å; R371-F415 HydrophobicContact CG-CE2 3.93Å; F384-F415 HydrophobicContact CD1-CD1 4.49Å; F384-F415 AromaticContact CD1-CE1 3.97Å; F384-F415 HydrophobicContact CD1-CE1 3.97Å; F384-F415 HydrophobicContact CE1-CD1 4.2Å; F384-F415 AromaticContact CE1-CE1 3.93Å; F384-F415 HydrophobicContact CE1-CE1 3.93Å; F384-F415 HydrophobicContact CE1-CZ 4.49Å; S411-F415 WeakPolarHBondContact O-CB 3.15Å; S411-F415 PolarHBondContact O-N 3.24Å; H412-F415 WeakPolarHBondContact O-CB 3.28Å; H412-F415 PolarHBondContact O-N 3.21Å; F415-L417 VanDerWaalsContact C-N 3.33Å; F415-L417 PolarHBondContact O-N 3.47Å; F415-L418 CarbonylContact O-C 3.28Å; F415-L418 PolarHBondContact O-N 3.39Å; F415-C419 PolarHBondContact O-N 2.87Å; F415-C419 VanDerWaalsContact O-N 3.08Å; F415-C419 PolarHBondContact O-SG 3.04Å
416	L	56.7	Low	53.8	Low	9 Å²	9	36.7 Å²	36.7	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-41.6	176.2	-67.5	167.5	0	0	0	112.5	V381 L385 H412 V413 R414 L418 F425 L432	V381-L416 HydrophobicContact CG1-CD2 4.31Å; L385-L416 HydrophobicContact CD1-CD2 3.86Å; L385-L416 HydrophobicContact CD2-CD1 3.53Å; L385-L416 HydrophobicContact CD2-CD2 3.52Å; L385-L416 HydrophobicContact CD2-CG 4.09Å; L385-L416 HydrophobicContact CG-CD2 3.82Å; H412-L416 WeakPolarHBondContact O-CG 3.33Å; H412-L416 PolarHBondContact O-N 3.48Å; V413-L416 PolarHBondContact O-N 3.28Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-L416 PolarHBondContact O-N 3.26Å; L416-L418 PolarHBondContact O-N 3.4Å; L416-F425 HydrophobicContact CB-CD2 4.42Å; L416-F425 WeakPolarHBondContact O-CD2 3.46Å; L416-L432 HydrophobicContact CD1-CD1 3.83Å
417	L	51.7	Low	53.9	Low	30 Å²	30	37.5 Å²	37.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-20.6	177	-72.5	160.9	0	0	0	113.2	V413 R414 F415 F425 T447 L451 L460	V413-L417 HydrophobicContact CG1-CD1 3.95Å; V413-L417 HydrophobicContact CG1-CG 4.45Å; V413-L417 WeakPolarHBondContact O-CB 3.47Å; V413-L417 WeakPolarHBondContact O-CD1 3.37Å; V413-L417 VanDerWaalsContact O-CG 3.24Å; V413-L417 WeakPolarHBondContact O-CG 3.21Å; V413-L417 PolarHBondContact O-N 2.88Å; R414-L417 PolarHBondContact O-N 3.44Å; F415-L417 VanDerWaalsContact C-N 3.33Å; F415-L417 PolarHBondContact O-N 3.47Å; L417-F425 HydrophobicContact CD2-CD2 4.29Å; L417-F425 HydrophobicContact CD2-CE2 3.32Å; L417-F425 HydrophobicContact CD2-CZ 3.67Å; L417-F425 HydrophobicContact CG-CE2 3.91Å; L417-T447 HydrophobicContact CD1-CG2 4.18Å; L417-L451 HydrophobicContact CD1-CD1 3.81Å; L417-L451 HydrophobicContact CD1-CD2 3.86Å; L417-L451 HydrophobicContact CD1-CG 4.19Å; L417-L451 HydrophobicContact CD2-CD1 4.11Å; L417-L451 HydrophobicContact CD2-CD2 4.47Å; L417-L460 HydrophobicContact CD2-CD2 4.01Å
418	L	51.1	Low	53.9	Low	58 Å²	58	35.4 Å²	35.4	30%	0.304	19%	0.186	S	C	.	.	H	α-helix	trans	-106.3	-1.5	-175	-67.8	162.4	0	0	0	113.3	R414 F415 L416 N420 M459	R414-L418 HydrophobicContact CB-CD1 4.43Å; R414-L418 WeakPolarHBondContact O-CB 3.38Å; R414-L418 WeakPolarHBondContact O-CD1 3.37Å; R414-L418 WeakPolarHBondContact O-CG 3.31Å; R414-L418 PolarHBondContact O-N 2.86Å; R414-L418 VanDerWaalsContact O-N 3.08Å; F415-L418 CarbonylContact O-C 3.28Å; F415-L418 PolarHBondContact O-N 3.39Å; L416-L418 PolarHBondContact O-N 3.4Å; L418-N420 PolarHBondContact O-N 3.32Å; L418-M459 HydrophobicContact CD2-SD 4.14Å
419	C	53.2	Low	53.9	Low	23 Å²	23	35.9 Å²	35.9	16%	0.155	19%	0.188	C	C	.	.			trans	-65.7	122.2	171.5	-76	0	0	0	0	109.9	F415 E421 H424	F415-C419 PolarHBondContact O-N 2.87Å; F415-C419 VanDerWaalsContact O-N 3.08Å; F415-C419 PolarHBondContact O-SG 3.04Å; C419-E421 PolarHBondContact O-N 2.89Å; C419-H424 HydrophobicContact CB-CB 4.31Å
420	N	47.2	Very low	53.8	Low	171 Å²	171	36.9 Å²	36.9	91%	0.914	20%	0.195	S	C	*	.	S	Bend	trans	-65.8	-19.4	-179.8	-78.9	-28.6	0	0	0	113.6	L418	L418-N420 PolarHBondContact O-N 3.32Å
421	E	52.7	Low	53.9	Low	101 Å²	101	36.5 Å²	36.5	47%	0.472	19%	0.193	S	C	.	.			trans	-96.9	116.6	-179.8	-76.4	-169.4	176.5	0	0	112	C419 A423 H424	C419-E421 PolarHBondContact O-N 2.89Å; E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.23Å; E421-H424 VanDerWaalsContact CB-CD2 3.47Å; E421-H424 WeakPolarHBondContact CB-CD2 3.48Å; E421-H424 WeakPolarHBondContact CB-NE2 3.47Å; E421-H424 WeakPolarHBondContact O-CB 3.25Å; E421-H424 PolarHBondContact O-N 3.27Å; E421-H424 VanDerWaalsContact O-N 3.15Å; E421-H424 IonicContact OE2-CD2 3.95Å; E421-H424 IonicContact OE2-CE1 2.66Å; E421-H424 PolarHBondContact OE2-CE1 3.13Å; E421-H424 IonicContact OE2-NE2 3.59Å; E421-H424 PolarHBondContact OE2-NE2 3.33Å
422	M	43.5	Very low	53.9	Low	58 Å²	58	36.6 Å²	36.6	29%	0.286	19%	0.193	S	C	.	.	H	α-helix	trans	-50.8	-43.3	-177.5	-74.9	-151.4	43.9	0	0	115.6	H424 F425 E426 V464 N467	M422-H424 PolarHBondContact O-N 3.15Å; M422-H424 VanDerWaalsContact O-N 3.15Å; M422-F425 PolarHBondContact O-N 3.43Å; M422-E426 VanDerWaalsContact CE-OE1 3.22Å; M422-E426 WeakPolarHBondContact CE-OE1 3.49Å; M422-E426 WeakPolarHBondContact O-CG 3.4Å; M422-E426 PolarHBondContact O-N 2.76Å; M422-E426 VanDerWaalsContact O-N 3.09Å; M422-V464 HydrophobicContact CE-CB 4.06Å; M422-V464 HydrophobicContact CE-CG1 4.21Å; M422-V464 HydrophobicContact CE-CG2 4.03Å; M422-V464 HydrophobicContact CG-CB 4.49Å; M422-V464 HydrophobicContact CG-CG1 4.29Å; M422-V464 HydrophobicContact CG-CG2 3.74Å; M422-V464 HydrophobicContact SD-CB 4.28Å; M422-V464 HydrophobicContact SD-CG2 3.57Å; M422-V464 VanDerWaalsContact SD-CG2 3.57Å; M422-N467 HydrophobicContact CE-CB 3.65Å; M422-N467 WeakPolarHBondContact CE-ND2 3.12Å
423	A	46.9	Very low	53.5	Low	39 Å²	39	36.5 Å²	36.5	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-27.6	-176.4	0	0	0	0	0	112.5	E421 S427	E421-A423 VanDerWaalsContact C-N 3.33Å; E421-A423 PolarHBondContact O-N 3.23Å; A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 3.01Å; A423-S427 VanDerWaalsContact O-N 3.16Å; A423-S427 PolarHBondContact O-OG 3.15Å
424	H	53.7	Low	53.4	Low	4 Å²	4	39.8 Å²	39.8	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-76.7	-41.6	-178.4	-58.7	-9.8	0	0	0	112	L376 T377 S378 V381 C419 E421 M422 G428	L376-H424 PolarHBondContact O-NE2 3.46Å; T377-H424 VanDerWaalsContact C-CE1 3.45Å; S378-H424 WeakPolarHBondContact CA-CE1 3.07Å; S378-H424 VanDerWaalsContact CA-ND1 3.31Å; S378-H424 WeakPolarHBondContact CA-ND1 3.43Å; S378-H424 PolarHBondContact N-CE1 3.49Å; S378-H424 PolarHBondContact OG-CE1 3.06Å; S378-H424 PolarHBondContact OG-ND1 3.41Å; V381-H424 HydrophobicContact CB-CB 3.94Å; V381-H424 HydrophobicContact CG1-CB 3.68Å; V381-H424 HydrophobicContact CG2-CB 4.14Å; V381-H424 WeakPolarHBondContact CG2-CD2 3.23Å; C419-H424 HydrophobicContact CB-CB 4.31Å; E421-H424 VanDerWaalsContact CB-CD2 3.47Å; E421-H424 WeakPolarHBondContact CB-CD2 3.48Å; E421-H424 WeakPolarHBondContact CB-NE2 3.47Å; E421-H424 WeakPolarHBondContact O-CB 3.25Å; E421-H424 PolarHBondContact O-N 3.27Å; E421-H424 VanDerWaalsContact O-N 3.15Å; E421-H424 IonicContact OE2-CD2 3.95Å; E421-H424 IonicContact OE2-CE1 2.66Å; E421-H424 PolarHBondContact OE2-CE1 3.13Å; E421-H424 IonicContact OE2-NE2 3.59Å; E421-H424 PolarHBondContact OE2-NE2 3.33Å; M422-H424 PolarHBondContact O-N 3.15Å; M422-H424 VanDerWaalsContact O-N 3.15Å; H424-G428 PolarHBondContact O-N 3.11Å
425	F	52.2	Low	53.4	Low	8 Å²	8	40.4 Å²	40.4	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-44.4	176.4	178.7	-111.9	0	0	0	110.9	L416 L417 M422 S427 G428 L429 V464 V465 C468	L416-F425 HydrophobicContact CB-CD2 4.42Å; L416-F425 WeakPolarHBondContact O-CD2 3.46Å; L417-F425 HydrophobicContact CD2-CD2 4.29Å; L417-F425 HydrophobicContact CD2-CE2 3.32Å; L417-F425 HydrophobicContact CD2-CZ 3.67Å; L417-F425 HydrophobicContact CG-CE2 3.91Å; M422-F425 PolarHBondContact O-N 3.43Å; F425-S427 PolarHBondContact O-N 3.31Å; F425-G428 PolarHBondContact O-N 3.01Å; F425-L429 HydrophobicContact CE1-CD2 4.45Å; F425-L429 HydrophobicContact CE2-CD1 4.39Å; F425-L429 HydrophobicContact CZ-CD1 4.29Å; F425-L429 HydrophobicContact CZ-CD2 4.27Å; F425-L429 VanDerWaalsContact O-CB 3.26Å; F425-L429 WeakPolarHBondContact O-CB 3.4Å; F425-L429 PolarHBondContact O-N 2.84Å; F425-V464 HydrophobicContact CD1-CG1 3.67Å; F425-V464 HydrophobicContact CE1-CG1 4.32Å; F425-V464 HydrophobicContact CG-CG1 4.46Å; F425-V465 HydrophobicContact CE1-CG2 4.13Å; F425-C468 WeakPolarHBondContact CD1-SG 3.41Å; F425-C468 HydrophobicContact CE1-CB 4.25Å; F425-C468 WeakPolarHBondContact CE1-SG 3.4Å
426	E	50.5	Low	53.1	Low	34 Å²	34	41 Å²	41	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-50.1	175.6	-73.6	169.8	-169.8	0	0	112.1	M422 T430 N467 C468	M422-E426 VanDerWaalsContact CE-OE1 3.22Å; M422-E426 WeakPolarHBondContact CE-OE1 3.49Å; M422-E426 WeakPolarHBondContact O-CG 3.4Å; M422-E426 PolarHBondContact O-N 2.76Å; M422-E426 VanDerWaalsContact O-N 3.09Å; E426-T430 VanDerWaalsContact O-CB 3.28Å; E426-T430 WeakPolarHBondContact O-CB 3.15Å; E426-T430 PolarHBondContact O-N 3.32Å; E426-T430 PolarHBondContact O-OG1 3.33Å; E426-N467 WeakPolarHBondContact OE1-CB 3.38Å; E426-C468 WeakPolarHBondContact CA-SG 3.28Å; E426-C468 HydrophobicContact CG-CB 4.24Å; E426-C468 WeakPolarHBondContact CG-SG 3.36Å
427	S	54.4	Low	53	Low	42 Å²	42	40.9 Å²	40.9	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-72.4	-36.5	-176.2	-50.5	0	0	0	0	112.1	M382 A423 F425 L431	M382-S427 WeakPolarHBondContact SD-CB 3.26Å; A423-S427 WeakPolarHBondContact O-CB 3.41Å; A423-S427 PolarHBondContact O-N 3.01Å; A423-S427 VanDerWaalsContact O-N 3.16Å; A423-S427 PolarHBondContact O-OG 3.15Å; F425-S427 PolarHBondContact O-N 3.31Å; S427-L431 WeakPolarHBondContact O-CB 3.33Å; S427-L431 PolarHBondContact O-N 2.8Å
428	G	56.8	Low	52.8	Low	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-43	175.3	0	0	0	0	0	113.9	H424 F425 T430 L431 L432	H424-G428 PolarHBondContact O-N 3.11Å; F425-G428 PolarHBondContact O-N 3.01Å; G428-T430 VanDerWaalsContact C-N 3.34Å; G428-L431 PolarHBondContact O-N 3.4Å; G428-L432 WeakPolarHBondContact O-CB 3.01Å; G428-L432 WeakPolarHBondContact O-CD1 3.49Å; G428-L432 VanDerWaalsContact O-CG 3.23Å; G428-L432 WeakPolarHBondContact O-CG 3.46Å; G428-L432 PolarHBondContact O-N 2.96Å
429	L	56.2	Low	52.9	Low	9 Å²	9	45.2 Å²	45.2	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.8	175.6	-163.3	77.9	0	0	0	111.1	F425 L432 I433 C468 L472 L488	F425-L429 HydrophobicContact CE1-CD2 4.45Å; F425-L429 HydrophobicContact CE2-CD1 4.39Å; F425-L429 HydrophobicContact CZ-CD1 4.29Å; F425-L429 HydrophobicContact CZ-CD2 4.27Å; F425-L429 VanDerWaalsContact O-CB 3.26Å; F425-L429 WeakPolarHBondContact O-CB 3.4Å; F425-L429 PolarHBondContact O-N 2.84Å; L429-L432 PolarHBondContact O-N 3.29Å; L429-I433 HydrophobicContact CD2-CD1 4.21Å; L429-I433 HydrophobicContact CG-CD1 3.83Å; L429-I433 WeakPolarHBondContact O-CB 3.09Å; L429-I433 WeakPolarHBondContact O-CD1 3.38Å; L429-I433 WeakPolarHBondContact O-CG1 3.31Å; L429-I433 PolarHBondContact O-N 3.03Å; L429-C468 HydrophobicContact CD2-CB 3.94Å; L429-L472 HydrophobicContact CD2-CD1 4.3Å; L429-L488 HydrophobicContact CD1-CD1 4.06Å; L429-L488 HydrophobicContact CD2-CD1 4.16Å
430	T	55.5	Low	52.7	Low	29 Å²	29	44.2 Å²	44.2	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-44.1	176.4	-59.2	0	0	0	0	112	E426 G428 I433 N434	E426-T430 VanDerWaalsContact O-CB 3.28Å; E426-T430 WeakPolarHBondContact O-CB 3.15Å; E426-T430 PolarHBondContact O-N 3.32Å; E426-T430 PolarHBondContact O-OG1 3.33Å; G428-T430 VanDerWaalsContact C-N 3.34Å; T430-I433 PolarHBondContact O-N 3.28Å; T430-N434 VanDerWaalsContact CG2-ND2 3.31Å; T430-N434 WeakPolarHBondContact CG2-ND2 3.36Å; T430-N434 VanDerWaalsContact O-CB 3.27Å; T430-N434 WeakPolarHBondContact O-CB 3.45Å; T430-N434 PolarHBondContact O-N 3.19Å; T430-N434 PolarHBondContact O-ND2 3.44Å
431	L	57.4	Low	52.9	Low	22 Å²	22	37.6 Å²	37.6	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-45.8	174.9	-108	150.9	0	0	0	112.2	M382 L385 L389 S427 G428 I433 N434 E435	M382-L431 HydrophobicContact CE-CD1 3.41Å; M382-L431 VanDerWaalsContact CE-CD1 3.41Å; M382-L431 HydrophobicContact SD-CD1 3.98Å; L385-L431 HydrophobicContact CB-CD1 4.4Å; L389-L431 HydrophobicContact CD1-CB 3.66Å; L389-L431 HydrophobicContact CD1-CD1 4.44Å; L389-L431 HydrophobicContact CD1-CD2 3.55Å; L389-L431 HydrophobicContact CD1-CG 4.07Å; S427-L431 WeakPolarHBondContact O-CB 3.33Å; S427-L431 PolarHBondContact O-N 2.8Å; G428-L431 PolarHBondContact O-N 3.4Å; L431-I433 VanDerWaalsContact C-N 3.34Å; L431-I433 PolarHBondContact O-N 2.94Å; L431-N434 PolarHBondContact O-N 3.21Å; L431-E435 HydrophobicContact CD2-CG 4.26Å; L431-E435 WeakPolarHBondContact O-CB 3.27Å; L431-E435 PolarHBondContact O-N 2.84Å
432	L	57.6	Low	52.9	Low	9 Å²	9	36.8 Å²	36.8	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-46.8	175.2	-75.6	165.9	0	0	0	111.3	L389 F409 V413 L416 G428 L429 Y436 F437	L389-L432 HydrophobicContact CD2-CD2 3.91Å; F409-L432 HydrophobicContact CE1-CD2 4.14Å; F409-L432 HydrophobicContact CE2-CD2 4.05Å; F409-L432 HydrophobicContact CZ-CD2 3.38Å; V413-L432 HydrophobicContact CG2-CD1 4.28Å; L416-L432 HydrophobicContact CD1-CD1 3.83Å; G428-L432 WeakPolarHBondContact O-CB 3.01Å; G428-L432 WeakPolarHBondContact O-CD1 3.49Å; G428-L432 VanDerWaalsContact O-CG 3.23Å; G428-L432 WeakPolarHBondContact O-CG 3.46Å; G428-L432 PolarHBondContact O-N 2.96Å; L429-L432 PolarHBondContact O-N 3.29Å; L432-Y436 PolarHBondContact O-N 3.03Å; L432-F437 WeakPolarHBondContact O-CD2 3.46Å
433	I	55	Low	53.2	Low	4 Å²	4	35.1 Å²	35.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-40.2	-178.5	-70.5	168.4	0	0	0	112.9	L429 T430 L431 F437 L472 P477	L429-I433 HydrophobicContact CD2-CD1 4.21Å; L429-I433 HydrophobicContact CG-CD1 3.83Å; L429-I433 WeakPolarHBondContact O-CB 3.09Å; L429-I433 WeakPolarHBondContact O-CD1 3.38Å; L429-I433 WeakPolarHBondContact O-CG1 3.31Å; L429-I433 PolarHBondContact O-N 3.03Å; T430-I433 PolarHBondContact O-N 3.28Å; L431-I433 VanDerWaalsContact C-N 3.34Å; L431-I433 PolarHBondContact O-N 2.94Å; I433-F437 HydrophobicContact CB-CD2 4.3Å; I433-F437 HydrophobicContact CB-CE2 4.38Å; I433-F437 HydrophobicContact CG1-CD2 4Å; I433-F437 HydrophobicContact CG1-CE2 3.58Å; I433-F437 HydrophobicContact CG1-CZ 4.44Å; I433-L472 HydrophobicContact CB-CD2 3.94Å; I433-L472 HydrophobicContact CD1-CD1 3.39Å; I433-L472 HydrophobicContact CD1-CD2 3.49Å; I433-L472 VanDerWaalsContact CD1-CD2 3.49Å; I433-L472 HydrophobicContact CD1-CG 4.06Å; I433-L472 HydrophobicContact CG1-CD2 4.3Å; I433-L472 HydrophobicContact CG2-CD2 3.81Å; I433-P477 HydrophobicContact CG2-CB 3.68Å
434	N	53.9	Low	53.5	Low	79 Å²	79	33.5 Å²	33.5	42%	0.422	19%	0.188	S	C	.	.	H	α-helix	trans	-84.9	-35.1	-173.7	-73.3	-22.4	0	0	0	113.9	T430 L431 C475	T430-N434 VanDerWaalsContact CG2-ND2 3.31Å; T430-N434 WeakPolarHBondContact CG2-ND2 3.36Å; T430-N434 VanDerWaalsContact O-CB 3.27Å; T430-N434 WeakPolarHBondContact O-CB 3.45Å; T430-N434 PolarHBondContact O-N 3.19Å; T430-N434 PolarHBondContact O-ND2 3.44Å; L431-N434 PolarHBondContact O-N 3.21Å; N434-C475 PolarHBondContact ND2-SG 2.97Å; N434-C475 VanDerWaalsContact OD1-CB 3.32Å; N434-C475 WeakPolarHBondContact OD1-CB 3.46Å
435	E	55.1	Low	53.6	Low	111 Å²	111	39.9 Å²	39.9	52%	0.519	22%	0.215	S	C	.	.	H	α-helix	trans	-104	-24.2	-168.9	-65.8	-161.1	164.6	0	0	115	L431	L431-E435 HydrophobicContact CD2-CG 4.26Å; L431-E435 WeakPolarHBondContact O-CB 3.27Å; L431-E435 PolarHBondContact O-N 2.84Å
436	Y	53.9	Low	53.7	Low	21 Å²	21	43.8 Å²	43.8	8%	0.082	23%	0.234	C	C	.	.	S	Bend	trans	-133	2.7	-166.2	-65.2	-88.3	0	0	0	116.2	L389 R393 L432 A438 D439 C440	L389-Y436 HydrophobicContact CB-CD2 4.32Å; L389-Y436 HydrophobicContact CB-CE2 3.6Å; L389-Y436 HydrophobicContact CD1-CD2 4.44Å; L389-Y436 HydrophobicContact CD1-CE2 4.23Å; L389-Y436 HydrophobicContact CD2-CD2 3.66Å; L389-Y436 HydrophobicContact CD2-CE2 3.85Å; L389-Y436 HydrophobicContact CD2-CG 4.24Å; L389-Y436 HydrophobicContact CG-CD2 4.34Å; L389-Y436 HydrophobicContact CG-CE2 4.08Å; L389-Y436 PolarHBondContact O-OH 2.92Å; L389-Y436 VanDerWaalsContact O-OH 3.09Å; R393-Y436 HydrophobicContact CB-CE1 3.73Å; R393-Y436 WeakPolarHBondContact CB-OH 3.49Å; R393-Y436 WeakPolarHBondContact CD-OH 3.26Å; R393-Y436 HydrophobicContact CG-CE1 3.93Å; R393-Y436 WeakPolarHBondContact CG-OH 3.44Å; L432-Y436 PolarHBondContact O-N 3.03Å; Y436-A438 PolarHBondContact O-N 3.3Å; Y436-A438 VanDerWaalsContact O-N 3.09Å; Y436-D439 PolarHBondContact O-N 3.22Å; Y436-C440 PolarHBondContact O-N 3.34Å
437	F	54.3	Low	53.9	Low	6 Å²	6	42.6 Å²	42.6	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.5	-167.2	-129.9	-90.6	0	0	0	116.2	L432 I433 D439 L444 D480 G481 I484	L432-F437 WeakPolarHBondContact O-CD2 3.46Å; I433-F437 HydrophobicContact CB-CD2 4.3Å; I433-F437 HydrophobicContact CB-CE2 4.38Å; I433-F437 HydrophobicContact CG1-CD2 4Å; I433-F437 HydrophobicContact CG1-CE2 3.58Å; I433-F437 HydrophobicContact CG1-CZ 4.44Å; F437-D439 VanDerWaalsContact C-N 3.35Å; F437-L444 HydrophobicContact CD2-CD1 3.76Å; F437-L444 HydrophobicContact CE1-CD1 4.23Å; F437-L444 HydrophobicContact CE2-CD1 3.31Å; F437-L444 HydrophobicContact CE2-CD2 3.88Å; F437-L444 HydrophobicContact CE2-CG 4.13Å; F437-L444 HydrophobicContact CG-CD1 4.5Å; F437-L444 HydrophobicContact CZ-CB 4.25Å; F437-L444 HydrophobicContact CZ-CD1 3.6Å; F437-L444 HydrophobicContact CZ-CD2 4.05Å; F437-L444 HydrophobicContact CZ-CG 4.17Å; F437-D480 HydrophobicContact CD1-CB 3.91Å; F437-D480 HydrophobicContact CE1-CB 4.09Å; F437-D480 WeakPolarHBondContact CE1-O 3.47Å; F437-G481 VanDerWaalsContact CD1-CA 3.41Å; F437-I484 HydrophobicContact CE1-CB 4.13Å; F437-I484 HydrophobicContact CE1-CD1 3.34Å; F437-I484 HydrophobicContact CE1-CG1 4.26Å; F437-I484 HydrophobicContact CZ-CB 3.71Å; F437-I484 HydrophobicContact CZ-CD1 3.45Å; F437-I484 VanDerWaalsContact CZ-CD1 3.45Å; F437-I484 HydrophobicContact CZ-CG1 4.14Å; F437-I484 HydrophobicContact CZ-CG2 3.8Å
438	A	48.3	Very low	54	Low	83 Å²	83	41 Å²	41	69%	0.686	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-34	174	0	0	0	0	0	112	Y436	Y436-A438 PolarHBondContact O-N 3.3Å; Y436-A438 VanDerWaalsContact O-N 3.09Å
439	D	52.8	Low	54.1	Low	97 Å²	97	44.9 Å²	44.9	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-22.2	-173.6	-68.8	-31.9	0	0	0	113.2	L398 Y436 F437	L398-D439 HydrophobicContact CB-CB 4.33Å; Y436-D439 PolarHBondContact O-N 3.22Å; F437-D439 VanDerWaalsContact C-N 3.35Å
440	C	49.4	Very low	54.1	Low	2 Å²	2	47.6 Å²	47.6	1%	0.014	26%	0.259	C	S	.	.	S	Bend	trans	-101.3	5.8	-176.1	-60.9	0	0	0	0	115.5	F409 Y436 Q442 L443 L444	F409-C440 HydrophobicContact CE1-CB 4.36Å; F409-C440 HydrophobicContact CZ-CB 4.1Å; Y436-C440 PolarHBondContact O-N 3.34Å; C440-Q442 VanDerWaalsContact C-N 3.33Å; C440-Q442 PolarHBondContact O-N 3.36Å; C440-L443 WeakPolarHBondContact O-CB 3.45Å; C440-L443 PolarHBondContact O-N 3.47Å; C440-L444 HydrophobicContact CB-CD1 3.99Å; C440-L444 WeakPolarHBondContact O-CD1 3.28Å; C440-L444 PolarHBondContact O-N 3.36Å
441	S	51.4	Low	54	Low	31 Å²	31	47 Å²	47	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-37.8	-169.9	62.7	0	0	0	0	114.4	L443 K445 D480 I484	S441-L443 VanDerWaalsContact C-N 3.35Å; S441-K445 WeakPolarHBondContact O-CB 3.25Å; S441-K445 PolarHBondContact O-N 2.88Å; S441-K445 VanDerWaalsContact O-N 3.15Å; S441-D480 WeakPolarHBondContact CB-OD2 3.34Å; S441-D480 PolarHBondContact OG-OD2 3.4Å; S441-I484 WeakPolarHBondContact O-CD1 3.39Å
442	Q	51.6	Low	53.9	Low	84 Å²	84	49.1 Å²	49.1	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-69.9	-34.7	177.7	-172.6	169.9	-15.3	0	0	112.5	R401 C440 K445 E446	R401-Q442 VanDerWaalsContact NH2-CD 3.27Å; C440-Q442 VanDerWaalsContact C-N 3.33Å; C440-Q442 PolarHBondContact O-N 3.36Å; Q442-K445 WeakPolarHBondContact O-CB 3.3Å; Q442-K445 PolarHBondContact O-N 3.44Å; Q442-E446 WeakPolarHBondContact O-CG 3.36Å; Q442-E446 PolarHBondContact O-N 2.87Å
443	L	49.8	Very low	53.7	Low	23 Å²	23	50.9 Å²	50.9	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-72.3	-42.8	-177.6	-129	135	0	0	0	111.6	C406 F409 N410 C440 S441 K445 E446 T447	C406-L443 HydrophobicContact CB-CD1 3.86Å; C406-L443 HydrophobicContact CB-CD2 4.39Å; C406-L443 HydrophobicContact CB-CG 4.18Å; C406-L443 WeakPolarHBondContact O-CD2 3.24Å; C406-L443 VanDerWaalsContact SG-CD1 3.54Å; F409-L443 HydrophobicContact CB-CD2 3.75Å; F409-L443 HydrophobicContact CD1-CD2 3.33Å; F409-L443 HydrophobicContact CE1-CD2 4.18Å; F409-L443 HydrophobicContact CG-CD2 3.87Å; N410-L443 VanDerWaalsContact OD1-CD2 3.26Å; N410-L443 WeakPolarHBondContact OD1-CD2 3.28Å; C440-L443 WeakPolarHBondContact O-CB 3.45Å; C440-L443 PolarHBondContact O-N 3.47Å; S441-L443 VanDerWaalsContact C-N 3.35Å; L443-K445 VanDerWaalsContact C-N 3.28Å; L443-K445 PolarHBondContact O-N 3Å; L443-E446 PolarHBondContact O-N 3.47Å; L443-T447 PolarHBondContact O-N 3.38Å; L443-T447 PolarHBondContact O-OG1 3.32Å
444	L	53.6	Low	53.2	Low	6 Å²	6	56.2 Å²	56.2	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-35	169.9	-83.7	129.7	0	0	0	111.9	F437 C440 T447 V448 I484	F437-L444 HydrophobicContact CD2-CD1 3.76Å; F437-L444 HydrophobicContact CE1-CD1 4.23Å; F437-L444 HydrophobicContact CE2-CD1 3.31Å; F437-L444 HydrophobicContact CE2-CD2 3.88Å; F437-L444 HydrophobicContact CE2-CG 4.13Å; F437-L444 HydrophobicContact CG-CD1 4.5Å; F437-L444 HydrophobicContact CZ-CB 4.25Å; F437-L444 HydrophobicContact CZ-CD1 3.6Å; F437-L444 HydrophobicContact CZ-CD2 4.05Å; F437-L444 HydrophobicContact CZ-CG 4.17Å; C440-L444 HydrophobicContact CB-CD1 3.99Å; C440-L444 WeakPolarHBondContact O-CD1 3.28Å; C440-L444 PolarHBondContact O-N 3.36Å; L444-T447 PolarHBondContact O-N 3.34Å; L444-V448 WeakPolarHBondContact O-CB 3.32Å; L444-V448 WeakPolarHBondContact O-CG2 3.1Å; L444-V448 PolarHBondContact O-N 2.9Å; L444-I484 HydrophobicContact CB-CD1 3.37Å; L444-I484 HydrophobicContact CB-CG1 4.26Å; L444-I484 HydrophobicContact CB-CG2 4.43Å; L444-I484 HydrophobicContact CD2-CG2 4.14Å; L444-I484 HydrophobicContact CG-CD1 4.5Å
445	K	55.3	Low	52.9	Low	137 Å²	137	56.8 Å²	56.8	60%	0.596	32%	0.32	S	S	*	.	H	α-helix	trans	-64.2	-40.2	175.1	-168.8	-177.6	-178.6	-178.2	0	112	S441 Q442 L443 S449	S441-K445 WeakPolarHBondContact O-CB 3.25Å; S441-K445 PolarHBondContact O-N 2.88Å; S441-K445 VanDerWaalsContact O-N 3.15Å; Q442-K445 WeakPolarHBondContact O-CB 3.3Å; Q442-K445 PolarHBondContact O-N 3.44Å; L443-K445 VanDerWaalsContact C-N 3.28Å; L443-K445 PolarHBondContact O-N 3Å; K445-S449 WeakPolarHBondContact O-CB 3.26Å; K445-S449 PolarHBondContact O-N 2.88Å
446	E	55.8	Low	52.8	Low	91 Å²	91	55.7 Å²	55.7	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-45.7	173.9	-72.7	169.6	-165.9	0	0	111.1	Q442 L443 V448 S449 D450	Q442-E446 WeakPolarHBondContact O-CG 3.36Å; Q442-E446 PolarHBondContact O-N 2.87Å; L443-E446 PolarHBondContact O-N 3.47Å; E446-V448 VanDerWaalsContact C-N 3.35Å; E446-V448 PolarHBondContact O-N 2.75Å; E446-S449 WeakPolarHBondContact O-CB 3.45Å; E446-S449 PolarHBondContact O-N 3.23Å; E446-D450 PolarHBondContact O-N 3.48Å
447	T	53.7	Low	52.6	Low	9 Å²	9	55.2 Å²	55.2	6%	0.055	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-43.1	176	-59.6	0	0	0	0	112.3	N410 V413 L417 L443 L444 D450 L451	N410-T447 PolarHBondContact OD1-OG1 2.95Å; V413-T447 HydrophobicContact CB-CG2 4.25Å; V413-T447 HydrophobicContact CG1-CG2 3.64Å; L417-T447 HydrophobicContact CD1-CG2 4.18Å; L443-T447 PolarHBondContact O-N 3.38Å; L443-T447 PolarHBondContact O-OG1 3.32Å; L444-T447 PolarHBondContact O-N 3.34Å; T447-D450 VanDerWaalsContact O-CB 3.28Å; T447-D450 WeakPolarHBondContact O-CB 3.37Å; T447-D450 PolarHBondContact O-N 3.1Å; T447-L451 HydrophobicContact CG2-CD1 4.47Å; T447-L451 WeakPolarHBondContact O-CG 3.22Å; T447-L451 PolarHBondContact O-N 3.32Å
448	V	57.1	Low	52.2	Low	7 Å²	7	59.2 Å²	59.2	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-35.6	178.1	171.8	0	0	0	0	111.9	L444 E446 D450 L451 N452 I484 T487 L488 I491	L444-V448 WeakPolarHBondContact O-CB 3.32Å; L444-V448 WeakPolarHBondContact O-CG2 3.1Å; L444-V448 PolarHBondContact O-N 2.9Å; E446-V448 VanDerWaalsContact C-N 3.35Å; E446-V448 PolarHBondContact O-N 2.75Å; V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 PolarHBondContact O-N 2.67Å; V448-L451 PolarHBondContact O-N 3.04Å; V448-N452 PolarHBondContact O-N 3.21Å; V448-N452 VanDerWaalsContact O-N 3.14Å; V448-N452 PolarHBondContact O-ND2 3.16Å; V448-I484 HydrophobicContact CG2-CG2 4.07Å; V448-T487 HydrophobicContact CG1-CG2 3.2Å; V448-L488 HydrophobicContact CG2-CD2 4.03Å; V448-L488 HydrophobicContact CG2-CG 4.28Å; V448-I491 HydrophobicContact CG1-CD1 3.91Å
449	S	59.6	Low	52.4	Low	83 Å²	83	62.7 Å²	62.7	58%	0.58	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-39.3	171.1	-172.9	0	0	0	0	111.4	K445 E446 N452	K445-S449 WeakPolarHBondContact O-CB 3.26Å; K445-S449 PolarHBondContact O-N 2.88Å; E446-S449 WeakPolarHBondContact O-CB 3.45Å; E446-S449 PolarHBondContact O-N 3.23Å; S449-N452 PolarHBondContact O-N 3.1Å
450	D	56.3	Low	52.3	Low	65 Å²	65	59 Å²	59	35%	0.348	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176	-117.7	31.8	0	0	0	112	R414 E446 T447 V448 N452 S453 K456	R414-D450 IonicContact CZ-OD2 3.84Å; R414-D450 IonicContact NH2-OD2 3.77Å; R414-D450 PolarHBondContact NH2-OD2 3.42Å; E446-D450 PolarHBondContact O-N 3.48Å; T447-D450 VanDerWaalsContact O-CB 3.28Å; T447-D450 WeakPolarHBondContact O-CB 3.37Å; T447-D450 PolarHBondContact O-N 3.1Å; V448-D450 VanDerWaalsContact C-N 3.28Å; V448-D450 PolarHBondContact O-N 2.67Å; D450-N452 VanDerWaalsContact C-N 3.31Å; D450-N452 PolarHBondContact O-N 3.38Å; D450-S453 PolarHBondContact O-N 3.39Å; D450-S453 PolarHBondContact O-OG 3.14Å; D450-K456 IonicContact OD2-NZ 3.29Å; D450-K456 PolarHBondContact OD2-NZ 3.11Å
451	L	53.3	Low	52.6	Low	18 Å²	18	67.8 Å²	67.8	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-31.1	176.8	-74.7	169.6	0	0	0	113	L417 T447 V448 S453 I457 L460 L488 I491	L417-L451 HydrophobicContact CD1-CD1 3.81Å; L417-L451 HydrophobicContact CD1-CD2 3.86Å; L417-L451 HydrophobicContact CD1-CG 4.19Å; L417-L451 HydrophobicContact CD2-CD1 4.11Å; L417-L451 HydrophobicContact CD2-CD2 4.47Å; T447-L451 HydrophobicContact CG2-CD1 4.47Å; T447-L451 WeakPolarHBondContact O-CG 3.22Å; T447-L451 PolarHBondContact O-N 3.32Å; V448-L451 PolarHBondContact O-N 3.04Å; L451-S453 PolarHBondContact O-N 2.95Å; L451-S453 VanDerWaalsContact O-N 3.14Å; L451-I457 WeakPolarHBondContact O-CG1 3.36Å; L451-L460 HydrophobicContact CD2-CD1 4.06Å; L451-L488 HydrophobicContact CD1-CD2 4.05Å; L451-I491 HydrophobicContact CB-CD1 4.15Å
452	N	53.8	Low	52.4	Low	65 Å²	65	67.8 Å²	67.8	35%	0.348	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.3	176.9	-88.4	-48.2	0	0	0	114	V448 S449 D450 T454 I491	V448-N452 PolarHBondContact O-N 3.21Å; V448-N452 VanDerWaalsContact O-N 3.14Å; V448-N452 PolarHBondContact O-ND2 3.16Å; S449-N452 PolarHBondContact O-N 3.1Å; D450-N452 VanDerWaalsContact C-N 3.31Å; D450-N452 PolarHBondContact O-N 3.38Å; N452-T454 PolarHBondContact O-N 3.21Å; N452-I491 WeakPolarHBondContact OD1-CG1 3.47Å
453	S	53.5	Low	52.5	Low	46 Å²	46	69.9 Å²	69.9	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-76.5	122.2	176	63.9	0	0	0	0	111.5	D450 L451 P455 K456	D450-S453 PolarHBondContact O-N 3.39Å; D450-S453 PolarHBondContact O-OG 3.14Å; L451-S453 PolarHBondContact O-N 2.95Å; L451-S453 VanDerWaalsContact O-N 3.14Å; S453-P455 VanDerWaalsContact C-N 3.3Å; S453-K456 PolarHBondContact O-N 2.75Å
454	T	45.1	Very low	52.5	Low	116 Å²	116	69.7 Å²	69.7	71%	0.712	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	73.8	174.5	32.6	0	0	0	0	109.9	N452 I457	N452-T454 PolarHBondContact O-N 3.21Å; T454-I457 HydrophobicContact CG2-CD1 4.12Å
455	P	46.8	Very low	52.3	Low	92 Å²	92	69.5 Å²	69.5	60%	0.597	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn		-130.6	-0.8	97.5	31.2	-19.3	0	0	0	115.3	S453	S453-P455 VanDerWaalsContact C-N 3.3Å
456	K	53.4	Low	52.1	Low	87 Å²	87	63.2 Å²	63.2	38%	0.378	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.4	-175.9	-67.1	-179.2	-176.4	168.4	0	113.8	D450 S453 D458	D450-K456 IonicContact OD2-NZ 3.29Å; D450-K456 PolarHBondContact OD2-NZ 3.11Å; S453-K456 PolarHBondContact O-N 2.75Å; K456-D458 PolarHBondContact O-N 3.41Å
457	I	49	Very low	52.1	Low	11 Å²	11	62 Å²	62	6%	0.056	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-61.8	-28.5	176.2	-60.2	178.9	0	0	0	111.7	L451 T454 M459 L460 I491 R495	L451-I457 WeakPolarHBondContact O-CG1 3.36Å; T454-I457 HydrophobicContact CG2-CD1 4.12Å; I457-M459 PolarHBondContact O-N 2.91Å; I457-M459 VanDerWaalsContact O-N 3.14Å; I457-L460 PolarHBondContact O-N 3.4Å; I457-I491 HydrophobicContact CD1-CG2 4.38Å; I457-I491 HydrophobicContact CG1-CG2 4.18Å; I457-I491 HydrophobicContact CG2-CG2 4.23Å; I457-R495 HydrophobicContact CG2-CB 3.82Å; I457-R495 HydrophobicContact CG2-CG 4.19Å
458	D	47.6	Very low	51.9	Low	91 Å²	91	61.5 Å²	61.5	49%	0.487	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.3	-175	-73.5	-47.3	0	0	0	114.1	K456 R495	K456-D458 PolarHBondContact O-N 3.41Å; D458-R495 IonicContact OD1-CZ 3.49Å; D458-R495 IonicContact OD1-NE 2.96Å; D458-R495 IonicContact OD1-NH1 3.73Å; D458-R495 PolarHBondContact OD1-NH1 3.48Å; D458-R495 IonicContact OD1-NH2 2.68Å; D458-R495 PolarHBondContact OD1-NH2 3.27Å
459	M	50.9	Low	51.8	Low	156 Å²	156	61.4 Å²	61.4	77%	0.768	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-86.7	-16.4	-176.5	-68.5	-164.6	164.6	0	0	114.5	L418 I457 R461	L418-M459 HydrophobicContact CD2-SD 4.14Å; I457-M459 PolarHBondContact O-N 2.91Å; I457-M459 VanDerWaalsContact O-N 3.14Å; M459-R461 PolarHBondContact O-N 3.46Å
460	L	52.2	Low	51.5	Low	20 Å²	20	60.2 Å²	60.2	11%	0.105	31%	0.309	C	S	.	.	S	Bend	trans	-85.7	110.3	-179.5	-76.3	158.6	0	0	0	110	L417 L451 I457 F462 V465	L417-L460 HydrophobicContact CD2-CD2 4.01Å; L451-L460 HydrophobicContact CD2-CD1 4.06Å; I457-L460 PolarHBondContact O-N 3.4Å; L460-F462 PolarHBondContact O-N 2.85Å; L460-V465 HydrophobicContact CD2-CG2 4.05Å
461	R	54.2	Low	51.2	Low	185 Å²	185	59.6 Å²	59.6	70%	0.698	31%	0.309	S	S	*	.			trans	-66.3	127.3	170	-71.5	-178.3	-174.8	-174.5	2.6	108.8	M459 E463 V464	M459-R461 PolarHBondContact O-N 3.46Å; R461-E463 VanDerWaalsContact C-N 3.25Å; R461-E463 PolarHBondContact O-N 3.23Å; R461-V464 HydrophobicContact CB-CB 4.34Å; R461-V464 HydrophobicContact CB-CG2 3.49Å; R461-V464 VanDerWaalsContact CB-CG2 3.49Å; R461-V464 HydrophobicContact CG-CG2 4.45Å; R461-V464 WeakPolarHBondContact O-CA 3.2Å; R461-V464 WeakPolarHBondContact O-CB 3.17Å; R461-V464 PolarHBondContact O-N 3.11Å
462	F	47	Very low	51	Low	32 Å²	32	58.8 Å²	58.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-52.6	-42.7	-178.4	173.6	-100.3	0	0	0	113.2	L460 V464 V465 C466 C492 K496	L460-F462 PolarHBondContact O-N 2.85Å; F462-V464 PolarHBondContact O-N 3.15Å; F462-V465 PolarHBondContact O-N 3.45Å; F462-C466 VanDerWaalsContact CE1-SG 3.5Å; F462-C466 WeakPolarHBondContact CZ-SG 3.25Å; F462-C466 PolarHBondContact O-N 2.86Å; F462-C466 VanDerWaalsContact O-N 3.13Å; F462-C492 HydrophobicContact CD2-CB 3.96Å; F462-C492 VanDerWaalsContact CD2-O 3.25Å; F462-C492 WeakPolarHBondContact CD2-O 3.36Å; F462-C492 HydrophobicContact CE2-CB 4.27Å; F462-K496 HydrophobicContact CD1-CD 3.87Å; F462-K496 HydrophobicContact CD1-CG 4.28Å; F462-K496 HydrophobicContact CD2-CB 3.57Å; F462-K496 HydrophobicContact CD2-CD 4.08Å; F462-K496 HydrophobicContact CD2-CG 4.19Å; F462-K496 HydrophobicContact CE1-CD 3.5Å; F462-K496 VanDerWaalsContact CE1-CE 3.42Å; F462-K496 HydrophobicContact CE1-CG 4.38Å; F462-K496 VanDerWaalsContact CE1-NZ 3.29Å; F462-K496 HydrophobicContact CE2-CB 3.77Å; F462-K496 HydrophobicContact CE2-CD 3.7Å; F462-K496 HydrophobicContact CE2-CG 4.25Å; F462-K496 HydrophobicContact CG-CB 3.96Å; F462-K496 HydrophobicContact CG-CD 4.16Å; F462-K496 HydrophobicContact CG-CG 4.19Å; F462-K496 HydrophobicContact CZ-CB 4.37Å; F462-K496 HydrophobicContact CZ-CD 3.4Å; F462-K496 VanDerWaalsContact CZ-CD 3.4Å; F462-K496 HydrophobicContact CZ-CG 4.36Å
463	E	54	Low	50.8	Low	127 Å²	127	58.5 Å²	58.5	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-57.9	-31.6	177.4	-67	154.4	-177.1	0	0	112	R461 N467	R461-E463 VanDerWaalsContact C-N 3.25Å; R461-E463 PolarHBondContact O-N 3.23Å; E463-N467 VanDerWaalsContact O-CG 3.25Å; E463-N467 PolarHBondContact O-N 3.49Å; E463-N467 PolarHBondContact O-OD1 2.9Å
464	V	50.5	Low	50.8	Low	20 Å²	20	63.7 Å²	63.7	12%	0.121	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-49.6	-176.7	-178.6	0	0	0	0	112.2	M422 F425 R461 F462 C468	M422-V464 HydrophobicContact CE-CB 4.06Å; M422-V464 HydrophobicContact CE-CG1 4.21Å; M422-V464 HydrophobicContact CE-CG2 4.03Å; M422-V464 HydrophobicContact CG-CB 4.49Å; M422-V464 HydrophobicContact CG-CG1 4.29Å; M422-V464 HydrophobicContact CG-CG2 3.74Å; M422-V464 HydrophobicContact SD-CB 4.28Å; M422-V464 HydrophobicContact SD-CG2 3.57Å; M422-V464 VanDerWaalsContact SD-CG2 3.57Å; F425-V464 HydrophobicContact CD1-CG1 3.67Å; F425-V464 HydrophobicContact CE1-CG1 4.32Å; F425-V464 HydrophobicContact CG-CG1 4.46Å; R461-V464 HydrophobicContact CB-CB 4.34Å; R461-V464 HydrophobicContact CB-CG2 3.49Å; R461-V464 VanDerWaalsContact CB-CG2 3.49Å; R461-V464 HydrophobicContact CG-CG2 4.45Å; R461-V464 WeakPolarHBondContact O-CA 3.2Å; R461-V464 WeakPolarHBondContact O-CB 3.17Å; R461-V464 PolarHBondContact O-N 3.11Å; F462-V464 PolarHBondContact O-N 3.15Å; V464-C468 PolarHBondContact O-N 2.88Å; V464-C468 VanDerWaalsContact O-N 3.17Å; V464-C468 PolarHBondContact O-SG 3.34Å
465	V	50.3	Low	50.9	Low	2 Å²	2	59.3 Å²	59.3	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-76.9	-32.5	-178.7	-175.8	0	0	0	0	110.6	F425 L460 F462 N467 C468 L469 L488 C492	F425-V465 HydrophobicContact CE1-CG2 4.13Å; L460-V465 HydrophobicContact CD2-CG2 4.05Å; F462-V465 PolarHBondContact O-N 3.45Å; V465-N467 PolarHBondContact O-N 3.27Å; V465-C468 WeakPolarHBondContact O-CB 3.48Å; V465-C468 PolarHBondContact O-N 3.41Å; V465-L469 HydrophobicContact CG1-CD1 3.91Å; V465-L469 HydrophobicContact CG1-CG 4.18Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 WeakPolarHBondContact O-CD1 3.45Å; V465-L469 WeakPolarHBondContact O-CG 3.4Å; V465-L469 PolarHBondContact O-N 3.02Å; V465-L488 HydrophobicContact CG1-CB 4.35Å; V465-C492 HydrophobicContact CB-CB 4.21Å; V465-C492 WeakPolarHBondContact CB-SG 3.3Å; V465-C492 HydrophobicContact CG1-CB 4.36Å; V465-C492 WeakPolarHBondContact CG1-SG 3.31Å; V465-C492 WeakPolarHBondContact CG2-SG 3.48Å
466	C	51.2	Low	51.2	Low	5 Å²	5	60.4 Å²	60.4	3%	0.034	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-44.1	172.3	-81.9	0	0	0	0	112.8	F462 C468 L469 D470	F462-C466 VanDerWaalsContact CE1-SG 3.5Å; F462-C466 WeakPolarHBondContact CZ-SG 3.25Å; F462-C466 PolarHBondContact O-N 2.86Å; F462-C466 VanDerWaalsContact O-N 3.13Å; C466-C468 VanDerWaalsContact C-N 3.33Å; C466-C468 PolarHBondContact O-N 3.48Å; C466-L469 PolarHBondContact O-N 3.34Å; C466-D470 VanDerWaalsContact O-CG 3.23Å; C466-D470 PolarHBondContact O-N 2.85Å
467	N	54.1	Low	51.2	Low	64 Å²	64	56.5 Å²	56.5	34%	0.342	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-36.7	176.6	-67.5	-3.6	0	0	0	111.7	M422 E426 E463 V465 L469 D470 C471	M422-N467 HydrophobicContact CE-CB 3.65Å; M422-N467 WeakPolarHBondContact CE-ND2 3.12Å; E426-N467 WeakPolarHBondContact OE1-CB 3.38Å; E463-N467 VanDerWaalsContact O-CG 3.25Å; E463-N467 PolarHBondContact O-N 3.49Å; E463-N467 PolarHBondContact O-OD1 2.9Å; V465-N467 PolarHBondContact O-N 3.27Å; N467-L469 VanDerWaalsContact C-N 3.34Å; N467-L469 PolarHBondContact O-N 3.23Å; N467-D470 WeakPolarHBondContact O-CB 3.37Å; N467-D470 PolarHBondContact O-N 3.45Å; N467-C471 PolarHBondContact O-N 3.28Å; N467-C471 PolarHBondContact O-SG 2.89Å
468	C	49.9	Very low	51.6	Low	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-42.4	171.1	-66.1	0	0	0	0	112.9	F425 E426 L429 V464 V465 C466 D470 C471 L472	F425-C468 WeakPolarHBondContact CD1-SG 3.41Å; F425-C468 HydrophobicContact CE1-CB 4.25Å; F425-C468 WeakPolarHBondContact CE1-SG 3.4Å; E426-C468 WeakPolarHBondContact CA-SG 3.28Å; E426-C468 HydrophobicContact CG-CB 4.24Å; E426-C468 WeakPolarHBondContact CG-SG 3.36Å; L429-C468 HydrophobicContact CD2-CB 3.94Å; V464-C468 PolarHBondContact O-N 2.88Å; V464-C468 VanDerWaalsContact O-N 3.17Å; V464-C468 PolarHBondContact O-SG 3.34Å; V465-C468 WeakPolarHBondContact O-CB 3.48Å; V465-C468 PolarHBondContact O-N 3.41Å; C466-C468 VanDerWaalsContact C-N 3.33Å; C466-C468 PolarHBondContact O-N 3.48Å; C468-D470 VanDerWaalsContact C-N 3.31Å; C468-C471 WeakPolarHBondContact O-CB 3.24Å; C468-C471 PolarHBondContact O-N 3.25Å; C468-L472 VanDerWaalsContact O-CG 3.31Å; C468-L472 WeakPolarHBondContact O-CG 3.12Å; C468-L472 PolarHBondContact O-N 3.42Å; C468-L472 VanDerWaalsContact O-N 3.1Å
469	L	54.4	Low	52	Low	5 Å²	5	54.6 Å²	54.6	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-69.7	-33.2	179.1	-66	166	0	0	0	111.3	V465 C466 N467 L472 N473 A485 Y489 F526 R530	V465-L469 HydrophobicContact CG1-CD1 3.91Å; V465-L469 HydrophobicContact CG1-CG 4.18Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 WeakPolarHBondContact O-CD1 3.45Å; V465-L469 WeakPolarHBondContact O-CG 3.4Å; V465-L469 PolarHBondContact O-N 3.02Å; C466-L469 PolarHBondContact O-N 3.34Å; N467-L469 VanDerWaalsContact C-N 3.34Å; N467-L469 PolarHBondContact O-N 3.23Å; L469-L472 HydrophobicContact CD2-CD1 4.2Å; L469-L472 PolarHBondContact O-N 3.13Å; L469-N473 PolarHBondContact O-N 3.17Å; L469-A485 HydrophobicContact CD2-CB 4.09Å; L469-A485 WeakPolarHBondContact CD2-O 3.25Å; L469-Y489 HydrophobicContact CD1-CD2 3.37Å; L469-Y489 HydrophobicContact CD1-CE2 4.43Å; L469-Y489 HydrophobicContact CD1-CG 3.96Å; L469-F526 HydrophobicContact CB-CD2 4.12Å; L469-F526 HydrophobicContact CB-CE2 3.82Å; L469-F526 HydrophobicContact CD2-CD2 4.25Å; L469-F526 HydrophobicContact CD2-CE1 4.36Å; L469-F526 HydrophobicContact CD2-CE2 3.31Å; L469-F526 HydrophobicContact CD2-CZ 3.41Å; L469-F526 VanDerWaalsContact CD2-CZ 3.41Å; L469-F526 HydrophobicContact CG-CE2 4.07Å; L469-R530 PolarHBondContact O-NH2 3.36Å
470	D	54.9	Low	52.2	Low	58 Å²	58	49.2 Å²	49.2	31%	0.31	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-43.8	171.2	-68.7	-24.5	0	0	0	110.8	C466 N467 C468 L472 N473 K522	C466-D470 VanDerWaalsContact O-CG 3.23Å; C466-D470 PolarHBondContact O-N 2.85Å; N467-D470 WeakPolarHBondContact O-CB 3.37Å; N467-D470 PolarHBondContact O-N 3.45Å; C468-D470 VanDerWaalsContact C-N 3.31Å; D470-L472 PolarHBondContact O-N 3.42Å; D470-N473 VanDerWaalsContact O-CB 3.28Å; D470-N473 WeakPolarHBondContact O-CB 3.03Å; D470-N473 PolarHBondContact O-N 3.16Å; D470-K522 IonicContact OD1-NZ 3.85Å; D470-K522 IonicContact OD2-NZ 3.45Å; D470-K522 PolarHBondContact OD2-NZ 3.49Å
471	C	49.1	Very low	52.5	Low	52 Å²	52	48.3 Å²	48.3	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-32.4	173.2	-66.6	0	0	0	0	113.1	N467 C468 N473	N467-C471 PolarHBondContact O-N 3.28Å; N467-C471 PolarHBondContact O-SG 2.89Å; C468-C471 WeakPolarHBondContact O-CB 3.24Å; C468-C471 PolarHBondContact O-N 3.25Å; C471-N473 PolarHBondContact O-N 3.09Å
472	L	50.1	Low	52.8	Low	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.6	-10.7	176.9	-66.5	166.6	0	0	0	113.1	L429 I433 C468 L469 D470 D474 C475 A485 R530	L429-L472 HydrophobicContact CD2-CD1 4.3Å; I433-L472 HydrophobicContact CB-CD2 3.94Å; I433-L472 HydrophobicContact CD1-CD1 3.39Å; I433-L472 HydrophobicContact CD1-CD2 3.49Å; I433-L472 VanDerWaalsContact CD1-CD2 3.49Å; I433-L472 HydrophobicContact CD1-CG 4.06Å; I433-L472 HydrophobicContact CG1-CD2 4.3Å; I433-L472 HydrophobicContact CG2-CD2 3.81Å; C468-L472 VanDerWaalsContact O-CG 3.31Å; C468-L472 WeakPolarHBondContact O-CG 3.12Å; C468-L472 PolarHBondContact O-N 3.42Å; C468-L472 VanDerWaalsContact O-N 3.1Å; L469-L472 HydrophobicContact CD2-CD1 4.2Å; L469-L472 PolarHBondContact O-N 3.13Å; D470-L472 PolarHBondContact O-N 3.42Å; L472-D474 PolarHBondContact O-N 3.22Å; L472-C475 HydrophobicContact CD2-CB 4.35Å; L472-C475 WeakPolarHBondContact O-CB 3.22Å; L472-C475 PolarHBondContact O-N 3.13Å; L472-A485 HydrophobicContact CD1-CB 4.22Å; L472-R530 VanDerWaalsContact CB-CZ 3.45Å; L472-R530 VanDerWaalsContact CB-NH2 3.26Å; L472-R530 PolarHBondContact O-NE 3.09Å; L472-R530 PolarHBondContact O-NH2 2.65Å
473	N	49.7	Very low	53.5	Low	59 Å²	59	38.5 Å²	38.5	32%	0.316	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25	-177.3	-79.7	-26.4	0	0	0	112.2	L469 D470 C471 R530	L469-N473 PolarHBondContact O-N 3.17Å; D470-N473 VanDerWaalsContact O-CB 3.28Å; D470-N473 WeakPolarHBondContact O-CB 3.03Å; D470-N473 PolarHBondContact O-N 3.16Å; C471-N473 PolarHBondContact O-N 3.09Å; N473-R530 VanDerWaalsContact CA-NH2 3.27Å; N473-R530 PolarHBondContact OD1-NH2 3.25Å
474	D	52.1	Low	53.8	Low	155 Å²	155	33 Å²	33	83%	0.829	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-93.6	-4.1	176.2	-64.2	-33	0	0	0	113.3	L472	L472-D474 PolarHBondContact O-N 3.22Å
475	C	47.7	Very low	54.4	Low	24 Å²	24	32.1 Å²	32.1	16%	0.162	19%	0.188	C	C	.	.	S	Bend	trans	-92.3	149.6	-180	-64.1	0	0	0	0	110.7	N434 L472 P477	N434-C475 PolarHBondContact ND2-SG 2.97Å; N434-C475 VanDerWaalsContact OD1-CB 3.32Å; N434-C475 WeakPolarHBondContact OD1-CB 3.46Å; L472-C475 HydrophobicContact CD2-CB 4.35Å; L472-C475 WeakPolarHBondContact O-CB 3.22Å; L472-C475 PolarHBondContact O-N 3.13Å; C475-P477 WeakPolarHBondContact O-CD 3.26Å
476	T	52.9	Low	55.2	Low	115 Å²	115	32 Å²	32	71%	0.706	19%	0.188	S	C	*	.			trans	-102.2	63.7	177.1	33.8	0	0	0	0	111.4	R534	T476-R534 VanDerWaalsContact C-NH2 3.28Å; T476-R534 PolarHBondContact O-NH2 3.15Å; T476-R534 VanDerWaalsContact O-NH2 3.09Å
477	P	54.5	Low	55.9	Low	5 Å²	5	32.6 Å²	32.6	3%	0.032	19%	0.191	C	C	.	.			trans	-58.9	152.9	-171	26.3	-36.8	0	0	0	112.9	I433 C475 I482 R534	I433-P477 HydrophobicContact CG2-CB 3.68Å; C475-P477 WeakPolarHBondContact O-CD 3.26Å; P477-I482 HydrophobicContact CB-CG1 4.08Å; P477-I482 HydrophobicContact CG-CD1 4.27Å; P477-I482 HydrophobicContact CG-CG1 3.52Å; P477-R534 PolarHBondContact O-NH1 2.73Å
478	S	55.7	Low	56.4	Low	40 Å²	40	30 Å²	30	28%	0.28	18%	0.177	S	C	.	.			trans	-59.3	161.1	166.1	72.8	0	0	0	0	110.5	D480 G481 I482	S478-D480 PolarHBondContact O-N 3.34Å; S478-G481 WeakPolarHBondContact O-CA 3.46Å; S478-G481 PolarHBondContact O-N 3.2Å; S478-G481 PolarHBondContact OG-N 2.93Å; S478-G481 VanDerWaalsContact OG-N 3.12Å; S478-I482 WeakPolarHBondContact O-CG1 3.36Å; S478-I482 PolarHBondContact O-N 3.29Å
479	S	56.1	Low	57.3	Low	22 Å²	22	30.2 Å²	30.2	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-55.3	-38.2	175.6	37.3	0	0	0	0	113.1	I482 A483 Q541	S479-I482 PolarHBondContact O-N 2.97Å; S479-A483 PolarHBondContact O-N 2.74Å; S479-A483 VanDerWaalsContact O-N 3.17Å; S479-Q541 PolarHBondContact OG-NE2 2.83Å; S479-Q541 VanDerWaalsContact OG-NE2 3.09Å; S479-Q541 PolarHBondContact OG-OE1 2.88Å
480	D	56.7	Low	58.2	Low	44 Å²	44	32.1 Å²	32.1	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-37.8	173.1	-68	-24.6	0	0	0	111.8	F437 S441 S478 I482 A483 I484 Q541	F437-D480 HydrophobicContact CD1-CB 3.91Å; F437-D480 HydrophobicContact CE1-CB 4.09Å; F437-D480 WeakPolarHBondContact CE1-O 3.47Å; S441-D480 WeakPolarHBondContact CB-OD2 3.34Å; S441-D480 PolarHBondContact OG-OD2 3.4Å; S478-D480 PolarHBondContact O-N 3.34Å; D480-I482 VanDerWaalsContact C-N 3.28Å; D480-I482 PolarHBondContact O-N 3.06Å; D480-A483 PolarHBondContact O-N 3.17Å; D480-I484 PolarHBondContact O-N 3.24Å; D480-Q541 VanDerWaalsContact CG-NE2 3.32Å; D480-Q541 PolarHBondContact OD1-NE2 3.28Å; D480-Q541 PolarHBondContact OD2-NE2 3.12Å
481	G	56.8	Low	58.7	Low	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.7	-41.1	173.5	0	0	0	0	0	112.4	F437 S478 A485	F437-G481 VanDerWaalsContact CD1-CA 3.41Å; S478-G481 WeakPolarHBondContact O-CA 3.46Å; S478-G481 PolarHBondContact O-N 3.2Å; S478-G481 PolarHBondContact OG-N 2.93Å; S478-G481 VanDerWaalsContact OG-N 3.12Å; G481-A485 WeakPolarHBondContact O-CB 3.28Å; G481-A485 PolarHBondContact O-N 2.92Å
482	I	61.5	Low	59.6	Low	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.6	-42	176.7	-57.8	162.1	0	0	0	110.8	P477 S478 S479 D480 I484 A485 L486 R530 T531 L545	P477-I482 HydrophobicContact CB-CG1 4.08Å; P477-I482 HydrophobicContact CG-CD1 4.27Å; P477-I482 HydrophobicContact CG-CG1 3.52Å; S478-I482 WeakPolarHBondContact O-CG1 3.36Å; S478-I482 PolarHBondContact O-N 3.29Å; S479-I482 PolarHBondContact O-N 2.97Å; D480-I482 VanDerWaalsContact C-N 3.28Å; D480-I482 PolarHBondContact O-N 3.06Å; I482-I484 PolarHBondContact O-N 2.6Å; I482-A485 PolarHBondContact O-N 3.07Å; I482-L486 HydrophobicContact CG2-CD1 4.19Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CB 3.34Å; I482-L486 WeakPolarHBondContact O-CG 3.48Å; I482-L486 PolarHBondContact O-N 3.27Å; I482-R530 HydrophobicContact CD1-CB 4.11Å; I482-R530 WeakPolarHBondContact CD1-O 3.48Å; I482-R530 HydrophobicContact CG1-CB 4.04Å; I482-R530 HydrophobicContact CG2-CB 3.84Å; I482-T531 HydrophobicContact CG2-CG2 3.44Å; I482-T531 VanDerWaalsContact CG2-CG2 3.44Å; I482-L545 HydrophobicContact CB-CD2 4.03Å; I482-L545 HydrophobicContact CG2-CD2 3.78Å
483	A	60.9	Low	60.7	Low	11 Å²	11	27.2 Å²	27.2	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-43.9	179	0	0	0	0	0	112.2	S479 D480 L486 T487 T544 L545	S479-A483 PolarHBondContact O-N 2.74Å; S479-A483 VanDerWaalsContact O-N 3.17Å; D480-A483 PolarHBondContact O-N 3.17Å; A483-L486 PolarHBondContact O-N 3.25Å; A483-T487 PolarHBondContact O-N 3.46Å; A483-T487 PolarHBondContact O-OG1 3.07Å; A483-T544 HydrophobicContact CB-CG2 4.17Å; A483-L545 HydrophobicContact CB-CD2 3.77Å
484	I	61.4	Low	61.9	Low	11 Å²	11	27.4 Å²	27.4	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-69.1	-42.5	177.6	-81.4	153.6	0	0	0	111.3	F437 S441 L444 V448 D480 I482 L486 T487 L488	F437-I484 HydrophobicContact CE1-CB 4.13Å; F437-I484 HydrophobicContact CE1-CD1 3.34Å; F437-I484 HydrophobicContact CE1-CG1 4.26Å; F437-I484 HydrophobicContact CZ-CB 3.71Å; F437-I484 HydrophobicContact CZ-CD1 3.45Å; F437-I484 VanDerWaalsContact CZ-CD1 3.45Å; F437-I484 HydrophobicContact CZ-CG1 4.14Å; F437-I484 HydrophobicContact CZ-CG2 3.8Å; S441-I484 WeakPolarHBondContact O-CD1 3.39Å; L444-I484 HydrophobicContact CB-CD1 3.37Å; L444-I484 HydrophobicContact CB-CG1 4.26Å; L444-I484 HydrophobicContact CB-CG2 4.43Å; L444-I484 HydrophobicContact CD2-CG2 4.14Å; L444-I484 HydrophobicContact CG-CD1 4.5Å; V448-I484 HydrophobicContact CG2-CG2 4.07Å; D480-I484 PolarHBondContact O-N 3.24Å; I482-I484 PolarHBondContact O-N 2.6Å; I484-L486 VanDerWaalsContact C-N 3.3Å; I484-L486 PolarHBondContact O-N 2.77Å; I484-T487 WeakPolarHBondContact O-CB 3.5Å; I484-T487 PolarHBondContact O-N 3.44Å; I484-L488 HydrophobicContact CG2-CD1 4.17Å; I484-L488 HydrophobicContact CG2-CG 4.46Å; I484-L488 WeakPolarHBondContact O-CG 3.36Å; I484-L488 PolarHBondContact O-N 3.38Å
485	A	62.7	Low	62.7	Low	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-33.5	178.5	0	0	0	0	0	111.9	L469 L472 G481 I482 Y489 F526	L469-A485 HydrophobicContact CD2-CB 4.09Å; L469-A485 WeakPolarHBondContact CD2-O 3.25Å; L472-A485 HydrophobicContact CD1-CB 4.22Å; G481-A485 WeakPolarHBondContact O-CB 3.28Å; G481-A485 PolarHBondContact O-N 2.92Å; I482-A485 PolarHBondContact O-N 3.07Å; A485-Y489 WeakPolarHBondContact O-CB 3.47Å; A485-Y489 PolarHBondContact O-N 2.77Å; A485-F526 HydrophobicContact CB-CE1 4.29Å; A485-F526 HydrophobicContact CB-CE2 4.49Å; A485-F526 HydrophobicContact CB-CZ 3.53Å
486	L	66.1	Low	64	Low	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-39	168.2	-78.7	170.8	0	0	0	112.7	I482 A483 I484 Y489 Y490 F526 A527 T531 L545 Q548 I552	I482-L486 HydrophobicContact CG2-CD1 4.19Å; I482-L486 HydrophobicContact CG2-CG 4.43Å; I482-L486 WeakPolarHBondContact O-CB 3.34Å; I482-L486 WeakPolarHBondContact O-CG 3.48Å; I482-L486 PolarHBondContact O-N 3.27Å; A483-L486 PolarHBondContact O-N 3.25Å; I484-L486 VanDerWaalsContact C-N 3.3Å; I484-L486 PolarHBondContact O-N 2.77Å; L486-Y489 PolarHBondContact O-N 3.15Å; L486-Y490 WeakPolarHBondContact O-CB 3.16Å; L486-Y490 PolarHBondContact O-N 3.28Å; L486-F526 HydrophobicContact CB-CE1 4.35Å; L486-F526 HydrophobicContact CD2-CD1 3.51Å; L486-F526 HydrophobicContact CD2-CE1 3.62Å; L486-F526 HydrophobicContact CG-CD1 4.18Å; L486-F526 HydrophobicContact CG-CE1 3.77Å; L486-A527 HydrophobicContact CD2-CB 4.4Å; L486-T531 HydrophobicContact CD1-CG2 3.62Å; L486-L545 HydrophobicContact CD1-CB 4.49Å; L486-L545 HydrophobicContact CD1-CD2 3.77Å; L486-Q548 HydrophobicContact CB-CB 3.74Å; L486-Q548 HydrophobicContact CB-CG 4.26Å; L486-Q548 HydrophobicContact CD1-CB 4.21Å; L486-I552 HydrophobicContact CD2-CD1 3.81Å
487	T	67.2	Low	65.2	Low	17 Å²	17	17.6 Å²	17.6	10%	0.104	9%	0.091	C	C	.	.	H	α-helix	trans	-68.1	-41	178.5	-47.1	0	0	0	0	111	V448 A483 I484 Y489 Y490 I491 Q548	V448-T487 HydrophobicContact CG1-CG2 3.2Å; A483-T487 PolarHBondContact O-N 3.46Å; A483-T487 PolarHBondContact O-OG1 3.07Å; I484-T487 WeakPolarHBondContact O-CB 3.5Å; I484-T487 PolarHBondContact O-N 3.44Å; T487-Y489 VanDerWaalsContact C-N 3.34Å; T487-Y490 WeakPolarHBondContact O-CB 3.16Å; T487-Y490 PolarHBondContact O-N 2.72Å; T487-I491 WeakPolarHBondContact O-CG1 3.27Å; T487-I491 PolarHBondContact O-N 2.91Å; T487-Q548 PolarHBondContact OG1-OE1 3.04Å
488	L	64.3	Low	66.3	Low	10 Å²	10	19.8 Å²	19.8	5%	0.052	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-42.5	172.7	-72	173.1	0	0	0	111.3	L429 V448 L451 V465 I484 I491 C492	L429-L488 HydrophobicContact CD1-CD1 4.06Å; L429-L488 HydrophobicContact CD2-CD1 4.16Å; V448-L488 HydrophobicContact CG2-CD2 4.03Å; V448-L488 HydrophobicContact CG2-CG 4.28Å; L451-L488 HydrophobicContact CD1-CD2 4.05Å; V465-L488 HydrophobicContact CG1-CB 4.35Å; I484-L488 HydrophobicContact CG2-CD1 4.17Å; I484-L488 HydrophobicContact CG2-CG 4.46Å; I484-L488 WeakPolarHBondContact O-CG 3.36Å; I484-L488 PolarHBondContact O-N 3.38Å; L488-I491 PolarHBondContact O-N 3.2Å; L488-C492 PolarHBondContact O-N 3.44Å; L488-C492 VanDerWaalsContact O-N 3.11Å; L488-C492 PolarHBondContact O-SG 3.48Å
489	Y	69.2	Low	67.2	Low	4 Å²	4	21.9 Å²	21.9	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-44.8	174.5	-177.8	-105.1	0	0	0	111.9	L469 A485 L486 T487 I491 C492 L493 T519 A523 I552	L469-Y489 HydrophobicContact CD1-CD2 3.37Å; L469-Y489 HydrophobicContact CD1-CE2 4.43Å; L469-Y489 HydrophobicContact CD1-CG 3.96Å; A485-Y489 WeakPolarHBondContact O-CB 3.47Å; A485-Y489 PolarHBondContact O-N 2.77Å; L486-Y489 PolarHBondContact O-N 3.15Å; T487-Y489 VanDerWaalsContact C-N 3.34Å; Y489-I491 PolarHBondContact O-N 3.15Å; Y489-C492 PolarHBondContact O-N 3.42Å; Y489-L493 HydrophobicContact CE1-CD2 4.04Å; Y489-L493 VanDerWaalsContact O-CB 3.28Å; Y489-L493 WeakPolarHBondContact O-CB 3.49Å; Y489-L493 PolarHBondContact O-N 2.9Å; Y489-T519 PolarHBondContact OH-O 3.26Å; Y489-A523 HydrophobicContact CE1-CB 3.58Å; Y489-A523 WeakPolarHBondContact OH-CA 3.28Å; Y489-A523 VanDerWaalsContact OH-CB 3.26Å; Y489-A523 WeakPolarHBondContact OH-CB 3.45Å; Y489-A523 PolarHBondContact OH-N 3.09Å; Y489-A523 VanDerWaalsContact OH-N 3.13Å; Y489-I552 HydrophobicContact CD1-CD1 3.66Å; Y489-I552 HydrophobicContact CD1-CG1 3.99Å; Y489-I552 HydrophobicContact CD1-CG2 4.45Å; Y489-I552 HydrophobicContact CE1-CD1 4.27Å; Y489-I552 HydrophobicContact CE1-CG1 4.38Å; Y489-I552 HydrophobicContact CE1-CG2 4.02Å
490	Y	72.2	Confident	68.4	Low	45 Å²	45	22 Å²	22	18%	0.176	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-46.9	175.7	169.1	-105.7	0	0	0	112.5	L486 T487 C492 L493 H494 L551 I552 C555	L486-Y490 WeakPolarHBondContact O-CB 3.16Å; L486-Y490 PolarHBondContact O-N 3.28Å; T487-Y490 WeakPolarHBondContact O-CB 3.16Å; T487-Y490 PolarHBondContact O-N 2.72Å; Y490-C492 VanDerWaalsContact C-N 3.28Å; Y490-C492 PolarHBondContact O-N 3.07Å; Y490-L493 PolarHBondContact O-N 3.25Å; Y490-H494 WeakPolarHBondContact O-CB 3.44Å; Y490-H494 PolarHBondContact O-N 3.46Å; Y490-L551 HydrophobicContact CD2-CB 3.67Å; Y490-L551 HydrophobicContact CE1-CD1 4.45Å; Y490-L551 HydrophobicContact CE2-CB 3.61Å; Y490-L551 VanDerWaalsContact CE2-O 3.3Å; Y490-L551 WeakPolarHBondContact CE2-O 3.17Å; Y490-L551 HydrophobicContact CG-CB 4.15Å; Y490-I552 HydrophobicContact CD2-CG1 4.31Å; Y490-C555 HydrophobicContact CD2-CB 4.47Å; Y490-C555 HydrophobicContact CE2-CB 3.99Å
491	I	67	Low	69.5	Low	3 Å²	3	22.3 Å²	22.3	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-56.2	-45.6	176.8	-71.1	165.4	0	0	0	110.7	V448 L451 N452 I457 T487 L488 Y489 H494 R495	V448-I491 HydrophobicContact CG1-CD1 3.91Å; L451-I491 HydrophobicContact CB-CD1 4.15Å; N452-I491 WeakPolarHBondContact OD1-CG1 3.47Å; I457-I491 HydrophobicContact CD1-CG2 4.38Å; I457-I491 HydrophobicContact CG1-CG2 4.18Å; I457-I491 HydrophobicContact CG2-CG2 4.23Å; T487-I491 WeakPolarHBondContact O-CG1 3.27Å; T487-I491 PolarHBondContact O-N 2.91Å; L488-I491 PolarHBondContact O-N 3.2Å; Y489-I491 PolarHBondContact O-N 3.15Å; I491-H494 PolarHBondContact O-N 3.33Å; I491-R495 PolarHBondContact O-N 3.44Å
492	C	66.5	Low	70.6	Confident	4 Å²	4	24 Å²	24	3%	0.027	12%	0.12	C	C	.	.	H	α-helix	trans	-70.5	-41.5	-177.3	-64.3	0	0	0	0	111.7	F462 V465 L488 Y489 Y490 H494 R495 K496	F462-C492 HydrophobicContact CD2-CB 3.96Å; F462-C492 VanDerWaalsContact CD2-O 3.25Å; F462-C492 WeakPolarHBondContact CD2-O 3.36Å; F462-C492 HydrophobicContact CE2-CB 4.27Å; V465-C492 HydrophobicContact CB-CB 4.21Å; V465-C492 WeakPolarHBondContact CB-SG 3.3Å; V465-C492 HydrophobicContact CG1-CB 4.36Å; V465-C492 WeakPolarHBondContact CG1-SG 3.31Å; V465-C492 WeakPolarHBondContact CG2-SG 3.48Å; L488-C492 PolarHBondContact O-N 3.44Å; L488-C492 VanDerWaalsContact O-N 3.11Å; L488-C492 PolarHBondContact O-SG 3.48Å; Y489-C492 PolarHBondContact O-N 3.42Å; Y490-C492 VanDerWaalsContact C-N 3.28Å; Y490-C492 PolarHBondContact O-N 3.07Å; C492-H494 VanDerWaalsContact C-N 3.32Å; C492-H494 PolarHBondContact O-N 2.94Å; C492-R495 WeakPolarHBondContact O-CB 3.23Å; C492-R495 PolarHBondContact O-N 3.42Å; C492-K496 PolarHBondContact O-N 3.03Å
493	L	73.6	Confident	71.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-43.9	174.6	-175	64	0	0	0	111.5	Y489 Y490 R495 K496 V497 T519 I552 L556	Y489-L493 HydrophobicContact CE1-CD2 4.04Å; Y489-L493 VanDerWaalsContact O-CB 3.28Å; Y489-L493 WeakPolarHBondContact O-CB 3.49Å; Y489-L493 PolarHBondContact O-N 2.9Å; Y490-L493 PolarHBondContact O-N 3.25Å; L493-R495 VanDerWaalsContact C-N 3.34Å; L493-R495 PolarHBondContact O-N 2.85Å; L493-K496 PolarHBondContact O-N 3.29Å; L493-V497 WeakPolarHBondContact O-CB 3.47Å; L493-V497 WeakPolarHBondContact O-CG2 3.14Å; L493-V497 PolarHBondContact O-N 2.88Å; L493-T519 HydrophobicContact CD1-CG2 3.43Å; L493-T519 VanDerWaalsContact CD1-CG2 3.43Å; L493-I552 HydrophobicContact CD2-CB 4.26Å; L493-I552 HydrophobicContact CD2-CG1 4.43Å; L493-I552 HydrophobicContact CD2-CG2 3.67Å; L493-L556 HydrophobicContact CD1-CD1 4.36Å; L493-L556 HydrophobicContact CD1-CD2 3.88Å; L493-L556 HydrophobicContact CD1-CG 4.12Å; L493-L556 HydrophobicContact CD2-CD1 3.89Å; L493-L556 HydrophobicContact CD2-CG 3.85Å; L493-L556 HydrophobicContact CG-CD2 4.46Å; L493-L556 HydrophobicContact CG-CG 4.27Å
494	H	74.6	Confident	72.5	Confident	62 Å²	62	26.4 Å²	26.4	29%	0.287	13%	0.134	S	C	.	.	H	α-helix	trans	-58.4	-46.5	174.4	-166.1	-69.1	0	0	0	111.2	Y490 I491 C492 K496 V497 D498	Y490-H494 WeakPolarHBondContact O-CB 3.44Å; Y490-H494 PolarHBondContact O-N 3.46Å; I491-H494 PolarHBondContact O-N 3.33Å; C492-H494 VanDerWaalsContact C-N 3.32Å; C492-H494 PolarHBondContact O-N 2.94Å; H494-K496 PolarHBondContact O-N 3.45Å; H494-V497 WeakPolarHBondContact O-CB 3.2Å; H494-V497 PolarHBondContact O-N 2.85Å; H494-D498 IonicContact CE1-OD1 3.86Å; H494-D498 IonicContact CE1-OD2 3.61Å; H494-D498 PolarHBondContact CE1-OD2 3.37Å; H494-D498 VanDerWaalsContact CE1-OD2 3.24Å; H494-D498 IonicContact ND1-OD1 2.65Å; H494-D498 IonicContact ND1-OD2 2.64Å; H494-D498 PolarHBondContact ND1-OD2 2.92Å; H494-D498 VanDerWaalsContact O-CG 3.27Å; H494-D498 PolarHBondContact O-N 3.35Å
495	R	69.7	Low	73.4	Confident	52 Å²	52	33.9 Å²	33.9	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-43	175.9	-178.9	52.1	174.4	-174.3	-10.1	112.5	I457 D458 I491 C492 L493 V497 D498 L499	I457-R495 HydrophobicContact CG2-CB 3.82Å; I457-R495 HydrophobicContact CG2-CG 4.19Å; D458-R495 IonicContact OD1-CZ 3.49Å; D458-R495 IonicContact OD1-NE 2.96Å; D458-R495 IonicContact OD1-NH1 3.73Å; D458-R495 PolarHBondContact OD1-NH1 3.48Å; D458-R495 IonicContact OD1-NH2 2.68Å; D458-R495 PolarHBondContact OD1-NH2 3.27Å; I491-R495 PolarHBondContact O-N 3.44Å; C492-R495 WeakPolarHBondContact O-CB 3.23Å; C492-R495 PolarHBondContact O-N 3.42Å; L493-R495 VanDerWaalsContact C-N 3.34Å; L493-R495 PolarHBondContact O-N 2.85Å; R495-V497 VanDerWaalsContact C-N 3.33Å; R495-V497 PolarHBondContact O-N 3.17Å; R495-D498 PolarHBondContact O-N 3.4Å; R495-L499 HydrophobicContact CG-CD1 4.26Å; R495-L499 VanDerWaalsContact O-CG 3.31Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.46Å
496	K	74.1	Confident	74.3	Confident	33 Å²	33	42.3 Å²	42.3	14%	0.143	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-44.5	176.6	-170.3	-175.9	-154.3	178.3	0	111.5	F462 C492 L493 H494 D498 L499 W500 T519	F462-K496 HydrophobicContact CD1-CD 3.87Å; F462-K496 HydrophobicContact CD1-CG 4.28Å; F462-K496 HydrophobicContact CD2-CB 3.57Å; F462-K496 HydrophobicContact CD2-CD 4.08Å; F462-K496 HydrophobicContact CD2-CG 4.19Å; F462-K496 HydrophobicContact CE1-CD 3.5Å; F462-K496 VanDerWaalsContact CE1-CE 3.42Å; F462-K496 HydrophobicContact CE1-CG 4.38Å; F462-K496 VanDerWaalsContact CE1-NZ 3.29Å; F462-K496 HydrophobicContact CE2-CB 3.77Å; F462-K496 HydrophobicContact CE2-CD 3.7Å; F462-K496 HydrophobicContact CE2-CG 4.25Å; F462-K496 HydrophobicContact CG-CB 3.96Å; F462-K496 HydrophobicContact CG-CD 4.16Å; F462-K496 HydrophobicContact CG-CG 4.19Å; F462-K496 HydrophobicContact CZ-CB 4.37Å; F462-K496 HydrophobicContact CZ-CD 3.4Å; F462-K496 VanDerWaalsContact CZ-CD 3.4Å; F462-K496 HydrophobicContact CZ-CG 4.36Å; C492-K496 PolarHBondContact O-N 3.03Å; L493-K496 PolarHBondContact O-N 3.29Å; H494-K496 PolarHBondContact O-N 3.45Å; K496-D498 VanDerWaalsContact C-N 3.35Å; K496-L499 PolarHBondContact O-N 3.38Å; K496-W500 HydrophobicContact CD-CD2 4.48Å; K496-W500 HydrophobicContact CD-CH2 3.6Å; K496-W500 HydrophobicContact CD-CZ2 3.52Å; K496-W500 HydrophobicContact CD-CZ3 4.12Å; K496-W500 HydrophobicContact CG-CD2 4.02Å; K496-W500 HydrophobicContact CG-CE3 4.26Å; K496-W500 HydrophobicContact CG-CH2 4.17Å; K496-W500 HydrophobicContact CG-CZ2 3.93Å; K496-W500 HydrophobicContact CG-CZ3 4.31Å; K496-W500 PolarHBondContact O-N 2.78Å; K496-T519 HydrophobicContact CD-CG2 4.41Å; K496-T519 PolarHBondContact NZ-OG1 3.33Å
497	V	78.3	Confident	74.9	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-44.8	175.2	161.3	0	0	0	0	111.1	L493 H494 R495 L499 W500 K501 F559	L493-V497 WeakPolarHBondContact O-CB 3.47Å; L493-V497 WeakPolarHBondContact O-CG2 3.14Å; L493-V497 PolarHBondContact O-N 2.88Å; H494-V497 WeakPolarHBondContact O-CB 3.2Å; H494-V497 PolarHBondContact O-N 2.85Å; R495-V497 VanDerWaalsContact C-N 3.33Å; R495-V497 PolarHBondContact O-N 3.17Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 2.84Å; V497-W500 HydrophobicContact CG2-CE3 4.19Å; V497-W500 HydrophobicContact CG2-CZ3 4.37Å; V497-W500 PolarHBondContact O-N 3.05Å; V497-K501 HydrophobicContact CG1-CD 4.42Å; V497-K501 WeakPolarHBondContact O-CG 3.3Å; V497-K501 PolarHBondContact O-N 2.98Å; V497-F559 HydrophobicContact CB-CB 4.48Å; V497-F559 HydrophobicContact CB-CD2 4.39Å; V497-F559 HydrophobicContact CB-CG 4.49Å; V497-F559 HydrophobicContact CG1-CB 3.71Å; V497-F559 HydrophobicContact CG1-CD2 3.7Å; V497-F559 HydrophobicContact CG1-CG 3.94Å; V497-F559 HydrophobicContact CG2-CB 3.96Å; V497-F559 HydrophobicContact CG2-CD1 4.5Å; V497-F559 HydrophobicContact CG2-CD2 4.37Å; V497-F559 HydrophobicContact CG2-CG 4.01Å
498	D	77.3	Confident	75.2	Confident	50 Å²	50	51.2 Å²	51.2	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-40.6	176.5	-67.2	-30	0	0	0	112.1	H494 R495 K496 K501 A502	H494-D498 IonicContact CE1-OD1 3.86Å; H494-D498 IonicContact CE1-OD2 3.61Å; H494-D498 PolarHBondContact CE1-OD2 3.37Å; H494-D498 VanDerWaalsContact CE1-OD2 3.24Å; H494-D498 IonicContact ND1-OD1 2.65Å; H494-D498 IonicContact ND1-OD2 2.64Å; H494-D498 PolarHBondContact ND1-OD2 2.92Å; H494-D498 VanDerWaalsContact O-CG 3.27Å; H494-D498 PolarHBondContact O-N 3.35Å; R495-D498 PolarHBondContact O-N 3.4Å; K496-D498 VanDerWaalsContact C-N 3.35Å; D498-K501 PolarHBondContact O-N 2.95Å; D498-A502 WeakPolarHBondContact O-CB 3.24Å; D498-A502 PolarHBondContact O-N 3.41Å
499	L	75.3	Confident	75.8	Confident	84 Å²	84	54.4 Å²	54.4	44%	0.44	28%	0.281	S	S	.	.	H	α-helix	trans	-65	-41.4	175.2	-71.5	172.1	0	0	0	111.8	R495 K496 V497 A502 A503	R495-L499 HydrophobicContact CG-CD1 4.26Å; R495-L499 VanDerWaalsContact O-CG 3.31Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.46Å; K496-L499 PolarHBondContact O-N 3.38Å; V497-L499 VanDerWaalsContact C-N 3.35Å; V497-L499 PolarHBondContact O-N 2.84Å; L499-A502 PolarHBondContact O-N 2.83Å; L499-A503 VanDerWaalsContact O-CB 3.32Å; L499-A503 WeakPolarHBondContact O-CB 3.11Å; L499-A503 PolarHBondContact O-N 2.81Å
500	W	81	Confident	75.9	Confident	24 Å²	24	58.2 Å²	58.2	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-43.6	173.6	-73.2	-29.7	0	0	0	111.9	K496 V497 A502 A503 M504 P511 E515 L516 T519 F559	K496-W500 HydrophobicContact CD-CD2 4.48Å; K496-W500 HydrophobicContact CD-CH2 3.6Å; K496-W500 HydrophobicContact CD-CZ2 3.52Å; K496-W500 HydrophobicContact CD-CZ3 4.12Å; K496-W500 HydrophobicContact CG-CD2 4.02Å; K496-W500 HydrophobicContact CG-CE3 4.26Å; K496-W500 HydrophobicContact CG-CH2 4.17Å; K496-W500 HydrophobicContact CG-CZ2 3.93Å; K496-W500 HydrophobicContact CG-CZ3 4.31Å; K496-W500 PolarHBondContact O-N 2.78Å; V497-W500 HydrophobicContact CG2-CE3 4.19Å; V497-W500 HydrophobicContact CG2-CZ3 4.37Å; V497-W500 PolarHBondContact O-N 3.05Å; W500-A502 PolarHBondContact O-N 3.09Å; W500-A503 PolarHBondContact O-N 2.89Å; W500-M504 WeakPolarHBondContact O-CB 3.11Å; W500-M504 VanDerWaalsContact O-CG 3.28Å; W500-M504 WeakPolarHBondContact O-CG 3Å; W500-M504 PolarHBondContact O-N 2.95Å; W500-P511 HydrophobicContact CD2-CB 4.06Å; W500-P511 HydrophobicContact CD2-CG 4.02Å; W500-P511 HydrophobicContact CE3-CG 4.43Å; W500-P511 HydrophobicContact CG-CB 4.28Å; W500-P511 HydrophobicContact CG-CG 4.16Å; W500-P511 HydrophobicContact CZ2-CB 3.85Å; W500-P511 HydrophobicContact CZ2-CG 4.46Å; W500-E515 HydrophobicContact CZ2-CB 4.46Å; W500-L516 HydrophobicContact CE3-CD2 4.42Å; W500-L516 HydrophobicContact CH2-CD2 3.6Å; W500-L516 HydrophobicContact CZ2-CD2 4.26Å; W500-L516 HydrophobicContact CZ3-CD2 3.71Å; W500-T519 HydrophobicContact CH2-CG2 4.31Å; W500-F559 HydrophobicContact CB-CE2 3.54Å; W500-F559 HydrophobicContact CB-CZ 3.59Å; W500-F559 HydrophobicContact CD2-CE1 4.33Å; W500-F559 AromaticContact CD2-CZ 3.96Å; W500-F559 HydrophobicContact CD2-CZ 3.96Å; W500-F559 HydrophobicContact CE3-CD1 4.06Å; W500-F559 AromaticContact CE3-CE1 3.51Å; W500-F559 HydrophobicContact CE3-CE1 3.51Å; W500-F559 HydrophobicContact CE3-CE2 4.07Å; W500-F559 AromaticContact CE3-CZ 3.5Å; W500-F559 HydrophobicContact CE3-CZ 3.5Å; W500-F559 VanDerWaalsContact CE3-CZ 3.5Å; W500-F559 HydrophobicContact CG-CE2 4.43Å; W500-F559 HydrophobicContact CG-CZ 4.08Å; W500-F559 HydrophobicContact CZ3-CD1 4.29Å; W500-F559 AromaticContact CZ3-CE1 3.92Å; W500-F559 HydrophobicContact CZ3-CE1 3.92Å; W500-F559 HydrophobicContact CZ3-CZ 4.36Å
501	K	80.7	Confident	76	Confident	52 Å²	52	56.4 Å²	56.4	23%	0.226	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-46.3	174.5	-71.1	-179.2	-171	-170.4	0	111.2	V497 D498 A503 M504 E505 F559 E562	V497-K501 HydrophobicContact CG1-CD 4.42Å; V497-K501 WeakPolarHBondContact O-CG 3.3Å; V497-K501 PolarHBondContact O-N 2.98Å; D498-K501 PolarHBondContact O-N 2.95Å; K501-A503 PolarHBondContact O-N 2.84Å; K501-M504 PolarHBondContact O-N 3.02Å; K501-E505 WeakPolarHBondContact O-CB 3.48Å; K501-E505 WeakPolarHBondContact O-CG 3.45Å; K501-E505 PolarHBondContact O-N 3.48Å; K501-F559 HydrophobicContact CG-CD2 4.02Å; K501-F559 HydrophobicContact CG-CE2 4.15Å; K501-E562 WeakPolarHBondContact CE-OE2 3.39Å; K501-E562 IonicContact NZ-OE1 3.53Å; K501-E562 IonicContact NZ-OE2 2.61Å; K501-E562 PolarHBondContact NZ-OE2 2.96Å
502	A	79.6	Confident	76.4	Confident	34 Å²	34	59.6 Å²	59.6	28%	0.281	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-39.5	177.7	0	0	0	0	0	112.6	D498 L499 W500 E505 K506	D498-A502 WeakPolarHBondContact O-CB 3.24Å; D498-A502 PolarHBondContact O-N 3.41Å; L499-A502 PolarHBondContact O-N 2.83Å; W500-A502 PolarHBondContact O-N 3.09Å; A502-E505 PolarHBondContact O-N 3.43Å; A502-K506 VanDerWaalsContact O-CB 3.29Å; A502-K506 WeakPolarHBondContact O-CB 3.13Å; A502-K506 WeakPolarHBondContact O-CG 3.48Å; A502-K506 PolarHBondContact O-N 2.99Å
503	A	80.2	Confident	76.6	Confident	25 Å²	25	62.8 Å²	62.8	21%	0.207	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-39.5	175.9	0	0	0	0	0	111.9	L499 W500 K501 E507 G508 V509	L499-A503 VanDerWaalsContact O-CB 3.32Å; L499-A503 WeakPolarHBondContact O-CB 3.11Å; L499-A503 PolarHBondContact O-N 2.81Å; W500-A503 PolarHBondContact O-N 2.89Å; K501-A503 PolarHBondContact O-N 2.84Å; A503-E507 CarbonylContact O-C 3.6Å; A503-E507 WeakPolarHBondContact O-CA 3.33Å; A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 2.68Å; A503-G508 PolarHBondContact O-N 2.92Å; A503-G508 VanDerWaalsContact O-N 3.12Å; A503-V509 HydrophobicContact CB-CB 4.42Å; A503-V509 PolarHBondContact O-N 3.17Å
504	M	80.6	Confident	76.7	Confident	39 Å²	39	70.1 Å²	70.1	19%	0.192	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-43.9	173.2	-73.8	-177.8	-172.3	0	0	112	W500 K501 G508 V509 V510 P511 F559 T563	W500-M504 WeakPolarHBondContact O-CB 3.11Å; W500-M504 VanDerWaalsContact O-CG 3.28Å; W500-M504 WeakPolarHBondContact O-CG 3Å; W500-M504 PolarHBondContact O-N 2.95Å; K501-M504 PolarHBondContact O-N 3.02Å; M504-G508 WeakPolarHBondContact O-CA 3.5Å; M504-G508 PolarHBondContact O-N 2.96Å; M504-V509 WeakPolarHBondContact CG-O 3.43Å; M504-V509 PolarHBondContact N-O 3.45Å; M504-V510 HydrophobicContact CE-CB 4.27Å; M504-V510 HydrophobicContact CE-CG1 3.93Å; M504-V510 HydrophobicContact CE-CG2 4.32Å; M504-V510 HydrophobicContact CG-CG2 4.43Å; M504-P511 HydrophobicContact CE-CG 4.1Å; M504-F559 HydrophobicContact CE-CE2 4.03Å; M504-F559 HydrophobicContact CE-CZ 3.62Å; M504-T563 HydrophobicContact CE-CG2 3.58Å; M504-T563 HydrophobicContact SD-CG2 3.22Å; M504-T563 WeakPolarHBondContact SD-CG2 3.26Å
505	E	81.3	Confident	76.7	Confident	167 Å²	167	71.3 Å²	71.3	78%	0.78	38%	0.377	S	S	*	.	H	α-helix	trans	-69.3	-39.8	-179.6	-74.8	177.9	-179.2	0	0	112.9	K501 A502	K501-E505 WeakPolarHBondContact O-CB 3.48Å; K501-E505 WeakPolarHBondContact O-CG 3.45Å; K501-E505 PolarHBondContact O-N 3.48Å; A502-E505 PolarHBondContact O-N 3.43Å
506	K	81	Confident	76.9	Confident	178 Å²	178	68.9 Å²	68.9	77%	0.774	37%	0.368	S	S	*	.	H	α-helix	trans	-90.2	-40.2	-175.3	-70.1	-178.9	178.7	177.7	0	113.8	A502	A502-K506 VanDerWaalsContact O-CB 3.29Å; A502-K506 WeakPolarHBondContact O-CB 3.13Å; A502-K506 WeakPolarHBondContact O-CG 3.48Å; A502-K506 PolarHBondContact O-N 2.99Å
507	E	78.5	Confident	76.7	Confident	147 Å²	147	71.4 Å²	71.4	69%	0.687	38%	0.38	S	S	*	.	H	α-helix	trans	-118.8	-9.5	-166.6	-56.7	179.9	-178.3	0	0	112.5	A503 V509	A503-E507 CarbonylContact O-C 3.6Å; A503-E507 WeakPolarHBondContact O-CA 3.33Å; A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 2.68Å; E507-V509 HydrophobicContact CB-CB 4.41Å; E507-V509 HydrophobicContact CB-CG2 3.7Å; E507-V509 PolarHBondContact O-N 3.28Å
508	G	74.9	Confident	76.6	Confident	59 Å²	59	73.6 Å²	73.6	61%	0.608	40%	0.399	S	S	*	.			trans	67.3	16.3	-173.5	0	0	0	0	0	113.3	A503 M504	A503-G508 PolarHBondContact O-N 2.92Å; A503-G508 VanDerWaalsContact O-N 3.12Å; M504-G508 WeakPolarHBondContact O-CA 3.5Å; M504-G508 PolarHBondContact O-N 2.96Å
509	V	75.5	Confident	76.4	Confident	77 Å²	77	71.4 Å²	71.4	47%	0.467	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-84.8	119.8	-178	178.5	0	0	0	0	109.2	A503 M504 E507	A503-V509 HydrophobicContact CB-CB 4.42Å; A503-V509 PolarHBondContact O-N 3.17Å; M504-V509 WeakPolarHBondContact CG-O 3.43Å; M504-V509 PolarHBondContact N-O 3.45Å; E507-V509 HydrophobicContact CB-CB 4.41Å; E507-V509 HydrophobicContact CB-CG2 3.7Å; E507-V509 PolarHBondContact O-N 3.28Å
510	V	71.2	Confident	76.2	Confident	84 Å²	84	67.4 Å²	67.4	51%	0.509	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-99.1	138.4	175	-179.9	0	0	0	0	107.9	M504	M504-V510 HydrophobicContact CE-CB 4.27Å; M504-V510 HydrophobicContact CE-CG1 3.93Å; M504-V510 HydrophobicContact CE-CG2 4.32Å; M504-V510 HydrophobicContact CG-CG2 4.43Å
511	P	75.1	Confident	75.7	Confident	7 Å²	7	70.5 Å²	70.5	5%	0.045	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-60	146.7	175	25.2	-32.2	0	0	0	111.1	W500 M504 E515 L516 F559	W500-P511 HydrophobicContact CD2-CB 4.06Å; W500-P511 HydrophobicContact CD2-CG 4.02Å; W500-P511 HydrophobicContact CE3-CG 4.43Å; W500-P511 HydrophobicContact CG-CB 4.28Å; W500-P511 HydrophobicContact CG-CG 4.16Å; W500-P511 HydrophobicContact CZ2-CB 3.85Å; W500-P511 HydrophobicContact CZ2-CG 4.46Å; M504-P511 HydrophobicContact CE-CG 4.1Å; P511-E515 WeakPolarHBondContact CA-OE2 3.28Å; P511-L516 HydrophobicContact CB-CD1 4.44Å; P511-L516 HydrophobicContact CB-CD2 4.21Å; P511-L516 HydrophobicContact CB-CG 4.1Å; P511-L516 HydrophobicContact CG-CD1 4.05Å; P511-L516 HydrophobicContact CG-CD2 3.86Å; P511-L516 HydrophobicContact CG-CG 4.05Å; P511-F559 HydrophobicContact CG-CE1 4.11Å; P511-F559 HydrophobicContact CG-CZ 3.88Å
512	T	76.1	Confident	75.2	Confident	70 Å²	70	71.2 Å²	71.2	43%	0.429	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-72.1	158.6	179.9	69.2	0	0	0	0	111.1	E514 E515 L516	T512-E514 PolarHBondContact O-N 2.62Å; T512-E515 PolarHBondContact N-OE2 3.49Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.17Å; T512-E515 WeakPolarHBondContact OG1-CB 3.41Å; T512-E515 VanDerWaalsContact OG1-CG 3.26Å; T512-E515 WeakPolarHBondContact OG1-CG 3.39Å; T512-E515 PolarHBondContact OG1-N 3.48Å; T512-E515 VanDerWaalsContact OG1-N 3.12Å; T512-L516 WeakPolarHBondContact O-CG 2.89Å; T512-L516 PolarHBondContact O-N 3Å
513	V	69.6	Low	74.5	Confident	70 Å²	70	69.6 Å²	69.6	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-52.4	-46.8	172.6	-175	0	0	0	0	110.5	E515 L516 E517 I567	V513-E515 PolarHBondContact O-N 2.85Å; V513-L516 PolarHBondContact O-N 3.13Å; V513-E517 HydrophobicContact CG1-CG 4.2Å; V513-E517 WeakPolarHBondContact O-CB 3.33Å; V513-E517 WeakPolarHBondContact O-CG 3.45Å; V513-E517 PolarHBondContact O-N 2.89Å; V513-I567 HydrophobicContact CB-CD1 3.94Å; V513-I567 HydrophobicContact CB-CG1 4.36Å; V513-I567 HydrophobicContact CG1-CD1 4.32Å; V513-I567 HydrophobicContact CG1-CG1 4.24Å; V513-I567 HydrophobicContact CG1-CG2 4.23Å; V513-I567 HydrophobicContact CG2-CD1 3.42Å; V513-I567 VanDerWaalsContact CG2-CD1 3.42Å; V513-I567 HydrophobicContact CG2-CG1 3.8Å
514	E	76.1	Confident	73.9	Confident	154 Å²	154	73.1 Å²	73.1	72%	0.72	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-41.1	179.7	-63	176.7	179.5	0	0	112.1	T512 L516 A518	T512-E514 PolarHBondContact O-N 2.62Å; E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.01Å; E514-A518 WeakPolarHBondContact O-CB 3.49Å; E514-A518 PolarHBondContact O-N 3.22Å
515	E	75	Confident	73.1	Confident	88 Å²	88	73.3 Å²	73.3	41%	0.411	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-37.8	176.6	-78.2	174.7	173.8	0	0	112.3	W500 P511 T512 V513 T519	W500-E515 HydrophobicContact CZ2-CB 4.46Å; P511-E515 WeakPolarHBondContact CA-OE2 3.28Å; T512-E515 PolarHBondContact N-OE2 3.49Å; T512-E515 PolarHBondContact O-N 2.78Å; T512-E515 VanDerWaalsContact O-N 3.17Å; T512-E515 WeakPolarHBondContact OG1-CB 3.41Å; T512-E515 VanDerWaalsContact OG1-CG 3.26Å; T512-E515 WeakPolarHBondContact OG1-CG 3.39Å; T512-E515 PolarHBondContact OG1-N 3.48Å; T512-E515 VanDerWaalsContact OG1-N 3.12Å; V513-E515 PolarHBondContact O-N 2.85Å; E515-T519 WeakPolarHBondContact O-CB 3.28Å; E515-T519 PolarHBondContact O-N 3.49Å; E515-T519 VanDerWaalsContact O-N 3.15Å; E515-T519 PolarHBondContact O-OG1 2.94Å
516	L	72.7	Confident	72.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-71.9	-47.5	178	-69.4	166.9	0	0	0	111.2	W500 P511 T512 V513 E514 T519 V520 F559 F560 I567	W500-L516 HydrophobicContact CE3-CD2 4.42Å; W500-L516 HydrophobicContact CH2-CD2 3.6Å; W500-L516 HydrophobicContact CZ2-CD2 4.26Å; W500-L516 HydrophobicContact CZ3-CD2 3.71Å; P511-L516 HydrophobicContact CB-CD1 4.44Å; P511-L516 HydrophobicContact CB-CD2 4.21Å; P511-L516 HydrophobicContact CB-CG 4.1Å; P511-L516 HydrophobicContact CG-CD1 4.05Å; P511-L516 HydrophobicContact CG-CD2 3.86Å; P511-L516 HydrophobicContact CG-CG 4.05Å; T512-L516 WeakPolarHBondContact O-CG 2.89Å; T512-L516 PolarHBondContact O-N 3Å; V513-L516 PolarHBondContact O-N 3.13Å; E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 3.01Å; L516-T519 PolarHBondContact O-N 2.87Å; L516-V520 WeakPolarHBondContact O-CG2 3.44Å; L516-V520 PolarHBondContact O-N 3.3Å; L516-F559 HydrophobicContact CD2-CE1 3.93Å; L516-F560 HydrophobicContact CB-CE1 4.35Å; L516-F560 HydrophobicContact CB-CZ 4.37Å; L516-F560 HydrophobicContact CD1-CE1 3.91Å; L516-F560 HydrophobicContact CD2-CE1 3.66Å; L516-F560 HydrophobicContact CD2-CZ 3.86Å; L516-F560 HydrophobicContact CG-CE1 4.17Å; L516-I567 HydrophobicContact CB-CG2 4.29Å; L516-I567 HydrophobicContact CD1-CB 4.27Å; L516-I567 HydrophobicContact CD1-CD1 3.62Å; L516-I567 HydrophobicContact CD1-CG2 4.17Å
517	E	71.5	Confident	71.3	Confident	87 Å²	87	57.2 Å²	57.2	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-51.2	175.2	-74.2	-178.9	167	0	0	111.4	V513 T519 V520 D521 T571	V513-E517 HydrophobicContact CG1-CG 4.2Å; V513-E517 WeakPolarHBondContact O-CB 3.33Å; V513-E517 WeakPolarHBondContact O-CG 3.45Å; V513-E517 PolarHBondContact O-N 2.89Å; E517-T519 VanDerWaalsContact C-N 3.25Å; E517-T519 PolarHBondContact O-N 3.28Å; E517-V520 PolarHBondContact O-N 2.71Å; E517-D521 WeakPolarHBondContact O-CB 3.2Å; E517-D521 PolarHBondContact O-N 3.19Å; E517-T571 HydrophobicContact CB-CG2 4.41Å; E517-T571 HydrophobicContact CG-CG2 4.13Å
518	A	75.2	Confident	70.3	Confident	50 Å²	50	51.1 Å²	51.1	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-34.8	177.6	0	0	0	0	0	112.7	E514 K522	E514-A518 WeakPolarHBondContact O-CB 3.49Å; E514-A518 PolarHBondContact O-N 3.22Å; A518-K522 WeakPolarHBondContact O-CB 3.39Å; A518-K522 VanDerWaalsContact O-CG 3.27Å; A518-K522 WeakPolarHBondContact O-CG 3.47Å; A518-K522 PolarHBondContact O-N 3.24Å
519	T	73.7	Confident	69.3	Low	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-45.5	177.9	-58	0	0	0	0	111	Y489 L493 K496 W500 E515 L516 E517 K522 A523 L556	Y489-T519 PolarHBondContact OH-O 3.26Å; L493-T519 HydrophobicContact CD1-CG2 3.43Å; L493-T519 VanDerWaalsContact CD1-CG2 3.43Å; K496-T519 HydrophobicContact CD-CG2 4.41Å; K496-T519 PolarHBondContact NZ-OG1 3.33Å; W500-T519 HydrophobicContact CH2-CG2 4.31Å; E515-T519 WeakPolarHBondContact O-CB 3.28Å; E515-T519 PolarHBondContact O-N 3.49Å; E515-T519 VanDerWaalsContact O-N 3.15Å; E515-T519 PolarHBondContact O-OG1 2.94Å; L516-T519 PolarHBondContact O-N 2.87Å; E517-T519 VanDerWaalsContact C-N 3.25Å; E517-T519 PolarHBondContact O-N 3.28Å; T519-K522 PolarHBondContact O-N 3.45Å; T519-A523 PolarHBondContact O-N 3.1Å; T519-L556 HydrophobicContact CG2-CD2 4.44Å
520	V	70.9	Confident	68.4	Low	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-73.4	-37.8	-179.3	178.4	0	0	0	0	111.7	L516 E517 K522 A523 Y524 L556 F560 T571 L575	L516-V520 WeakPolarHBondContact O-CG2 3.44Å; L516-V520 PolarHBondContact O-N 3.3Å; E517-V520 PolarHBondContact O-N 2.71Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 2.84Å; V520-A523 WeakPolarHBondContact O-CB 3.35Å; V520-A523 PolarHBondContact O-N 3.43Å; V520-A523 VanDerWaalsContact O-N 3.1Å; V520-Y524 WeakPolarHBondContact O-CB 3.39Å; V520-Y524 PolarHBondContact O-N 3.19Å; V520-L556 HydrophobicContact CG2-CD1 4.23Å; V520-F560 HydrophobicContact CG2-CE2 4.42Å; V520-F560 HydrophobicContact CG2-CZ 4.39Å; V520-T571 HydrophobicContact CB-CG2 3.32Å; V520-T571 HydrophobicContact CG1-CG2 3.56Å; V520-T571 VanDerWaalsContact CG1-O 3.26Å; V520-T571 WeakPolarHBondContact CG1-O 3.4Å; V520-T571 HydrophobicContact CG2-CG2 3.67Å; V520-L575 HydrophobicContact CG1-CB 4.03Å; V520-L575 HydrophobicContact CG1-CD1 4.35Å
521	D	70.2	Confident	67.6	Low	88 Å²	88	45.9 Å²	45.9	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-39.1	174.2	-81	-10.1	0	0	0	111.2	E517 Y524 S525	E517-D521 WeakPolarHBondContact O-CB 3.2Å; E517-D521 PolarHBondContact O-N 3.19Å; D521-Y524 PolarHBondContact O-N 2.68Å; D521-S525 VanDerWaalsContact O-CB 3.23Å; D521-S525 WeakPolarHBondContact O-CB 3.27Å; D521-S525 PolarHBondContact O-N 3.15Å; D521-S525 PolarHBondContact O-OG 3.27Å
522	K	69.7	Low	66.4	Low	68 Å²	68	47.6 Å²	47.6	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-44.9	170.2	-76.1	-171.5	-177.6	-150.9	0	111.7	D470 A518 T519 V520 Y524 S525 F526	D470-K522 IonicContact OD1-NZ 3.85Å; D470-K522 IonicContact OD2-NZ 3.45Å; D470-K522 PolarHBondContact OD2-NZ 3.49Å; A518-K522 WeakPolarHBondContact O-CB 3.39Å; A518-K522 VanDerWaalsContact O-CG 3.27Å; A518-K522 WeakPolarHBondContact O-CG 3.47Å; A518-K522 PolarHBondContact O-N 3.24Å; T519-K522 PolarHBondContact O-N 3.45Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 2.84Å; K522-Y524 VanDerWaalsContact C-N 3.32Å; K522-Y524 PolarHBondContact O-N 2.71Å; K522-S525 WeakPolarHBondContact CA-OG 3.48Å; K522-S525 PolarHBondContact O-OG 3.37Å; K522-S525 VanDerWaalsContact O-OG 3.09Å; K522-F526 WeakPolarHBondContact O-CB 3.41Å; K522-F526 PolarHBondContact O-N 2.91Å
523	A	66.4	Low	65.2	Low	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-45.5	176	0	0	0	0	0	111.9	Y489 T519 V520 A527 I552 L575	Y489-A523 HydrophobicContact CE1-CB 3.58Å; Y489-A523 WeakPolarHBondContact OH-CA 3.28Å; Y489-A523 VanDerWaalsContact OH-CB 3.26Å; Y489-A523 WeakPolarHBondContact OH-CB 3.45Å; Y489-A523 PolarHBondContact OH-N 3.09Å; Y489-A523 VanDerWaalsContact OH-N 3.13Å; T519-A523 PolarHBondContact O-N 3.1Å; V520-A523 WeakPolarHBondContact O-CB 3.35Å; V520-A523 PolarHBondContact O-N 3.43Å; V520-A523 VanDerWaalsContact O-N 3.1Å; A523-A527 VanDerWaalsContact O-CB 3.27Å; A523-A527 WeakPolarHBondContact O-CB 3.4Å; A523-A527 PolarHBondContact O-N 2.73Å; A523-I552 HydrophobicContact CB-CG2 4.02Å; A523-L575 HydrophobicContact CB-CD1 3.67Å
524	Y	66	Low	64.6	Low	99 Å²	99	53.5 Å²	53.5	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-53.3	-178.9	177.7	-89	0	0	0	111.1	V520 D521 K522 F526 A527 A528 A578	V520-Y524 WeakPolarHBondContact O-CB 3.39Å; V520-Y524 PolarHBondContact O-N 3.19Å; D521-Y524 PolarHBondContact O-N 2.68Å; K522-Y524 VanDerWaalsContact C-N 3.32Å; K522-Y524 PolarHBondContact O-N 2.71Å; Y524-F526 VanDerWaalsContact C-N 3.32Å; Y524-F526 PolarHBondContact O-N 2.7Å; Y524-A527 PolarHBondContact O-N 3.43Å; Y524-A528 HydrophobicContact CD1-CB 4.39Å; Y524-A528 HydrophobicContact CE1-CB 4.1Å; Y524-A528 WeakPolarHBondContact O-CB 3.44Å; Y524-A528 PolarHBondContact O-N 3.42Å; Y524-A578 HydrophobicContact CD2-CB 3.9Å; Y524-A578 HydrophobicContact CE2-CB 3.67Å
525	S	64.6	Low	63.6	Low	42 Å²	42	57.8 Å²	57.8	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-45.9	179.4	54.8	0	0	0	0	111.1	D521 K522 A527 V529	D521-S525 VanDerWaalsContact O-CB 3.23Å; D521-S525 WeakPolarHBondContact O-CB 3.27Å; D521-S525 PolarHBondContact O-N 3.15Å; D521-S525 PolarHBondContact O-OG 3.27Å; K522-S525 WeakPolarHBondContact CA-OG 3.48Å; K522-S525 PolarHBondContact O-OG 3.37Å; K522-S525 VanDerWaalsContact O-OG 3.09Å; S525-A527 PolarHBondContact O-N 3.25Å; S525-V529 WeakPolarHBondContact O-CB 3.37Å; S525-V529 WeakPolarHBondContact O-CG2 3.45Å; S525-V529 PolarHBondContact O-N 3.44Å
526	F	62.7	Low	62.8	Low	7 Å²	7	60.7 Å²	60.7	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-44.6	-179.7	-170.6	-90.7	0	0	0	112.6	L469 A485 L486 K522 Y524 R530	L469-F526 HydrophobicContact CB-CD2 4.12Å; L469-F526 HydrophobicContact CB-CE2 3.82Å; L469-F526 HydrophobicContact CD2-CD2 4.25Å; L469-F526 HydrophobicContact CD2-CE1 4.36Å; L469-F526 HydrophobicContact CD2-CE2 3.31Å; L469-F526 HydrophobicContact CD2-CZ 3.41Å; L469-F526 VanDerWaalsContact CD2-CZ 3.41Å; L469-F526 HydrophobicContact CG-CE2 4.07Å; A485-F526 HydrophobicContact CB-CE1 4.29Å; A485-F526 HydrophobicContact CB-CE2 4.49Å; A485-F526 HydrophobicContact CB-CZ 3.53Å; L486-F526 HydrophobicContact CB-CE1 4.35Å; L486-F526 HydrophobicContact CD2-CD1 3.51Å; L486-F526 HydrophobicContact CD2-CE1 3.62Å; L486-F526 HydrophobicContact CG-CD1 4.18Å; L486-F526 HydrophobicContact CG-CE1 3.77Å; K522-F526 WeakPolarHBondContact O-CB 3.41Å; K522-F526 PolarHBondContact O-N 2.91Å; Y524-F526 VanDerWaalsContact C-N 3.32Å; Y524-F526 PolarHBondContact O-N 2.7Å; F526-R530 VanDerWaalsContact CE2-NH2 3.3Å
527	A	61.2	Low	62.3	Low	1 Å²	1	62 Å²	62	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-70.5	-54.8	176.3	0	0	0	0	0	111.9	L486 A523 Y524 S525 V529 R530 T531 Y549	L486-A527 HydrophobicContact CD2-CB 4.4Å; A523-A527 VanDerWaalsContact O-CB 3.27Å; A523-A527 WeakPolarHBondContact O-CB 3.4Å; A523-A527 PolarHBondContact O-N 2.73Å; Y524-A527 PolarHBondContact O-N 3.43Å; S525-A527 PolarHBondContact O-N 3.25Å; A527-V529 PolarHBondContact O-N 3.04Å; A527-R530 PolarHBondContact O-N 2.84Å; A527-T531 WeakPolarHBondContact O-CB 3.48Å; A527-T531 PolarHBondContact O-N 3.32Å; A527-T531 PolarHBondContact O-OG1 3.26Å; A527-Y549 HydrophobicContact CB-CD2 3.39Å; A527-Y549 HydrophobicContact CB-CE2 3.28Å
528	A	57.5	Low	61.9	Low	19 Å²	19	61.7 Å²	61.7	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-40.3	-171.7	0	0	0	0	0	113.2	Y524	Y524-A528 HydrophobicContact CD1-CB 4.39Å; Y524-A528 HydrophobicContact CE1-CB 4.1Å; Y524-A528 WeakPolarHBondContact O-CB 3.44Å; Y524-A528 PolarHBondContact O-N 3.42Å
529	V	55	Low	61.2	Low	93 Å²	93	63.2 Å²	63.2	56%	0.564	31%	0.311	S	S	*	.	H	α-helix	trans	-70.7	-37	-177.9	174.8	0	0	0	0	111.3	S525 A527	S525-V529 WeakPolarHBondContact O-CB 3.37Å; S525-V529 WeakPolarHBondContact O-CG2 3.45Å; S525-V529 PolarHBondContact O-N 3.44Å; A527-V529 PolarHBondContact O-N 3.04Å
530	R	55.5	Low	60.7	Low	13 Å²	13	72.1 Å²	72.1	5%	0.049	34%	0.344	C	S	.	.	H	α-helix	trans	-98.5	-38.9	-169.9	-59.9	-165.3	-168.9	160.2	19.4	114.7	L469 L472 N473 I482 F526 A527	L469-R530 PolarHBondContact O-NH2 3.36Å; L472-R530 VanDerWaalsContact CB-CZ 3.45Å; L472-R530 VanDerWaalsContact CB-NH2 3.26Å; L472-R530 PolarHBondContact O-NE 3.09Å; L472-R530 PolarHBondContact O-NH2 2.65Å; N473-R530 VanDerWaalsContact CA-NH2 3.27Å; N473-R530 PolarHBondContact OD1-NH2 3.25Å; I482-R530 HydrophobicContact CD1-CB 4.11Å; I482-R530 WeakPolarHBondContact CD1-O 3.48Å; I482-R530 HydrophobicContact CG1-CB 4.04Å; I482-R530 HydrophobicContact CG2-CB 3.84Å; F526-R530 VanDerWaalsContact CE2-NH2 3.3Å; A527-R530 PolarHBondContact O-N 2.84Å
531	T	54.7	Low	60.4	Low	3 Å²	3	74.2 Å²	74.2	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-84	-25.6	-168.3	49.8	0	0	0	0	115.5	I482 L486 A527 I537 L545	I482-T531 HydrophobicContact CG2-CG2 3.44Å; I482-T531 VanDerWaalsContact CG2-CG2 3.44Å; L486-T531 HydrophobicContact CD1-CG2 3.62Å; A527-T531 WeakPolarHBondContact O-CB 3.48Å; A527-T531 PolarHBondContact O-N 3.32Å; A527-T531 PolarHBondContact O-OG1 3.26Å; T531-I537 WeakPolarHBondContact O-CD1 3.46Å; T531-L545 HydrophobicContact CG2-CB 3.93Å; T531-L545 HydrophobicContact CG2-CD1 3.84Å; T531-L545 HydrophobicContact CG2-CD2 3.77Å; T531-L545 HydrophobicContact CG2-CG 4.03Å
532	M	49.6	Very low	60.3	Low	44 Å²	44	71.1 Å²	71.1	22%	0.217	34%	0.335	C	S	.	.	S	Bend	trans	-133.8	0.7	-156.4	-83.2	136.2	173.4	0	0	116.6	W542 L546 Y582	M532-W542 HydrophobicContact CE-CZ2 4.23Å; M532-L546 HydrophobicContact CE-CD2 3.71Å; M532-L546 HydrophobicContact CE-CG 4.44Å; M532-Y582 HydrophobicContact CB-CD1 3.86Å; M532-Y582 HydrophobicContact CB-CE1 3.37Å; M532-Y582 HydrophobicContact CE-CD1 3.74Å; M532-Y582 HydrophobicContact CE-CD2 3.48Å; M532-Y582 VanDerWaalsContact CE-CD2 3.48Å; M532-Y582 HydrophobicContact CE-CE1 4.3Å; M532-Y582 HydrophobicContact CE-CE2 4.06Å; M532-Y582 HydrophobicContact CE-CG 3.29Å; M532-Y582 HydrophobicContact CG-CD1 3.46Å; M532-Y582 VanDerWaalsContact CG-CD1 3.46Å; M532-Y582 HydrophobicContact CG-CE1 3.44Å; M532-Y582 VanDerWaalsContact CG-CE1 3.44Å; M532-Y582 HydrophobicContact CG-CG 4.07Å; M532-Y582 HydrophobicContact SD-CD1 3.16Å; M532-Y582 WeakPolarHBondContact SD-CD1 3.48Å; M532-Y582 HydrophobicContact SD-CD2 3.27Å; M532-Y582 WeakPolarHBondContact SD-CD2 3.37Å; M532-Y582 HydrophobicContact SD-CE1 3.12Å; M532-Y582 WeakPolarHBondContact SD-CE1 3.3Å; M532-Y582 HydrophobicContact SD-CE2 3.22Å; M532-Y582 WeakPolarHBondContact SD-CE2 3.48Å; M532-Y582 HydrophobicContact SD-CG 3.24Å
533	M	50.9	Low	60.3	Low	164 Å²	164	68 Å²	68	81%	0.808	32%	0.322	S	S	*	.	S	Bend	trans	-88	-19.5	168	-72.2	-88.9	-165.1	0	0	113.1	R535	M533-R535 PolarHBondContact O-N 3.17Å
534	R	56.6	Low	60.4	Low	100 Å²	100	69.4 Å²	69.4	38%	0.377	33%	0.331	S	S	.	.			trans	-83.1	116.5	-178.2	-73.9	-172.3	172.9	-176.9	3.5	110.8	T476 P477 D536 I537	T476-R534 VanDerWaalsContact C-NH2 3.28Å; T476-R534 PolarHBondContact O-NH2 3.15Å; T476-R534 VanDerWaalsContact O-NH2 3.09Å; P477-R534 PolarHBondContact O-NH1 2.73Å; R534-D536 PolarHBondContact O-N 3.21Å; R534-I537 HydrophobicContact CB-CD1 3.98Å; R534-I537 HydrophobicContact CB-CG1 3.99Å
535	R	56.1	Low	60.6	Low	243 Å²	243	64.7 Å²	64.7	92%	0.917	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.5	176.6	-67.7	-175.9	179.5	-178.9	0.5	113.5	M533	M533-R535 PolarHBondContact O-N 3.17Å
536	D	59	Low	60.9	Low	150 Å²	150	62.9 Å²	62.9	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	13.8	-166.3	-47.3	-38.7	0	0	0	113.8	R534	R534-D536 PolarHBondContact O-N 3.21Å
537	I	61	Low	61.5	Low	26 Å²	26	64.8 Å²	64.8	13%	0.133	31%	0.308	C	S	.	.			trans	-82	127.5	-178.3	-61.1	171.9	0	0	0	110.3	T531 R534 Q541 W542 L545	T531-I537 WeakPolarHBondContact O-CD1 3.46Å; R534-I537 HydrophobicContact CB-CD1 3.98Å; R534-I537 HydrophobicContact CB-CG1 3.99Å; I537-Q541 HydrophobicContact CG2-CB 3.96Å; I537-W542 HydrophobicContact CG2-CB 4.15Å; I537-L545 HydrophobicContact CD1-CD1 4.17Å; I537-L545 HydrophobicContact CG2-CD1 4.2Å
538	D	63.5	Low	62	Low	81 Å²	81	65.8 Å²	65.8	43%	0.433	31%	0.313	S	S	.	.			trans	-58.2	135.1	174.2	-175.8	-52.1	0	0	0	110.5	R540 Q541 W542	D538-R540 PolarHBondContact O-N 3.45Å; D538-R540 WeakPolarHBondContact OD1-CB 3.45Å; D538-R540 PolarHBondContact OD1-N 3.23Å; D538-Q541 HydrophobicContact CB-CB 4.41Å; D538-Q541 HydrophobicContact CB-CG 4.36Å; D538-Q541 PolarHBondContact O-N 2.87Å; D538-W542 PolarHBondContact O-N 3.36Å
539	P	61.4	Low	62.8	Low	83 Å²	83	65.1 Å²	65.1	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-47.8	-33.9	176	-28.9	34.7	0	0	0	115.4	W542 C543	P539-W542 WeakPolarHBondContact O-CB 3.38Å; P539-C543 PolarHBondContact O-N 3.43Å; P539-C543 PolarHBondContact O-SG 3.28Å
540	R	62.6	Low	63.9	Low	190 Å²	190	61.2 Å²	61.2	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-71	-39.3	177.6	-68.9	-179.1	172.3	-179.5	-0.2	112.8	D538 W542 T544	D538-R540 PolarHBondContact O-N 3.45Å; D538-R540 WeakPolarHBondContact OD1-CB 3.45Å; D538-R540 PolarHBondContact OD1-N 3.23Å; R540-W542 VanDerWaalsContact C-N 3.34Å; R540-T544 PolarHBondContact O-N 3.45Å; R540-T544 PolarHBondContact O-OG1 3.13Å
541	Q	64.4	Low	64.9	Low	45 Å²	45	62.7 Å²	62.7	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-69	-40.4	174.9	-73.4	171.4	-25.2	0	0	109.6	S479 D480 I537 D538 C543 T544 L545	S479-Q541 PolarHBondContact OG-NE2 2.83Å; S479-Q541 VanDerWaalsContact OG-NE2 3.09Å; S479-Q541 PolarHBondContact OG-OE1 2.88Å; D480-Q541 VanDerWaalsContact CG-NE2 3.32Å; D480-Q541 PolarHBondContact OD1-NE2 3.28Å; D480-Q541 PolarHBondContact OD2-NE2 3.12Å; I537-Q541 HydrophobicContact CG2-CB 3.96Å; D538-Q541 HydrophobicContact CB-CB 4.41Å; D538-Q541 HydrophobicContact CB-CG 4.36Å; D538-Q541 PolarHBondContact O-N 2.87Å; Q541-C543 VanDerWaalsContact C-N 3.31Å; Q541-C543 PolarHBondContact O-N 2.98Å; Q541-T544 WeakPolarHBondContact O-CB 3.04Å; Q541-T544 PolarHBondContact O-N 2.87Å; Q541-L545 WeakPolarHBondContact O-CG 2.86Å; Q541-L545 PolarHBondContact O-N 3.41Å
542	W	67.9	Low	65.9	Low	22 Å²	22	62.6 Å²	62.6	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-42.9	175.8	-166.3	83.1	0	0	0	113.1	M532 I537 D538 P539 R540 T544 L545 L546 Y582 T586	M532-W542 HydrophobicContact CE-CZ2 4.23Å; I537-W542 HydrophobicContact CG2-CB 4.15Å; D538-W542 PolarHBondContact O-N 3.36Å; P539-W542 WeakPolarHBondContact O-CB 3.38Å; R540-W542 VanDerWaalsContact C-N 3.34Å; W542-T544 VanDerWaalsContact C-N 3.33Å; W542-T544 PolarHBondContact O-N 3.32Å; W542-L545 PolarHBondContact O-N 2.94Å; W542-L546 HydrophobicContact CD2-CD1 4.28Å; W542-L546 HydrophobicContact CD2-CG 4.32Å; W542-L546 HydrophobicContact CE3-CD1 3.56Å; W542-L546 HydrophobicContact CE3-CG 4.07Å; W542-L546 HydrophobicContact CH2-CD1 3.23Å; W542-L546 HydrophobicContact CH2-CD2 3.92Å; W542-L546 HydrophobicContact CH2-CG 3.79Å; W542-L546 HydrophobicContact CZ2-CD1 4Å; W542-L546 HydrophobicContact CZ2-CD2 3.99Å; W542-L546 HydrophobicContact CZ2-CG 4.04Å; W542-L546 HydrophobicContact CZ3-CD1 2.99Å; W542-L546 HydrophobicContact CZ3-CD2 4.48Å; W542-L546 HydrophobicContact CZ3-CG 3.84Å; W542-L546 PolarHBondContact O-N 3.5Å; W542-Y582 VanDerWaalsContact CH2-O 3.3Å; W542-Y582 WeakPolarHBondContact CH2-O 3.33Å; W542-Y582 VanDerWaalsContact CZ2-O 3.23Å; W542-Y582 WeakPolarHBondContact CZ2-O 3.37Å; W542-T586 HydrophobicContact CD2-CG2 3.66Å; W542-T586 HydrophobicContact CE3-CG2 3.77Å; W542-T586 HydrophobicContact CG-CG2 4.48Å; W542-T586 HydrophobicContact CH2-CG2 3.37Å; W542-T586 WeakPolarHBondContact CH2-OG1 3.39Å; W542-T586 HydrophobicContact CZ2-CG2 3.22Å; W542-T586 HydrophobicContact CZ3-CG2 3.6Å; W542-T586 WeakPolarHBondContact CZ3-OG1 3.49Å
543	C	69.8	Low	67.2	Low	2 Å²	2	60.5 Å²	60.5	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-37.9	174.9	-64.4	0	0	0	0	113	P539 Q541 L545 L546 E547 D589 R591	P539-C543 PolarHBondContact O-N 3.43Å; P539-C543 PolarHBondContact O-SG 3.28Å; Q541-C543 VanDerWaalsContact C-N 3.31Å; Q541-C543 PolarHBondContact O-N 2.98Å; C543-L545 VanDerWaalsContact C-N 3.34Å; C543-L546 PolarHBondContact O-N 3.43Å; C543-E547 WeakPolarHBondContact O-CG 3.29Å; C543-E547 PolarHBondContact O-N 3.27Å; C543-D589 PolarHBondContact SG-OD1 3.4Å; C543-D589 VanDerWaalsContact SG-OD1 3.37Å; C543-R591 HydrophobicContact CB-CG 4.43Å
544	T	68.6	Low	68.5	Low	30 Å²	30	56.9 Å²	56.9	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-37.3	178.2	-52.7	0	0	0	0	110.9	A483 R540 Q541 W542 E547 Q548 R591	A483-T544 HydrophobicContact CB-CG2 4.17Å; R540-T544 PolarHBondContact O-N 3.45Å; R540-T544 PolarHBondContact O-OG1 3.13Å; Q541-T544 WeakPolarHBondContact O-CB 3.04Å; Q541-T544 PolarHBondContact O-N 2.87Å; W542-T544 VanDerWaalsContact C-N 3.33Å; W542-T544 PolarHBondContact O-N 3.32Å; T544-E547 PolarHBondContact O-N 3.4Å; T544-Q548 WeakPolarHBondContact O-CG 3.46Å; T544-Q548 PolarHBondContact O-N 3.06Å; T544-Q548 VanDerWaalsContact O-N 3.13Å; T544-R591 PolarHBondContact OG1-NH1 3.29Å; T544-R591 PolarHBondContact OG1-NH2 2.98Å
545	L	69.2	Low	69.6	Low	1 Å²	1	52.7 Å²	52.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-44	174.2	-63.4	174.5	0	0	0	111.7	I482 A483 L486 T531 I537 Q541 W542 C543 E547 Q548 Y549	I482-L545 HydrophobicContact CB-CD2 4.03Å; I482-L545 HydrophobicContact CG2-CD2 3.78Å; A483-L545 HydrophobicContact CB-CD2 3.77Å; L486-L545 HydrophobicContact CD1-CB 4.49Å; L486-L545 HydrophobicContact CD1-CD2 3.77Å; T531-L545 HydrophobicContact CG2-CB 3.93Å; T531-L545 HydrophobicContact CG2-CD1 3.84Å; T531-L545 HydrophobicContact CG2-CD2 3.77Å; T531-L545 HydrophobicContact CG2-CG 4.03Å; I537-L545 HydrophobicContact CD1-CD1 4.17Å; I537-L545 HydrophobicContact CG2-CD1 4.2Å; Q541-L545 WeakPolarHBondContact O-CG 2.86Å; Q541-L545 PolarHBondContact O-N 3.41Å; W542-L545 PolarHBondContact O-N 2.94Å; C543-L545 VanDerWaalsContact C-N 3.34Å; L545-E547 PolarHBondContact O-N 3.32Å; L545-Q548 PolarHBondContact O-N 3.04Å; L545-Y549 WeakPolarHBondContact O-CB 3.05Å; L545-Y549 PolarHBondContact O-N 3.36Å
546	L	71.5	Confident	70.6	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-41.8	173.7	-77.1	-179.8	0	0	0	113	M532 W542 C543 Y549 Y550 F583 V595	M532-L546 HydrophobicContact CE-CD2 3.71Å; M532-L546 HydrophobicContact CE-CG 4.44Å; W542-L546 HydrophobicContact CD2-CD1 4.28Å; W542-L546 HydrophobicContact CD2-CG 4.32Å; W542-L546 HydrophobicContact CE3-CD1 3.56Å; W542-L546 HydrophobicContact CE3-CG 4.07Å; W542-L546 HydrophobicContact CH2-CD1 3.23Å; W542-L546 HydrophobicContact CH2-CD2 3.92Å; W542-L546 HydrophobicContact CH2-CG 3.79Å; W542-L546 HydrophobicContact CZ2-CD1 4Å; W542-L546 HydrophobicContact CZ2-CD2 3.99Å; W542-L546 HydrophobicContact CZ2-CG 4.04Å; W542-L546 HydrophobicContact CZ3-CD1 2.99Å; W542-L546 HydrophobicContact CZ3-CD2 4.48Å; W542-L546 HydrophobicContact CZ3-CG 3.84Å; W542-L546 PolarHBondContact O-N 3.5Å; C543-L546 PolarHBondContact O-N 3.43Å; L546-Y549 PolarHBondContact O-N 3Å; L546-Y550 WeakPolarHBondContact O-CB 3.35Å; L546-Y550 PolarHBondContact O-N 3.17Å; L546-F583 HydrophobicContact CD1-CD1 4.08Å; L546-F583 HydrophobicContact CD1-CE1 3.57Å; L546-F583 HydrophobicContact CD1-CZ 4.49Å; L546-F583 HydrophobicContact CD2-CE1 4.1Å; L546-F583 HydrophobicContact CD2-CZ 4.41Å; L546-F583 HydrophobicContact CG-CE1 4.41Å; L546-V595 HydrophobicContact CB-CG1 4.34Å
547	E	75	Confident	71.3	Confident	48 Å²	48	34 Å²	34	22%	0.224	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-48.4	177.2	-79.7	175.4	-175.7	0	0	111.3	C543 T544 L545 Y549 Y550 L551 R591 V595	C543-E547 WeakPolarHBondContact O-CG 3.29Å; C543-E547 PolarHBondContact O-N 3.27Å; T544-E547 PolarHBondContact O-N 3.4Å; L545-E547 PolarHBondContact O-N 3.32Å; E547-Y549 VanDerWaalsContact C-N 3.32Å; E547-Y549 PolarHBondContact O-N 3.2Å; E547-Y550 WeakPolarHBondContact O-CB 3.39Å; E547-Y550 PolarHBondContact O-N 3.09Å; E547-L551 WeakPolarHBondContact O-CG 3.36Å; E547-L551 PolarHBondContact O-N 3.03Å; E547-R591 VanDerWaalsContact CD-NH2 3.3Å; E547-R591 WeakPolarHBondContact OE1-CG 3.26Å; E547-R591 IonicContact OE1-CZ 4Å; E547-R591 IonicContact OE1-NE 2.77Å; E547-R591 PolarHBondContact OE1-NE 3.01Å; E547-R591 IonicContact OE1-NH2 3.79Å; E547-R591 PolarHBondContact OE1-NH2 2.59Å; E547-R591 IonicContact OE2-CZ 2.66Å; E547-R591 IonicContact OE2-NE 2.95Å; E547-R591 IonicContact OE2-NH2 3.25Å; E547-R591 PolarHBondContact OE2-NH2 3.3Å; E547-V595 HydrophobicContact CG-CG2 3.31Å
548	Q	72.4	Confident	72.1	Confident	22 Å²	22	34.6 Å²	34.6	10%	0.103	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-39.5	178.7	-63.3	-53.6	-42	0	0	111.7	L486 T487 T544 L545 L551 I552	L486-Q548 HydrophobicContact CB-CB 3.74Å; L486-Q548 HydrophobicContact CB-CG 4.26Å; L486-Q548 HydrophobicContact CD1-CB 4.21Å; T487-Q548 PolarHBondContact OG1-OE1 3.04Å; T544-Q548 WeakPolarHBondContact O-CG 3.46Å; T544-Q548 PolarHBondContact O-N 3.06Å; T544-Q548 VanDerWaalsContact O-N 3.13Å; L545-Q548 PolarHBondContact O-N 3.04Å; Q548-L551 PolarHBondContact O-N 3.05Å; Q548-I552 WeakPolarHBondContact O-CD1 3.48Å; Q548-I552 VanDerWaalsContact O-CG1 3.31Å; Q548-I552 WeakPolarHBondContact O-CG1 3.45Å; Q548-I552 PolarHBondContact O-N 3.35Å
549	Y	74	Confident	72.7	Confident	5 Å²	5	30.8 Å²	30.8	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-46	174.6	-167.8	-94.4	0	0	0	112.4	A527 L545 L546 E547 L551 I552 V553 L575 A578 G579	A527-Y549 HydrophobicContact CB-CD2 3.39Å; A527-Y549 HydrophobicContact CB-CE2 3.28Å; L545-Y549 WeakPolarHBondContact O-CB 3.05Å; L545-Y549 PolarHBondContact O-N 3.36Å; L546-Y549 PolarHBondContact O-N 3Å; E547-Y549 VanDerWaalsContact C-N 3.32Å; E547-Y549 PolarHBondContact O-N 3.2Å; Y549-L551 VanDerWaalsContact C-N 3.33Å; Y549-L551 PolarHBondContact O-N 2.96Å; Y549-I552 WeakPolarHBondContact O-CB 3.43Å; Y549-I552 PolarHBondContact O-N 2.97Å; Y549-V553 HydrophobicContact CD1-CG2 3.79Å; Y549-V553 HydrophobicContact CE1-CG2 3.43Å; Y549-V553 VanDerWaalsContact CE1-CG2 3.43Å; Y549-V553 VanDerWaalsContact O-CG2 3.29Å; Y549-V553 WeakPolarHBondContact O-CG2 3.32Å; Y549-V553 PolarHBondContact O-N 3.5Å; Y549-L575 WeakPolarHBondContact CE1-O 3.45Å; Y549-L575 HydrophobicContact CE2-CD1 4.19Å; Y549-L575 WeakPolarHBondContact OH-CD1 3.38Å; Y549-L575 PolarHBondContact OH-O 3.28Å; Y549-A578 VanDerWaalsContact OH-CB 3.25Å; Y549-A578 WeakPolarHBondContact OH-CB 3.39Å; Y549-G579 VanDerWaalsContact CE1-N 3.32Å
550	Y	77.3	Confident	73.2	Confident	11 Å²	11	26.9 Å²	26.9	4%	0.043	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-43.6	174.8	158.6	-107.4	0	0	0	112	L546 E547 I552 V553 R554 V595 D598 Y599 E602 I603	L546-Y550 WeakPolarHBondContact O-CB 3.35Å; L546-Y550 PolarHBondContact O-N 3.17Å; E547-Y550 WeakPolarHBondContact O-CB 3.39Å; E547-Y550 PolarHBondContact O-N 3.09Å; Y550-I552 PolarHBondContact O-N 3.48Å; Y550-V553 PolarHBondContact O-N 2.99Å; Y550-R554 HydrophobicContact CE2-CB 4.36Å; Y550-R554 VanDerWaalsContact O-CB 3.27Å; Y550-R554 WeakPolarHBondContact O-CB 3.49Å; Y550-R554 PolarHBondContact O-N 3.45Å; Y550-V595 HydrophobicContact CG-CG1 4.44Å; Y550-D598 HydrophobicContact CE1-CB 4.16Å; Y550-D598 HydrophobicContact CE2-CB 4.26Å; Y550-Y599 AromaticContact CD2-CD2 3.5Å; Y550-Y599 HydrophobicContact CD2-CD2 3.5Å; Y550-Y599 HydrophobicContact CD2-CE2 4.27Å; Y550-Y599 HydrophobicContact CD2-CG 4.19Å; Y550-Y599 HydrophobicContact CE2-CD2 4.49Å; Y550-Y599 HydrophobicContact CG-CD2 4.16Å; Y550-E602 VanDerWaalsContact OH-CB 3.25Å; Y550-E602 WeakPolarHBondContact OH-CB 3.37Å; Y550-E602 PolarHBondContact OH-OE2 3.43Å; Y550-I603 HydrophobicContact CE2-CG1 4.4Å
551	L	78.4	Confident	73.5	Confident	43 Å²	43	19.3 Å²	19.3	23%	0.225	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-41.9	177.8	-70	175	0	0	0	112.1	Y490 E547 Q548 Y549 R554 C555	Y490-L551 HydrophobicContact CD2-CB 3.67Å; Y490-L551 HydrophobicContact CE1-CD1 4.45Å; Y490-L551 HydrophobicContact CE2-CB 3.61Å; Y490-L551 VanDerWaalsContact CE2-O 3.3Å; Y490-L551 WeakPolarHBondContact CE2-O 3.17Å; Y490-L551 HydrophobicContact CG-CB 4.15Å; E547-L551 WeakPolarHBondContact O-CG 3.36Å; E547-L551 PolarHBondContact O-N 3.03Å; Q548-L551 PolarHBondContact O-N 3.05Å; Y549-L551 VanDerWaalsContact C-N 3.33Å; Y549-L551 PolarHBondContact O-N 2.96Å; L551-R554 PolarHBondContact O-N 3.02Å; L551-C555 WeakPolarHBondContact O-CB 3.49Å; L551-C555 PolarHBondContact O-N 3.37Å
552	I	75.2	Confident	73.8	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-59.2	-51.8	174.4	-70.7	161	0	0	0	110.7	L486 Y489 Y490 L493 A523 Q548 Y549 Y550 R554 C555 L556 L575	L486-I552 HydrophobicContact CD2-CD1 3.81Å; Y489-I552 HydrophobicContact CD1-CD1 3.66Å; Y489-I552 HydrophobicContact CD1-CG1 3.99Å; Y489-I552 HydrophobicContact CD1-CG2 4.45Å; Y489-I552 HydrophobicContact CE1-CD1 4.27Å; Y489-I552 HydrophobicContact CE1-CG1 4.38Å; Y489-I552 HydrophobicContact CE1-CG2 4.02Å; Y490-I552 HydrophobicContact CD2-CG1 4.31Å; L493-I552 HydrophobicContact CD2-CB 4.26Å; L493-I552 HydrophobicContact CD2-CG1 4.43Å; L493-I552 HydrophobicContact CD2-CG2 3.67Å; A523-I552 HydrophobicContact CB-CG2 4.02Å; Q548-I552 WeakPolarHBondContact O-CD1 3.48Å; Q548-I552 VanDerWaalsContact O-CG1 3.31Å; Q548-I552 WeakPolarHBondContact O-CG1 3.45Å; Q548-I552 PolarHBondContact O-N 3.35Å; Y549-I552 WeakPolarHBondContact O-CB 3.43Å; Y549-I552 PolarHBondContact O-N 2.97Å; Y550-I552 PolarHBondContact O-N 3.48Å; I552-R554 VanDerWaalsContact C-N 3.34Å; I552-R554 PolarHBondContact O-N 3.29Å; I552-C555 PolarHBondContact O-N 3.06Å; I552-L556 HydrophobicContact CG2-CD1 4.42Å; I552-L556 PolarHBondContact O-N 2.87Å; I552-L556 VanDerWaalsContact O-N 3.17Å; I552-L575 HydrophobicContact CG2-CD2 4.37Å
553	V	75.7	Confident	73.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-45.6	178.6	170.4	0	0	0	0	111.3	Y549 Y550 S557 L575 L576 Y599 I603	Y549-V553 HydrophobicContact CD1-CG2 3.79Å; Y549-V553 HydrophobicContact CE1-CG2 3.43Å; Y549-V553 VanDerWaalsContact CE1-CG2 3.43Å; Y549-V553 VanDerWaalsContact O-CG2 3.29Å; Y549-V553 WeakPolarHBondContact O-CG2 3.32Å; Y549-V553 PolarHBondContact O-N 3.5Å; Y550-V553 PolarHBondContact O-N 2.99Å; V553-S557 WeakPolarHBondContact O-CB 3.39Å; V553-S557 PolarHBondContact O-N 2.97Å; V553-L575 HydrophobicContact CB-CD2 4.34Å; V553-L575 HydrophobicContact CG2-CD2 3.73Å; V553-L575 HydrophobicContact CG2-CG 3.78Å; V553-L576 HydrophobicContact CG1-CD2 3.29Å; V553-L576 HydrophobicContact CG1-CG 4.18Å; V553-Y599 HydrophobicContact CB-CE2 4.33Å; V553-Y599 HydrophobicContact CG1-CE2 4.16Å; V553-Y599 HydrophobicContact CG2-CE2 4.33Å; V553-I603 HydrophobicContact CG1-CD1 3.61Å; V553-I603 HydrophobicContact CG1-CG1 4.43Å
554	R	79	Confident	73.4	Confident	88 Å²	88	31.4 Å²	31.4	33%	0.332	15%	0.149	S	C	.	.	H	α-helix	trans	-63.8	-43	-180	-178.6	-174	175.3	177.5	7.1	111.9	Y550 L551 I552 S557 N558 E602	Y550-R554 HydrophobicContact CE2-CB 4.36Å; Y550-R554 VanDerWaalsContact O-CB 3.27Å; Y550-R554 WeakPolarHBondContact O-CB 3.49Å; Y550-R554 PolarHBondContact O-N 3.45Å; L551-R554 PolarHBondContact O-N 3.02Å; I552-R554 VanDerWaalsContact C-N 3.34Å; I552-R554 PolarHBondContact O-N 3.29Å; R554-S557 PolarHBondContact O-N 2.82Å; R554-N558 WeakPolarHBondContact O-CB 3.38Å; R554-N558 PolarHBondContact O-N 3.39Å; R554-N558 PolarHBondContact O-ND2 3.06Å; R554-E602 IonicContact CZ-OE2 3.95Å; R554-E602 IonicContact NE-OE2 2.71Å; R554-E602 IonicContact NH1-OE2 2.95Å; R554-E602 PolarHBondContact NH1-OE2 3.45Å; R554-E602 IonicContact NH2-OE2 2.69Å; R554-E602 PolarHBondContact NH2-OE2 3.34Å
555	C	78.9	Confident	72.8	Confident	13 Å²	13	30.5 Å²	30.5	9%	0.088	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-52.1	178.4	-177	0	0	0	0	111.2	Y490 L551 I552 N558 F559	Y490-C555 HydrophobicContact CD2-CB 4.47Å; Y490-C555 HydrophobicContact CE2-CB 3.99Å; L551-C555 WeakPolarHBondContact O-CB 3.49Å; L551-C555 PolarHBondContact O-N 3.37Å; I552-C555 PolarHBondContact O-N 3.06Å; C555-N558 PolarHBondContact O-N 3.2Å; C555-F559 PolarHBondContact O-N 3.26Å; C555-F559 VanDerWaalsContact O-N 3.14Å
556	L	77.1	Confident	72.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-46.7	177.2	-77.8	167.3	0	0	0	111.9	L493 T519 V520 I552 N558 F559 F560 L572 L575	L493-L556 HydrophobicContact CD1-CD1 4.36Å; L493-L556 HydrophobicContact CD1-CD2 3.88Å; L493-L556 HydrophobicContact CD1-CG 4.12Å; L493-L556 HydrophobicContact CD2-CD1 3.89Å; L493-L556 HydrophobicContact CD2-CG 3.85Å; L493-L556 HydrophobicContact CG-CD2 4.46Å; L493-L556 HydrophobicContact CG-CG 4.27Å; T519-L556 HydrophobicContact CG2-CD2 4.44Å; V520-L556 HydrophobicContact CG2-CD1 4.23Å; I552-L556 HydrophobicContact CG2-CD1 4.42Å; I552-L556 PolarHBondContact O-N 2.87Å; I552-L556 VanDerWaalsContact O-N 3.17Å; L556-N558 PolarHBondContact O-N 2.88Å; L556-F559 WeakPolarHBondContact O-CB 3.37Å; L556-F559 PolarHBondContact O-N 3.2Å; L556-F560 HydrophobicContact CB-CD2 4.27Å; L556-F560 HydrophobicContact CB-CE2 4.06Å; L556-F560 HydrophobicContact CD2-CE2 4.1Å; L556-F560 WeakPolarHBondContact O-CD2 3.23Å; L556-F560 PolarHBondContact O-N 3.1Å; L556-L572 HydrophobicContact CB-CD1 4.28Å; L556-L575 HydrophobicContact CD1-CD2 3.65Å
557	S	74	Confident	71.4	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-47.8	178.6	178.2	0	0	0	0	111.7	V553 R554 F559 F560 I561	V553-S557 WeakPolarHBondContact O-CB 3.39Å; V553-S557 PolarHBondContact O-N 2.97Å; R554-S557 PolarHBondContact O-N 2.82Å; S557-F559 VanDerWaalsContact C-N 3.33Å; S557-F559 PolarHBondContact O-N 2.81Å; S557-F560 PolarHBondContact O-N 3.42Å; S557-I561 WeakPolarHBondContact O-CB 3.03Å; S557-I561 VanDerWaalsContact O-CD1 3.28Å; S557-I561 WeakPolarHBondContact O-CD1 3.32Å; S557-I561 WeakPolarHBondContact O-CG1 3.31Å; S557-I561 PolarHBondContact O-N 3.18Å; S557-I561 VanDerWaalsContact O-N 3.16Å
558	N	77.5	Confident	70.5	Confident	38 Å²	38	38.3 Å²	38.3	20%	0.203	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-43.2	177.9	-77.5	-23.4	0	0	0	112.1	R554 C555 L556 I561 E562	R554-N558 WeakPolarHBondContact O-CB 3.38Å; R554-N558 PolarHBondContact O-N 3.39Å; R554-N558 PolarHBondContact O-ND2 3.06Å; C555-N558 PolarHBondContact O-N 3.2Å; L556-N558 PolarHBondContact O-N 2.88Å; N558-I561 PolarHBondContact O-N 3.02Å; N558-E562 WeakPolarHBondContact O-CB 3.27Å; N558-E562 VanDerWaalsContact O-CG 3.31Å; N558-E562 WeakPolarHBondContact O-CG 3.1Å; N558-E562 PolarHBondContact O-N 3.43Å
559	F	77.9	Confident	69.9	Low	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-51.1	176.9	174.1	-105.3	0	0	0	112.5	V497 W500 K501 M504 P511 L516 C555 L556 S557 I561 E562 T563	V497-F559 HydrophobicContact CB-CB 4.48Å; V497-F559 HydrophobicContact CB-CD2 4.39Å; V497-F559 HydrophobicContact CB-CG 4.49Å; V497-F559 HydrophobicContact CG1-CB 3.71Å; V497-F559 HydrophobicContact CG1-CD2 3.7Å; V497-F559 HydrophobicContact CG1-CG 3.94Å; V497-F559 HydrophobicContact CG2-CB 3.96Å; V497-F559 HydrophobicContact CG2-CD1 4.5Å; V497-F559 HydrophobicContact CG2-CD2 4.37Å; V497-F559 HydrophobicContact CG2-CG 4.01Å; W500-F559 HydrophobicContact CB-CE2 3.54Å; W500-F559 HydrophobicContact CB-CZ 3.59Å; W500-F559 HydrophobicContact CD2-CE1 4.33Å; W500-F559 AromaticContact CD2-CZ 3.96Å; W500-F559 HydrophobicContact CD2-CZ 3.96Å; W500-F559 HydrophobicContact CE3-CD1 4.06Å; W500-F559 AromaticContact CE3-CE1 3.51Å; W500-F559 HydrophobicContact CE3-CE1 3.51Å; W500-F559 HydrophobicContact CE3-CE2 4.07Å; W500-F559 AromaticContact CE3-CZ 3.5Å; W500-F559 HydrophobicContact CE3-CZ 3.5Å; W500-F559 VanDerWaalsContact CE3-CZ 3.5Å; W500-F559 HydrophobicContact CG-CE2 4.43Å; W500-F559 HydrophobicContact CG-CZ 4.08Å; W500-F559 HydrophobicContact CZ3-CD1 4.29Å; W500-F559 AromaticContact CZ3-CE1 3.92Å; W500-F559 HydrophobicContact CZ3-CE1 3.92Å; W500-F559 HydrophobicContact CZ3-CZ 4.36Å; K501-F559 HydrophobicContact CG-CD2 4.02Å; K501-F559 HydrophobicContact CG-CE2 4.15Å; M504-F559 HydrophobicContact CE-CE2 4.03Å; M504-F559 HydrophobicContact CE-CZ 3.62Å; P511-F559 HydrophobicContact CG-CE1 4.11Å; P511-F559 HydrophobicContact CG-CZ 3.88Å; L516-F559 HydrophobicContact CD2-CE1 3.93Å; C555-F559 PolarHBondContact O-N 3.26Å; C555-F559 VanDerWaalsContact O-N 3.14Å; L556-F559 WeakPolarHBondContact O-CB 3.37Å; L556-F559 PolarHBondContact O-N 3.2Å; S557-F559 VanDerWaalsContact C-N 3.33Å; S557-F559 PolarHBondContact O-N 2.81Å; F559-I561 PolarHBondContact O-N 3.09Å; F559-E562 PolarHBondContact O-N 3.48Å; F559-T563 HydrophobicContact CD2-CG2 3.9Å; F559-T563 HydrophobicContact CE2-CG2 3.62Å; F559-T563 HydrophobicContact CZ-CG2 4.03Å; F559-T563 WeakPolarHBondContact O-CB 3.26Å; F559-T563 VanDerWaalsContact O-CG2 3.26Å; F559-T563 WeakPolarHBondContact O-CG2 3.27Å; F559-T563 PolarHBondContact O-N 3.06Å; F559-T563 VanDerWaalsContact O-N 3.11Å; F559-T563 PolarHBondContact O-OG1 2.78Å
560	F	71.1	Confident	69.2	Low	1 Å²	1	45.7 Å²	45.7	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-33.8	-179.3	-78.3	-59.2	0	0	0	112.9	L516 V520 L556 S557 T563 K564 C565 V568 L572	L516-F560 HydrophobicContact CB-CE1 4.35Å; L516-F560 HydrophobicContact CB-CZ 4.37Å; L516-F560 HydrophobicContact CD1-CE1 3.91Å; L516-F560 HydrophobicContact CD2-CE1 3.66Å; L516-F560 HydrophobicContact CD2-CZ 3.86Å; L516-F560 HydrophobicContact CG-CE1 4.17Å; V520-F560 HydrophobicContact CG2-CE2 4.42Å; V520-F560 HydrophobicContact CG2-CZ 4.39Å; L556-F560 HydrophobicContact CB-CD2 4.27Å; L556-F560 HydrophobicContact CB-CE2 4.06Å; L556-F560 HydrophobicContact CD2-CE2 4.1Å; L556-F560 WeakPolarHBondContact O-CD2 3.23Å; L556-F560 PolarHBondContact O-N 3.1Å; S557-F560 PolarHBondContact O-N 3.42Å; F560-T563 PolarHBondContact O-OG1 2.81Å; F560-K564 PolarHBondContact O-N 2.78Å; F560-C565 HydrophobicContact CD1-CB 4.06Å; F560-C565 PolarHBondContact O-N 2.84Å; F560-V568 HydrophobicContact CB-CG2 3.73Å; F560-V568 HydrophobicContact CD1-CG2 4.3Å; F560-V568 HydrophobicContact CG-CG2 4.27Å; F560-L572 HydrophobicContact CD2-CB 4.27Å; F560-L572 HydrophobicContact CD2-CD1 4.11Å; F560-L572 HydrophobicContact CD2-CD2 4.23Å; F560-L572 HydrophobicContact CD2-CG 4.42Å; F560-L572 HydrophobicContact CE2-CB 4.32Å; F560-L572 HydrophobicContact CE2-CD1 4.35Å
561	I	67.9	Low	68.5	Low	31 Å²	31	45.6 Å²	45.6	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-77	-43.1	-178.3	-66.8	171.2	0	0	0	112	S557 N558 F559 T563 K604 T607	S557-I561 WeakPolarHBondContact O-CB 3.03Å; S557-I561 VanDerWaalsContact O-CD1 3.28Å; S557-I561 WeakPolarHBondContact O-CD1 3.32Å; S557-I561 WeakPolarHBondContact O-CG1 3.31Å; S557-I561 PolarHBondContact O-N 3.18Å; S557-I561 VanDerWaalsContact O-N 3.16Å; N558-I561 PolarHBondContact O-N 3.02Å; F559-I561 PolarHBondContact O-N 3.09Å; I561-T563 PolarHBondContact O-N 2.73Å; I561-K604 HydrophobicContact CB-CD 4.47Å; I561-K604 HydrophobicContact CD1-CB 3.31Å; I561-K604 HydrophobicContact CD1-CD 3.65Å; I561-K604 HydrophobicContact CD1-CG 4.07Å; I561-K604 HydrophobicContact CG2-CD 3.83Å; I561-T607 HydrophobicContact CB-CG2 4.25Å; I561-T607 HydrophobicContact CD1-CG2 3.51Å; I561-T607 WeakPolarHBondContact CD1-OG1 3.31Å; I561-T607 HydrophobicContact CG1-CG2 3.55Å; I561-T607 VanDerWaalsContact CG1-OG1 3.3Å; I561-T607 WeakPolarHBondContact CG1-OG1 3.41Å; I561-T607 HydrophobicContact CG2-CG2 3.78Å
562	E	71.9	Confident	67.8	Low	106 Å²	106	43.6 Å²	43.6	50%	0.495	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-33.5	178.2	-74.3	169.9	-161.9	0	0	111.5	K501 N558 F559	K501-E562 WeakPolarHBondContact CE-OE2 3.39Å; K501-E562 IonicContact NZ-OE1 3.53Å; K501-E562 IonicContact NZ-OE2 2.61Å; K501-E562 PolarHBondContact NZ-OE2 2.96Å; N558-E562 WeakPolarHBondContact O-CB 3.27Å; N558-E562 VanDerWaalsContact O-CG 3.31Å; N558-E562 WeakPolarHBondContact O-CG 3.1Å; N558-E562 PolarHBondContact O-N 3.43Å; F559-E562 PolarHBondContact O-N 3.48Å
563	T	67.5	Low	67.3	Low	35 Å²	35	43.7 Å²	43.7	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-94.3	-5.5	-173.2	59.7	0	0	0	0	114.1	M504 F559 F560 I561 C565	M504-T563 HydrophobicContact CE-CG2 3.58Å; M504-T563 HydrophobicContact SD-CG2 3.22Å; M504-T563 WeakPolarHBondContact SD-CG2 3.26Å; F559-T563 HydrophobicContact CD2-CG2 3.9Å; F559-T563 HydrophobicContact CE2-CG2 3.62Å; F559-T563 HydrophobicContact CZ-CG2 4.03Å; F559-T563 WeakPolarHBondContact O-CB 3.26Å; F559-T563 VanDerWaalsContact O-CG2 3.26Å; F559-T563 WeakPolarHBondContact O-CG2 3.27Å; F559-T563 PolarHBondContact O-N 3.06Å; F559-T563 VanDerWaalsContact O-N 3.11Å; F559-T563 PolarHBondContact O-OG1 2.78Å; F560-T563 PolarHBondContact O-OG1 2.81Å; I561-T563 PolarHBondContact O-N 2.73Å; T563-C565 PolarHBondContact O-N 3.37Å
564	K	62.2	Low	66.8	Low	182 Å²	182	47.4 Å²	47.4	79%	0.791	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.9	-176.2	-60.5	-177.2	179.9	178.4	0	112.7	F560 D566	F560-K564 PolarHBondContact O-N 2.78Å; K564-D566 PolarHBondContact O-N 3.06Å
565	C	56	Low	66.2	Low	12 Å²	12	43.2 Å²	43.2	8%	0.081	22%	0.219	C	C	.	.			trans	-73.9	118.8	-177.4	-149.8	0	0	0	0	109.4	F560 T563 I567 V568	F560-C565 HydrophobicContact CD1-CB 4.06Å; F560-C565 PolarHBondContact O-N 2.84Å; T563-C565 PolarHBondContact O-N 3.37Å; C565-I567 PolarHBondContact O-N 3.01Å; C565-V568 WeakPolarHBondContact O-CG2 3.38Å; C565-V568 PolarHBondContact O-N 3.4Å
566	D	55.4	Low	65.8	Low	161 Å²	161	42.7 Å²	42.7	86%	0.861	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-61.3	-10.8	-179.8	-65.2	-32.6	0	0	0	113.4	K564 V568	K564-D566 PolarHBondContact O-N 3.06Å; D566-V568 PolarHBondContact O-N 3.27Å
567	I	56	Low	65.4	Low	36 Å²	36	43.7 Å²	43.7	19%	0.185	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-74.4	-5.1	179.3	-60.6	154.7	0	0	0	112.5	V513 L516 C565 E569	V513-I567 HydrophobicContact CB-CD1 3.94Å; V513-I567 HydrophobicContact CB-CG1 4.36Å; V513-I567 HydrophobicContact CG1-CD1 4.32Å; V513-I567 HydrophobicContact CG1-CG1 4.24Å; V513-I567 HydrophobicContact CG1-CG2 4.23Å; V513-I567 HydrophobicContact CG2-CD1 3.42Å; V513-I567 VanDerWaalsContact CG2-CD1 3.42Å; V513-I567 HydrophobicContact CG2-CG1 3.8Å; L516-I567 HydrophobicContact CB-CG2 4.29Å; L516-I567 HydrophobicContact CD1-CB 4.27Å; L516-I567 HydrophobicContact CD1-CD1 3.62Å; L516-I567 HydrophobicContact CD1-CG2 4.17Å; C565-I567 PolarHBondContact O-N 3.01Å; I567-E569 PolarHBondContact O-N 3.06Å
568	V	54.9	Low	65	Low	19 Å²	19	44 Å²	44	12%	0.115	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.7	-32.4	-176.9	176.2	0	0	0	0	113.6	F560 C565 D566 L572	F560-V568 HydrophobicContact CB-CG2 3.73Å; F560-V568 HydrophobicContact CD1-CG2 4.3Å; F560-V568 HydrophobicContact CG-CG2 4.27Å; C565-V568 WeakPolarHBondContact O-CG2 3.38Å; C565-V568 PolarHBondContact O-N 3.4Å; D566-V568 PolarHBondContact O-N 3.27Å; V568-L572 HydrophobicContact CG1-CD2 4Å; V568-L572 WeakPolarHBondContact O-CB 3.34Å
569	E	59.6	Low	64.5	Low	85 Å²	85	42.2 Å²	42.2	40%	0.397	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-40.6	-156.5	-65.6	-167.6	162.2	0	0	115.7	I567 L573	I567-E569 PolarHBondContact O-N 3.06Å; E569-L573 WeakPolarHBondContact O-CB 3.23Å
570	N	60.7	Low	64.2	Low	97 Å²	97	42.2 Å²	42.2	52%	0.519	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-42.8	-173.1	-70.6	-21.4	0	0	0	112.8	L573 L574	N570-L573 WeakPolarHBondContact O-CB 3.28Å; N570-L573 PolarHBondContact O-N 3.37Å; N570-L574 WeakPolarHBondContact O-CG 3.43Å; N570-L574 PolarHBondContact O-N 3.05Å; N570-L574 VanDerWaalsContact O-N 3.14Å
571	T	61.5	Low	64	Low	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.227	C	C	.	.	H	α-helix	trans	-76.9	-50.6	-170	-26.4	0	0	0	0	111.5	E517 V520 L573 L574 L575	E517-T571 HydrophobicContact CB-CG2 4.41Å; E517-T571 HydrophobicContact CG-CG2 4.13Å; V520-T571 HydrophobicContact CB-CG2 3.32Å; V520-T571 HydrophobicContact CG1-CG2 3.56Å; V520-T571 VanDerWaalsContact CG1-O 3.26Å; V520-T571 WeakPolarHBondContact CG1-O 3.4Å; V520-T571 HydrophobicContact CG2-CG2 3.67Å; T571-L573 PolarHBondContact O-N 3.27Å; T571-L574 PolarHBondContact O-N 3.29Å; T571-L575 PolarHBondContact O-N 2.77Å
572	L	64	Low	64	Low	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-32.2	173.6	-177.4	66	0	0	0	110.7	L556 F560 V568 L575 L576	L556-L572 HydrophobicContact CB-CD1 4.28Å; F560-L572 HydrophobicContact CD2-CB 4.27Å; F560-L572 HydrophobicContact CD2-CD1 4.11Å; F560-L572 HydrophobicContact CD2-CD2 4.23Å; F560-L572 HydrophobicContact CD2-CG 4.42Å; F560-L572 HydrophobicContact CE2-CB 4.32Å; F560-L572 HydrophobicContact CE2-CD1 4.35Å; V568-L572 HydrophobicContact CG1-CD2 4Å; V568-L572 WeakPolarHBondContact O-CB 3.34Å; L572-L575 PolarHBondContact O-N 3.12Å; L572-L576 HydrophobicContact CD1-CD1 4.46Å; L572-L576 HydrophobicContact CD1-CG 4.38Å; L572-L576 HydrophobicContact CD2-CD1 4.06Å; L572-L576 HydrophobicContact CG-CD1 3.72Å; L572-L576 HydrophobicContact CG-CG 4.1Å; L572-L576 WeakPolarHBondContact O-CB 3.36Å; L572-L576 VanDerWaalsContact O-CG 3.23Å; L572-L576 WeakPolarHBondContact O-CG 2.99Å; L572-L576 PolarHBondContact O-N 3.09Å
573	L	65.2	Low	63.8	Low	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-45.8	179.3	175.5	61.7	0	0	0	113.2	E569 N570 T571 L575 L576 I577 T611 E613 I614	E569-L573 WeakPolarHBondContact O-CB 3.23Å; N570-L573 WeakPolarHBondContact O-CB 3.28Å; N570-L573 PolarHBondContact O-N 3.37Å; T571-L573 PolarHBondContact O-N 3.27Å; L573-L575 PolarHBondContact O-N 3.02Å; L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.17Å; L573-I577 HydrophobicContact CD1-CD1 3.51Å; L573-I577 HydrophobicContact CD1-CG1 3.65Å; L573-I577 HydrophobicContact CD2-CD1 4.13Å; L573-I577 HydrophobicContact CG-CD1 3.54Å; L573-I577 HydrophobicContact CG-CG1 4.12Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 VanDerWaalsContact O-CG1 3.29Å; L573-I577 WeakPolarHBondContact O-CG1 3.38Å; L573-I577 PolarHBondContact O-N 3.26Å; L573-T611 HydrophobicContact CD2-CG2 4.4Å; L573-T611 WeakPolarHBondContact CD2-OG1 3.5Å; L573-E613 HydrophobicContact CD2-CB 4.44Å; L573-I614 HydrophobicContact CD1-CB 4.31Å; L573-I614 HydrophobicContact CD1-CD1 3.21Å; L573-I614 HydrophobicContact CD1-CG1 3.32Å; L573-I614 HydrophobicContact CD1-CG2 4.46Å; L573-I614 HydrophobicContact CD2-CD1 3.69Å; L573-I614 HydrophobicContact CD2-CG1 3.29Å; L573-I614 HydrophobicContact CG-CD1 3.94Å; L573-I614 HydrophobicContact CG-CG1 3.81Å
574	L	65.5	Low	63.6	Low	78 Å²	78	39 Å²	39	41%	0.408	20%	0.2	S	C	.	.	H	α-helix	trans	-57.5	-41.3	176.3	-72.4	170.8	0	0	0	111.2	N570 T571 A578	N570-L574 WeakPolarHBondContact O-CG 3.43Å; N570-L574 PolarHBondContact O-N 3.05Å; N570-L574 VanDerWaalsContact O-N 3.14Å; T571-L574 PolarHBondContact O-N 3.29Å; L574-A578 VanDerWaalsContact O-CB 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.35Å; L574-A578 PolarHBondContact O-N 3.4Å
575	L	66.4	Low	63.4	Low	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-45.4	175.8	-160.8	78.2	0	0	0	111.6	V520 A523 Y549 I552 V553 L556 T571 L572 L573 I577 A578 G579	V520-L575 HydrophobicContact CG1-CB 4.03Å; V520-L575 HydrophobicContact CG1-CD1 4.35Å; A523-L575 HydrophobicContact CB-CD1 3.67Å; Y549-L575 WeakPolarHBondContact CE1-O 3.45Å; Y549-L575 HydrophobicContact CE2-CD1 4.19Å; Y549-L575 WeakPolarHBondContact OH-CD1 3.38Å; Y549-L575 PolarHBondContact OH-O 3.28Å; I552-L575 HydrophobicContact CG2-CD2 4.37Å; V553-L575 HydrophobicContact CB-CD2 4.34Å; V553-L575 HydrophobicContact CG2-CD2 3.73Å; V553-L575 HydrophobicContact CG2-CG 3.78Å; L556-L575 HydrophobicContact CD1-CD2 3.65Å; T571-L575 PolarHBondContact O-N 2.77Å; L572-L575 PolarHBondContact O-N 3.12Å; L573-L575 PolarHBondContact O-N 3.02Å; L575-I577 PolarHBondContact O-N 2.93Å; L575-A578 PolarHBondContact O-N 3.07Å; L575-G579 PolarHBondContact O-N 2.85Å; L575-G579 VanDerWaalsContact O-N 3.11Å
576	L	69.3	Low	63.5	Low	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-46	178.6	-75.3	168.8	0	0	0	111.9	V553 L572 L573 G579 L580 Y599 I603 W605 V608	V553-L576 HydrophobicContact CG1-CD2 3.29Å; V553-L576 HydrophobicContact CG1-CG 4.18Å; L572-L576 HydrophobicContact CD1-CD1 4.46Å; L572-L576 HydrophobicContact CD1-CG 4.38Å; L572-L576 HydrophobicContact CD2-CD1 4.06Å; L572-L576 HydrophobicContact CG-CD1 3.72Å; L572-L576 HydrophobicContact CG-CG 4.1Å; L572-L576 WeakPolarHBondContact O-CB 3.36Å; L572-L576 VanDerWaalsContact O-CG 3.23Å; L572-L576 WeakPolarHBondContact O-CG 2.99Å; L572-L576 PolarHBondContact O-N 3.09Å; L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.17Å; L576-G579 PolarHBondContact O-N 3.17Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 2.92Å; L576-Y599 WeakPolarHBondContact CA-OH 3.17Å; L576-Y599 HydrophobicContact CD2-CE1 4.35Å; L576-Y599 PolarHBondContact O-OH 3.43Å; L576-Y599 VanDerWaalsContact O-OH 3.04Å; L576-I603 HydrophobicContact CD2-CD1 3.79Å; L576-I603 HydrophobicContact CD2-CG2 3.9Å; L576-W605 HydrophobicContact CB-CH2 3.99Å; L576-W605 HydrophobicContact CB-CZ3 4.13Å; L576-W605 HydrophobicContact CD1-CE3 4.42Å; L576-W605 HydrophobicContact CD1-CH2 4.26Å; L576-W605 HydrophobicContact CD1-CZ3 3.82Å; L576-W605 HydrophobicContact CD2-CH2 3.58Å; L576-W605 HydrophobicContact CD2-CZ2 4.05Å; L576-W605 HydrophobicContact CD2-CZ3 3.99Å; L576-W605 HydrophobicContact CG-CH2 4.16Å; L576-W605 HydrophobicContact CG-CZ3 4.22Å; L576-V608 HydrophobicContact CD1-CG2 4.1Å
577	I	69.1	Low	63.8	Low	22 Å²	22	37 Å²	37	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-42.7	179.4	-71.6	173.6	0	0	0	110.7	L573 L575 L580 S581 C617 F621	L573-I577 HydrophobicContact CD1-CD1 3.51Å; L573-I577 HydrophobicContact CD1-CG1 3.65Å; L573-I577 HydrophobicContact CD2-CD1 4.13Å; L573-I577 HydrophobicContact CG-CD1 3.54Å; L573-I577 HydrophobicContact CG-CG1 4.12Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 VanDerWaalsContact O-CG1 3.29Å; L573-I577 WeakPolarHBondContact O-CG1 3.38Å; L573-I577 PolarHBondContact O-N 3.26Å; L575-I577 PolarHBondContact O-N 2.93Å; I577-L580 PolarHBondContact O-N 3.35Å; I577-S581 WeakPolarHBondContact O-CB 3.43Å; I577-S581 PolarHBondContact O-N 3.43Å; I577-C617 HydrophobicContact CD1-CB 4.04Å; I577-C617 HydrophobicContact CG1-CB 4.32Å; I577-C617 HydrophobicContact CG2-CB 3.97Å; I577-F621 HydrophobicContact CG2-CE2 4.28Å; I577-F621 HydrophobicContact CG2-CZ 3.91Å
578	A	66.2	Low	64.3	Low	7 Å²	7	36.5 Å²	36.5	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-51.3	176.3	0	0	0	0	0	110.8	Y524 Y549 L574 L575 L580 S581 Y582	Y524-A578 HydrophobicContact CD2-CB 3.9Å; Y524-A578 HydrophobicContact CE2-CB 3.67Å; Y549-A578 VanDerWaalsContact OH-CB 3.25Å; Y549-A578 WeakPolarHBondContact OH-CB 3.39Å; L574-A578 VanDerWaalsContact O-CB 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.35Å; L574-A578 PolarHBondContact O-N 3.4Å; L575-A578 PolarHBondContact O-N 3.07Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.43Å; A578-S581 WeakPolarHBondContact O-CB 3.31Å; A578-S581 PolarHBondContact O-N 3.27Å; A578-S581 VanDerWaalsContact O-N 3.11Å; A578-S581 PolarHBondContact O-OG 2.99Å; A578-Y582 HydrophobicContact CB-CE2 4.25Å; A578-Y582 WeakPolarHBondContact O-CD2 3.44Å; A578-Y582 WeakPolarHBondContact O-CE2 3.48Å
579	G	67.5	Low	65.1	Low	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-53.1	-46.2	175.3	0	0	0	0	0	113.5	Y549 L575 L576 S581 Y582	Y549-G579 VanDerWaalsContact CE1-N 3.32Å; L575-G579 PolarHBondContact O-N 2.85Å; L575-G579 VanDerWaalsContact O-N 3.11Å; L576-G579 PolarHBondContact O-N 3.17Å; G579-S581 PolarHBondContact O-N 3.4Å; G579-Y582 PolarHBondContact O-N 3.19Å
580	L	70.8	Confident	65.8	Low	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-38.2	178.9	-71.3	176.4	0	0	0	113.2	L576 I577 A578 Y582 F583 Y599 W605 F618 F621 F632 F633	L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.37Å; L576-L580 PolarHBondContact O-N 2.92Å; I577-L580 PolarHBondContact O-N 3.35Å; A578-L580 VanDerWaalsContact C-N 3.31Å; A578-L580 PolarHBondContact O-N 3.43Å; L580-Y582 PolarHBondContact O-N 3Å; L580-F583 HydrophobicContact CD2-CD2 4.47Å; L580-F583 PolarHBondContact O-N 2.81Å; L580-Y599 HydrophobicContact CD2-CD1 3.79Å; L580-Y599 HydrophobicContact CD2-CE1 3.62Å; L580-Y599 HydrophobicContact CG-CE1 3.83Å; L580-W605 HydrophobicContact CD1-CH2 3.75Å; L580-W605 HydrophobicContact CD1-CZ2 4.48Å; L580-W605 HydrophobicContact CD1-CZ3 4.43Å; L580-W605 HydrophobicContact CD2-CH2 4.49Å; L580-W605 HydrophobicContact CD2-CZ2 4.49Å; L580-W605 HydrophobicContact CG-CH2 4.28Å; L580-F618 HydrophobicContact CD1-CE1 3.8Å; L580-F618 HydrophobicContact CD1-CE2 4.15Å; L580-F618 HydrophobicContact CD1-CZ 3.33Å; L580-F621 HydrophobicContact CB-CD2 4.13Å; L580-F621 HydrophobicContact CB-CE2 3.6Å; L580-F621 HydrophobicContact CB-CZ 4.38Å; L580-F621 HydrophobicContact CD1-CE2 4.48Å; L580-F632 HydrophobicContact CD2-CE1 3.38Å; L580-F632 HydrophobicContact CD2-CZ 3.4Å; L580-F633 HydrophobicContact CB-CE1 4.05Å; L580-F633 HydrophobicContact CD2-CD1 4.27Å; L580-F633 HydrophobicContact CD2-CE1 4.04Å
581	S	67.5	Low	66.5	Low	40 Å²	40	40.3 Å²	40.3	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-31.5	-178.4	78.7	0	0	0	0	112.4	I577 A578 G579 F583 N584	I577-S581 WeakPolarHBondContact O-CB 3.43Å; I577-S581 PolarHBondContact O-N 3.43Å; A578-S581 WeakPolarHBondContact O-CB 3.31Å; A578-S581 PolarHBondContact O-N 3.27Å; A578-S581 VanDerWaalsContact O-N 3.11Å; A578-S581 PolarHBondContact O-OG 2.99Å; G579-S581 PolarHBondContact O-N 3.4Å; S581-F583 VanDerWaalsContact C-N 3.33Å; S581-F583 PolarHBondContact O-N 3.09Å; S581-N584 WeakPolarHBondContact O-CB 3.19Å; S581-N584 PolarHBondContact O-N 3.4Å
582	Y	66.9	Low	67	Low	31 Å²	31	39.9 Å²	39.9	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-74	-23.9	-177	-60.8	-52.5	0	0	0	113.5	M532 W542 A578 G579 L580 N584 S585	M532-Y582 HydrophobicContact CB-CD1 3.86Å; M532-Y582 HydrophobicContact CB-CE1 3.37Å; M532-Y582 HydrophobicContact CE-CD1 3.74Å; M532-Y582 HydrophobicContact CE-CD2 3.48Å; M532-Y582 VanDerWaalsContact CE-CD2 3.48Å; M532-Y582 HydrophobicContact CE-CE1 4.3Å; M532-Y582 HydrophobicContact CE-CE2 4.06Å; M532-Y582 HydrophobicContact CE-CG 3.29Å; M532-Y582 HydrophobicContact CG-CD1 3.46Å; M532-Y582 VanDerWaalsContact CG-CD1 3.46Å; M532-Y582 HydrophobicContact CG-CE1 3.44Å; M532-Y582 VanDerWaalsContact CG-CE1 3.44Å; M532-Y582 HydrophobicContact CG-CG 4.07Å; M532-Y582 HydrophobicContact SD-CD1 3.16Å; M532-Y582 WeakPolarHBondContact SD-CD1 3.48Å; M532-Y582 HydrophobicContact SD-CD2 3.27Å; M532-Y582 WeakPolarHBondContact SD-CD2 3.37Å; M532-Y582 HydrophobicContact SD-CE1 3.12Å; M532-Y582 WeakPolarHBondContact SD-CE1 3.3Å; M532-Y582 HydrophobicContact SD-CE2 3.22Å; M532-Y582 WeakPolarHBondContact SD-CE2 3.48Å; M532-Y582 HydrophobicContact SD-CG 3.24Å; W542-Y582 VanDerWaalsContact CH2-O 3.3Å; W542-Y582 WeakPolarHBondContact CH2-O 3.33Å; W542-Y582 VanDerWaalsContact CZ2-O 3.23Å; W542-Y582 WeakPolarHBondContact CZ2-O 3.37Å; A578-Y582 HydrophobicContact CB-CE2 4.25Å; A578-Y582 WeakPolarHBondContact O-CD2 3.44Å; A578-Y582 WeakPolarHBondContact O-CE2 3.48Å; G579-Y582 PolarHBondContact O-N 3.19Å; L580-Y582 PolarHBondContact O-N 3Å; Y582-N584 PolarHBondContact O-N 3.31Å; Y582-S585 PolarHBondContact O-OG 2.97Å
583	F	68.5	Low	67.6	Low	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.8	174.1	-62.8	-59.8	0	0	0	113	L546 L580 S581 L588 V595 M596 Y599 Q629 F632 F633	L546-F583 HydrophobicContact CD1-CD1 4.08Å; L546-F583 HydrophobicContact CD1-CE1 3.57Å; L546-F583 HydrophobicContact CD1-CZ 4.49Å; L546-F583 HydrophobicContact CD2-CE1 4.1Å; L546-F583 HydrophobicContact CD2-CZ 4.41Å; L546-F583 HydrophobicContact CG-CE1 4.41Å; L580-F583 HydrophobicContact CD2-CD2 4.47Å; L580-F583 PolarHBondContact O-N 2.81Å; S581-F583 VanDerWaalsContact C-N 3.33Å; S581-F583 PolarHBondContact O-N 3.09Å; F583-L588 HydrophobicContact CD1-CD2 4.37Å; F583-V595 HydrophobicContact CZ-CG1 4.45Å; F583-M596 HydrophobicContact CB-CE 3.95Å; F583-M596 HydrophobicContact CB-SD 4.16Å; F583-M596 HydrophobicContact CD1-CE 4.29Å; F583-M596 HydrophobicContact CD1-CG 3.17Å; F583-M596 HydrophobicContact CD1-SD 3.56Å; F583-M596 VanDerWaalsContact CD1-SD 3.56Å; F583-M596 HydrophobicContact CD2-CG 4.1Å; F583-M596 HydrophobicContact CE1-CB 4.32Å; F583-M596 HydrophobicContact CE1-CG 3.12Å; F583-M596 HydrophobicContact CE1-SD 4.12Å; F583-M596 HydrophobicContact CE2-CG 4.07Å; F583-M596 HydrophobicContact CG-CE 4.04Å; F583-M596 HydrophobicContact CG-CG 3.69Å; F583-M596 HydrophobicContact CG-SD 3.94Å; F583-M596 HydrophobicContact CZ-CB 4.47Å; F583-M596 HydrophobicContact CZ-CG 3.6Å; F583-Y599 HydrophobicContact CE2-CD2 4.44Å; F583-Y599 HydrophobicContact CE2-CG 4.29Å; F583-Q629 WeakPolarHBondContact O-CG 3.27Å; F583-Q629 PolarHBondContact O-NE2 2.77Å; F583-F632 AromaticContact CD2-CE1 3.72Å; F583-F632 HydrophobicContact CD2-CE1 3.72Å; F583-F632 AromaticContact CD2-CZ 3.99Å; F583-F632 HydrophobicContact CD2-CZ 3.99Å; F583-F632 HydrophobicContact CE2-CE1 4.21Å; F583-F632 AromaticContact CE2-CZ 3.99Å; F583-F632 HydrophobicContact CE2-CZ 3.99Å; F583-F632 HydrophobicContact CG-CE1 4.43Å; F583-F633 HydrophobicContact CB-CZ 4.31Å
584	N	63	Low	68.4	Low	33 Å²	33	48.4 Å²	48.4	18%	0.176	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.3	179.7	-76.1	-36.5	0	0	0	114.4	S581 Y582 F621 A625 F633	S581-N584 WeakPolarHBondContact O-CB 3.19Å; S581-N584 PolarHBondContact O-N 3.4Å; Y582-N584 PolarHBondContact O-N 3.31Å; N584-F621 WeakPolarHBondContact ND2-CD1 2.84Å; N584-A625 WeakPolarHBondContact OD1-CB 3.07Å; N584-F633 WeakPolarHBondContact OD1-CE2 3.33Å; N584-F633 WeakPolarHBondContact OD1-CZ 3.29Å
585	S	58.5	Low	69	Low	92 Å²	92	45 Å²	45	64%	0.643	22%	0.217	S	C	*	.	S	Bend	trans	-97.8	-9.7	-166.6	59.7	0	0	0	0	115.5	Y582	Y582-S585 PolarHBondContact O-OG 2.97Å
586	T	58.2	Low	69.5	Low	23 Å²	23	45.3 Å²	45.3	14%	0.141	22%	0.219	C	C	.	.	S	Bend	trans	-118.9	160.7	-160.9	53.3	0	0	0	0	116.9	W542 L588	W542-T586 HydrophobicContact CD2-CG2 3.66Å; W542-T586 HydrophobicContact CE3-CG2 3.77Å; W542-T586 HydrophobicContact CG-CG2 4.48Å; W542-T586 HydrophobicContact CH2-CG2 3.37Å; W542-T586 WeakPolarHBondContact CH2-OG1 3.39Å; W542-T586 HydrophobicContact CZ2-CG2 3.22Å; W542-T586 HydrophobicContact CZ3-CG2 3.6Å; W542-T586 WeakPolarHBondContact CZ3-OG1 3.49Å; T586-L588 PolarHBondContact O-N 3.32Å
587	Y	61.7	Low	70	Confident	197 Å²	197	49.1 Å²	49.1	77%	0.773	24%	0.239	S	C	*	.			trans	-73.6	108.4	162.9	-173.2	-90	0	0	0	108	D589	Y587-D589 PolarHBondContact O-N 3.02Å
588	L	66.3	Low	70.5	Confident	25 Å²	25	49.9 Å²	49.9	13%	0.131	24%	0.243	C	C	.	.			trans	-80	100.5	179	-62.6	171.7	0	0	0	110	F583 T586 A592 K593 M596 Q629	F583-L588 HydrophobicContact CD1-CD2 4.37Å; T586-L588 PolarHBondContact O-N 3.32Å; L588-A592 HydrophobicContact CB-CB 4.43Å; L588-A592 HydrophobicContact CD2-CB 3.81Å; L588-K593 HydrophobicContact CB-CG 4.15Å; L588-K593 WeakPolarHBondContact O-CE 3.25Å; L588-M596 HydrophobicContact CD1-CE 4.13Å; L588-M596 HydrophobicContact CD1-SD 3.4Å; L588-M596 WeakPolarHBondContact CD1-SD 3.45Å; L588-M596 HydrophobicContact CD2-SD 3.41Å; L588-M596 WeakPolarHBondContact CD2-SD 3.03Å; L588-M596 HydrophobicContact CG-SD 4.02Å; L588-Q629 HydrophobicContact CD1-CG 3.63Å
589	D	70.5	Confident	71.1	Confident	48 Å²	48	49.7 Å²	49.7	26%	0.257	24%	0.241	S	C	.	.			trans	-69.7	175.1	164.8	71.6	10.9	0	0	0	111	C543 Y587 R591 A592 K593	C543-D589 PolarHBondContact SG-OD1 3.4Å; C543-D589 VanDerWaalsContact SG-OD1 3.37Å; Y587-D589 PolarHBondContact O-N 3.02Å; D589-R591 PolarHBondContact O-N 3.22Å; D589-R591 WeakPolarHBondContact OD1-CA 3.43Å; D589-R591 WeakPolarHBondContact OD1-CB 3.4Å; D589-R591 PolarHBondContact OD1-N 3.1Å; D589-A592 PolarHBondContact O-N 3.17Å; D589-A592 WeakPolarHBondContact OD1-CB 3.4Å; D589-A592 PolarHBondContact OD1-N 3.39Å; D589-K593 WeakPolarHBondContact O-CG 3.35Å; D589-K593 PolarHBondContact O-N 3.12Å
590	E	74.8	Confident	71.4	Confident	140 Å²	140	49.6 Å²	49.6	65%	0.654	24%	0.24	S	C	*	.	H	α-helix	trans	-61.7	-28.4	-180	-68.5	-55.7	137.2	0	0	112.9	K593 K594	E590-K593 IonicContact OE1-NZ 2.84Å; E590-K593 PolarHBondContact OE1-NZ 3.39Å; E590-K593 IonicContact OE2-NZ 3.66Å; E590-K594 PolarHBondContact O-N 3.04Å; E590-K594 VanDerWaalsContact O-N 3.09Å
591	R	75.5	Confident	71.7	Confident	94 Å²	94	52.8 Å²	52.8	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-48.2	178.5	-170.5	175.9	176.8	-156.1	-5.2	110.4	C543 T544 E547 D589 K593 K594 V595	C543-R591 HydrophobicContact CB-CG 4.43Å; T544-R591 PolarHBondContact OG1-NH1 3.29Å; T544-R591 PolarHBondContact OG1-NH2 2.98Å; E547-R591 VanDerWaalsContact CD-NH2 3.3Å; E547-R591 WeakPolarHBondContact OE1-CG 3.26Å; E547-R591 IonicContact OE1-CZ 4Å; E547-R591 IonicContact OE1-NE 2.77Å; E547-R591 PolarHBondContact OE1-NE 3.01Å; E547-R591 IonicContact OE1-NH2 3.79Å; E547-R591 PolarHBondContact OE1-NH2 2.59Å; E547-R591 IonicContact OE2-CZ 2.66Å; E547-R591 IonicContact OE2-NE 2.95Å; E547-R591 IonicContact OE2-NH2 3.25Å; E547-R591 PolarHBondContact OE2-NH2 3.3Å; D589-R591 PolarHBondContact O-N 3.22Å; D589-R591 WeakPolarHBondContact OD1-CA 3.43Å; D589-R591 WeakPolarHBondContact OD1-CB 3.4Å; D589-R591 PolarHBondContact OD1-N 3.1Å; R591-K593 VanDerWaalsContact C-N 3.3Å; R591-K593 PolarHBondContact O-N 2.91Å; R591-K594 WeakPolarHBondContact O-CB 2.85Å; R591-K594 PolarHBondContact O-N 3.07Å; R591-K594 VanDerWaalsContact O-N 3.12Å; R591-V595 WeakPolarHBondContact O-CG2 3.45Å; R591-V595 PolarHBondContact O-N 3.03Å
592	A	72.1	Confident	72.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-38.3	174.4	0	0	0	0	0	112.4	L588 D589 V595 M596	L588-A592 HydrophobicContact CB-CB 4.43Å; L588-A592 HydrophobicContact CD2-CB 3.81Å; D589-A592 PolarHBondContact O-N 3.17Å; D589-A592 WeakPolarHBondContact OD1-CB 3.4Å; D589-A592 PolarHBondContact OD1-N 3.39Å; A592-V595 PolarHBondContact O-N 2.55Å; A592-M596 WeakPolarHBondContact O-CG 3.29Å; A592-M596 PolarHBondContact O-N 2.68Å
593	K	76	Confident	72.4	Confident	46 Å²	46	52.6 Å²	52.6	20%	0.2	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-43	174	-71.4	174.4	-161.2	157.3	0	112	L588 D589 E590 R591 M596 D597	L588-K593 HydrophobicContact CB-CG 4.15Å; L588-K593 WeakPolarHBondContact O-CE 3.25Å; D589-K593 WeakPolarHBondContact O-CG 3.35Å; D589-K593 PolarHBondContact O-N 3.12Å; E590-K593 IonicContact OE1-NZ 2.84Å; E590-K593 PolarHBondContact OE1-NZ 3.39Å; E590-K593 IonicContact OE2-NZ 3.66Å; R591-K593 VanDerWaalsContact C-N 3.3Å; R591-K593 PolarHBondContact O-N 2.91Å; K593-M596 WeakPolarHBondContact O-CB 3.15Å; K593-M596 PolarHBondContact O-N 3.39Å; K593-D597 PolarHBondContact O-N 3.31Å
594	K	82.4	Confident	72.6	Confident	137 Å²	137	56.6 Å²	56.6	60%	0.596	27%	0.273	S	S	*	.	H	α-helix	trans	-59.5	-47.4	175.4	-171.5	-173.6	174	-170.7	0	111	E590 R591 M596 D597 D598	E590-K594 PolarHBondContact O-N 3.04Å; E590-K594 VanDerWaalsContact O-N 3.09Å; R591-K594 WeakPolarHBondContact O-CB 2.85Å; R591-K594 PolarHBondContact O-N 3.07Å; R591-K594 VanDerWaalsContact O-N 3.12Å; K594-M596 VanDerWaalsContact C-N 3.3Å; K594-M596 PolarHBondContact O-N 3.41Å; K594-D597 PolarHBondContact O-N 3.11Å; K594-D597 VanDerWaalsContact O-N 3.09Å; K594-D598 WeakPolarHBondContact O-CB 3.42Å; K594-D598 PolarHBondContact O-N 3.25Å
595	V	77.1	Confident	73.2	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-41.2	176.9	-179.1	0	0	0	0	111.7	L546 E547 Y550 F583 R591 A592 D598 Y599	L546-V595 HydrophobicContact CB-CG1 4.34Å; E547-V595 HydrophobicContact CG-CG2 3.31Å; Y550-V595 HydrophobicContact CG-CG1 4.44Å; F583-V595 HydrophobicContact CZ-CG1 4.45Å; R591-V595 WeakPolarHBondContact O-CG2 3.45Å; R591-V595 PolarHBondContact O-N 3.03Å; A592-V595 PolarHBondContact O-N 2.55Å; V595-D598 PolarHBondContact O-N 2.87Å; V595-Y599 VanDerWaalsContact O-CB 3.31Å; V595-Y599 WeakPolarHBondContact O-CB 3.48Å; V595-Y599 PolarHBondContact O-N 3.01Å
596	M	77.5	Confident	73.9	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-47.6	173	-72.5	176.9	71.5	0	0	111.6	F583 L588 A592 K593 K594 D598 Y599 A600 Q629 F632	F583-M596 HydrophobicContact CB-CE 3.95Å; F583-M596 HydrophobicContact CB-SD 4.16Å; F583-M596 HydrophobicContact CD1-CE 4.29Å; F583-M596 HydrophobicContact CD1-CG 3.17Å; F583-M596 HydrophobicContact CD1-SD 3.56Å; F583-M596 VanDerWaalsContact CD1-SD 3.56Å; F583-M596 HydrophobicContact CD2-CG 4.1Å; F583-M596 HydrophobicContact CE1-CB 4.32Å; F583-M596 HydrophobicContact CE1-CG 3.12Å; F583-M596 HydrophobicContact CE1-SD 4.12Å; F583-M596 HydrophobicContact CE2-CG 4.07Å; F583-M596 HydrophobicContact CG-CE 4.04Å; F583-M596 HydrophobicContact CG-CG 3.69Å; F583-M596 HydrophobicContact CG-SD 3.94Å; F583-M596 HydrophobicContact CZ-CB 4.47Å; F583-M596 HydrophobicContact CZ-CG 3.6Å; L588-M596 HydrophobicContact CD1-CE 4.13Å; L588-M596 HydrophobicContact CD1-SD 3.4Å; L588-M596 WeakPolarHBondContact CD1-SD 3.45Å; L588-M596 HydrophobicContact CD2-SD 3.41Å; L588-M596 WeakPolarHBondContact CD2-SD 3.03Å; L588-M596 HydrophobicContact CG-SD 4.02Å; A592-M596 WeakPolarHBondContact O-CG 3.29Å; A592-M596 PolarHBondContact O-N 2.68Å; K593-M596 WeakPolarHBondContact O-CB 3.15Å; K593-M596 PolarHBondContact O-N 3.39Å; K594-M596 VanDerWaalsContact C-N 3.3Å; K594-M596 PolarHBondContact O-N 3.41Å; M596-D598 VanDerWaalsContact C-N 3.31Å; M596-D598 PolarHBondContact O-N 3.49Å; M596-Y599 WeakPolarHBondContact O-CB 3.46Å; M596-Y599 PolarHBondContact O-N 3.31Å; M596-Y599 VanDerWaalsContact O-N 3.17Å; M596-A600 PolarHBondContact O-N 3.15Å; M596-Q629 HydrophobicContact CE-CG 4.13Å; M596-F632 HydrophobicContact CB-CD2 4.03Å; M596-F632 HydrophobicContact CB-CE2 4.08Å; M596-F632 HydrophobicContact CB-CG 4.49Å; M596-F632 HydrophobicContact CE-CB 3.7Å; M596-F632 HydrophobicContact CE-CD1 3.36Å; M596-F632 HydrophobicContact CE-CD2 4.14Å; M596-F632 HydrophobicContact CE-CE1 3.94Å; M596-F632 HydrophobicContact CE-CG 3.45Å; M596-F632 VanDerWaalsContact CE-CG 3.45Å; M596-F632 WeakPolarHBondContact O-CE2 3.23Å
597	D	79	Confident	74.4	Confident	80 Å²	80	56.1 Å²	56.1	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-40.8	178.9	-77.2	-33.3	0	0	0	111.6	K593 K594 A600 T601 R635	K593-D597 PolarHBondContact O-N 3.31Å; K594-D597 PolarHBondContact O-N 3.11Å; K594-D597 VanDerWaalsContact O-N 3.09Å; D597-A600 PolarHBondContact O-N 2.93Å; D597-T601 WeakPolarHBondContact O-CB 3.19Å; D597-T601 WeakPolarHBondContact O-CG2 3.39Å; D597-T601 PolarHBondContact O-N 3.37Å; D597-T601 PolarHBondContact O-OG1 3.41Å; D597-R635 IonicContact OD1-NH1 3.24Å
598	D	81.2	Confident	74.9	Confident	39 Å²	39	47 Å²	47	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-40.1	174.6	-61.2	-12.5	0	0	0	110.5	Y550 K594 V595 M596 A600 T601 E602	Y550-D598 HydrophobicContact CE1-CB 4.16Å; Y550-D598 HydrophobicContact CE2-CB 4.26Å; K594-D598 WeakPolarHBondContact O-CB 3.42Å; K594-D598 PolarHBondContact O-N 3.25Å; V595-D598 PolarHBondContact O-N 2.87Å; M596-D598 VanDerWaalsContact C-N 3.31Å; M596-D598 PolarHBondContact O-N 3.49Å; D598-A600 VanDerWaalsContact C-N 3.34Å; D598-A600 PolarHBondContact O-N 2.81Å; D598-T601 WeakPolarHBondContact CA-OG1 3.42Å; D598-T601 PolarHBondContact O-N 3.33Å; D598-T601 PolarHBondContact O-OG1 2.98Å; D598-E602 HydrophobicContact CB-CG 4.49Å; D598-E602 VanDerWaalsContact O-CB 3.28Å; D598-E602 WeakPolarHBondContact O-CB 3.47Å; D598-E602 WeakPolarHBondContact O-CG 3.32Å; D598-E602 PolarHBondContact O-N 2.77Å
599	Y	77.9	Confident	75.5	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-36.9	174.2	-153.2	-86.6	0	0	0	112.3	Y550 V553 L576 L580 F583 V595 M596 I603 W605 F632	Y550-Y599 AromaticContact CD2-CD2 3.5Å; Y550-Y599 HydrophobicContact CD2-CD2 3.5Å; Y550-Y599 HydrophobicContact CD2-CE2 4.27Å; Y550-Y599 HydrophobicContact CD2-CG 4.19Å; Y550-Y599 HydrophobicContact CE2-CD2 4.49Å; Y550-Y599 HydrophobicContact CG-CD2 4.16Å; V553-Y599 HydrophobicContact CB-CE2 4.33Å; V553-Y599 HydrophobicContact CG1-CE2 4.16Å; V553-Y599 HydrophobicContact CG2-CE2 4.33Å; L576-Y599 WeakPolarHBondContact CA-OH 3.17Å; L576-Y599 HydrophobicContact CD2-CE1 4.35Å; L576-Y599 PolarHBondContact O-OH 3.43Å; L576-Y599 VanDerWaalsContact O-OH 3.04Å; L580-Y599 HydrophobicContact CD2-CD1 3.79Å; L580-Y599 HydrophobicContact CD2-CE1 3.62Å; L580-Y599 HydrophobicContact CG-CE1 3.83Å; F583-Y599 HydrophobicContact CE2-CD2 4.44Å; F583-Y599 HydrophobicContact CE2-CG 4.29Å; V595-Y599 VanDerWaalsContact O-CB 3.31Å; V595-Y599 WeakPolarHBondContact O-CB 3.48Å; V595-Y599 PolarHBondContact O-N 3.01Å; M596-Y599 WeakPolarHBondContact O-CB 3.46Å; M596-Y599 PolarHBondContact O-N 3.31Å; M596-Y599 VanDerWaalsContact O-N 3.17Å; Y599-I603 HydrophobicContact CD1-CD1 3.52Å; Y599-I603 HydrophobicContact CD2-CD1 3.73Å; Y599-I603 HydrophobicContact CE1-CD1 3.5Å; Y599-I603 HydrophobicContact CE2-CD1 3.68Å; Y599-I603 HydrophobicContact CG-CD1 3.62Å; Y599-I603 WeakPolarHBondContact O-CB 3.5Å; Y599-I603 WeakPolarHBondContact O-CD1 3.17Å; Y599-W605 HydrophobicContact CD1-CH2 4.46Å; Y599-W605 AromaticContact CD1-CZ2 3.66Å; Y599-W605 HydrophobicContact CD1-CZ2 3.66Å; Y599-W605 AromaticContact CE1-CH2 3.86Å; Y599-W605 HydrophobicContact CE1-CH2 3.86Å; Y599-W605 AromaticContact CE1-CZ2 3.49Å; Y599-W605 HydrophobicContact CE1-CZ2 3.49Å; Y599-W605 VanDerWaalsContact CE1-CZ2 3.49Å; Y599-W605 PolarHBondContact O-NE1 3.17Å; Y599-F632 HydrophobicContact CD1-CZ 4.08Å
600	A	74.3	Confident	76	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-81.7	-14	178	0	0	0	0	0	114.4	M596 D597 D598 F632 R635 V636 Q639	M596-A600 PolarHBondContact O-N 3.15Å; D597-A600 PolarHBondContact O-N 2.93Å; D598-A600 VanDerWaalsContact C-N 3.34Å; D598-A600 PolarHBondContact O-N 2.81Å; A600-F632 HydrophobicContact CB-CD2 3.69Å; A600-F632 HydrophobicContact CB-CE2 3.55Å; A600-R635 HydrophobicContact CB-CG 4.32Å; A600-V636 HydrophobicContact CB-CG2 4.09Å; A600-Q639 PolarHBondContact O-NE2 2.73Å; A600-Q639 PolarHBondContact O-OE1 2.64Å
601	T	75.7	Confident	76.3	Confident	67 Å²	67	38.8 Å²	38.8	41%	0.411	19%	0.19	S	C	.	.	H	α-helix	trans	-113.6	-38.9	-174.4	48.6	0	0	0	0	113.8	D597 D598 R635	D597-T601 WeakPolarHBondContact O-CB 3.19Å; D597-T601 WeakPolarHBondContact O-CG2 3.39Å; D597-T601 PolarHBondContact O-N 3.37Å; D597-T601 PolarHBondContact O-OG1 3.41Å; D598-T601 WeakPolarHBondContact CA-OG1 3.42Å; D598-T601 PolarHBondContact O-N 3.33Å; D598-T601 PolarHBondContact O-OG1 2.98Å; T601-R635 VanDerWaalsContact CG2-CZ 3.41Å
602	E	76.3	Confident	76.7	Confident	66 Å²	66	37.7 Å²	37.7	31%	0.308	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-20.3	-171.2	-54.6	-164.5	-169.2	0	0	112.6	Y550 R554 D598	Y550-E602 VanDerWaalsContact OH-CB 3.25Å; Y550-E602 WeakPolarHBondContact OH-CB 3.37Å; Y550-E602 PolarHBondContact OH-OE2 3.43Å; R554-E602 IonicContact CZ-OE2 3.95Å; R554-E602 IonicContact NE-OE2 2.71Å; R554-E602 IonicContact NH1-OE2 2.95Å; R554-E602 PolarHBondContact NH1-OE2 3.45Å; R554-E602 IonicContact NH2-OE2 2.69Å; R554-E602 PolarHBondContact NH2-OE2 3.34Å; D598-E602 HydrophobicContact CB-CG 4.49Å; D598-E602 VanDerWaalsContact O-CB 3.28Å; D598-E602 WeakPolarHBondContact O-CB 3.47Å; D598-E602 WeakPolarHBondContact O-CG 3.32Å; D598-E602 PolarHBondContact O-N 2.77Å
603	I	74.4	Confident	77	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.215	C	C	.	.	S	Bend	trans	-77.6	124.4	166.3	-60.1	175.6	0	0	0	107.5	Y550 V553 L576 Y599 W605	Y550-I603 HydrophobicContact CE2-CG1 4.4Å; V553-I603 HydrophobicContact CG1-CD1 3.61Å; V553-I603 HydrophobicContact CG1-CG1 4.43Å; L576-I603 HydrophobicContact CD2-CD1 3.79Å; L576-I603 HydrophobicContact CD2-CG2 3.9Å; Y599-I603 HydrophobicContact CD1-CD1 3.52Å; Y599-I603 HydrophobicContact CD2-CD1 3.73Å; Y599-I603 HydrophobicContact CE1-CD1 3.5Å; Y599-I603 HydrophobicContact CE2-CD1 3.68Å; Y599-I603 HydrophobicContact CG-CD1 3.62Å; Y599-I603 WeakPolarHBondContact O-CB 3.5Å; Y599-I603 WeakPolarHBondContact O-CD1 3.17Å; I603-W605 HydrophobicContact CB-CZ2 4.37Å; I603-W605 HydrophobicContact CD1-CZ2 4.02Å; I603-W605 HydrophobicContact CG2-CD2 3.93Å; I603-W605 HydrophobicContact CG2-CG 4.21Å; I603-W605 HydrophobicContact CG2-CZ2 4.1Å; I603-W605 PolarHBondContact O-N 3.45Å
604	K	73.1	Confident	77.2	Confident	86 Å²	86	40.7 Å²	40.7	37%	0.374	21%	0.206	S	C	.	.			trans	-77.2	70.4	178.1	-71.7	175.5	-176.1	170.4	0	110.2	I561 N606 T607	I561-K604 HydrophobicContact CB-CD 4.47Å; I561-K604 HydrophobicContact CD1-CB 3.31Å; I561-K604 HydrophobicContact CD1-CD 3.65Å; I561-K604 HydrophobicContact CD1-CG 4.07Å; I561-K604 HydrophobicContact CG2-CD 3.83Å; K604-N606 PolarHBondContact O-N 3.09Å; K604-N606 PolarHBondContact O-OD1 2.87Å; K604-T607 HydrophobicContact CB-CG2 4.27Å; K604-T607 PolarHBondContact O-N 3.17Å; K604-T607 PolarHBondContact O-OG1 2.97Å
605	W	74.3	Confident	77.4	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.011	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.7	-23.4	179.2	-67.6	103.2	0	0	0	113.7	L576 L580 Y599 I603 T607 V608 V636 Q639 L640	L576-W605 HydrophobicContact CB-CH2 3.99Å; L576-W605 HydrophobicContact CB-CZ3 4.13Å; L576-W605 HydrophobicContact CD1-CE3 4.42Å; L576-W605 HydrophobicContact CD1-CH2 4.26Å; L576-W605 HydrophobicContact CD1-CZ3 3.82Å; L576-W605 HydrophobicContact CD2-CH2 3.58Å; L576-W605 HydrophobicContact CD2-CZ2 4.05Å; L576-W605 HydrophobicContact CD2-CZ3 3.99Å; L576-W605 HydrophobicContact CG-CH2 4.16Å; L576-W605 HydrophobicContact CG-CZ3 4.22Å; L580-W605 HydrophobicContact CD1-CH2 3.75Å; L580-W605 HydrophobicContact CD1-CZ2 4.48Å; L580-W605 HydrophobicContact CD1-CZ3 4.43Å; L580-W605 HydrophobicContact CD2-CH2 4.49Å; L580-W605 HydrophobicContact CD2-CZ2 4.49Å; L580-W605 HydrophobicContact CG-CH2 4.28Å; Y599-W605 HydrophobicContact CD1-CH2 4.46Å; Y599-W605 AromaticContact CD1-CZ2 3.66Å; Y599-W605 HydrophobicContact CD1-CZ2 3.66Å; Y599-W605 AromaticContact CE1-CH2 3.86Å; Y599-W605 HydrophobicContact CE1-CH2 3.86Å; Y599-W605 AromaticContact CE1-CZ2 3.49Å; Y599-W605 HydrophobicContact CE1-CZ2 3.49Å; Y599-W605 VanDerWaalsContact CE1-CZ2 3.49Å; Y599-W605 PolarHBondContact O-NE1 3.17Å; I603-W605 HydrophobicContact CB-CZ2 4.37Å; I603-W605 HydrophobicContact CD1-CZ2 4.02Å; I603-W605 HydrophobicContact CG2-CD2 3.93Å; I603-W605 HydrophobicContact CG2-CG 4.21Å; I603-W605 HydrophobicContact CG2-CZ2 4.1Å; I603-W605 PolarHBondContact O-N 3.45Å; W605-T607 PolarHBondContact O-N 2.98Å; W605-V608 PolarHBondContact O-N 3.42Å; W605-V636 HydrophobicContact CD2-CG1 3.46Å; W605-V636 VanDerWaalsContact CD2-CG1 3.46Å; W605-V636 VanDerWaalsContact CE2-CG1 3.48Å; W605-V636 HydrophobicContact CE3-CG1 3.57Å; W605-V636 HydrophobicContact CG-CG1 4.09Å; W605-V636 HydrophobicContact CH2-CG1 3.73Å; W605-V636 HydrophobicContact CZ2-CG1 3.63Å; W605-V636 HydrophobicContact CZ2-CG2 4.15Å; W605-V636 HydrophobicContact CZ3-CG1 3.69Å; W605-Q639 CarbonylContact C-O 3.58Å; W605-Q639 VanDerWaalsContact C-O 3.28Å; W605-Q639 HydrophobicContact CB-CB 3.54Å; W605-Q639 HydrophobicContact CG-CB 4.37Å; W605-L640 HydrophobicContact CB-CD2 4.49Å; W605-L640 HydrophobicContact CE3-CD2 3.91Å
606	N	72.6	Confident	77.8	Confident	101 Å²	101	36.9 Å²	36.9	54%	0.54	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-69.4	8.3	174.3	73.7	-23.3	0	0	0	114.5	K604 Q639 R641	K604-N606 PolarHBondContact O-N 3.09Å; K604-N606 PolarHBondContact O-OD1 2.87Å; N606-Q639 WeakPolarHBondContact CA-O 2.99Å; N606-Q639 WeakPolarHBondContact CB-O 3.49Å; N606-Q639 PolarHBondContact N-O 3.36Å; N606-R641 WeakPolarHBondContact O-CD 3.39Å; N606-R641 WeakPolarHBondContact O-CG 3.34Å
607	T	69.1	Low	78	Confident	33 Å²	33	38.2 Å²	38.2	20%	0.202	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-105.7	-10.9	168.6	67.9	0	0	0	0	113.2	I561 K604 W605	I561-T607 HydrophobicContact CB-CG2 4.25Å; I561-T607 HydrophobicContact CD1-CG2 3.51Å; I561-T607 WeakPolarHBondContact CD1-OG1 3.31Å; I561-T607 HydrophobicContact CG1-CG2 3.55Å; I561-T607 VanDerWaalsContact CG1-OG1 3.3Å; I561-T607 WeakPolarHBondContact CG1-OG1 3.41Å; I561-T607 HydrophobicContact CG2-CG2 3.78Å; K604-T607 HydrophobicContact CB-CG2 4.27Å; K604-T607 PolarHBondContact O-N 3.17Å; K604-T607 PolarHBondContact O-OG1 2.97Å; W605-T607 PolarHBondContact O-N 2.98Å
608	V	73.7	Confident	78.4	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.036	18%	0.182	C	C	.	.			trans	-96.1	122.3	-175.6	-177.6	0	0	0	0	110.2	L576 W605 I614 L640 R641	L576-V608 HydrophobicContact CD1-CG2 4.1Å; W605-V608 PolarHBondContact O-N 3.42Å; V608-I614 HydrophobicContact CG1-CD1 3.59Å; V608-L640 HydrophobicContact CB-CD2 4.01Å; V608-L640 HydrophobicContact CG1-CD2 4.18Å; V608-R641 WeakPolarHBondContact O-CB 3.48Å; V608-R641 PolarHBondContact O-N 3.33Å
609	V	78.6	Confident	78.7	Confident	11 Å²	11	33.9 Å²	33.9	7%	0.067	18%	0.178	C	C	.	.			trans	-81.7	126.9	171.4	-175.9	0	0	0	0	109	T611 I614 R641 E644 F645	V609-T611 PolarHBondContact O-N 3.42Å; V609-T611 VanDerWaalsContact O-N 3.14Å; V609-I614 WeakPolarHBondContact O-CD1 3.45Å; V609-R641 HydrophobicContact CG2-CB 4.21Å; V609-E644 HydrophobicContact CG2-CB 4.21Å; V609-E644 HydrophobicContact CG2-CG 4.1Å; V609-E644 WeakPolarHBondContact CG2-OE2 3.38Å; V609-F645 HydrophobicContact CG1-CB 3.92Å
610	P	81.3	Confident	78.9	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.026	20%	0.201	C	C	.	.			trans	-54.4	114.8	174.2	-25.5	30.7	0	0	0	113	I615 L640 W642 F645	P610-I615 HydrophobicContact CB-CD1 4.4Å; P610-I615 HydrophobicContact CB-CG1 4.34Å; P610-L640 HydrophobicContact CG-CB 3.82Å; P610-L640 HydrophobicContact CG-CD1 4.05Å; P610-W642 HydrophobicContact CB-CH2 4.37Å; P610-W642 HydrophobicContact CB-CZ3 4.27Å; P610-W642 HydrophobicContact CG-CD2 3.94Å; P610-W642 HydrophobicContact CG-CE3 3.99Å; P610-W642 HydrophobicContact CG-CG 4.48Å; P610-W642 HydrophobicContact CG-CH2 4.28Å; P610-W642 HydrophobicContact CG-CZ2 4.23Å; P610-W642 HydrophobicContact CG-CZ3 4.13Å; P610-F645 HydrophobicContact CB-CB 4.47Å; P610-F645 HydrophobicContact CB-CD2 4.14Å; P610-F645 HydrophobicContact CB-CG 4.26Å; P610-F645 HydrophobicContact CG-CB 4.26Å; P610-F645 HydrophobicContact CG-CG 4.48Å; P610-F645 WeakPolarHBondContact O-CD2 3.14Å; P610-F645 WeakPolarHBondContact O-CE2 3.48Å
611	T	80.6	Confident	79.4	Confident	25 Å²	25	37.9 Å²	37.9	15%	0.153	20%	0.204	C	C	.	.			trans	-94.6	166.4	166.9	81.5	0	0	0	0	110.9	L573 V609 E613 I614 I615	L573-T611 HydrophobicContact CD2-CG2 4.4Å; L573-T611 WeakPolarHBondContact CD2-OG1 3.5Å; V609-T611 PolarHBondContact O-N 3.42Å; V609-T611 VanDerWaalsContact O-N 3.14Å; T611-E613 PolarHBondContact O-N 3.42Å; T611-E613 PolarHBondContact OG1-N 2.97Å; T611-I614 HydrophobicContact CG2-CD1 4.39Å; T611-I614 HydrophobicContact CG2-CG1 4.37Å; T611-I614 WeakPolarHBondContact O-CB 3.47Å; T611-I614 PolarHBondContact O-N 2.74Å; T611-I614 VanDerWaalsContact O-N 3.13Å; T611-I614 WeakPolarHBondContact OG1-CG1 3.39Å; T611-I615 WeakPolarHBondContact O-CD1 3.25Å; T611-I615 VanDerWaalsContact O-CG1 3.29Å; T611-I615 WeakPolarHBondContact O-CG1 3.3Å; T611-I615 PolarHBondContact O-N 3.43Å
612	L	83.4	Confident	79.8	Confident	71 Å²	71	35 Å²	35	37%	0.372	19%	0.186	S	C	.	.	H	α-helix	trans	-55.9	-36.3	176.2	-179.4	61.1	0	0	0	112.3	I615 N616 V659 R662	L612-I615 PolarHBondContact O-N 3.41Å; L612-N616 WeakPolarHBondContact O-CB 3.4Å; L612-N616 VanDerWaalsContact O-CG 3.26Å; L612-N616 PolarHBondContact O-N 3.23Å; L612-N616 PolarHBondContact O-ND2 3.08Å; L612-V659 HydrophobicContact CB-CG1 4.2Å; L612-V659 HydrophobicContact CB-CG2 4.39Å; L612-V659 HydrophobicContact CD1-CG1 4.41Å; L612-V659 HydrophobicContact CD1-CG2 4.45Å; L612-V659 HydrophobicContact CD2-CG2 4.47Å; L612-R662 HydrophobicContact CD1-CB 4.05Å; L612-R662 HydrophobicContact CD1-CG 3.94Å
613	E	79	Confident	80	Confident	107 Å²	107	34.7 Å²	34.7	50%	0.5	20%	0.195	S	C	.	.	H	α-helix	trans	-65.7	-45.3	177.2	-63	179.8	176.6	0	0	111.2	L573 T611 I615 N616 C617	L573-E613 HydrophobicContact CD2-CB 4.44Å; T611-E613 PolarHBondContact O-N 3.42Å; T611-E613 PolarHBondContact OG1-N 2.97Å; E613-I615 VanDerWaalsContact C-N 3.3Å; E613-I615 PolarHBondContact O-N 3.31Å; E613-N616 PolarHBondContact O-N 3.44Å; E613-C617 WeakPolarHBondContact O-CB 3.46Å; E613-C617 PolarHBondContact O-N 2.61Å; E613-C617 PolarHBondContact O-SG 3.28Å; E613-C617 VanDerWaalsContact O-SG 3.34Å
614	I	80	Confident	80.2	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-53.9	-52.4	173.6	-48.9	-156.1	0	0	0	109.8	L573 V608 V609 T611 N616 C617 F618 L640	L573-I614 HydrophobicContact CD1-CB 4.31Å; L573-I614 HydrophobicContact CD1-CD1 3.21Å; L573-I614 HydrophobicContact CD1-CG1 3.32Å; L573-I614 HydrophobicContact CD1-CG2 4.46Å; L573-I614 HydrophobicContact CD2-CD1 3.69Å; L573-I614 HydrophobicContact CD2-CG1 3.29Å; L573-I614 HydrophobicContact CG-CD1 3.94Å; L573-I614 HydrophobicContact CG-CG1 3.81Å; V608-I614 HydrophobicContact CG1-CD1 3.59Å; V609-I614 WeakPolarHBondContact O-CD1 3.45Å; T611-I614 HydrophobicContact CG2-CD1 4.39Å; T611-I614 HydrophobicContact CG2-CG1 4.37Å; T611-I614 WeakPolarHBondContact O-CB 3.47Å; T611-I614 PolarHBondContact O-N 2.74Å; T611-I614 VanDerWaalsContact O-N 3.13Å; T611-I614 WeakPolarHBondContact OG1-CG1 3.39Å; I614-N616 PolarHBondContact O-N 3.18Å; I614-C617 PolarHBondContact O-N 3.14Å; I614-F618 HydrophobicContact CG2-CD2 3.56Å; I614-F618 HydrophobicContact CG2-CE2 3.58Å; I614-F618 VanDerWaalsContact O-CD2 3.3Å; I614-F618 WeakPolarHBondContact O-CD2 3.3Å; I614-F618 PolarHBondContact O-N 3.14Å; I614-L640 HydrophobicContact CG2-CD1 4.09Å
615	I	86.9	Confident	80.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-49.2	-174.7	-68.1	162.9	0	0	0	110.1	P610 T611 L612 E613 C617 F618 I619 F645 V659 R662 A663 L666	P610-I615 HydrophobicContact CB-CD1 4.4Å; P610-I615 HydrophobicContact CB-CG1 4.34Å; T611-I615 WeakPolarHBondContact O-CD1 3.25Å; T611-I615 VanDerWaalsContact O-CG1 3.29Å; T611-I615 WeakPolarHBondContact O-CG1 3.3Å; T611-I615 PolarHBondContact O-N 3.43Å; L612-I615 PolarHBondContact O-N 3.41Å; E613-I615 VanDerWaalsContact C-N 3.3Å; E613-I615 PolarHBondContact O-N 3.31Å; I615-C617 PolarHBondContact O-N 3.21Å; I615-F618 PolarHBondContact O-N 3.49Å; I615-I619 HydrophobicContact CG2-CD1 3.99Å; I615-I619 VanDerWaalsContact O-CG1 3.3Å; I615-I619 WeakPolarHBondContact O-CG1 3.27Å; I615-I619 PolarHBondContact O-N 3.42Å; I615-F645 HydrophobicContact CD1-CE2 4.09Å; I615-F645 HydrophobicContact CD1-CZ 4.09Å; I615-V659 HydrophobicContact CD1-CG1 4.12Å; I615-R662 VanDerWaalsContact CG2-C 3.43Å; I615-R662 HydrophobicContact CG2-CB 3.76Å; I615-R662 VanDerWaalsContact CG2-O 3.26Å; I615-R662 WeakPolarHBondContact CG2-O 3.05Å; I615-A663 HydrophobicContact CD1-CB 3.87Å; I615-L666 HydrophobicContact CG1-CD2 4.42Å; I615-L666 HydrophobicContact CG2-CB 4.11Å; I615-L666 HydrophobicContact CG2-CD2 4.38Å
616	N	85.4	Confident	80.5	Confident	62 Å²	62	41 Å²	41	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-40.5	178.8	-72.7	-29.4	0	0	0	112.4	L612 E613 I614 I619 S620	L612-N616 WeakPolarHBondContact O-CB 3.4Å; L612-N616 VanDerWaalsContact O-CG 3.26Å; L612-N616 PolarHBondContact O-N 3.23Å; L612-N616 PolarHBondContact O-ND2 3.08Å; E613-N616 PolarHBondContact O-N 3.44Å; I614-N616 PolarHBondContact O-N 3.18Å; N616-I619 PolarHBondContact O-N 3.37Å; N616-S620 PolarHBondContact O-N 3.23Å; N616-S620 VanDerWaalsContact O-N 3.11Å
617	C	81.9	Confident	80.5	Confident	36 Å²	36	44.6 Å²	44.6	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-47	177	-75.8	0	0	0	0	112.1	I577 E613 I614 I615 I619 S620 F621	I577-C617 HydrophobicContact CD1-CB 4.04Å; I577-C617 HydrophobicContact CG1-CB 4.32Å; I577-C617 HydrophobicContact CG2-CB 3.97Å; E613-C617 WeakPolarHBondContact O-CB 3.46Å; E613-C617 PolarHBondContact O-N 2.61Å; E613-C617 PolarHBondContact O-SG 3.28Å; E613-C617 VanDerWaalsContact O-SG 3.34Å; I614-C617 PolarHBondContact O-N 3.14Å; I615-C617 PolarHBondContact O-N 3.21Å; C617-I619 PolarHBondContact O-N 3.25Å; C617-S620 WeakPolarHBondContact O-CB 3.23Å; C617-S620 PolarHBondContact O-N 2.85Å; C617-F621 HydrophobicContact CB-CE2 4.29Å; C617-F621 HydrophobicContact CB-CZ 4.36Å; C617-F621 WeakPolarHBondContact O-CD1 3.11Å; C617-F621 WeakPolarHBondContact O-CG 2.96Å; C617-F621 PolarHBondContact O-N 3.34Å
618	F	86.8	Confident	80.8	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-33.9	178.6	-83.4	-78.7	0	0	0	113.2	L580 I614 I615 S620 F621 I622 F633 V636 V637 L666	L580-F618 HydrophobicContact CD1-CE1 3.8Å; L580-F618 HydrophobicContact CD1-CE2 4.15Å; L580-F618 HydrophobicContact CD1-CZ 3.33Å; I614-F618 HydrophobicContact CG2-CD2 3.56Å; I614-F618 HydrophobicContact CG2-CE2 3.58Å; I614-F618 VanDerWaalsContact O-CD2 3.3Å; I614-F618 WeakPolarHBondContact O-CD2 3.3Å; I614-F618 PolarHBondContact O-N 3.14Å; I615-F618 PolarHBondContact O-N 3.49Å; F618-S620 VanDerWaalsContact C-N 3.31Å; F618-S620 PolarHBondContact O-N 3.17Å; F618-F621 HydrophobicContact CD1-CD2 4.44Å; F618-F621 PolarHBondContact O-N 3.42Å; F618-I622 WeakPolarHBondContact O-CB 3.33Å; F618-I622 VanDerWaalsContact O-CG1 3.28Å; F618-I622 WeakPolarHBondContact O-CG1 3.33Å; F618-I622 PolarHBondContact O-N 2.93Å; F618-F633 HydrophobicContact CD1-CB 4.2Å; F618-F633 HydrophobicContact CD1-CD1 4.44Å; F618-F633 HydrophobicContact CE1-CB 4.32Å; F618-F633 HydrophobicContact CE1-CD1 4.14Å; F618-V636 HydrophobicContact CE1-CB 4.17Å; F618-V636 HydrophobicContact CE1-CG1 3.94Å; F618-V636 HydrophobicContact CZ-CB 4.24Å; F618-V636 HydrophobicContact CZ-CG1 3.5Å; F618-V636 VanDerWaalsContact CZ-CG1 3.5Å; F618-V637 HydrophobicContact CB-CG2 4.09Å; F618-V637 HydrophobicContact CD1-CG2 3.41Å; F618-V637 VanDerWaalsContact CD1-CG2 3.41Å; F618-V637 HydrophobicContact CD2-CG2 4.26Å; F618-V637 HydrophobicContact CE1-CG2 3.8Å; F618-V637 HydrophobicContact CG-CG2 3.67Å; F618-V637 HydrophobicContact CZ-CG2 4.38Å; F618-L666 HydrophobicContact CB-CD1 3.59Å; F618-L666 HydrophobicContact CB-CD2 3.97Å; F618-L666 HydrophobicContact CB-CG 4.47Å
619	I	86.4	Confident	81	Confident	26 Å²	26	49.6 Å²	49.6	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-47.5	171.1	-70.8	169	0	0	0	109.8	I615 N616 C617 A623 E665 L666	I615-I619 HydrophobicContact CG2-CD1 3.99Å; I615-I619 VanDerWaalsContact O-CG1 3.3Å; I615-I619 WeakPolarHBondContact O-CG1 3.27Å; I615-I619 PolarHBondContact O-N 3.42Å; N616-I619 PolarHBondContact O-N 3.37Å; C617-I619 PolarHBondContact O-N 3.25Å; I619-A623 VanDerWaalsContact O-CB 3.27Å; I619-A623 WeakPolarHBondContact O-CB 3.36Å; I619-A623 PolarHBondContact O-N 2.96Å; I619-E665 HydrophobicContact CD1-CB 4.14Å; I619-L666 HydrophobicContact CD1-CB 4.27Å; I619-L666 HydrophobicContact CG1-CB 3.89Å; I619-L666 HydrophobicContact CG1-CD1 4.16Å
620	S	84	Confident	81.2	Confident	70 Å²	70	51.1 Å²	51.1	49%	0.49	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-42.9	177.4	-174.2	0	0	0	0	112.6	N616 C617 F618 A623 S624	N616-S620 PolarHBondContact O-N 3.23Å; N616-S620 VanDerWaalsContact O-N 3.11Å; C617-S620 WeakPolarHBondContact O-CB 3.23Å; C617-S620 PolarHBondContact O-N 2.85Å; F618-S620 VanDerWaalsContact C-N 3.31Å; F618-S620 PolarHBondContact O-N 3.17Å; S620-A623 PolarHBondContact O-N 3.38Å; S620-S624 WeakPolarHBondContact O-CB 3.3Å; S620-S624 PolarHBondContact O-N 3.3Å; S620-S624 PolarHBondContact O-OG 3.42Å
621	F	83	Confident	81.3	Confident	16 Å²	16	53 Å²	53	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-49.4	178.9	-64.1	-16.1	0	0	0	111.7	I577 L580 N584 C617 F618 A623 S624 A625 F633	I577-F621 HydrophobicContact CG2-CE2 4.28Å; I577-F621 HydrophobicContact CG2-CZ 3.91Å; L580-F621 HydrophobicContact CB-CD2 4.13Å; L580-F621 HydrophobicContact CB-CE2 3.6Å; L580-F621 HydrophobicContact CB-CZ 4.38Å; L580-F621 HydrophobicContact CD1-CE2 4.48Å; N584-F621 WeakPolarHBondContact ND2-CD1 2.84Å; C617-F621 HydrophobicContact CB-CE2 4.29Å; C617-F621 HydrophobicContact CB-CZ 4.36Å; C617-F621 WeakPolarHBondContact O-CD1 3.11Å; C617-F621 WeakPolarHBondContact O-CG 2.96Å; C617-F621 PolarHBondContact O-N 3.34Å; F618-F621 HydrophobicContact CD1-CD2 4.44Å; F618-F621 PolarHBondContact O-N 3.42Å; F621-A623 PolarHBondContact O-N 3.08Å; F621-S624 PolarHBondContact O-N 3.39Å; F621-S624 PolarHBondContact O-OG 3.34Å; F621-A625 WeakPolarHBondContact O-CB 3.22Å; F621-A625 PolarHBondContact O-N 2.98Å; F621-F633 HydrophobicContact CB-CD1 4.36Å; F621-F633 HydrophobicContact CB-CD2 4.04Å; F621-F633 HydrophobicContact CB-CE1 4.27Å; F621-F633 HydrophobicContact CB-CE2 3.97Å; F621-F633 HydrophobicContact CB-CG 4.26Å; F621-F633 HydrophobicContact CB-CZ 4.08Å; F621-F633 HydrophobicContact CD2-CD1 4.36Å; F621-F633 HydrophobicContact CD2-CE1 4.08Å; F621-F633 HydrophobicContact CD2-CZ 4.5Å; F621-F633 HydrophobicContact CG-CE1 4.41Å; F621-F633 HydrophobicContact CG-CZ 4.4Å
622	I	84.3	Confident	81.4	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-32.5	179.2	-65.8	168.4	0	0	0	111.5	F618 K630 F633 L666 C670	F618-I622 WeakPolarHBondContact O-CB 3.33Å; F618-I622 VanDerWaalsContact O-CG1 3.28Å; F618-I622 WeakPolarHBondContact O-CG1 3.33Å; F618-I622 PolarHBondContact O-N 2.93Å; I622-K630 WeakPolarHBondContact O-CE 3.44Å; I622-K630 PolarHBondContact O-NZ 3.31Å; I622-F633 HydrophobicContact CG1-CB 4.02Å; I622-L666 HydrophobicContact CD1-CD1 3.66Å; I622-C670 VanDerWaalsContact CD1-SG 3.58Å
623	A	80.9	Confident	81.5	Confident	60 Å²	60	49 Å²	49	50%	0.496	25%	0.253	S	S	.	.	H	α-helix	trans	-67.8	-44.5	176.1	0	0	0	0	0	112.6	I619 S620 F621	I619-A623 VanDerWaalsContact O-CB 3.27Å; I619-A623 WeakPolarHBondContact O-CB 3.36Å; I619-A623 PolarHBondContact O-N 2.96Å; S620-A623 PolarHBondContact O-N 3.38Å; F621-A623 PolarHBondContact O-N 3.08Å
624	S	77.9	Confident	81.9	Confident	75 Å²	75	43.9 Å²	43.9	52%	0.524	23%	0.229	S	C	.	.	H	α-helix	trans	-87.9	-22	-173.9	57	0	0	0	0	115.1	S620 F621	S620-S624 WeakPolarHBondContact O-CB 3.3Å; S620-S624 PolarHBondContact O-N 3.3Å; S620-S624 PolarHBondContact O-OG 3.42Å; F621-S624 PolarHBondContact O-N 3.39Å; F621-S624 PolarHBondContact O-OG 3.34Å
625	A	76.4	Confident	82.3	Confident	9 Å²	9	47.5 Å²	47.5	7%	0.074	24%	0.242	C	C	.	.			trans	-68.2	153.6	-174.6	0	0	0	0	0	115.2	N584 F621 Q629 K630 F633	N584-A625 WeakPolarHBondContact OD1-CB 3.07Å; F621-A625 WeakPolarHBondContact O-CB 3.22Å; F621-A625 PolarHBondContact O-N 2.98Å; A625-Q629 HydrophobicContact CB-CB 3.77Å; A625-K630 HydrophobicContact CB-CG 3.72Å; A625-K630 WeakPolarHBondContact O-CE 3.46Å; A625-F633 HydrophobicContact CB-CD2 4Å; A625-F633 HydrophobicContact CB-CE2 3.74Å
626	K	77.7	Confident	82.1	Confident	139 Å²	139	47.5 Å²	47.5	60%	0.604	24%	0.242	S	C	*	.			trans	-76.7	164.8	164.8	-63.5	177.7	-178.5	168.6	0	111.1	K628 Q629 K630	K626-K628 PolarHBondContact O-N 3.23Å; K626-K628 VanDerWaalsContact O-N 3.17Å; K626-Q629 WeakPolarHBondContact O-CB 2.88Å; K626-Q629 PolarHBondContact O-N 3.05Å; K626-K630 PolarHBondContact O-N 2.92Å
627	R	73	Confident	82.3	Confident	177 Å²	177	44.5 Å²	44.5	67%	0.668	23%	0.227	S	C	*	.	H	α-helix	trans	-42.4	-53.7	-175.3	-158.9	-178	175.9	-178.7	-6.6	114.8	K630 D675	R627-K630 PolarHBondContact O-N 2.96Å; R627-D675 WeakPolarHBondContact CD-OD2 3.38Å; R627-D675 WeakPolarHBondContact CG-OD2 3.4Å; R627-D675 IonicContact CZ-OD1 3.91Å; R627-D675 IonicContact CZ-OD2 3.63Å; R627-D675 IonicContact NE-OD1 2.9Å; R627-D675 PolarHBondContact NE-OD1 3.28Å; R627-D675 IonicContact NE-OD2 3.44Å; R627-D675 PolarHBondContact NE-OD2 3.48Å; R627-D675 IonicContact NH2-OD1 2.59Å; R627-D675 PolarHBondContact NH2-OD1 3.06Å
628	K	74.5	Confident	82.6	Confident	141 Å²	141	43.9 Å²	43.9	61%	0.613	22%	0.222	S	C	*	.	H	α-helix	trans	-68.1	-38.1	-178.2	-68.4	-171.2	176.1	-172.4	0	113.4	K626 K630 V631 F632	K626-K628 PolarHBondContact O-N 3.23Å; K626-K628 VanDerWaalsContact O-N 3.17Å; K628-K630 VanDerWaalsContact C-N 3.32Å; K628-K630 PolarHBondContact O-N 3.16Å; K628-V631 PolarHBondContact O-N 3.29Å; K628-F632 PolarHBondContact O-N 3.12Å
629	Q	78.3	Confident	82.6	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-36.5	177.9	-69.9	153.4	-15.5	0	0	111.1	F583 L588 M596 A625 K626 V631 F632 F633	F583-Q629 WeakPolarHBondContact O-CG 3.27Å; F583-Q629 PolarHBondContact O-NE2 2.77Å; L588-Q629 HydrophobicContact CD1-CG 3.63Å; M596-Q629 HydrophobicContact CE-CG 4.13Å; A625-Q629 HydrophobicContact CB-CB 3.77Å; K626-Q629 WeakPolarHBondContact O-CB 2.88Å; K626-Q629 PolarHBondContact O-N 3.05Å; Q629-V631 PolarHBondContact O-N 2.98Å; Q629-F632 WeakPolarHBondContact O-CB 3.12Å; Q629-F632 PolarHBondContact O-N 3.39Å; Q629-F633 HydrophobicContact CB-CD2 4.47Å; Q629-F633 HydrophobicContact CB-CE2 3.96Å; Q629-F633 WeakPolarHBondContact O-CD2 3.35Å; Q629-F633 WeakPolarHBondContact O-CG 2.95Å; Q629-F633 PolarHBondContact O-N 3.02Å
630	K	83.4	Confident	82.5	Confident	43 Å²	43	45.7 Å²	45.7	19%	0.187	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-45.3	175	-65.6	-173.9	-169.9	-141.7	0	112.5	I622 A625 K626 R627 K628 F632 F633 I634	I622-K630 WeakPolarHBondContact O-CE 3.44Å; I622-K630 PolarHBondContact O-NZ 3.31Å; A625-K630 HydrophobicContact CB-CG 3.72Å; A625-K630 WeakPolarHBondContact O-CE 3.46Å; K626-K630 PolarHBondContact O-N 2.92Å; R627-K630 PolarHBondContact O-N 2.96Å; K628-K630 VanDerWaalsContact C-N 3.32Å; K628-K630 PolarHBondContact O-N 3.16Å; K630-F632 VanDerWaalsContact C-N 3.29Å; K630-F632 PolarHBondContact O-N 2.96Å; K630-F633 PolarHBondContact O-N 3.24Å; K630-I634 WeakPolarHBondContact O-CD1 3.37Å; K630-I634 WeakPolarHBondContact O-CG1 3.36Å; K630-I634 PolarHBondContact O-N 3.18Å
631	V	82.4	Confident	82.6	Confident	43 Å²	43	47.1 Å²	47.1	26%	0.261	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-43	177.7	-179.8	0	0	0	0	110.6	K628 Q629 I634 R635 D675	K628-V631 PolarHBondContact O-N 3.29Å; Q629-V631 PolarHBondContact O-N 2.98Å; V631-I634 PolarHBondContact O-N 3.43Å; V631-R635 PolarHBondContact O-N 3.09Å; V631-D675 HydrophobicContact CG2-CB 3.48Å; V631-D675 VanDerWaalsContact CG2-CB 3.48Å
632	F	83.9	Confident	82.9	Confident	11 Å²	11	46.5 Å²	46.5	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-49.1	174.5	162.5	-101.1	0	0	0	112.5	L580 F583 M596 Y599 A600 K628 Q629 K630 I634 R635 V636	L580-F632 HydrophobicContact CD2-CE1 3.38Å; L580-F632 HydrophobicContact CD2-CZ 3.4Å; F583-F632 AromaticContact CD2-CE1 3.72Å; F583-F632 HydrophobicContact CD2-CE1 3.72Å; F583-F632 AromaticContact CD2-CZ 3.99Å; F583-F632 HydrophobicContact CD2-CZ 3.99Å; F583-F632 HydrophobicContact CE2-CE1 4.21Å; F583-F632 AromaticContact CE2-CZ 3.99Å; F583-F632 HydrophobicContact CE2-CZ 3.99Å; F583-F632 HydrophobicContact CG-CE1 4.43Å; M596-F632 HydrophobicContact CB-CD2 4.03Å; M596-F632 HydrophobicContact CB-CE2 4.08Å; M596-F632 HydrophobicContact CB-CG 4.49Å; M596-F632 HydrophobicContact CE-CB 3.7Å; M596-F632 HydrophobicContact CE-CD1 3.36Å; M596-F632 HydrophobicContact CE-CD2 4.14Å; M596-F632 HydrophobicContact CE-CE1 3.94Å; M596-F632 HydrophobicContact CE-CG 3.45Å; M596-F632 VanDerWaalsContact CE-CG 3.45Å; M596-F632 WeakPolarHBondContact O-CE2 3.23Å; Y599-F632 HydrophobicContact CD1-CZ 4.08Å; A600-F632 HydrophobicContact CB-CD2 3.69Å; A600-F632 HydrophobicContact CB-CE2 3.55Å; K628-F632 PolarHBondContact O-N 3.12Å; Q629-F632 WeakPolarHBondContact O-CB 3.12Å; Q629-F632 PolarHBondContact O-N 3.39Å; K630-F632 VanDerWaalsContact C-N 3.29Å; K630-F632 PolarHBondContact O-N 2.96Å; F632-I634 VanDerWaalsContact C-N 3.33Å; F632-I634 PolarHBondContact O-N 3.3Å; F632-R635 WeakPolarHBondContact O-CB 3.12Å; F632-R635 PolarHBondContact O-N 3.4Å; F632-V636 HydrophobicContact CE2-CG2 4.07Å; F632-V636 HydrophobicContact CZ-CG2 4.18Å; F632-V636 PolarHBondContact O-N 3.25Å; F632-V636 VanDerWaalsContact O-N 3.1Å
633	F	86.3	Confident	83.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-39.7	178	-64.7	-51.5	0	0	0	112.3	L580 F583 N584 F618 F621 I622 A625 Q629 K630 R635 V636 V637	L580-F633 HydrophobicContact CB-CE1 4.05Å; L580-F633 HydrophobicContact CD2-CD1 4.27Å; L580-F633 HydrophobicContact CD2-CE1 4.04Å; F583-F633 HydrophobicContact CB-CZ 4.31Å; N584-F633 WeakPolarHBondContact OD1-CE2 3.33Å; N584-F633 WeakPolarHBondContact OD1-CZ 3.29Å; F618-F633 HydrophobicContact CD1-CB 4.2Å; F618-F633 HydrophobicContact CD1-CD1 4.44Å; F618-F633 HydrophobicContact CE1-CB 4.32Å; F618-F633 HydrophobicContact CE1-CD1 4.14Å; F621-F633 HydrophobicContact CB-CD1 4.36Å; F621-F633 HydrophobicContact CB-CD2 4.04Å; F621-F633 HydrophobicContact CB-CE1 4.27Å; F621-F633 HydrophobicContact CB-CE2 3.97Å; F621-F633 HydrophobicContact CB-CG 4.26Å; F621-F633 HydrophobicContact CB-CZ 4.08Å; F621-F633 HydrophobicContact CD2-CD1 4.36Å; F621-F633 HydrophobicContact CD2-CE1 4.08Å; F621-F633 HydrophobicContact CD2-CZ 4.5Å; F621-F633 HydrophobicContact CG-CE1 4.41Å; F621-F633 HydrophobicContact CG-CZ 4.4Å; I622-F633 HydrophobicContact CG1-CB 4.02Å; A625-F633 HydrophobicContact CB-CD2 4Å; A625-F633 HydrophobicContact CB-CE2 3.74Å; Q629-F633 HydrophobicContact CB-CD2 4.47Å; Q629-F633 HydrophobicContact CB-CE2 3.96Å; Q629-F633 WeakPolarHBondContact O-CD2 3.35Å; Q629-F633 WeakPolarHBondContact O-CG 2.95Å; Q629-F633 PolarHBondContact O-N 3.02Å; K630-F633 PolarHBondContact O-N 3.24Å; F633-R635 VanDerWaalsContact C-N 3.31Å; F633-R635 PolarHBondContact O-N 2.92Å; F633-V636 PolarHBondContact O-N 2.93Å; F633-V637 VanDerWaalsContact O-CG2 3.25Å; F633-V637 WeakPolarHBondContact O-CG2 3.16Å; F633-V637 PolarHBondContact O-N 3.45Å
634	I	87	Confident	83.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.5	-67.4	163.5	0	0	0	110.6	K630 V631 F632 V636 V637 V638 C670 C673 A676 H679 L683	K630-I634 WeakPolarHBondContact O-CD1 3.37Å; K630-I634 WeakPolarHBondContact O-CG1 3.36Å; K630-I634 PolarHBondContact O-N 3.18Å; V631-I634 PolarHBondContact O-N 3.43Å; F632-I634 VanDerWaalsContact C-N 3.33Å; F632-I634 PolarHBondContact O-N 3.3Å; I634-V636 VanDerWaalsContact C-N 3.3Å; I634-V636 PolarHBondContact O-N 3.45Å; I634-V637 PolarHBondContact O-N 2.91Å; I634-V638 HydrophobicContact CG2-CG2 4.41Å; I634-V638 VanDerWaalsContact O-CG2 3.3Å; I634-V638 WeakPolarHBondContact O-CG2 3.44Å; I634-V638 PolarHBondContact O-N 3.19Å; I634-C670 HydrophobicContact CG1-CB 4.03Å; I634-C670 HydrophobicContact CG2-CB 4.31Å; I634-C673 HydrophobicContact CD1-CB 3.77Å; I634-A676 HydrophobicContact CD1-CB 3.98Å; I634-H679 HydrophobicContact CG2-CB 4.18Å; I634-L683 HydrophobicContact CG2-CD1 4.32Å
635	R	86.8	Confident	83.8	Confident	78 Å²	78	46.5 Å²	46.5	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-41.3	176.4	-177	177.4	-175.7	179	11.7	112.1	D597 A600 T601 V631 F632 F633 Q639	D597-R635 IonicContact OD1-NH1 3.24Å; A600-R635 HydrophobicContact CB-CG 4.32Å; T601-R635 VanDerWaalsContact CG2-CZ 3.41Å; V631-R635 PolarHBondContact O-N 3.09Å; F632-R635 WeakPolarHBondContact O-CB 3.12Å; F632-R635 PolarHBondContact O-N 3.4Å; F633-R635 VanDerWaalsContact C-N 3.31Å; F633-R635 PolarHBondContact O-N 2.92Å; R635-Q639 WeakPolarHBondContact O-CG 3.25Å; R635-Q639 PolarHBondContact O-NE2 3.23Å
636	V	84.7	Confident	84.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-48.4	176.2	173.5	0	0	0	0	111	A600 W605 F618 F632 F633 I634 V638 Q639	A600-V636 HydrophobicContact CB-CG2 4.09Å; W605-V636 HydrophobicContact CD2-CG1 3.46Å; W605-V636 VanDerWaalsContact CD2-CG1 3.46Å; W605-V636 VanDerWaalsContact CE2-CG1 3.48Å; W605-V636 HydrophobicContact CE3-CG1 3.57Å; W605-V636 HydrophobicContact CG-CG1 4.09Å; W605-V636 HydrophobicContact CH2-CG1 3.73Å; W605-V636 HydrophobicContact CZ2-CG1 3.63Å; W605-V636 HydrophobicContact CZ2-CG2 4.15Å; W605-V636 HydrophobicContact CZ3-CG1 3.69Å; F618-V636 HydrophobicContact CE1-CB 4.17Å; F618-V636 HydrophobicContact CE1-CG1 3.94Å; F618-V636 HydrophobicContact CZ-CB 4.24Å; F618-V636 HydrophobicContact CZ-CG1 3.5Å; F618-V636 VanDerWaalsContact CZ-CG1 3.5Å; F632-V636 HydrophobicContact CE2-CG2 4.07Å; F632-V636 HydrophobicContact CZ-CG2 4.18Å; F632-V636 PolarHBondContact O-N 3.25Å; F632-V636 VanDerWaalsContact O-N 3.1Å; F633-V636 PolarHBondContact O-N 2.93Å; I634-V636 VanDerWaalsContact C-N 3.3Å; I634-V636 PolarHBondContact O-N 3.45Å; V636-V638 PolarHBondContact O-N 3.21Å; V636-Q639 PolarHBondContact O-N 3.34Å
637	V	88.2	Confident	84.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.4	-41	179.9	169.1	0	0	0	0	111.7	F618 F633 I634 Q639 L640 W642 L666	F618-V637 HydrophobicContact CB-CG2 4.09Å; F618-V637 HydrophobicContact CD1-CG2 3.41Å; F618-V637 VanDerWaalsContact CD1-CG2 3.41Å; F618-V637 HydrophobicContact CD2-CG2 4.26Å; F618-V637 HydrophobicContact CE1-CG2 3.8Å; F618-V637 HydrophobicContact CG-CG2 3.67Å; F618-V637 HydrophobicContact CZ-CG2 4.38Å; F633-V637 VanDerWaalsContact O-CG2 3.25Å; F633-V637 WeakPolarHBondContact O-CG2 3.16Å; F633-V637 PolarHBondContact O-N 3.45Å; I634-V637 PolarHBondContact O-N 2.91Å; V637-Q639 PolarHBondContact O-N 3.34Å; V637-L640 PolarHBondContact O-N 3.21Å; V637-W642 HydrophobicContact CG1-CZ2 3.93Å; V637-W642 PolarHBondContact O-NE1 3.3Å; V637-L666 HydrophobicContact CG1-CD2 4.13Å; V637-L666 HydrophobicContact CG1-CG 4.28Å; V637-L666 HydrophobicContact CG2-CD1 4.32Å; V637-L666 HydrophobicContact CG2-CD2 4.32Å
638	V	88.8	Confident	85.5	Confident	23 Å²	23	39.8 Å²	39.8	14%	0.139	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-26.1	-179.5	165.6	0	0	0	0	113.1	I634 V636 H679 L683 L686	I634-V638 HydrophobicContact CG2-CG2 4.41Å; I634-V638 VanDerWaalsContact O-CG2 3.3Å; I634-V638 WeakPolarHBondContact O-CG2 3.44Å; I634-V638 PolarHBondContact O-N 3.19Å; V636-V638 PolarHBondContact O-N 3.21Å; V638-H679 HydrophobicContact CG2-CB 4.24Å; V638-L683 HydrophobicContact CG2-CD2 3.79Å; V638-L683 HydrophobicContact CG2-CG 4.06Å; V638-L686 HydrophobicContact CG2-CD1 4.43Å
639	Q	86	Confident	86	Confident	57 Å²	57	33.3 Å²	33.3	27%	0.266	16%	0.158	S	C	.	.	H	α-helix	trans	-87	-9.3	-177.1	-66	175.2	30.5	0	0	113.9	A600 W605 N606 R635 V636 V637	A600-Q639 PolarHBondContact O-NE2 2.73Å; A600-Q639 PolarHBondContact O-OE1 2.64Å; W605-Q639 CarbonylContact C-O 3.58Å; W605-Q639 VanDerWaalsContact C-O 3.28Å; W605-Q639 HydrophobicContact CB-CB 3.54Å; W605-Q639 HydrophobicContact CG-CB 4.37Å; N606-Q639 WeakPolarHBondContact CA-O 2.99Å; N606-Q639 WeakPolarHBondContact CB-O 3.49Å; N606-Q639 PolarHBondContact N-O 3.36Å; R635-Q639 WeakPolarHBondContact O-CG 3.25Å; R635-Q639 PolarHBondContact O-NE2 3.23Å; V636-Q639 PolarHBondContact O-N 3.34Å; V637-Q639 PolarHBondContact O-N 3.34Å
640	L	85.2	Confident	86.4	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	17%	0.171	C	C	.	.	S	Bend	trans	-65.6	159.3	-179.9	-58.9	173.7	0	0	0	112.7	W605 V608 P610 I614 V637 W642	W605-L640 HydrophobicContact CB-CD2 4.49Å; W605-L640 HydrophobicContact CE3-CD2 3.91Å; V608-L640 HydrophobicContact CB-CD2 4.01Å; V608-L640 HydrophobicContact CG1-CD2 4.18Å; P610-L640 HydrophobicContact CG-CB 3.82Å; P610-L640 HydrophobicContact CG-CD1 4.05Å; I614-L640 HydrophobicContact CG2-CD1 4.09Å; V637-L640 PolarHBondContact O-N 3.21Å; L640-W642 VanDerWaalsContact C-N 3.28Å; L640-W642 PolarHBondContact O-N 3.4Å
641	R	85.3	Confident	86.4	Confident	100 Å²	100	40.8 Å²	40.8	38%	0.377	20%	0.195	S	C	.	.			trans	-78.2	66.5	180	-67.4	-173.4	74.7	-166.1	-9.5	113.6	N606 V608 V609 T643 E644 F645	N606-R641 WeakPolarHBondContact O-CD 3.39Å; N606-R641 WeakPolarHBondContact O-CG 3.34Å; V608-R641 WeakPolarHBondContact O-CB 3.48Å; V608-R641 PolarHBondContact O-N 3.33Å; V609-R641 HydrophobicContact CG2-CB 4.21Å; R641-T643 VanDerWaalsContact C-N 3.31Å; R641-T643 PolarHBondContact O-N 3.43Å; R641-E644 HydrophobicContact CB-CB 4.5Å; R641-E644 IonicContact CZ-OE1 2.63Å; R641-E644 IonicContact CZ-OE2 2.73Å; R641-E644 IonicContact NE-OE2 3.76Å; R641-E644 PolarHBondContact NE-OE2 2.83Å; R641-E644 IonicContact NH1-OE1 3.9Å; R641-E644 IonicContact NH1-OE2 2.72Å; R641-E644 PolarHBondContact NH1-OE2 2.89Å; R641-E644 IonicContact NH2-OE1 3.68Å; R641-E644 PolarHBondContact NH2-OE1 3.49Å; R641-E644 IonicContact NH2-OE2 3.26Å; R641-E644 PolarHBondContact NH2-OE2 3.11Å; R641-E644 PolarHBondContact O-N 3.26Å; R641-F645 PolarHBondContact O-N 3.41Å
642	W	90.1	Very high	86.5	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-33.2	-179.7	-70.6	98.3	0	0	0	114.6	P610 V637 L640 E644 F645 V646 A663 L666 L667 L686 L689 F690	P610-W642 HydrophobicContact CB-CH2 4.37Å; P610-W642 HydrophobicContact CB-CZ3 4.27Å; P610-W642 HydrophobicContact CG-CD2 3.94Å; P610-W642 HydrophobicContact CG-CE3 3.99Å; P610-W642 HydrophobicContact CG-CG 4.48Å; P610-W642 HydrophobicContact CG-CH2 4.28Å; P610-W642 HydrophobicContact CG-CZ2 4.23Å; P610-W642 HydrophobicContact CG-CZ3 4.13Å; V637-W642 HydrophobicContact CG1-CZ2 3.93Å; V637-W642 PolarHBondContact O-NE1 3.3Å; L640-W642 VanDerWaalsContact C-N 3.28Å; L640-W642 PolarHBondContact O-N 3.4Å; W642-E644 VanDerWaalsContact C-N 3.3Å; W642-E644 PolarHBondContact O-N 3.16Å; W642-F645 AromaticContact CE3-CD1 3.91Å; W642-F645 HydrophobicContact CE3-CD1 3.91Å; W642-F645 HydrophobicContact CE3-CE1 4.43Å; W642-F645 HydrophobicContact CZ3-CD1 4.08Å; W642-F645 HydrophobicContact CZ3-CE1 4.19Å; W642-F645 PolarHBondContact O-N 3.2Å; W642-V646 WeakPolarHBondContact O-CG2 3.29Å; W642-V646 PolarHBondContact O-N 3.28Å; W642-A663 HydrophobicContact CH2-CB 4.32Å; W642-A663 HydrophobicContact CZ3-CB 3.85Å; W642-L666 HydrophobicContact CH2-CD2 4.23Å; W642-L666 HydrophobicContact CZ2-CD2 4.33Å; W642-L667 HydrophobicContact CH2-CD2 4.28Å; W642-L667 HydrophobicContact CH2-CG 4.41Å; W642-L667 HydrophobicContact CZ2-CD2 4Å; W642-L686 HydrophobicContact CB-CD2 3.5Å; W642-L686 VanDerWaalsContact CB-CD2 3.5Å; W642-L686 HydrophobicContact CD2-CD1 4.46Å; W642-L686 HydrophobicContact CD2-CD2 4.37Å; W642-L686 HydrophobicContact CG-CD1 4.14Å; W642-L686 HydrophobicContact CG-CD2 3.41Å; W642-L686 VanDerWaalsContact CG-CD2 3.41Å; W642-L686 HydrophobicContact CG-CG 4.3Å; W642-L689 HydrophobicContact CB-CD1 3.63Å; W642-F690 HydrophobicContact CE3-CE2 4.04Å; W642-F690 HydrophobicContact CE3-CZ 4.03Å; W642-F690 HydrophobicContact CZ3-CE2 4.27Å; W642-F690 AromaticContact CZ3-CZ 3.94Å; W642-F690 HydrophobicContact CZ3-CZ 3.94Å
643	T	87.7	Confident	86.2	Confident	76 Å²	76	43.3 Å²	43.3	47%	0.466	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-36.9	179.8	-48.6	0	0	0	0	112.5	R641 R647 L689	R641-T643 VanDerWaalsContact C-N 3.31Å; R641-T643 PolarHBondContact O-N 3.43Å; T643-R647 WeakPolarHBondContact O-CB 3.49Å; T643-R647 PolarHBondContact O-N 2.67Å; T643-R647 VanDerWaalsContact O-N 3.15Å; T643-L689 HydrophobicContact CG2-CD2 4.44Å
644	E	85	Confident	85.6	Confident	59 Å²	59	50.1 Å²	50.1	28%	0.276	25%	0.246	S	C	.	.	H	α-helix	trans	-76.8	-40.3	177.8	-170.4	162.2	-112.2	0	0	111.3	V609 R641 W642 V646 R647 S648	V609-E644 HydrophobicContact CG2-CB 4.21Å; V609-E644 HydrophobicContact CG2-CG 4.1Å; V609-E644 WeakPolarHBondContact CG2-OE2 3.38Å; R641-E644 HydrophobicContact CB-CB 4.5Å; R641-E644 IonicContact CZ-OE1 2.63Å; R641-E644 IonicContact CZ-OE2 2.73Å; R641-E644 IonicContact NE-OE2 3.76Å; R641-E644 PolarHBondContact NE-OE2 2.83Å; R641-E644 IonicContact NH1-OE1 3.9Å; R641-E644 IonicContact NH1-OE2 2.72Å; R641-E644 PolarHBondContact NH1-OE2 2.89Å; R641-E644 IonicContact NH2-OE1 3.68Å; R641-E644 PolarHBondContact NH2-OE1 3.49Å; R641-E644 IonicContact NH2-OE2 3.26Å; R641-E644 PolarHBondContact NH2-OE2 3.11Å; R641-E644 PolarHBondContact O-N 3.26Å; W642-E644 VanDerWaalsContact C-N 3.3Å; W642-E644 PolarHBondContact O-N 3.16Å; E644-V646 VanDerWaalsContact C-N 3.35Å; E644-V646 PolarHBondContact O-N 3Å; E644-R647 PolarHBondContact O-N 3.23Å; E644-S648 PolarHBondContact O-N 3.41Å; E644-S648 PolarHBondContact O-OG 2.95Å
645	F	88.9	Confident	85.3	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-54.9	-47.7	171.8	168.7	-98	0	0	0	112.7	V609 P610 I615 R641 W642 S648 S649 V659 A663 F690	V609-F645 HydrophobicContact CG1-CB 3.92Å; P610-F645 HydrophobicContact CB-CB 4.47Å; P610-F645 HydrophobicContact CB-CD2 4.14Å; P610-F645 HydrophobicContact CB-CG 4.26Å; P610-F645 HydrophobicContact CG-CB 4.26Å; P610-F645 HydrophobicContact CG-CG 4.48Å; P610-F645 WeakPolarHBondContact O-CD2 3.14Å; P610-F645 WeakPolarHBondContact O-CE2 3.48Å; I615-F645 HydrophobicContact CD1-CE2 4.09Å; I615-F645 HydrophobicContact CD1-CZ 4.09Å; R641-F645 PolarHBondContact O-N 3.41Å; W642-F645 AromaticContact CE3-CD1 3.91Å; W642-F645 HydrophobicContact CE3-CD1 3.91Å; W642-F645 HydrophobicContact CE3-CE1 4.43Å; W642-F645 HydrophobicContact CZ3-CD1 4.08Å; W642-F645 HydrophobicContact CZ3-CE1 4.19Å; W642-F645 PolarHBondContact O-N 3.2Å; F645-S648 PolarHBondContact O-OG 3.25Å; F645-S648 VanDerWaalsContact O-OG 3.08Å; F645-S649 VanDerWaalsContact O-CB 3.23Å; F645-S649 WeakPolarHBondContact O-CB 3.23Å; F645-S649 PolarHBondContact O-N 3.27Å; F645-S649 PolarHBondContact O-OG 3.41Å; F645-V659 HydrophobicContact CE2-CG1 3.66Å; F645-V659 HydrophobicContact CZ-CG1 3.88Å; F645-A663 HydrophobicContact CE1-CB 3.72Å; F645-A663 HydrophobicContact CZ-CB 3.79Å; F645-F690 HydrophobicContact CD1-CZ 4.23Å; F645-F690 HydrophobicContact CE1-CE1 4.04Å; F645-F690 AromaticContact CE1-CZ 3.83Å; F645-F690 HydrophobicContact CE1-CZ 3.83Å
646	V	88.9	Confident	85.1	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-42.5	178.3	173.1	0	0	0	0	110	W642 E644 S649 L650 L689 F690 L692	W642-V646 WeakPolarHBondContact O-CG2 3.29Å; W642-V646 PolarHBondContact O-N 3.28Å; E644-V646 VanDerWaalsContact C-N 3.35Å; E644-V646 PolarHBondContact O-N 3Å; V646-S649 PolarHBondContact O-N 3.39Å; V646-L650 HydrophobicContact CG1-CD1 3.82Å; V646-L650 HydrophobicContact CG1-CG 4.26Å; V646-L650 WeakPolarHBondContact O-CB 3.46Å; V646-L650 WeakPolarHBondContact O-CG 3.22Å; V646-L650 PolarHBondContact O-N 2.94Å; V646-L689 HydrophobicContact CG2-CB 4.06Å; V646-F690 HydrophobicContact CG2-CD2 4.37Å; V646-F690 HydrophobicContact CG2-CE1 4.36Å; V646-F690 HydrophobicContact CG2-CE2 4.1Å; V646-F690 HydrophobicContact CG2-CZ 4.11Å; V646-L692 HydrophobicContact CG1-CB 4.33Å; V646-L692 HydrophobicContact CG1-CD1 4.3Å
647	R	87.6	Confident	85	Confident	129 Å²	129	52.7 Å²	52.7	49%	0.487	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-49.4	178.3	-171.3	-176.5	-60.5	119.2	1.5	112.3	T643 E644 S649 L650 E651	T643-R647 WeakPolarHBondContact O-CB 3.49Å; T643-R647 PolarHBondContact O-N 2.67Å; T643-R647 VanDerWaalsContact O-N 3.15Å; E644-R647 PolarHBondContact O-N 3.23Å; R647-S649 VanDerWaalsContact C-N 3.35Å; R647-S649 PolarHBondContact O-N 2.96Å; R647-L650 PolarHBondContact O-N 3.44Å; R647-E651 PolarHBondContact O-N 2.93Å
648	S	85.7	Confident	84.8	Confident	51 Å²	51	55.4 Å²	55.4	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-37.7	179.9	62.3	0	0	0	0	112.2	E644 F645 L650 E651 T652	E644-S648 PolarHBondContact O-N 3.41Å; E644-S648 PolarHBondContact O-OG 2.95Å; F645-S648 PolarHBondContact O-OG 3.25Å; F645-S648 VanDerWaalsContact O-OG 3.08Å; S648-L650 VanDerWaalsContact C-N 3.29Å; S648-L650 PolarHBondContact O-N 3.13Å; S648-E651 PolarHBondContact O-N 3.2Å; S648-T652 PolarHBondContact O-N 3.24Å; S648-T652 PolarHBondContact O-OG1 3.4Å
649	S	86.9	Confident	84.8	Confident	5 Å²	5	55.7 Å²	55.7	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-33	175.7	-60.1	0	0	0	0	112.2	F645 V646 R647 T652 L653 S656	F645-S649 VanDerWaalsContact O-CB 3.23Å; F645-S649 WeakPolarHBondContact O-CB 3.23Å; F645-S649 PolarHBondContact O-N 3.27Å; F645-S649 PolarHBondContact O-OG 3.41Å; V646-S649 PolarHBondContact O-N 3.39Å; R647-S649 VanDerWaalsContact C-N 3.35Å; R647-S649 PolarHBondContact O-N 2.96Å; S649-T652 CarbonylContact O-C 3.57Å; S649-L653 VanDerWaalsContact O-CA 3.25Å; S649-L653 WeakPolarHBondContact O-CA 3.41Å; S649-L653 PolarHBondContact O-N 3.07Å; S649-S656 WeakPolarHBondContact O-CB 3.2Å
650	L	86	Confident	84.9	Confident	54 Å²	54	53.1 Å²	53.1	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-72.4	-32.4	176.6	-71.5	170.1	0	0	0	112.7	V646 R647 S648 T652 L653 L692 V693	V646-L650 HydrophobicContact CG1-CD1 3.82Å; V646-L650 HydrophobicContact CG1-CG 4.26Å; V646-L650 WeakPolarHBondContact O-CB 3.46Å; V646-L650 WeakPolarHBondContact O-CG 3.22Å; V646-L650 PolarHBondContact O-N 2.94Å; R647-L650 PolarHBondContact O-N 3.44Å; S648-L650 VanDerWaalsContact C-N 3.29Å; S648-L650 PolarHBondContact O-N 3.13Å; L650-T652 PolarHBondContact O-N 3.2Å; L650-L653 HydrophobicContact CD2-CD1 4.23Å; L650-L692 HydrophobicContact CD1-CB 3.83Å; L650-V693 HydrophobicContact CD2-CG2 4.33Å
651	E	84.1	Confident	85	Confident	150 Å²	150	52.9 Å²	52.9	70%	0.701	28%	0.28	S	S	*	.	H	α-helix	trans	-66.1	-27.4	175.8	-71.2	171.6	-170.3	0	0	112.3	R647 S648	R647-E651 PolarHBondContact O-N 2.93Å; S648-E651 PolarHBondContact O-N 3.2Å
652	T	82.9	Confident	85.2	Confident	71 Å²	71	52.2 Å²	52.2	44%	0.436	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	45.8	-178.4	57.2	0	0	0	0	111.6	S648 S649 L650 D654 S655 S656	S648-T652 PolarHBondContact O-N 3.24Å; S648-T652 PolarHBondContact O-OG1 3.4Å; S649-T652 CarbonylContact O-C 3.57Å; L650-T652 PolarHBondContact O-N 3.2Å; T652-D654 PolarHBondContact O-N 3.25Å; T652-S655 WeakPolarHBondContact CB-OG 3.44Å; T652-S655 PolarHBondContact O-N 3.1Å; T652-S655 PolarHBondContact O-OG 2.96Å; T652-S656 VanDerWaalsContact O-CB 3.29Å; T652-S656 WeakPolarHBondContact O-CB 3.03Å; T652-S656 PolarHBondContact O-N 3.39Å; T652-S656 PolarHBondContact O-OG 3.33Å; T652-S656 VanDerWaalsContact O-OG 3.07Å; T652-S656 PolarHBondContact OG1-OG 2.92Å
653	L	78.6	Confident	85.3	Confident	36 Å²	36	52.1 Å²	52.1	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-51.3	-50.7	-166.1	-170.1	63.2	0	0	0	113.8	S649 L650 S655 S656 M657 I660 V693 P694 T697	S649-L653 VanDerWaalsContact O-CA 3.25Å; S649-L653 WeakPolarHBondContact O-CA 3.41Å; S649-L653 PolarHBondContact O-N 3.07Å; L650-L653 HydrophobicContact CD2-CD1 4.23Å; L653-S655 VanDerWaalsContact C-N 3.34Å; L653-S655 PolarHBondContact O-N 3.31Å; L653-S656 PolarHBondContact O-N 3.12Å; L653-S656 VanDerWaalsContact O-N 3.09Å; L653-M657 VanDerWaalsContact O-CG 3.25Å; L653-M657 WeakPolarHBondContact O-CG 3.42Å; L653-M657 PolarHBondContact O-N 3.37Å; L653-M657 VanDerWaalsContact O-N 3.14Å; L653-I660 HydrophobicContact CD1-CD1 3.89Å; L653-V693 HydrophobicContact CD1-CG1 4.48Å; L653-P694 HydrophobicContact CD2-CG 3.83Å; L653-T697 HydrophobicContact CD1-CG2 3.97Å; L653-T697 HydrophobicContact CD2-CG2 3.8Å; L653-T697 HydrophobicContact CG-CG2 3.83Å
654	D	73	Confident	85.5	Confident	143 Å²	143	48.5 Å²	48.5	77%	0.765	26%	0.255	S	S	*	.	H	α-helix	trans	-58.5	-42.2	-176.1	-67.3	-23.1	0	0	0	112.5	T652	T652-D654 PolarHBondContact O-N 3.25Å
655	S	80.1	Confident	85.7	Confident	87 Å²	87	46.1 Å²	46.1	61%	0.608	24%	0.244	S	C	*	.	H	α-helix	trans	-78.4	-25.2	177.5	48.6	0	0	0	0	113.3	T652 L653	T652-S655 WeakPolarHBondContact CB-OG 3.44Å; T652-S655 PolarHBondContact O-N 3.1Å; T652-S655 PolarHBondContact O-OG 2.96Å; L653-S655 VanDerWaalsContact C-N 3.34Å; L653-S655 PolarHBondContact O-N 3.31Å
656	S	83.9	Confident	85.9	Confident	16 Å²	16	45.9 Å²	45.9	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-90.3	-7.1	-172.9	-67.5	0	0	0	0	113.8	S649 T652 L653 P658 V659 I660	S649-S656 WeakPolarHBondContact O-CB 3.2Å; T652-S656 VanDerWaalsContact O-CB 3.29Å; T652-S656 WeakPolarHBondContact O-CB 3.03Å; T652-S656 PolarHBondContact O-N 3.39Å; T652-S656 PolarHBondContact O-OG 3.33Å; T652-S656 VanDerWaalsContact O-OG 3.07Å; T652-S656 PolarHBondContact OG1-OG 2.92Å; L653-S656 PolarHBondContact O-N 3.12Å; L653-S656 VanDerWaalsContact O-N 3.09Å; S656-P658 VanDerWaalsContact C-CD 3.5Å; S656-V659 WeakPolarHBondContact O-CB 3.28Å; S656-V659 PolarHBondContact O-N 3.42Å; S656-I660 WeakPolarHBondContact O-CG1 3.13Å; S656-I660 PolarHBondContact O-N 3.06Å
657	M	82.6	Confident	86	Confident	28 Å²	28	45.7 Å²	45.7	14%	0.138	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-44.3	-178.8	-63.1	-177.7	40	0	0	115.1	L653 V659 I660 A661 T697 V699	L653-M657 VanDerWaalsContact O-CG 3.25Å; L653-M657 WeakPolarHBondContact O-CG 3.42Å; L653-M657 PolarHBondContact O-N 3.37Å; L653-M657 VanDerWaalsContact O-N 3.14Å; M657-V659 VanDerWaalsContact C-N 3.25Å; M657-V659 PolarHBondContact O-N 3.45Å; M657-I660 PolarHBondContact O-N 3.04Å; M657-A661 PolarHBondContact O-N 2.65Å; M657-T697 WeakPolarHBondContact CE-O 3.48Å; M657-T697 HydrophobicContact CG-CG2 4.08Å; M657-T697 HydrophobicContact SD-CG2 4.05Å; M657-V699 HydrophobicContact CE-CG2 3.96Å
658	P	84.4	Confident	86	Confident	57 Å²	57	39.6 Å²	39.6	37%	0.37	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-35.3	177	-20.4	33.7	0	0	0	112.1	S656 A661 R662	S656-P658 VanDerWaalsContact C-CD 3.5Å; P658-A661 PolarHBondContact O-N 3.39Å; P658-R662 WeakPolarHBondContact O-CG 3.42Å; P658-R662 PolarHBondContact O-N 3.49Å
659	V	87.6	Confident	86.1	Confident	30 Å²	30	37.4 Å²	37.4	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-71.7	-42.4	-179.7	-168.8	0	0	0	0	110.8	L612 I615 F645 S656 M657 A661 R662 A663	L612-V659 HydrophobicContact CB-CG1 4.2Å; L612-V659 HydrophobicContact CB-CG2 4.39Å; L612-V659 HydrophobicContact CD1-CG1 4.41Å; L612-V659 HydrophobicContact CD1-CG2 4.45Å; L612-V659 HydrophobicContact CD2-CG2 4.47Å; I615-V659 HydrophobicContact CD1-CG1 4.12Å; F645-V659 HydrophobicContact CE2-CG1 3.66Å; F645-V659 HydrophobicContact CZ-CG1 3.88Å; S656-V659 WeakPolarHBondContact O-CB 3.28Å; S656-V659 PolarHBondContact O-N 3.42Å; M657-V659 VanDerWaalsContact C-N 3.25Å; M657-V659 PolarHBondContact O-N 3.45Å; V659-A661 VanDerWaalsContact C-N 3.34Å; V659-A661 PolarHBondContact O-N 3.25Å; V659-R662 PolarHBondContact O-N 3.41Å; V659-A663 WeakPolarHBondContact O-CB 3.46Å; V659-A663 PolarHBondContact O-N 3.29Å
660	I	88.9	Confident	86.1	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-44.8	173.5	-66.1	170.8	0	0	0	110.7	L653 S656 M657 R662 A663 L664 F690 V693 I698	L653-I660 HydrophobicContact CD1-CD1 3.89Å; S656-I660 WeakPolarHBondContact O-CG1 3.13Å; S656-I660 PolarHBondContact O-N 3.06Å; M657-I660 PolarHBondContact O-N 3.04Å; I660-R662 PolarHBondContact O-N 3.17Å; I660-A663 WeakPolarHBondContact O-CB 3.5Å; I660-A663 PolarHBondContact O-N 3.34Å; I660-L664 HydrophobicContact CG2-CD1 4.26Å; I660-L664 WeakPolarHBondContact O-CG 3.21Å; I660-L664 PolarHBondContact O-N 3.47Å; I660-F690 HydrophobicContact CG2-CD1 4.07Å; I660-F690 HydrophobicContact CG2-CE1 4.07Å; I660-V693 HydrophobicContact CD1-CG2 4.36Å; I660-V693 HydrophobicContact CG2-CG2 4.27Å; I660-I698 HydrophobicContact CG2-CD1 4.23Å
661	A	87.7	Confident	86.1	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-45.4	178.5	0	0	0	0	0	111.6	M657 P658 V659 A663 L664 E665 I698 N702	M657-A661 PolarHBondContact O-N 2.65Å; P658-A661 PolarHBondContact O-N 3.39Å; V659-A661 VanDerWaalsContact C-N 3.34Å; V659-A661 PolarHBondContact O-N 3.25Å; A661-A663 PolarHBondContact O-N 2.9Å; A661-L664 PolarHBondContact O-N 3.37Å; A661-E665 PolarHBondContact O-N 3.01Å; A661-I698 HydrophobicContact CB-CG2 4.42Å; A661-N702 HydrophobicContact CB-CB 3.88Å
662	R	89.2	Confident	85.9	Confident	87 Å²	87	28.4 Å²	28.4	33%	0.328	16%	0.159	S	C	.	.	H	α-helix	trans	-63	-39.4	175	-73.2	-58.5	-156.3	175.7	4.2	113	L612 I615 P658 V659 I660 L664 E665 L666	L612-R662 HydrophobicContact CD1-CB 4.05Å; L612-R662 HydrophobicContact CD1-CG 3.94Å; I615-R662 VanDerWaalsContact CG2-C 3.43Å; I615-R662 HydrophobicContact CG2-CB 3.76Å; I615-R662 VanDerWaalsContact CG2-O 3.26Å; I615-R662 WeakPolarHBondContact CG2-O 3.05Å; P658-R662 WeakPolarHBondContact O-CG 3.42Å; P658-R662 PolarHBondContact O-N 3.49Å; V659-R662 PolarHBondContact O-N 3.41Å; I660-R662 PolarHBondContact O-N 3.17Å; R662-L664 VanDerWaalsContact C-N 3.31Å; R662-L664 PolarHBondContact O-N 3.43Å; R662-E665 VanDerWaalsContact CD-OE2 3.22Å; R662-E665 WeakPolarHBondContact CD-OE2 3.11Å; R662-E665 IonicContact CZ-OE2 2.94Å; R662-E665 IonicContact NE-OE2 3.32Å; R662-E665 IonicContact NH1-OE2 3.9Å; R662-E665 PolarHBondContact NH1-OE2 3.35Å; R662-E665 WeakPolarHBondContact O-CB 3.45Å; R662-E665 PolarHBondContact O-N 3.03Å; R662-L666 PolarHBondContact O-N 3.24Å
663	A	91.9	Very high	85.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-43.2	175.4	0	0	0	0	0	111.8	I615 W642 F645 V659 I660 A661 L666 L667 F690	I615-A663 HydrophobicContact CD1-CB 3.87Å; W642-A663 HydrophobicContact CH2-CB 4.32Å; W642-A663 HydrophobicContact CZ3-CB 3.85Å; F645-A663 HydrophobicContact CE1-CB 3.72Å; F645-A663 HydrophobicContact CZ-CB 3.79Å; V659-A663 WeakPolarHBondContact O-CB 3.46Å; V659-A663 PolarHBondContact O-N 3.29Å; I660-A663 WeakPolarHBondContact O-CB 3.5Å; I660-A663 PolarHBondContact O-N 3.34Å; A661-A663 PolarHBondContact O-N 2.9Å; A663-L666 WeakPolarHBondContact O-CB 3.47Å; A663-L666 PolarHBondContact O-N 3.28Å; A663-L667 WeakPolarHBondContact O-CG 3.38Å; A663-L667 PolarHBondContact O-N 2.89Å; A663-F690 HydrophobicContact CB-CE1 4.02Å; A663-F690 HydrophobicContact CB-CZ 3.8Å
664	L	91.7	Very high	85.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-38.1	176.3	-69.3	167	0	0	0	112.2	I660 A661 R662 L666 L667 F668 L687 F690 I698 L706 L737	I660-L664 HydrophobicContact CG2-CD1 4.26Å; I660-L664 WeakPolarHBondContact O-CG 3.21Å; I660-L664 PolarHBondContact O-N 3.47Å; A661-L664 PolarHBondContact O-N 3.37Å; R662-L664 VanDerWaalsContact C-N 3.31Å; R662-L664 PolarHBondContact O-N 3.43Å; L664-L666 VanDerWaalsContact C-N 3.31Å; L664-L666 PolarHBondContact O-N 3.19Å; L664-L667 PolarHBondContact O-N 3.26Å; L664-F668 WeakPolarHBondContact O-CB 3.49Å; L664-F668 WeakPolarHBondContact O-CD1 3.47Å; L664-F668 WeakPolarHBondContact O-CG 3.33Å; L664-F668 PolarHBondContact O-N 3.44Å; L664-L687 HydrophobicContact CD2-CD2 4.33Å; L664-F690 HydrophobicContact CD1-CD1 4.41Å; L664-F690 HydrophobicContact CD2-CB 4.1Å; L664-F690 HydrophobicContact CD2-CD1 3.74Å; L664-F690 HydrophobicContact CD2-CD2 4.24Å; L664-F690 HydrophobicContact CD2-CE1 4.21Å; L664-F690 HydrophobicContact CD2-CG 3.75Å; L664-F690 HydrophobicContact CG-CD1 3.96Å; L664-F690 HydrophobicContact CG-CE1 4.15Å; L664-F690 HydrophobicContact CG-CG 4.48Å; L664-I698 HydrophobicContact CD1-CD1 3.47Å; L664-I698 VanDerWaalsContact CD1-CD1 3.47Å; L664-L706 HydrophobicContact CB-CD1 3.63Å; L664-L706 HydrophobicContact CB-CD2 4.34Å; L664-L706 HydrophobicContact CD1-CD2 3.93Å; L664-L737 HydrophobicContact CD1-CD1 3.42Å; L664-L737 VanDerWaalsContact CD1-CD1 3.42Å; L664-L737 HydrophobicContact CD2-CD1 4.45Å
665	E	90.3	Very high	85.1	Confident	9 Å²	9	25 Å²	25	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-40.9	172.3	-70.8	-179	170.2	0	0	112.2	I619 A661 R662 F668 S669 L706 Y709	I619-E665 HydrophobicContact CD1-CB 4.14Å; A661-E665 PolarHBondContact O-N 3.01Å; R662-E665 VanDerWaalsContact CD-OE2 3.22Å; R662-E665 WeakPolarHBondContact CD-OE2 3.11Å; R662-E665 IonicContact CZ-OE2 2.94Å; R662-E665 IonicContact NE-OE2 3.32Å; R662-E665 IonicContact NH1-OE2 3.9Å; R662-E665 PolarHBondContact NH1-OE2 3.35Å; R662-E665 WeakPolarHBondContact O-CB 3.45Å; R662-E665 PolarHBondContact O-N 3.03Å; E665-F668 PolarHBondContact O-N 3.27Å; E665-S669 WeakPolarHBondContact O-CB 3.45Å; E665-S669 PolarHBondContact O-N 3.01Å; E665-S669 PolarHBondContact O-OG 2.9Å; E665-L706 HydrophobicContact CG-CD1 3.88Å; E665-Y709 HydrophobicContact CG-CG 4.33Å
666	L	91.6	Very high	84.6	Confident	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-49.4	174.2	173.3	58.9	0	0	0	111.2	I615 F618 I619 I622 V637 W642 R662 A663 L664 F668 S669 C670	I615-L666 HydrophobicContact CG1-CD2 4.42Å; I615-L666 HydrophobicContact CG2-CB 4.11Å; I615-L666 HydrophobicContact CG2-CD2 4.38Å; F618-L666 HydrophobicContact CB-CD1 3.59Å; F618-L666 HydrophobicContact CB-CD2 3.97Å; F618-L666 HydrophobicContact CB-CG 4.47Å; I619-L666 HydrophobicContact CD1-CB 4.27Å; I619-L666 HydrophobicContact CG1-CB 3.89Å; I619-L666 HydrophobicContact CG1-CD1 4.16Å; I622-L666 HydrophobicContact CD1-CD1 3.66Å; V637-L666 HydrophobicContact CG1-CD2 4.13Å; V637-L666 HydrophobicContact CG1-CG 4.28Å; V637-L666 HydrophobicContact CG2-CD1 4.32Å; V637-L666 HydrophobicContact CG2-CD2 4.32Å; W642-L666 HydrophobicContact CH2-CD2 4.23Å; W642-L666 HydrophobicContact CZ2-CD2 4.33Å; R662-L666 PolarHBondContact O-N 3.24Å; A663-L666 WeakPolarHBondContact O-CB 3.47Å; A663-L666 PolarHBondContact O-N 3.28Å; L664-L666 VanDerWaalsContact C-N 3.31Å; L664-L666 PolarHBondContact O-N 3.19Å; L666-F668 VanDerWaalsContact C-N 3.31Å; L666-F668 PolarHBondContact O-N 3.25Å; L666-S669 WeakPolarHBondContact O-CA 3.45Å; L666-S669 WeakPolarHBondContact O-CB 3.2Å; L666-S669 PolarHBondContact O-N 3.24Å; L666-C670 PolarHBondContact O-N 3.05Å; L666-C670 PolarHBondContact O-SG 2.86Å; L666-C670 VanDerWaalsContact O-SG 3.37Å
667	L	91.4	Very high	84	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-40.5	178.6	-66.8	-179.9	0	0	0	111.7	W642 A663 L664 S669 C670 I671 L683 L686 L687 F690	W642-L667 HydrophobicContact CH2-CD2 4.28Å; W642-L667 HydrophobicContact CH2-CG 4.41Å; W642-L667 HydrophobicContact CZ2-CD2 4Å; A663-L667 WeakPolarHBondContact O-CG 3.38Å; A663-L667 PolarHBondContact O-N 2.89Å; L664-L667 PolarHBondContact O-N 3.26Å; L667-S669 VanDerWaalsContact C-N 3.31Å; L667-S669 PolarHBondContact O-N 3.06Å; L667-C670 WeakPolarHBondContact O-CB 3.44Å; L667-C670 PolarHBondContact O-N 3.38Å; L667-I671 WeakPolarHBondContact O-CB 3.46Å; L667-I671 VanDerWaalsContact O-CG1 3.22Å; L667-I671 WeakPolarHBondContact O-CG1 3.46Å; L667-I671 PolarHBondContact O-N 3.47Å; L667-L683 HydrophobicContact CD2-CD2 4.44Å; L667-L686 HydrophobicContact CD1-CB 4.44Å; L667-L686 HydrophobicContact CD2-CB 4.32Å; L667-L686 HydrophobicContact CD2-CD1 4Å; L667-L687 HydrophobicContact CB-CD2 4.24Å; L667-L687 HydrophobicContact CD1-CD2 3.99Å; L667-F690 HydrophobicContact CD1-CD2 3.97Å; L667-F690 HydrophobicContact CD1-CE2 3.53Å; L667-F690 HydrophobicContact CD1-CZ 4.24Å
668	F	88.7	Confident	83.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-36.9	174	-66.6	-8.6	0	0	0	111.9	L664 E665 L666 C670 I671 F672 L687 L706 Y709 F710 A730 L734	L664-F668 WeakPolarHBondContact O-CB 3.49Å; L664-F668 WeakPolarHBondContact O-CD1 3.47Å; L664-F668 WeakPolarHBondContact O-CG 3.33Å; L664-F668 PolarHBondContact O-N 3.44Å; E665-F668 PolarHBondContact O-N 3.27Å; L666-F668 VanDerWaalsContact C-N 3.31Å; L666-F668 PolarHBondContact O-N 3.25Å; F668-C670 VanDerWaalsContact C-N 3.29Å; F668-C670 PolarHBondContact O-N 2.89Å; F668-I671 PolarHBondContact O-N 3.44Å; F668-F672 HydrophobicContact CB-CD2 4.05Å; F668-F672 HydrophobicContact CB-CE2 3.95Å; F668-F672 HydrophobicContact CG-CE2 4.28Å; F668-F672 WeakPolarHBondContact O-CB 3.45Å; F668-F672 WeakPolarHBondContact O-CD2 3.26Å; F668-F672 PolarHBondContact O-N 3.08Å; F668-L687 HydrophobicContact CE1-CD2 4.12Å; F668-L706 HydrophobicContact CD2-CD1 3.8Å; F668-L706 HydrophobicContact CE2-CD1 3.46Å; F668-L706 VanDerWaalsContact CE2-CD1 3.46Å; F668-L706 HydrophobicContact CE2-CD2 4.45Å; F668-L706 HydrophobicContact CE2-CG 3.93Å; F668-L706 HydrophobicContact CZ-CD1 4.37Å; F668-Y709 HydrophobicContact CB-CD1 4.08Å; F668-Y709 HydrophobicContact CB-CE1 4.13Å; F668-F710 HydrophobicContact CD2-CB 4.36Å; F668-F710 HydrophobicContact CD2-CD2 4.26Å; F668-F710 HydrophobicContact CE2-CB 4.41Å; F668-F710 HydrophobicContact CE2-CD2 4.17Å; F668-A730 HydrophobicContact CD1-CB 3.82Å; F668-A730 HydrophobicContact CE1-CB 3.61Å; F668-L734 HydrophobicContact CE2-CD1 4.1Å; F668-L734 HydrophobicContact CE2-CD2 3.9Å; F668-L734 HydrophobicContact CE2-CG 4.08Å; F668-L734 HydrophobicContact CZ-CD1 4.12Å; F668-L734 HydrophobicContact CZ-CD2 3.84Å; F668-L734 HydrophobicContact CZ-CG 3.74Å
669	S	86.3	Confident	83.7	Confident	6 Å²	6	27.8 Å²	27.8	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-40.5	173.6	-55.6	0	0	0	0	112.1	E665 L666 L667 Y709	E665-S669 WeakPolarHBondContact O-CB 3.45Å; E665-S669 PolarHBondContact O-N 3.01Å; E665-S669 PolarHBondContact O-OG 2.9Å; L666-S669 WeakPolarHBondContact O-CA 3.45Å; L666-S669 WeakPolarHBondContact O-CB 3.2Å; L666-S669 PolarHBondContact O-N 3.24Å; L667-S669 VanDerWaalsContact C-N 3.31Å; L667-S669 PolarHBondContact O-N 3.06Å; S669-Y709 WeakPolarHBondContact CB-OH 3.28Å; S669-Y709 WeakPolarHBondContact OG-CE1 3.21Å; S669-Y709 PolarHBondContact OG-OH 2.7Å
670	C	88	Confident	83.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-49.5	175.1	-62.9	0	0	0	0	111.2	I622 I634 L666 L667 F668 F672 C673 A676 L683	I622-C670 VanDerWaalsContact CD1-SG 3.58Å; I634-C670 HydrophobicContact CG1-CB 4.03Å; I634-C670 HydrophobicContact CG2-CB 4.31Å; L666-C670 PolarHBondContact O-N 3.05Å; L666-C670 PolarHBondContact O-SG 2.86Å; L666-C670 VanDerWaalsContact O-SG 3.37Å; L667-C670 WeakPolarHBondContact O-CB 3.44Å; L667-C670 PolarHBondContact O-N 3.38Å; F668-C670 VanDerWaalsContact C-N 3.29Å; F668-C670 PolarHBondContact O-N 2.89Å; C670-F672 PolarHBondContact O-N 3.34Å; C670-C673 VanDerWaalsContact O-CB 3.24Å; C670-C673 WeakPolarHBondContact O-CB 3.3Å; C670-C673 PolarHBondContact O-N 3.04Å; C670-C673 VanDerWaalsContact O-N 3.15Å; C670-A676 WeakPolarHBondContact O-CB 3.42Å; C670-L683 HydrophobicContact CB-CD1 4.19Å; C670-L683 HydrophobicContact CB-CD2 3.76Å
671	I	85.1	Confident	83.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.4	-37.7	-173	-71.1	170.4	0	0	0	112.9	L667 F668 C673 L683 L687 P726 Q727 A730	L667-I671 WeakPolarHBondContact O-CB 3.46Å; L667-I671 VanDerWaalsContact O-CG1 3.22Å; L667-I671 WeakPolarHBondContact O-CG1 3.46Å; L667-I671 PolarHBondContact O-N 3.47Å; F668-I671 PolarHBondContact O-N 3.44Å; I671-C673 PolarHBondContact O-N 2.94Å; I671-L683 HydrophobicContact CD1-CB 4.47Å; I671-L683 HydrophobicContact CG1-CB 4.06Å; I671-L683 HydrophobicContact CG1-CD1 4Å; I671-L683 HydrophobicContact CG1-CD2 4.46Å; I671-L683 HydrophobicContact CG1-CG 4.41Å; I671-L687 HydrophobicContact CD1-CD1 3.23Å; I671-L687 HydrophobicContact CD1-CD2 4.27Å; I671-L687 HydrophobicContact CD1-CG 3.87Å; I671-P726 HydrophobicContact CG1-CB 4.17Å; I671-P726 HydrophobicContact CG2-CB 4.02Å; I671-P726 HydrophobicContact CG2-CG 4.43Å; I671-Q727 HydrophobicContact CG2-CB 4.26Å; I671-Q727 HydrophobicContact CG2-CG 3.82Å; I671-Q727 PolarHBondContact O-NE2 3.33Å; I671-A730 HydrophobicContact CD1-CB 4.14Å; I671-A730 HydrophobicContact CG2-CB 4.39Å
672	F	79.5	Confident	83.2	Confident	19 Å²	19	32.9 Å²	32.9	8%	0.083	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.1	177.4	-62.8	-55.7	0	0	0	113.4	F668 C670 N674 F710 R713 A714 H718 Q727	F668-F672 HydrophobicContact CB-CD2 4.05Å; F668-F672 HydrophobicContact CB-CE2 3.95Å; F668-F672 HydrophobicContact CG-CE2 4.28Å; F668-F672 WeakPolarHBondContact O-CB 3.45Å; F668-F672 WeakPolarHBondContact O-CD2 3.26Å; F668-F672 PolarHBondContact O-N 3.08Å; C670-F672 PolarHBondContact O-N 3.34Å; F672-N674 PolarHBondContact O-N 3.26Å; F672-F710 AromaticContact CE2-CD2 3.75Å; F672-F710 HydrophobicContact CE2-CD2 3.75Å; F672-F710 HydrophobicContact CE2-CE2 4.1Å; F672-F710 AromaticContact CZ-CD2 3.67Å; F672-F710 HydrophobicContact CZ-CD2 3.67Å; F672-F710 AromaticContact CZ-CE2 3.52Å; F672-F710 HydrophobicContact CZ-CE2 3.52Å; F672-F710 HydrophobicContact CZ-CZ 4.33Å; F672-R713 HydrophobicContact CB-CB 3.86Å; F672-R713 HydrophobicContact CD2-CB 3.46Å; F672-R713 VanDerWaalsContact CD2-CB 3.46Å; F672-R713 HydrophobicContact CD2-CG 4.35Å; F672-R713 HydrophobicContact CE2-CB 4.15Å; F672-R713 HydrophobicContact CG-CB 3.73Å; F672-A714 HydrophobicContact CE1-CB 4.05Å; F672-A714 HydrophobicContact CZ-CB 3.9Å; F672-H718 AromaticContact CD1-CE1 3.68Å; F672-H718 AromaticContact CD1-ND1 3.44Å; F672-H718 WeakPolarHBondContact CD1-ND1 3.35Å; F672-H718 HydrophobicContact CE1-CB 4.29Å; F672-H718 AromaticContact CE1-CG 4Å; F672-H718 AromaticContact CE1-ND1 3.35Å; F672-H718 WeakPolarHBondContact CE1-ND1 3.44Å; F672-Q727 HydrophobicContact CD1-CG 4.02Å; F672-Q727 HydrophobicContact CE1-CB 4.17Å; F672-Q727 HydrophobicContact CE1-CG 3.93Å
673	C	79.2	Confident	83.1	Confident	17 Å²	17	28.7 Å²	28.7	12%	0.115	17%	0.166	C	C	.	.	S	Bend	trans	-79.9	115.7	167.6	-171.7	0	0	0	0	109.1	I634 C670 I671 D675 A676	I634-C673 HydrophobicContact CD1-CB 3.77Å; C670-C673 VanDerWaalsContact O-CB 3.24Å; C670-C673 WeakPolarHBondContact O-CB 3.3Å; C670-C673 PolarHBondContact O-N 3.04Å; C670-C673 VanDerWaalsContact O-N 3.15Å; I671-C673 PolarHBondContact O-N 2.94Å; C673-D675 PolarHBondContact O-N 3.44Å; C673-A676 HydrophobicContact CB-CB 4.41Å; C673-A676 VanDerWaalsContact O-CB 3.23Å; C673-A676 WeakPolarHBondContact O-CB 3.45Å; C673-A676 PolarHBondContact O-N 2.9Å
674	N	68.7	Low	82.8	Confident	131 Å²	131	30 Å²	30	70%	0.701	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.2	-177.8	-71.4	-18.1	0	0	0	114.2	F672	F672-N674 PolarHBondContact O-N 3.26Å
675	D	70	Confident	82.7	Confident	32 Å²	32	34.8 Å²	34.8	17%	0.171	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.5	-178.6	-57.7	-57.4	0	0	0	114.4	R627 V631 C673 Q677 P678	R627-D675 WeakPolarHBondContact CD-OD2 3.38Å; R627-D675 WeakPolarHBondContact CG-OD2 3.4Å; R627-D675 IonicContact CZ-OD1 3.91Å; R627-D675 IonicContact CZ-OD2 3.63Å; R627-D675 IonicContact NE-OD1 2.9Å; R627-D675 PolarHBondContact NE-OD1 3.28Å; R627-D675 IonicContact NE-OD2 3.44Å; R627-D675 PolarHBondContact NE-OD2 3.48Å; R627-D675 IonicContact NH2-OD1 2.59Å; R627-D675 PolarHBondContact NH2-OD1 3.06Å; V631-D675 HydrophobicContact CG2-CB 3.48Å; V631-D675 VanDerWaalsContact CG2-CB 3.48Å; C673-D675 PolarHBondContact O-N 3.44Å; D675-Q677 PolarHBondContact O-N 3.27Å; D675-P678 WeakPolarHBondContact O-CD 3.43Å
676	A	70.4	Confident	82.7	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.025	20%	0.201	C	C	.	.			trans	-77.2	-0.9	-179.9	0	0	0	0	0	114.1	I634 C670 C673 P678 H679 S680 L683	I634-A676 HydrophobicContact CD1-CB 3.98Å; C670-A676 WeakPolarHBondContact O-CB 3.42Å; C673-A676 HydrophobicContact CB-CB 4.41Å; C673-A676 VanDerWaalsContact O-CB 3.23Å; C673-A676 WeakPolarHBondContact O-CB 3.45Å; C673-A676 PolarHBondContact O-N 2.9Å; A676-P678 VanDerWaalsContact C-N 3.3Å; A676-P678 VanDerWaalsContact O-N 3.17Å; A676-H679 CarbonylContact O-C 3.6Å; A676-H679 PolarHBondContact O-N 3.37Å; A676-S680 PolarHBondContact O-N 3.46Å; A676-L683 HydrophobicContact CB-CD1 4.07Å
677	Q	71.9	Confident	82.6	Confident	117 Å²	117	35.1 Å²	35.1	55%	0.547	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-47.5	-41.3	-179.5	-69.3	-67.2	-20.4	0	0	114.4	D675 H679 S680	D675-Q677 PolarHBondContact O-N 3.27Å; Q677-H679 PolarHBondContact O-N 3.24Å; Q677-S680 WeakPolarHBondContact O-CB 3.38Å; Q677-S680 PolarHBondContact O-N 3.02Å; Q677-S680 PolarHBondContact O-OG 2.94Å
678	P	78.1	Confident	82.4	Confident	94 Å²	94	38 Å²	38	61%	0.61	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-63.6	-20.2	178.6	-22.2	34.6	0	0	0	114.8	D675 A676	D675-P678 WeakPolarHBondContact O-CD 3.43Å; A676-P678 VanDerWaalsContact C-N 3.3Å; A676-P678 VanDerWaalsContact O-N 3.17Å
679	H	81.6	Confident	82.5	Confident	32 Å²	32	39.7 Å²	39.7	15%	0.148	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-114.7	15	-176.5	-57.2	-61	0	0	0	112.4	I634 V638 A676 Q677 S681 S682 L683	I634-H679 HydrophobicContact CG2-CB 4.18Å; V638-H679 HydrophobicContact CG2-CB 4.24Å; A676-H679 CarbonylContact O-C 3.6Å; A676-H679 PolarHBondContact O-N 3.37Å; Q677-H679 PolarHBondContact O-N 3.24Å; H679-S681 PolarHBondContact O-N 3.11Å; H679-S682 PolarHBondContact O-N 3.36Å; H679-L683 WeakPolarHBondContact O-CG 3.46Å; H679-L683 PolarHBondContact O-N 3.44Å
680	S	80.3	Confident	82.7	Confident	29 Å²	29	39.5 Å²	39.5	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-56.5	-47.3	-175.6	48.4	0	0	0	0	112.9	A676 Q677 L683 V684	A676-S680 PolarHBondContact O-N 3.46Å; Q677-S680 WeakPolarHBondContact O-CB 3.38Å; Q677-S680 PolarHBondContact O-N 3.02Å; Q677-S680 PolarHBondContact O-OG 2.94Å; S680-L683 PolarHBondContact O-N 3.47Å; S680-V684 VanDerWaalsContact O-CG2 3.32Å; S680-V684 WeakPolarHBondContact O-CG2 3.25Å; S680-V684 PolarHBondContact O-N 3.17Å; S680-V684 VanDerWaalsContact O-N 3.08Å
681	S	84.8	Confident	82.5	Confident	74 Å²	74	43.2 Å²	43.2	52%	0.517	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-49.4	178.4	52.7	0	0	0	0	112.1	H679 L683 V684 D685	H679-S681 PolarHBondContact O-N 3.11Å; S681-L683 VanDerWaalsContact C-N 3.33Å; S681-L683 PolarHBondContact O-N 3.34Å; S681-V684 WeakPolarHBondContact O-CB 2.87Å; S681-V684 PolarHBondContact O-N 3.49Å; S681-V684 VanDerWaalsContact O-N 3.09Å; S681-D685 PolarHBondContact O-N 2.93Å
682	S	87.8	Confident	82.5	Confident	39 Å²	39	48.6 Å²	48.6	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-37.2	-179.6	-48.2	0	0	0	0	112.4	H679 V684 D685 L686	H679-S682 PolarHBondContact O-N 3.36Å; S682-V684 VanDerWaalsContact C-N 3.29Å; S682-V684 PolarHBondContact O-N 3.48Å; S682-D685 PolarHBondContact O-N 3.34Å; S682-L686 VanDerWaalsContact O-CG 3.27Å; S682-L686 WeakPolarHBondContact O-CG 3.44Å; S682-L686 PolarHBondContact O-N 2.97Å
683	L	88.1	Confident	82.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-33.7	174.3	-71.6	169.9	0	0	0	112.3	I634 V638 L667 C670 I671 A676 H679 S680 S681 L687	I634-L683 HydrophobicContact CG2-CD1 4.32Å; V638-L683 HydrophobicContact CG2-CD2 3.79Å; V638-L683 HydrophobicContact CG2-CG 4.06Å; L667-L683 HydrophobicContact CD2-CD2 4.44Å; C670-L683 HydrophobicContact CB-CD1 4.19Å; C670-L683 HydrophobicContact CB-CD2 3.76Å; I671-L683 HydrophobicContact CD1-CB 4.47Å; I671-L683 HydrophobicContact CG1-CB 4.06Å; I671-L683 HydrophobicContact CG1-CD1 4Å; I671-L683 HydrophobicContact CG1-CD2 4.46Å; I671-L683 HydrophobicContact CG1-CG 4.41Å; A676-L683 HydrophobicContact CB-CD1 4.07Å; H679-L683 WeakPolarHBondContact O-CG 3.46Å; H679-L683 PolarHBondContact O-N 3.44Å; S680-L683 PolarHBondContact O-N 3.47Å; S681-L683 VanDerWaalsContact C-N 3.33Å; S681-L683 PolarHBondContact O-N 3.34Å; L683-L687 WeakPolarHBondContact O-CG 3.46Å; L683-L687 PolarHBondContact O-N 2.6Å; L683-L687 VanDerWaalsContact O-N 3.12Å
684	V	86.1	Confident	82.5	Confident	26 Å²	26	49.7 Å²	49.7	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-47.1	172.7	173.5	0	0	0	0	110.5	S680 S681 S682 L686 L687 D688 P726 A729	S680-V684 VanDerWaalsContact O-CG2 3.32Å; S680-V684 WeakPolarHBondContact O-CG2 3.25Å; S680-V684 PolarHBondContact O-N 3.17Å; S680-V684 VanDerWaalsContact O-N 3.08Å; S681-V684 WeakPolarHBondContact O-CB 2.87Å; S681-V684 PolarHBondContact O-N 3.49Å; S681-V684 VanDerWaalsContact O-N 3.09Å; S682-V684 VanDerWaalsContact C-N 3.29Å; S682-V684 PolarHBondContact O-N 3.48Å; V684-L686 VanDerWaalsContact C-N 3.25Å; V684-L686 PolarHBondContact O-N 3.48Å; V684-L687 PolarHBondContact O-N 3Å; V684-L687 VanDerWaalsContact O-N 3.16Å; V684-D688 PolarHBondContact O-N 3.41Å; V684-P726 HydrophobicContact CG2-CB 4.09Å; V684-A729 HydrophobicContact CB-CB 4.32Å; V684-A729 HydrophobicContact CG1-CB 4.03Å; V684-A729 HydrophobicContact CG2-CB 3.86Å
685	D	88.4	Confident	82.7	Confident	102 Å²	102	44.7 Å²	44.7	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-39.9	177.5	-62.4	-28.7	0	0	0	111.6	S681 S682 D688 L689	S681-D685 PolarHBondContact O-N 2.93Å; S682-D685 PolarHBondContact O-N 3.34Å; D685-D688 PolarHBondContact O-N 3.19Å; D685-L689 PolarHBondContact O-N 3Å
686	L	90.9	Very high	82.6	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-44	176.5	-69.8	-173.9	0	0	0	112.8	V638 W642 L667 S682 V684 D688 L689 F690	V638-L686 HydrophobicContact CG2-CD1 4.43Å; W642-L686 HydrophobicContact CB-CD2 3.5Å; W642-L686 VanDerWaalsContact CB-CD2 3.5Å; W642-L686 HydrophobicContact CD2-CD1 4.46Å; W642-L686 HydrophobicContact CD2-CD2 4.37Å; W642-L686 HydrophobicContact CG-CD1 4.14Å; W642-L686 HydrophobicContact CG-CD2 3.41Å; W642-L686 VanDerWaalsContact CG-CD2 3.41Å; W642-L686 HydrophobicContact CG-CG 4.3Å; L667-L686 HydrophobicContact CD1-CB 4.44Å; L667-L686 HydrophobicContact CD2-CB 4.32Å; L667-L686 HydrophobicContact CD2-CD1 4Å; S682-L686 VanDerWaalsContact O-CG 3.27Å; S682-L686 WeakPolarHBondContact O-CG 3.44Å; S682-L686 PolarHBondContact O-N 2.97Å; V684-L686 VanDerWaalsContact C-N 3.25Å; V684-L686 PolarHBondContact O-N 3.48Å; L686-D688 PolarHBondContact O-N 3.38Å; L686-L689 HydrophobicContact CD2-CD1 4.04Å; L686-L689 WeakPolarHBondContact O-CB 3.24Å; L686-L689 PolarHBondContact O-N 3.34Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å
687	L	89.6	Confident	82.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-33.5	175.3	-76.2	174.9	0	0	0	112.4	L664 L667 F668 I671 L683 V684 L689 F690 A729 A730 A733	L664-L687 HydrophobicContact CD2-CD2 4.33Å; L667-L687 HydrophobicContact CB-CD2 4.24Å; L667-L687 HydrophobicContact CD1-CD2 3.99Å; F668-L687 HydrophobicContact CE1-CD2 4.12Å; I671-L687 HydrophobicContact CD1-CD1 3.23Å; I671-L687 HydrophobicContact CD1-CD2 4.27Å; I671-L687 HydrophobicContact CD1-CG 3.87Å; L683-L687 WeakPolarHBondContact O-CG 3.46Å; L683-L687 PolarHBondContact O-N 2.6Å; L683-L687 VanDerWaalsContact O-N 3.12Å; V684-L687 PolarHBondContact O-N 3Å; V684-L687 VanDerWaalsContact O-N 3.16Å; L687-L689 PolarHBondContact O-N 3.3Å; L687-F690 PolarHBondContact O-N 3.07Å; L687-A729 HydrophobicContact CD1-CB 3.71Å; L687-A730 HydrophobicContact CD1-CB 3.95Å; L687-A730 VanDerWaalsContact CD1-N 3.26Å; L687-A733 HydrophobicContact CD2-CB 4.38Å
688	D	87.9	Confident	82.8	Confident	61 Å²	61	39 Å²	39	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-28.3	177.5	-81.6	-1.3	0	0	0	112.4	V684 D685 L686 F690 K691	V684-D688 PolarHBondContact O-N 3.41Å; D685-D688 PolarHBondContact O-N 3.19Å; L686-D688 PolarHBondContact O-N 3.38Å; D688-F690 VanDerWaalsContact C-N 3.28Å; D688-F690 PolarHBondContact O-N 3.14Å; D688-K691 HydrophobicContact CB-CD 4.5Å; D688-K691 WeakPolarHBondContact O-CB 3.48Å; D688-K691 PolarHBondContact O-N 3.01Å; D688-K691 WeakPolarHBondContact OD1-CE 3.07Å; D688-K691 IonicContact OD1-NZ 3.85Å; D688-K691 PolarHBondContact OD1-NZ 3.09Å; D688-K691 IonicContact OD2-NZ 2.72Å
689	L	90.4	Very high	82.7	Confident	35 Å²	35	36.9 Å²	36.9	18%	0.183	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-36.6	170.8	-62	172.2	0	0	0	112	W642 T643 V646 D685 L686 L687 K691 L692	W642-L689 HydrophobicContact CB-CD1 3.63Å; T643-L689 HydrophobicContact CG2-CD2 4.44Å; V646-L689 HydrophobicContact CG2-CB 4.06Å; D685-L689 PolarHBondContact O-N 3Å; L686-L689 HydrophobicContact CD2-CD1 4.04Å; L686-L689 WeakPolarHBondContact O-CB 3.24Å; L686-L689 PolarHBondContact O-N 3.34Å; L687-L689 PolarHBondContact O-N 3.3Å; L689-K691 PolarHBondContact O-N 2.65Å; L689-L692 WeakPolarHBondContact O-CB 3.15Å; L689-L692 WeakPolarHBondContact O-CG 2.82Å; L689-L692 PolarHBondContact O-N 3.13Å; L689-L692 VanDerWaalsContact O-N 3.16Å
690	F	89.4	Confident	82.5	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-73.5	-9.2	-179.8	-72.7	-96.9	0	0	0	113.4	W642 F645 V646 I660 A663 L664 L667 L686 L687 D688 L692 V693	W642-F690 HydrophobicContact CE3-CE2 4.04Å; W642-F690 HydrophobicContact CE3-CZ 4.03Å; W642-F690 HydrophobicContact CZ3-CE2 4.27Å; W642-F690 AromaticContact CZ3-CZ 3.94Å; W642-F690 HydrophobicContact CZ3-CZ 3.94Å; F645-F690 HydrophobicContact CD1-CZ 4.23Å; F645-F690 HydrophobicContact CE1-CE1 4.04Å; F645-F690 AromaticContact CE1-CZ 3.83Å; F645-F690 HydrophobicContact CE1-CZ 3.83Å; V646-F690 HydrophobicContact CG2-CD2 4.37Å; V646-F690 HydrophobicContact CG2-CE1 4.36Å; V646-F690 HydrophobicContact CG2-CE2 4.1Å; V646-F690 HydrophobicContact CG2-CZ 4.11Å; I660-F690 HydrophobicContact CG2-CD1 4.07Å; I660-F690 HydrophobicContact CG2-CE1 4.07Å; A663-F690 HydrophobicContact CB-CE1 4.02Å; A663-F690 HydrophobicContact CB-CZ 3.8Å; L664-F690 HydrophobicContact CD1-CD1 4.41Å; L664-F690 HydrophobicContact CD2-CB 4.1Å; L664-F690 HydrophobicContact CD2-CD1 3.74Å; L664-F690 HydrophobicContact CD2-CD2 4.24Å; L664-F690 HydrophobicContact CD2-CE1 4.21Å; L664-F690 HydrophobicContact CD2-CG 3.75Å; L664-F690 HydrophobicContact CG-CD1 3.96Å; L664-F690 HydrophobicContact CG-CE1 4.15Å; L664-F690 HydrophobicContact CG-CG 4.48Å; L667-F690 HydrophobicContact CD1-CD2 3.97Å; L667-F690 HydrophobicContact CD1-CE2 3.53Å; L667-F690 HydrophobicContact CD1-CZ 4.24Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å; L687-F690 PolarHBondContact O-N 3.07Å; D688-F690 VanDerWaalsContact C-N 3.28Å; D688-F690 PolarHBondContact O-N 3.14Å; F690-L692 PolarHBondContact O-N 3.24Å; F690-V693 HydrophobicContact CD1-CG2 4.28Å; F690-V693 WeakPolarHBondContact O-CB 3.45Å; F690-V693 WeakPolarHBondContact O-CG2 3.45Å; F690-V693 PolarHBondContact O-N 3.23Å; F690-V693 VanDerWaalsContact O-N 3.08Å
691	K	84.7	Confident	82.6	Confident	78 Å²	78	42.7 Å²	42.7	34%	0.339	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-65.9	-16.7	168.5	-65.3	173.4	173.9	163.9	0	112.6	D688 L689 V693 H736	D688-K691 HydrophobicContact CB-CD 4.5Å; D688-K691 WeakPolarHBondContact O-CB 3.48Å; D688-K691 PolarHBondContact O-N 3.01Å; D688-K691 WeakPolarHBondContact OD1-CE 3.07Å; D688-K691 IonicContact OD1-NZ 3.85Å; D688-K691 PolarHBondContact OD1-NZ 3.09Å; D688-K691 IonicContact OD2-NZ 2.72Å; L689-K691 PolarHBondContact O-N 2.65Å; K691-V693 VanDerWaalsContact C-N 3.27Å; K691-H736 PolarHBondContact O-CE1 2.75Å; K691-H736 VanDerWaalsContact O-CE1 3.25Å; K691-H736 PolarHBondContact O-NE2 2.95Å
692	L	84.6	Confident	82.5	Confident	114 Å²	114	40.9 Å²	40.9	60%	0.597	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-72.4	-20.9	172.2	-60.6	174.4	0	0	0	112.6	V646 L650 L689 F690	V646-L692 HydrophobicContact CG1-CB 4.33Å; V646-L692 HydrophobicContact CG1-CD1 4.3Å; L650-L692 HydrophobicContact CD1-CB 3.83Å; L689-L692 WeakPolarHBondContact O-CB 3.15Å; L689-L692 WeakPolarHBondContact O-CG 2.82Å; L689-L692 PolarHBondContact O-N 3.13Å; L689-L692 VanDerWaalsContact O-N 3.16Å; F690-L692 PolarHBondContact O-N 3.24Å
693	V	83.7	Confident	82.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.22	C	C	.	.	S	Bend	trans	-65.7	127.8	173.3	-177.9	0	0	0	0	108.3	L650 L653 I660 F690 K691 T697 H736 L737	L650-V693 HydrophobicContact CD2-CG2 4.33Å; L653-V693 HydrophobicContact CD1-CG1 4.48Å; I660-V693 HydrophobicContact CD1-CG2 4.36Å; I660-V693 HydrophobicContact CG2-CG2 4.27Å; F690-V693 HydrophobicContact CD1-CG2 4.28Å; F690-V693 WeakPolarHBondContact O-CB 3.45Å; F690-V693 WeakPolarHBondContact O-CG2 3.45Å; F690-V693 PolarHBondContact O-N 3.23Å; F690-V693 VanDerWaalsContact O-N 3.08Å; K691-V693 VanDerWaalsContact C-N 3.27Å; V693-T697 HydrophobicContact CG1-CG2 4.49Å; V693-H736 PolarHBondContact O-NE2 3.4Å; V693-L737 HydrophobicContact CB-CD2 3.87Å; V693-L737 HydrophobicContact CG1-CD2 3.83Å
694	P	75.3	Confident	82.2	Confident	56 Å²	56	46.4 Å²	46.4	36%	0.364	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-56.2	151.1	178.8	-23.5	33	0	0	0	111.4	L653 T697	L653-P694 HydrophobicContact CD2-CG 3.83Å; P694-T697 VanDerWaalsContact C-OG1 3.25Å; P694-T697 WeakPolarHBondContact CB-OG1 3.48Å; P694-T697 WeakPolarHBondContact O-CB 3.19Å; P694-T697 PolarHBondContact O-OG1 3.45Å
695	K	73.7	Confident	82	Confident	27 Å²	27	49 Å²	49	12%	0.117	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	156.7	179.6	-48.8	-170.9	172.4	-156.8	0	110.5	T697 H736 C739 D741 V743 H747	K695-T697 PolarHBondContact O-N 3.19Å; K695-H736 WeakPolarHBondContact CB-O 3.37Å; K695-H736 WeakPolarHBondContact CE-ND1 3.34Å; K695-H736 WeakPolarHBondContact CG-O 3.26Å; K695-C739 WeakPolarHBondContact CB-SG 3.41Å; K695-D741 IonicContact NZ-OD1 3.93Å; K695-D741 PolarHBondContact NZ-OD1 2.91Å; K695-D741 IonicContact NZ-OD2 3.31Å; K695-D741 PolarHBondContact NZ-OD2 2.75Å; K695-V743 VanDerWaalsContact NZ-CB 3.32Å; K695-H747 PolarHBondContact O-CE1 2.91Å; K695-H747 PolarHBondContact O-NE2 3.49Å; K695-H747 VanDerWaalsContact O-NE2 3.14Å
696	A	67.3	Low	81.9	Confident	10 Å²	10	44.1 Å²	44.1	8%	0.083	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	17.9	-177.5	0	0	0	0	0	115.3	V699 L737 C739 V752	A696-V699 VanDerWaalsContact O-CG1 3.3Å; A696-V699 WeakPolarHBondContact O-CG1 3.43Å; A696-L737 VanDerWaalsContact CA-O 3.31Å; A696-L737 WeakPolarHBondContact CA-O 3.43Å; A696-L737 PolarHBondContact N-O 3.48Å; A696-C739 WeakPolarHBondContact CB-SG 3.48Å; A696-C739 PolarHBondContact N-SG 3.4Å; A696-V752 HydrophobicContact CB-CG1 4.28Å
697	T	71.5	Confident	81.7	Confident	20 Å²	20	43.7 Å²	43.7	12%	0.123	23%	0.23	C	C	.	.			trans	-73.1	-43.2	179.3	-50.9	0	0	0	0	110.8	L653 M657 V693 P694 K695 V699	L653-T697 HydrophobicContact CD1-CG2 3.97Å; L653-T697 HydrophobicContact CD2-CG2 3.8Å; L653-T697 HydrophobicContact CG-CG2 3.83Å; M657-T697 WeakPolarHBondContact CE-O 3.48Å; M657-T697 HydrophobicContact CG-CG2 4.08Å; M657-T697 HydrophobicContact SD-CG2 4.05Å; V693-T697 HydrophobicContact CG1-CG2 4.49Å; P694-T697 VanDerWaalsContact C-OG1 3.25Å; P694-T697 WeakPolarHBondContact CB-OG1 3.48Å; P694-T697 WeakPolarHBondContact O-CB 3.19Å; P694-T697 PolarHBondContact O-OG1 3.45Å; K695-T697 PolarHBondContact O-N 3.19Å; T697-V699 PolarHBondContact O-N 3.44Å
698	I	75.7	Confident	81.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.251	C	S	.	.	S	Bend	trans	-77.7	99.5	-177.3	-53.5	-177.4	0	0	0	110	I660 A661 L664 N702 R703 L706 L737 M738	I660-I698 HydrophobicContact CG2-CD1 4.23Å; A661-I698 HydrophobicContact CB-CG2 4.42Å; L664-I698 HydrophobicContact CD1-CD1 3.47Å; L664-I698 VanDerWaalsContact CD1-CD1 3.47Å; I698-N702 HydrophobicContact CG2-CB 4.06Å; I698-R703 HydrophobicContact CG2-CB 4.28Å; I698-R703 WeakPolarHBondContact O-CB 3.45Å; I698-L706 HydrophobicContact CD1-CD2 4.05Å; I698-L737 HydrophobicContact CD1-CD1 3.93Å; I698-L737 HydrophobicContact CD1-CD2 4.27Å; I698-M738 HydrophobicContact CB-CE 4.21Å; I698-M738 HydrophobicContact CG2-CE 4.45Å
699	V	74.3	Confident	81.1	Confident	49 Å²	49	46.6 Å²	46.6	30%	0.297	24%	0.243	S	C	.	.			trans	-118.4	175.9	-177.9	-56.5	0	0	0	0	113.1	M657 A696 T697 R703 V752	M657-V699 HydrophobicContact CE-CG2 3.96Å; A696-V699 VanDerWaalsContact O-CG1 3.3Å; A696-V699 WeakPolarHBondContact O-CG1 3.43Å; T697-V699 PolarHBondContact O-N 3.44Å; V699-R703 PolarHBondContact O-N 3.1Å; V699-V752 HydrophobicContact CG1-CG1 3.34Å
700	G	79.2	Confident	80.8	Confident	39 Å²	39	45 Å²	45	40%	0.402	23%	0.234	S	C	.	.	H	α-helix	trans	63.2	-139	172.9	0	0	0	0	0	114	N702 R703 Q704	G700-N702 PolarHBondContact O-N 3.15Å; G700-R703 WeakPolarHBondContact O-CB 3.27Å; G700-R703 PolarHBondContact O-N 3.44Å; G700-Q704 PolarHBondContact O-N 2.87Å
701	E	82	Confident	80.4	Confident	144 Å²	144	46.3 Å²	46.3	67%	0.673	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-37.3	-178.8	-64.2	-174.3	172.4	0	0	112.6	R703 Q704 Q705	E701-R703 VanDerWaalsContact C-N 3.3Å; E701-R703 PolarHBondContact O-N 3.41Å; E701-Q704 PolarHBondContact O-N 2.96Å; E701-Q704 VanDerWaalsContact O-N 3.11Å; E701-Q705 WeakPolarHBondContact O-CG 3.48Å; E701-Q705 PolarHBondContact O-N 2.9Å
702	N	82	Confident	80	Confident	36 Å²	36	51.6 Å²	51.6	19%	0.193	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-41.6	179	-69.1	-34.1	0	0	0	111.7	A661 I698 G700 Q705 L706	A661-N702 HydrophobicContact CB-CB 3.88Å; I698-N702 HydrophobicContact CG2-CB 4.06Å; G700-N702 PolarHBondContact O-N 3.15Å; N702-Q705 PolarHBondContact O-N 3.23Å; N702-L706 WeakPolarHBondContact O-CB 2.9Å; N702-L706 PolarHBondContact O-N 2.9Å
703	R	86	Confident	79.6	Confident	30 Å²	30	51.2 Å²	51.2	11%	0.113	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-48.3	174	-178.4	-179.3	66.1	-167.9	0.3	111.3	I698 V699 G700 E701 Q705 L706 L707 M738 S756	I698-R703 HydrophobicContact CG2-CB 4.28Å; I698-R703 WeakPolarHBondContact O-CB 3.45Å; V699-R703 PolarHBondContact O-N 3.1Å; G700-R703 WeakPolarHBondContact O-CB 3.27Å; G700-R703 PolarHBondContact O-N 3.44Å; E701-R703 VanDerWaalsContact C-N 3.3Å; E701-R703 PolarHBondContact O-N 3.41Å; R703-Q705 VanDerWaalsContact C-N 3.35Å; R703-Q705 PolarHBondContact O-N 3.39Å; R703-L706 PolarHBondContact O-N 2.96Å; R703-L707 HydrophobicContact CG-CD1 3.84Å; R703-L707 HydrophobicContact CG-CG 4.41Å; R703-L707 VanDerWaalsContact O-CB 3.27Å; R703-L707 WeakPolarHBondContact O-CB 3.43Å; R703-L707 VanDerWaalsContact O-CG 3.26Å; R703-L707 WeakPolarHBondContact O-CG 3.43Å; R703-L707 PolarHBondContact O-N 3.02Å; R703-M738 HydrophobicContact CG-CE 3.85Å; R703-M738 HydrophobicContact CG-SD 3.77Å; R703-S756 PolarHBondContact NH1-OG 3.38Å
704	Q	82.7	Confident	79.1	Confident	126 Å²	126	51.7 Å²	51.7	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-63.5	-41.3	-178.2	-69.2	177.2	-11.1	0	0	111.6	G700 E701 L708	G700-Q704 PolarHBondContact O-N 2.87Å; E701-Q704 PolarHBondContact O-N 2.96Å; E701-Q704 VanDerWaalsContact O-N 3.11Å; Q704-L708 WeakPolarHBondContact O-CB 3.23Å; Q704-L708 PolarHBondContact O-N 3.38Å
705	Q	83.7	Confident	78.7	Confident	79 Å²	79	51 Å²	51	37%	0.369	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-49.4	176.9	-70.9	179.9	11.2	0	0	111.8	E701 N702 R703 L707 L708 Y709	E701-Q705 WeakPolarHBondContact O-CG 3.48Å; E701-Q705 PolarHBondContact O-N 2.9Å; N702-Q705 PolarHBondContact O-N 3.23Å; R703-Q705 VanDerWaalsContact C-N 3.35Å; R703-Q705 PolarHBondContact O-N 3.39Å; Q705-L707 VanDerWaalsContact C-N 3.34Å; Q705-L707 PolarHBondContact O-N 3.5Å; Q705-L708 PolarHBondContact O-N 3.3Å; Q705-Y709 WeakPolarHBondContact O-CB 3.43Å; Q705-Y709 PolarHBondContact O-N 2.91Å
706	L	85.9	Confident	78.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-44.6	179.2	-175.6	66	0	0	0	111.9	L664 E665 F668 I698 N702 R703 Y709 F710 L734	L664-L706 HydrophobicContact CB-CD1 3.63Å; L664-L706 HydrophobicContact CB-CD2 4.34Å; L664-L706 HydrophobicContact CD1-CD2 3.93Å; E665-L706 HydrophobicContact CG-CD1 3.88Å; F668-L706 HydrophobicContact CD2-CD1 3.8Å; F668-L706 HydrophobicContact CE2-CD1 3.46Å; F668-L706 VanDerWaalsContact CE2-CD1 3.46Å; F668-L706 HydrophobicContact CE2-CD2 4.45Å; F668-L706 HydrophobicContact CE2-CG 3.93Å; F668-L706 HydrophobicContact CZ-CD1 4.37Å; I698-L706 HydrophobicContact CD1-CD2 4.05Å; N702-L706 WeakPolarHBondContact O-CB 2.9Å; N702-L706 PolarHBondContact O-N 2.9Å; R703-L706 PolarHBondContact O-N 2.96Å; L706-Y709 PolarHBondContact O-N 3.26Å; L706-F710 WeakPolarHBondContact O-CB 3.22Å; L706-F710 PolarHBondContact O-N 2.6Å; L706-L734 HydrophobicContact CD2-CD2 3.79Å; L706-L734 HydrophobicContact CG-CD2 4.18Å
707	L	85.5	Confident	78	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-41	178.2	-76.5	-179.5	0	0	0	112.4	R703 Q705 Y709 F710 S711 A759 L760 V763	R703-L707 HydrophobicContact CG-CD1 3.84Å; R703-L707 HydrophobicContact CG-CG 4.41Å; R703-L707 VanDerWaalsContact O-CB 3.27Å; R703-L707 WeakPolarHBondContact O-CB 3.43Å; R703-L707 VanDerWaalsContact O-CG 3.26Å; R703-L707 WeakPolarHBondContact O-CG 3.43Å; R703-L707 PolarHBondContact O-N 3.02Å; Q705-L707 VanDerWaalsContact C-N 3.34Å; Q705-L707 PolarHBondContact O-N 3.5Å; L707-Y709 VanDerWaalsContact C-N 3.3Å; L707-Y709 PolarHBondContact O-N 3.47Å; L707-F710 PolarHBondContact O-N 3.4Å; L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.39Å; L707-S711 PolarHBondContact O-OG 2.82Å; L707-A759 HydrophobicContact CD1-CB 3.45Å; L707-A759 VanDerWaalsContact CD1-CB 3.45Å; L707-L760 HydrophobicContact CD2-CB 4.38Å; L707-L760 HydrophobicContact CD2-CD1 3.79Å; L707-V763 HydrophobicContact CB-CG2 3.95Å; L707-V763 HydrophobicContact CD2-CG2 4.38Å
708	L	83.3	Confident	77.8	Confident	85 Å²	85	53.3 Å²	53.3	45%	0.445	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-37	174	-178.3	66.1	0	0	0	111.6	Q704 Q705 S711 R712	Q704-L708 WeakPolarHBondContact O-CB 3.23Å; Q704-L708 PolarHBondContact O-N 3.38Å; Q705-L708 PolarHBondContact O-N 3.3Å; L708-S711 PolarHBondContact O-OG 3.03Å; L708-R712 VanDerWaalsContact O-CG 3.32Å; L708-R712 WeakPolarHBondContact O-CG 3.32Å; L708-R712 PolarHBondContact O-N 2.71Å
709	Y	82.7	Confident	77.4	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-47.7	176.4	-165.4	-92.9	0	0	0	111.2	E665 F668 S669 Q705 L706 L707 R712 R713	E665-Y709 HydrophobicContact CG-CG 4.33Å; F668-Y709 HydrophobicContact CB-CD1 4.08Å; F668-Y709 HydrophobicContact CB-CE1 4.13Å; S669-Y709 WeakPolarHBondContact CB-OH 3.28Å; S669-Y709 WeakPolarHBondContact OG-CE1 3.21Å; S669-Y709 PolarHBondContact OG-OH 2.7Å; Q705-Y709 WeakPolarHBondContact O-CB 3.43Å; Q705-Y709 PolarHBondContact O-N 2.91Å; L706-Y709 PolarHBondContact O-N 3.26Å; L707-Y709 VanDerWaalsContact C-N 3.3Å; L707-Y709 PolarHBondContact O-N 3.47Å; Y709-R712 PolarHBondContact O-N 2.85Å; Y709-R713 HydrophobicContact CD1-CG 4.46Å; Y709-R713 HydrophobicContact CE1-CG 4.05Å; Y709-R713 WeakPolarHBondContact O-CG 3.31Å; Y709-R713 PolarHBondContact O-N 2.69Å; Y709-R713 PolarHBondContact OH-NE 3.29Å; Y709-R713 PolarHBondContact OH-NH2 3.43Å
710	F	84	Confident	76.7	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-47.2	175.5	-177.4	-91.3	0	0	0	111.3	F668 F672 L706 L707 R712 R713 A714 F731 L734 V763 I767	F668-F710 HydrophobicContact CD2-CB 4.36Å; F668-F710 HydrophobicContact CD2-CD2 4.26Å; F668-F710 HydrophobicContact CE2-CB 4.41Å; F668-F710 HydrophobicContact CE2-CD2 4.17Å; F672-F710 AromaticContact CE2-CD2 3.75Å; F672-F710 HydrophobicContact CE2-CD2 3.75Å; F672-F710 HydrophobicContact CE2-CE2 4.1Å; F672-F710 AromaticContact CZ-CD2 3.67Å; F672-F710 HydrophobicContact CZ-CD2 3.67Å; F672-F710 AromaticContact CZ-CE2 3.52Å; F672-F710 HydrophobicContact CZ-CE2 3.52Å; F672-F710 HydrophobicContact CZ-CZ 4.33Å; L706-F710 WeakPolarHBondContact O-CB 3.22Å; L706-F710 PolarHBondContact O-N 2.6Å; L707-F710 PolarHBondContact O-N 3.4Å; F710-R712 VanDerWaalsContact C-N 3.3Å; F710-R712 PolarHBondContact O-N 3.05Å; F710-R713 PolarHBondContact O-N 3.22Å; F710-R713 VanDerWaalsContact O-N 3.11Å; F710-A714 HydrophobicContact CD1-CB 3.94Å; F710-A714 HydrophobicContact CD2-CB 4.47Å; F710-A714 HydrophobicContact CE1-CB 3.64Å; F710-A714 HydrophobicContact CE2-CB 4.23Å; F710-A714 HydrophobicContact CG-CB 4.35Å; F710-A714 HydrophobicContact CZ-CB 3.8Å; F710-A714 VanDerWaalsContact O-CB 3.23Å; F710-A714 WeakPolarHBondContact O-CB 3.3Å; F710-A714 PolarHBondContact O-N 2.92Å; F710-F731 HydrophobicContact CE1-CD2 4.4Å; F710-F731 HydrophobicContact CZ-CB 4.43Å; F710-F731 AromaticContact CZ-CD2 3.88Å; F710-F731 HydrophobicContact CZ-CD2 3.88Å; F710-L734 HydrophobicContact CB-CD1 4.05Å; F710-L734 HydrophobicContact CD1-CD1 3.89Å; F710-L734 HydrophobicContact CD2-CD1 3.28Å; F710-L734 HydrophobicContact CE1-CD1 4.12Å; F710-L734 HydrophobicContact CE2-CD1 3.52Å; F710-L734 HydrophobicContact CG-CD1 3.47Å; F710-L734 VanDerWaalsContact CG-CD1 3.47Å; F710-L734 HydrophobicContact CZ-CD1 3.96Å; F710-V763 HydrophobicContact CD1-CG1 3.89Å; F710-V763 HydrophobicContact CE1-CG1 4.44Å; F710-I767 HydrophobicContact CD1-CD1 4.12Å; F710-I767 HydrophobicContact CE1-CD1 3.75Å
711	S	80.2	Confident	75.5	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-36.1	-177.3	75	0	0	0	0	113.2	L707 L708 R713	L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.39Å; L707-S711 PolarHBondContact O-OG 2.82Å; L708-S711 PolarHBondContact O-OG 3.03Å; S711-R713 VanDerWaalsContact C-N 3.31Å; S711-R713 PolarHBondContact O-N 3.17Å
712	R	77.7	Confident	74.3	Confident	190 Å²	190	61.1 Å²	61.1	72%	0.717	29%	0.285	S	S	*	.	H	α-helix	trans	-71.7	-22.3	178.1	-74.5	176.5	175.2	-176.3	0.5	114.1	L708 Y709 F710	L708-R712 VanDerWaalsContact O-CG 3.32Å; L708-R712 WeakPolarHBondContact O-CG 3.32Å; L708-R712 PolarHBondContact O-N 2.71Å; Y709-R712 PolarHBondContact O-N 2.85Å; F710-R712 VanDerWaalsContact C-N 3.3Å; F710-R712 PolarHBondContact O-N 3.05Å
713	R	75.4	Confident	72.7	Confident	106 Å²	106	67.1 Å²	67.1	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-111.4	-33.8	-171.1	-65.6	-68.6	-165.2	173.2	1.2	113.3	F672 Y709 F710 S711	F672-R713 HydrophobicContact CB-CB 3.86Å; F672-R713 HydrophobicContact CD2-CB 3.46Å; F672-R713 VanDerWaalsContact CD2-CB 3.46Å; F672-R713 HydrophobicContact CD2-CG 4.35Å; F672-R713 HydrophobicContact CE2-CB 4.15Å; F672-R713 HydrophobicContact CG-CB 3.73Å; Y709-R713 HydrophobicContact CD1-CG 4.46Å; Y709-R713 HydrophobicContact CE1-CG 4.05Å; Y709-R713 WeakPolarHBondContact O-CG 3.31Å; Y709-R713 PolarHBondContact O-N 2.69Å; Y709-R713 PolarHBondContact OH-NE 3.29Å; Y709-R713 PolarHBondContact OH-NH2 3.43Å; F710-R713 PolarHBondContact O-N 3.22Å; F710-R713 VanDerWaalsContact O-N 3.11Å; S711-R713 VanDerWaalsContact C-N 3.31Å; S711-R713 PolarHBondContact O-N 3.17Å
714	A	73.1	Confident	71.2	Confident	11 Å²	11	70.4 Å²	70.4	9%	0.091	34%	0.34	C	S	.	.			trans	-69.3	152.3	-179.9	0	0	0	0	0	111.2	F672 F710 I767	F672-A714 HydrophobicContact CE1-CB 4.05Å; F672-A714 HydrophobicContact CZ-CB 3.9Å; F710-A714 HydrophobicContact CD1-CB 3.94Å; F710-A714 HydrophobicContact CD2-CB 4.47Å; F710-A714 HydrophobicContact CE1-CB 3.64Å; F710-A714 HydrophobicContact CE2-CB 4.23Å; F710-A714 HydrophobicContact CG-CB 4.35Å; F710-A714 HydrophobicContact CZ-CB 3.8Å; F710-A714 VanDerWaalsContact O-CB 3.23Å; F710-A714 WeakPolarHBondContact O-CB 3.3Å; F710-A714 PolarHBondContact O-N 2.92Å; A714-I767 HydrophobicContact CB-CD1 3.8Å
715	T	67.6	Low	70.5	Confident	41 Å²	41	65.9 Å²	65.9	25%	0.252	32%	0.324	S	S	.	.			trans	-128.3	163.5	174.7	68.3	0	0	0	0	108.4	C717 H718	T715-C717 PolarHBondContact O-N 3.35Å; T715-C717 PolarHBondContact OG1-SG 2.91Å; T715-H718 PolarHBondContact N-ND1 3.06Å; T715-H718 WeakPolarHBondContact O-CA 3.09Å; T715-H718 VanDerWaalsContact O-CB 3.22Å; T715-H718 WeakPolarHBondContact O-CB 3.28Å; T715-H718 PolarHBondContact O-N 3.41Å; T715-H718 PolarHBondContact OG1-CD2 2.77Å; T715-H718 PolarHBondContact OG1-CE1 3.09Å; T715-H718 VanDerWaalsContact OG1-CE1 3.25Å; T715-H718 PolarHBondContact OG1-ND1 2.72Å; T715-H718 PolarHBondContact OG1-NE2 2.88Å
716	C	63.8	Low	70.1	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.034	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.1	-30	-179.8	175.5	0	0	0	0	113	H718 L719 I781 Q784	C716-H718 PolarHBondContact O-N 3.31Å; C716-L719 PolarHBondContact O-N 3.34Å; C716-I781 HydrophobicContact CB-CG1 4.48Å; C716-I781 WeakPolarHBondContact SG-CG1 2.77Å; C716-Q784 PolarHBondContact O-NE2 3.21Å; C716-Q784 PolarHBondContact SG-OE1 2.89Å; C716-Q784 VanDerWaalsContact SG-OE1 3.38Å
717	C	62.7	Low	69.6	Low	73 Å²	73	63.2 Å²	63.2	49%	0.493	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-68.6	-22	174.8	67.3	0	0	0	0	113	T715 L719 C720	T715-C717 PolarHBondContact O-N 3.35Å; T715-C717 PolarHBondContact OG1-SG 2.91Å; C717-L719 PolarHBondContact O-N 3.47Å; C717-C720 VanDerWaalsContact O-CB 3.28Å; C717-C720 WeakPolarHBondContact O-CB 3.22Å; C717-C720 PolarHBondContact O-N 2.89Å; C717-C720 PolarHBondContact O-SG 3.14Å
718	H	66.3	Low	69.1	Low	29 Å²	29	63.9 Å²	63.9	13%	0.134	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-74	-15.4	176	-59.2	164.2	0	0	0	113.2	F672 T715 C716 C720 Q727	F672-H718 AromaticContact CD1-CE1 3.68Å; F672-H718 AromaticContact CD1-ND1 3.44Å; F672-H718 WeakPolarHBondContact CD1-ND1 3.35Å; F672-H718 HydrophobicContact CE1-CB 4.29Å; F672-H718 AromaticContact CE1-CG 4Å; F672-H718 AromaticContact CE1-ND1 3.35Å; F672-H718 WeakPolarHBondContact CE1-ND1 3.44Å; T715-H718 PolarHBondContact N-ND1 3.06Å; T715-H718 WeakPolarHBondContact O-CA 3.09Å; T715-H718 VanDerWaalsContact O-CB 3.22Å; T715-H718 WeakPolarHBondContact O-CB 3.28Å; T715-H718 PolarHBondContact O-N 3.41Å; T715-H718 PolarHBondContact OG1-CD2 2.77Å; T715-H718 PolarHBondContact OG1-CE1 3.09Å; T715-H718 VanDerWaalsContact OG1-CE1 3.25Å; T715-H718 PolarHBondContact OG1-ND1 2.72Å; T715-H718 PolarHBondContact OG1-NE2 2.88Å; C716-H718 PolarHBondContact O-N 3.31Å; H718-C720 VanDerWaalsContact C-N 3.25Å; H718-C720 PolarHBondContact O-N 2.99Å; H718-Q727 HydrophobicContact CB-CB 3.77Å; H718-Q727 HydrophobicContact CB-CG 4.25Å
719	L	67.1	Low	68.9	Low	21 Å²	21	59.9 Å²	59.9	11%	0.11	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-84.6	4.4	175	-57.7	173	0	0	0	112.4	C716 C717 F731 I764 I767 F768	C716-L719 PolarHBondContact O-N 3.34Å; C717-L719 PolarHBondContact O-N 3.47Å; L719-F731 HydrophobicContact CD2-CD1 4.35Å; L719-F731 HydrophobicContact CD2-CD2 3.83Å; L719-F731 HydrophobicContact CD2-CE1 4.22Å; L719-F731 HydrophobicContact CD2-CE2 3.72Å; L719-F731 HydrophobicContact CD2-CG 4.15Å; L719-F731 HydrophobicContact CD2-CZ 3.92Å; L719-I764 HydrophobicContact CD1-CG2 4.33Å; L719-I767 HydrophobicContact CD1-CG2 4.07Å; L719-F768 HydrophobicContact CD1-CD1 4.18Å; L719-F768 HydrophobicContact CD1-CE1 3.49Å; L719-F768 VanDerWaalsContact CD1-CE1 3.49Å; L719-F768 HydrophobicContact CD1-CZ 4.02Å
720	C	59.9	Low	68.9	Low	35 Å²	35	58 Å²	58	24%	0.236	29%	0.287	C	S	.	.			trans	-80.1	151.5	-173.1	-63.6	0	0	0	0	115	C717 H718 E722 N728 L780 Q784	C717-C720 VanDerWaalsContact O-CB 3.28Å; C717-C720 WeakPolarHBondContact O-CB 3.22Å; C717-C720 PolarHBondContact O-N 2.89Å; C717-C720 PolarHBondContact O-SG 3.14Å; H718-C720 VanDerWaalsContact C-N 3.25Å; H718-C720 PolarHBondContact O-N 2.99Å; C720-E722 VanDerWaalsContact C-N 3.32Å; C720-E722 PolarHBondContact O-N 3.33Å; C720-N728 PolarHBondContact O-ND2 2.9Å; C720-L780 WeakPolarHBondContact SG-CD2 3.5Å; C720-Q784 PolarHBondContact SG-NE2 2.97Å
721	R	53.8	Low	68.8	Low	191 Å²	191	59 Å²	59	72%	0.721	29%	0.291	S	S	*	.			trans	-76	13	-175.3	-83.4	-175.3	171.2	174.8	-2.4	116.8	E723	R721-E723 PolarHBondContact O-N 3.06Å
722	E	56	Low	68.7	Low	150 Å²	150	61.7 Å²	61.7	70%	0.701	30%	0.297	S	S	*	.			trans	-80.3	111.8	170.9	-70.8	-174.5	-178.5	0	0	109.2	C720 S724 A725 N728	C720-E722 VanDerWaalsContact C-N 3.32Å; C720-E722 PolarHBondContact O-N 3.33Å; E722-S724 PolarHBondContact O-N 3.08Å; E722-S724 VanDerWaalsContact O-N 3.1Å; E722-A725 PolarHBondContact O-N 2.98Å; E722-N728 PolarHBondContact O-ND2 3.32Å; E722-N728 VanDerWaalsContact O-ND2 3.13Å
723	E	50.3	Low	69	Low	162 Å²	162	52.8 Å²	52.8	76%	0.757	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20	-170.6	-70	-176.8	152.6	0	0	114	R721 R732	R721-E723 PolarHBondContact O-N 3.06Å; E723-R732 PolarHBondContact O-NH2 3.15Å
724	S	53.4	Low	69.5	Low	99 Å²	99	47.7 Å²	47.7	69%	0.692	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.4	-173.1	55.8	0	0	0	0	115	E722	E722-S724 PolarHBondContact O-N 3.08Å; E722-S724 VanDerWaalsContact O-N 3.1Å
725	A	68.5	Low	69.8	Low	31 Å²	31	48.8 Å²	48.8	26%	0.256	25%	0.248	S	C	.	.			trans	-88.1	128.6	-178.5	0	0	0	0	0	111.4	E722 Q727 N728 A729	E722-A725 PolarHBondContact O-N 2.98Å; A725-Q727 PolarHBondContact O-N 3.5Å; A725-Q727 VanDerWaalsContact O-N 3.12Å; A725-N728 WeakPolarHBondContact O-CB 3.23Å; A725-N728 PolarHBondContact O-N 3.32Å; A725-A729 PolarHBondContact O-N 3.39Å
726	P	74.1	Confident	70.4	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-26.3	179.2	24	-33.4	0	0	0	112.8	I671 V684 N728 A729 A730	I671-P726 HydrophobicContact CG1-CB 4.17Å; I671-P726 HydrophobicContact CG2-CB 4.02Å; I671-P726 HydrophobicContact CG2-CG 4.43Å; V684-P726 HydrophobicContact CG2-CB 4.09Å; P726-N728 VanDerWaalsContact C-N 3.31Å; P726-N728 PolarHBondContact O-N 3.02Å; P726-A729 PolarHBondContact O-N 3.2Å; P726-A730 PolarHBondContact O-N 3.25Å
727	Q	76.2	Confident	71.1	Confident	21 Å²	21	48 Å²	48	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-34.5	174.8	-58.4	81.9	2.8	0	0	112.5	I671 F672 H718 A725 A730 F731	I671-Q727 HydrophobicContact CG2-CB 4.26Å; I671-Q727 HydrophobicContact CG2-CG 3.82Å; I671-Q727 PolarHBondContact O-NE2 3.33Å; F672-Q727 HydrophobicContact CD1-CG 4.02Å; F672-Q727 HydrophobicContact CE1-CB 4.17Å; F672-Q727 HydrophobicContact CE1-CG 3.93Å; H718-Q727 HydrophobicContact CB-CB 3.77Å; H718-Q727 HydrophobicContact CB-CG 4.25Å; A725-Q727 PolarHBondContact O-N 3.5Å; A725-Q727 VanDerWaalsContact O-N 3.12Å; Q727-A730 WeakPolarHBondContact O-CB 3.42Å; Q727-A730 PolarHBondContact O-N 2.81Å; Q727-F731 PolarHBondContact O-N 3.12Å; Q727-F731 VanDerWaalsContact O-N 3.1Å
728	N	75.1	Confident	71.8	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-39.7	175.4	-177.7	-10.6	0	0	0	110.6	C720 E722 A725 P726 A730 F731 R732	C720-N728 PolarHBondContact O-ND2 2.9Å; E722-N728 PolarHBondContact O-ND2 3.32Å; E722-N728 VanDerWaalsContact O-ND2 3.13Å; A725-N728 WeakPolarHBondContact O-CB 3.23Å; A725-N728 PolarHBondContact O-N 3.32Å; P726-N728 VanDerWaalsContact C-N 3.31Å; P726-N728 PolarHBondContact O-N 3.02Å; N728-A730 VanDerWaalsContact C-N 3.3Å; N728-A730 PolarHBondContact O-N 3.44Å; N728-F731 PolarHBondContact O-N 3.3Å; N728-R732 WeakPolarHBondContact O-CG 3.49Å; N728-R732 PolarHBondContact O-N 3.33Å; N728-R732 PolarHBondContact OD1-NE 3.44Å
729	A	79.2	Confident	72.1	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-41.3	172.2	0	0	0	0	0	111.9	V684 L687 A725 P726 F731 R732 A733	V684-A729 HydrophobicContact CB-CB 4.32Å; V684-A729 HydrophobicContact CG1-CB 4.03Å; V684-A729 HydrophobicContact CG2-CB 3.86Å; L687-A729 HydrophobicContact CD1-CB 3.71Å; A725-A729 PolarHBondContact O-N 3.39Å; P726-A729 PolarHBondContact O-N 3.2Å; A729-F731 VanDerWaalsContact C-N 3.32Å; A729-F731 PolarHBondContact O-N 3.41Å; A729-R732 PolarHBondContact O-N 3.25Å; A729-A733 WeakPolarHBondContact O-CB 3.49Å; A729-A733 PolarHBondContact O-N 2.59Å
730	A	83.6	Confident	72.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-42.9	176.2	0	0	0	0	0	111.7	F668 I671 L687 P726 Q727 N728 A733 L734	F668-A730 HydrophobicContact CD1-CB 3.82Å; F668-A730 HydrophobicContact CE1-CB 3.61Å; I671-A730 HydrophobicContact CD1-CB 4.14Å; I671-A730 HydrophobicContact CG2-CB 4.39Å; L687-A730 HydrophobicContact CD1-CB 3.95Å; L687-A730 VanDerWaalsContact CD1-N 3.26Å; P726-A730 PolarHBondContact O-N 3.25Å; Q727-A730 WeakPolarHBondContact O-CB 3.42Å; Q727-A730 PolarHBondContact O-N 2.81Å; N728-A730 VanDerWaalsContact C-N 3.3Å; N728-A730 PolarHBondContact O-N 3.44Å; A730-A733 PolarHBondContact O-N 3.42Å; A730-L734 PolarHBondContact O-N 3.47Å
731	F	80.8	Confident	72.3	Confident	20 Å²	20	43.9 Å²	43.9	9%	0.088	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-40.6	176.4	-173.4	-121.7	0	0	0	112.6	F710 L719 Q727 N728 A729 A733 L734 K735 I764	F710-F731 HydrophobicContact CE1-CD2 4.4Å; F710-F731 HydrophobicContact CZ-CB 4.43Å; F710-F731 AromaticContact CZ-CD2 3.88Å; F710-F731 HydrophobicContact CZ-CD2 3.88Å; L719-F731 HydrophobicContact CD2-CD1 4.35Å; L719-F731 HydrophobicContact CD2-CD2 3.83Å; L719-F731 HydrophobicContact CD2-CE1 4.22Å; L719-F731 HydrophobicContact CD2-CE2 3.72Å; L719-F731 HydrophobicContact CD2-CG 4.15Å; L719-F731 HydrophobicContact CD2-CZ 3.92Å; Q727-F731 PolarHBondContact O-N 3.12Å; Q727-F731 VanDerWaalsContact O-N 3.1Å; N728-F731 PolarHBondContact O-N 3.3Å; A729-F731 VanDerWaalsContact C-N 3.32Å; A729-F731 PolarHBondContact O-N 3.41Å; F731-A733 VanDerWaalsContact C-N 3.35Å; F731-A733 PolarHBondContact O-N 3.04Å; F731-L734 PolarHBondContact O-N 3.16Å; F731-K735 HydrophobicContact CD1-CD 4.35Å; F731-K735 HydrophobicContact CE1-CD 4Å; F731-K735 HydrophobicContact CE1-CG 4.38Å; F731-K735 HydrophobicContact CZ-CD 4.37Å; F731-K735 HydrophobicContact CZ-CG 4.36Å; F731-K735 PolarHBondContact O-N 3.36Å; F731-I764 HydrophobicContact CE2-CD1 3.7Å; F731-I764 HydrophobicContact CE2-CG1 3.82Å; F731-I764 HydrophobicContact CZ-CD1 3.64Å; F731-I764 HydrophobicContact CZ-CG1 4.1Å
732	R	79.1	Confident	72.3	Confident	87 Å²	87	35.9 Å²	35.9	33%	0.328	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-40.7	173.7	-76.8	-175.6	-82.5	152.2	-3.8	112.1	E723 N728 A729 K735 H736	E723-R732 PolarHBondContact O-NH2 3.15Å; N728-R732 WeakPolarHBondContact O-CG 3.49Å; N728-R732 PolarHBondContact O-N 3.33Å; N728-R732 PolarHBondContact OD1-NE 3.44Å; A729-R732 PolarHBondContact O-N 3.25Å; R732-K735 PolarHBondContact O-N 3.42Å; R732-H736 PolarHBondContact O-N 2.95Å
733	A	84	Confident	72.2	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-43.4	174.3	0	0	0	0	0	111.4	L687 A729 A730 F731 H736 L737	L687-A733 HydrophobicContact CD2-CB 4.38Å; A729-A733 WeakPolarHBondContact O-CB 3.49Å; A729-A733 PolarHBondContact O-N 2.59Å; A730-A733 PolarHBondContact O-N 3.42Å; F731-A733 VanDerWaalsContact C-N 3.35Å; F731-A733 PolarHBondContact O-N 3.04Å; A733-H736 PolarHBondContact O-N 3.21Å; A733-L737 WeakPolarHBondContact O-CB 3.41Å; A733-L737 VanDerWaalsContact O-CG 3.23Å; A733-L737 WeakPolarHBondContact O-CG 3.35Å; A733-L737 PolarHBondContact O-N 3.35Å
734	L	85.1	Confident	72.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-43.6	173.7	-74.9	177.8	0	0	0	112.6	F668 L706 F710 A730 F731 H736 L737 M738 L760	F668-L734 HydrophobicContact CE2-CD1 4.1Å; F668-L734 HydrophobicContact CE2-CD2 3.9Å; F668-L734 HydrophobicContact CE2-CG 4.08Å; F668-L734 HydrophobicContact CZ-CD1 4.12Å; F668-L734 HydrophobicContact CZ-CD2 3.84Å; F668-L734 HydrophobicContact CZ-CG 3.74Å; L706-L734 HydrophobicContact CD2-CD2 3.79Å; L706-L734 HydrophobicContact CG-CD2 4.18Å; F710-L734 HydrophobicContact CB-CD1 4.05Å; F710-L734 HydrophobicContact CD1-CD1 3.89Å; F710-L734 HydrophobicContact CD2-CD1 3.28Å; F710-L734 HydrophobicContact CE1-CD1 4.12Å; F710-L734 HydrophobicContact CE2-CD1 3.52Å; F710-L734 HydrophobicContact CG-CD1 3.47Å; F710-L734 VanDerWaalsContact CG-CD1 3.47Å; F710-L734 HydrophobicContact CZ-CD1 3.96Å; A730-L734 PolarHBondContact O-N 3.47Å; F731-L734 PolarHBondContact O-N 3.16Å; L734-H736 VanDerWaalsContact C-N 3.31Å; L734-H736 PolarHBondContact O-N 2.99Å; L734-L737 PolarHBondContact O-N 2.85Å; L734-M738 VanDerWaalsContact O-CB 3.28Å; L734-M738 WeakPolarHBondContact O-CB 3.31Å; L734-M738 WeakPolarHBondContact O-CG 3.2Å; L734-M738 PolarHBondContact O-N 3.46Å; L734-L760 HydrophobicContact CB-CD1 4.15Å; L734-L760 HydrophobicContact CB-CD2 4.48Å; L734-L760 HydrophobicContact CD1-CD1 4.29Å
735	K	79.7	Confident	71.8	Confident	34 Å²	34	23.9 Å²	23.9	15%	0.148	15%	0.148	C	C	.	.	H	α-helix	trans	-57.7	-44.6	175.2	-75.9	-174.3	158.8	-176.4	0	111.5	F731 R732 C739 F740 D741 L760 D791	F731-K735 HydrophobicContact CD1-CD 4.35Å; F731-K735 HydrophobicContact CE1-CD 4Å; F731-K735 HydrophobicContact CE1-CG 4.38Å; F731-K735 HydrophobicContact CZ-CD 4.37Å; F731-K735 HydrophobicContact CZ-CG 4.36Å; F731-K735 PolarHBondContact O-N 3.36Å; R732-K735 PolarHBondContact O-N 3.42Å; K735-C739 CarbonylContact O-C 3.52Å; K735-C739 PolarHBondContact O-N 3.26Å; K735-F740 HydrophobicContact CB-CB 4.05Å; K735-F740 HydrophobicContact CG-CB 4.05Å; K735-F740 HydrophobicContact CG-CD1 4.41Å; K735-F740 PolarHBondContact O-N 2.84Å; K735-D741 HydrophobicContact CB-CB 4.27Å; K735-L760 HydrophobicContact CG-CD2 4.24Å; K735-D791 IonicContact NZ-OD1 3.31Å; K735-D791 IonicContact NZ-OD2 3.83Å; K735-D791 PolarHBondContact NZ-OD2 3.33Å
736	H	79.7	Confident	70.9	Confident	29 Å²	29	30.7 Å²	30.7	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-51.6	176.2	174.4	86.8	0	0	0	112	K691 V693 K695 R732 A733 L734 M738 C739 D741	K691-H736 PolarHBondContact O-CE1 2.75Å; K691-H736 VanDerWaalsContact O-CE1 3.25Å; K691-H736 PolarHBondContact O-NE2 2.95Å; V693-H736 PolarHBondContact O-NE2 3.4Å; K695-H736 WeakPolarHBondContact CB-O 3.37Å; K695-H736 WeakPolarHBondContact CE-ND1 3.34Å; K695-H736 WeakPolarHBondContact CG-O 3.26Å; R732-H736 PolarHBondContact O-N 2.95Å; A733-H736 PolarHBondContact O-N 3.21Å; L734-H736 VanDerWaalsContact C-N 3.31Å; L734-H736 PolarHBondContact O-N 2.99Å; H736-M738 VanDerWaalsContact C-N 3.26Å; H736-M738 PolarHBondContact O-N 3.05Å; H736-C739 PolarHBondContact O-N 3.4Å; H736-D741 IonicContact ND1-OD2 3.57Å
737	L	79.3	Confident	69.9	Low	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-28.5	-177.6	-67.9	167.3	0	0	0	112.9	L664 V693 A696 I698 A733 L734	L664-L737 HydrophobicContact CD1-CD1 3.42Å; L664-L737 VanDerWaalsContact CD1-CD1 3.42Å; L664-L737 HydrophobicContact CD2-CD1 4.45Å; V693-L737 HydrophobicContact CB-CD2 3.87Å; V693-L737 HydrophobicContact CG1-CD2 3.83Å; A696-L737 VanDerWaalsContact CA-O 3.31Å; A696-L737 WeakPolarHBondContact CA-O 3.43Å; A696-L737 PolarHBondContact N-O 3.48Å; I698-L737 HydrophobicContact CD1-CD1 3.93Å; I698-L737 HydrophobicContact CD1-CD2 4.27Å; A733-L737 WeakPolarHBondContact O-CB 3.41Å; A733-L737 VanDerWaalsContact O-CG 3.23Å; A733-L737 WeakPolarHBondContact O-CG 3.35Å; A733-L737 PolarHBondContact O-N 3.35Å; L734-L737 PolarHBondContact O-N 2.85Å
738	M	77.6	Confident	68.3	Low	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.5	-179.7	-57	-63	149	0	0	113.4	I698 R703 L734 H736 F740 Q757 L760	I698-M738 HydrophobicContact CB-CE 4.21Å; I698-M738 HydrophobicContact CG2-CE 4.45Å; R703-M738 HydrophobicContact CG-CE 3.85Å; R703-M738 HydrophobicContact CG-SD 3.77Å; L734-M738 VanDerWaalsContact O-CB 3.28Å; L734-M738 WeakPolarHBondContact O-CB 3.31Å; L734-M738 WeakPolarHBondContact O-CG 3.2Å; L734-M738 PolarHBondContact O-N 3.46Å; H736-M738 VanDerWaalsContact C-N 3.26Å; H736-M738 PolarHBondContact O-N 3.05Å; M738-F740 PolarHBondContact O-N 2.91Å; M738-Q757 WeakPolarHBondContact O-CG 3.42Å; M738-L760 HydrophobicContact CB-CB 4.29Å; M738-L760 HydrophobicContact CB-CD2 4.04Å; M738-L760 HydrophobicContact CG-CB 4.25Å; M738-L760 HydrophobicContact CG-CD2 4.27Å
739	C	71.1	Confident	67.3	Low	1 Å²	1	42.1 Å²	42.1	1%	0.007	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	24.6	-177.2	-65.3	0	0	0	0	114.9	K695 A696 K735 H736 D741 C753 Q757	K695-C739 WeakPolarHBondContact CB-SG 3.41Å; A696-C739 WeakPolarHBondContact CB-SG 3.48Å; A696-C739 PolarHBondContact N-SG 3.4Å; K735-C739 CarbonylContact O-C 3.52Å; K735-C739 PolarHBondContact O-N 3.26Å; H736-C739 PolarHBondContact O-N 3.4Å; C739-D741 VanDerWaalsContact C-N 3.29Å; C739-C753 HydrophobicContact CB-CB 4.34Å; C739-Q757 PolarHBondContact O-NE2 3.45Å
740	F	70.5	Confident	66.4	Low	3 Å²	3	43.1 Å²	43.1	1%	0.013	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.8	-179.9	-147.1	-87.6	0	0	0	113	K735 M738 Q757 L760 L761 L788 D791 I792 C795	K735-F740 HydrophobicContact CB-CB 4.05Å; K735-F740 HydrophobicContact CG-CB 4.05Å; K735-F740 HydrophobicContact CG-CD1 4.41Å; K735-F740 PolarHBondContact O-N 2.84Å; M738-F740 PolarHBondContact O-N 2.91Å; F740-Q757 HydrophobicContact CD2-CB 3.98Å; F740-Q757 HydrophobicContact CD2-CG 4.09Å; F740-Q757 HydrophobicContact CE2-CB 4.3Å; F740-L760 HydrophobicContact CB-CD2 3.91Å; F740-L760 HydrophobicContact CD2-CD2 4.12Å; F740-L760 HydrophobicContact CG-CD2 4.07Å; F740-L761 HydrophobicContact CE2-CB 4.15Å; F740-L788 HydrophobicContact CE1-CD1 4.25Å; F740-L788 HydrophobicContact CZ-CD1 4.32Å; F740-D791 HydrophobicContact CD1-CB 4.23Å; F740-D791 HydrophobicContact CE1-CB 3.76Å; F740-I792 HydrophobicContact CE1-CG1 4.49Å; F740-I792 HydrophobicContact CZ-CG1 3.87Å; F740-C795 PolarHBondContact O-SG 3.29Å
741	D	61.9	Low	65.4	Low	67 Å²	67	48.2 Å²	48.2	36%	0.358	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	15	-175.3	69	-25.3	0	0	0	114.1	K695 K735 H736 C739	K695-D741 IonicContact NZ-OD1 3.93Å; K695-D741 PolarHBondContact NZ-OD1 2.91Å; K695-D741 IonicContact NZ-OD2 3.31Å; K695-D741 PolarHBondContact NZ-OD2 2.75Å; K735-D741 HydrophobicContact CB-CB 4.27Å; H736-D741 IonicContact ND1-OD2 3.57Å; C739-D741 VanDerWaalsContact C-N 3.29Å
742	G	53.7	Low	64.5	Low	23 Å²	23	49.4 Å²	49.4	24%	0.237	28%	0.284	C	S	.	.	S	Bend	trans	89.8	20.5	161.2	0	0	0	0	0	117.7	L798	G742-L798 WeakPolarHBondContact O-CD2 3.4Å
743	V	54.1	Low	63.9	Low	84 Å²	84	45.3 Å²	45.3	51%	0.509	27%	0.269	S	S	.	.			trans	-126.3	37.1	-176.9	-154	0	0	0	0	113.5	K695 G745	K695-V743 VanDerWaalsContact NZ-CB 3.32Å; V743-G745 PolarHBondContact O-N 3.49Å; V743-G745 VanDerWaalsContact O-N 3.09Å
744	G	46.4	Very low	63.3	Low	9 Å²	9	45.6 Å²	45.6	9%	0.093	27%	0.271	C	S	.	.			trans	-70.6	2.3	-173.5	0	0	0	0	0	116.6	Q746 H747	G744-Q746 PolarHBondContact O-N 3.36Å; G744-H747 PolarHBondContact O-N 3.11Å
745	G	47.5	Very low	62.8	Low	66 Å²	66	49.1 Å²	49.1	68%	0.68	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	7	-176.8	0	0	0	0	0	115.8	V743	V743-G745 PolarHBondContact O-N 3.49Å; V743-G745 VanDerWaalsContact O-N 3.09Å
746	Q	50.7	Low	62.6	Low	174 Å²	174	47.5 Å²	47.5	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-0.2	-177.6	-66.8	-174	-16.2	0	0	114.3	G744	G744-Q746 PolarHBondContact O-N 3.36Å
747	H	51.7	Low	62.4	Low	67 Å²	67	46.2 Å²	46.2	31%	0.31	28%	0.277	S	S	.	.			trans	-109.7	120.2	-178.8	-69	-73.2	0	0	0	112.3	K695 G744 C749	K695-H747 PolarHBondContact O-CE1 2.91Å; K695-H747 PolarHBondContact O-NE2 3.49Å; K695-H747 VanDerWaalsContact O-NE2 3.14Å; G744-H747 PolarHBondContact O-N 3.11Å; H747-C749 PolarHBondContact O-N 3.42Å
748	T	44.3	Very low	62.4	Low	156 Å²	156	51 Å²	51	96%	0.957	30%	0.295	S	S	*	.	S	Bend	trans	-67.1	-16.3	171	48.5	0	0	0	0	112.9	A750	T748-A750 PolarHBondContact O-N 2.9Å
749	C	53.7	Low	62.7	Low	59 Å²	59	52 Å²	52	40%	0.399	30%	0.303	S	S	.	.			trans	-102.4	76	-176.5	-162.5	0	0	0	0	112.8	H747 E751 V752 C753	H747-C749 PolarHBondContact O-N 3.42Å; C749-E751 VanDerWaalsContact C-N 3.27Å; C749-E751 PolarHBondContact O-N 3.48Å; C749-V752 HydrophobicContact CB-CB 4.32Å; C749-V752 HydrophobicContact CB-CG2 4.42Å; C749-V752 PolarHBondContact O-N 3.36Å; C749-V752 WeakPolarHBondContact SG-CG2 3.29Å; C749-C753 PolarHBondContact O-N 3.49Å
750	A	59.2	Low	63.2	Low	24 Å²	24	52 Å²	52	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-55	-36.8	180	0	0	0	0	0	114.8	T748 T754 V804 R808	T748-A750 PolarHBondContact O-N 2.9Å; A750-T754 PolarHBondContact O-N 3.29Å; A750-T754 PolarHBondContact O-OG1 3.34Å; A750-V804 HydrophobicContact CB-CB 4.01Å; A750-V804 HydrophobicContact CB-CG1 3.46Å; A750-V804 VanDerWaalsContact CB-CG1 3.46Å; A750-V804 HydrophobicContact CB-CG2 3.3Å; A750-R808 PolarHBondContact O-NH2 3.4Å
751	E	62.6	Low	63.9	Low	107 Å²	107	51.9 Å²	51.9	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-49.5	-179.6	-68	-170.2	156.1	0	0	111.4	C749 C753 T754 D755 R1075	C749-E751 VanDerWaalsContact C-N 3.27Å; C749-E751 PolarHBondContact O-N 3.48Å; E751-C753 VanDerWaalsContact C-N 3.3Å; E751-C753 PolarHBondContact O-N 3.27Å; E751-T754 WeakPolarHBondContact O-CB 3.26Å; E751-T754 PolarHBondContact O-N 3.49Å; E751-D755 PolarHBondContact O-N 3.14Å; E751-R1075 IonicContact OE1-CZ 2.66Å; E751-R1075 IonicContact OE1-NE 3.51Å; E751-R1075 PolarHBondContact OE1-NE 3.44Å; E751-R1075 IonicContact OE1-NH2 3.94Å; E751-R1075 PolarHBondContact OE1-NH2 3.42Å; E751-R1075 IonicContact OE2-NH2 3.92Å; E751-R1075 PolarHBondContact OE2-NH2 3.47Å
752	V	61.8	Low	64.9	Low	44 Å²	44	51.7 Å²	51.7	27%	0.267	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-39.1	-178.8	168.6	0	0	0	0	112.4	A696 V699 C749 T754 S756	A696-V752 HydrophobicContact CB-CG1 4.28Å; V699-V752 HydrophobicContact CG1-CG1 3.34Å; C749-V752 HydrophobicContact CB-CB 4.32Å; C749-V752 HydrophobicContact CB-CG2 4.42Å; C749-V752 PolarHBondContact O-N 3.36Å; C749-V752 WeakPolarHBondContact SG-CG2 3.29Å; V752-T754 VanDerWaalsContact C-N 3.35Å; V752-S756 WeakPolarHBondContact O-CB 3.49Å; V752-S756 PolarHBondContact O-N 3.13Å; V752-S756 VanDerWaalsContact O-N 3.08Å; V752-S756 PolarHBondContact O-OG 3.04Å
753	C	67.4	Low	66.4	Low	2 Å²	2	51.5 Å²	51.5	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-44.1	174.6	-67.5	0	0	0	0	111	C739 C749 E751 S756 Q757	C739-C753 HydrophobicContact CB-CB 4.34Å; C749-C753 PolarHBondContact O-N 3.49Å; E751-C753 VanDerWaalsContact C-N 3.3Å; E751-C753 PolarHBondContact O-N 3.27Å; C753-S756 PolarHBondContact O-N 3.46Å; C753-Q757 WeakPolarHBondContact O-CB 3.49Å; C753-Q757 WeakPolarHBondContact O-CG 3.39Å; C753-Q757 PolarHBondContact O-N 3.37Å
754	T	70.7	Confident	67.7	Low	8 Å²	8	47.6 Å²	47.6	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-43.4	-177.6	-50.3	0	0	0	0	111.4	A750 E751 V752 S756 Q757 R758 R808 I811	A750-T754 PolarHBondContact O-N 3.29Å; A750-T754 PolarHBondContact O-OG1 3.34Å; E751-T754 WeakPolarHBondContact O-CB 3.26Å; E751-T754 PolarHBondContact O-N 3.49Å; V752-T754 VanDerWaalsContact C-N 3.35Å; T754-S756 VanDerWaalsContact C-N 3.31Å; T754-S756 PolarHBondContact O-N 3.03Å; T754-Q757 PolarHBondContact O-N 3.18Å; T754-R758 WeakPolarHBondContact O-CB 3.35Å; T754-R758 PolarHBondContact O-N 3.05Å; T754-R808 HydrophobicContact CG2-CB 4.36Å; T754-R808 HydrophobicContact CG2-CG 3.69Å; T754-R808 WeakPolarHBondContact OG1-CG 3.49Å; T754-R808 PolarHBondContact OG1-NE 3.1Å; T754-I811 HydrophobicContact CG2-CB 4.15Å; T754-I811 HydrophobicContact CG2-CD1 3.67Å; T754-I811 HydrophobicContact CG2-CG2 4.19Å
755	D	75	Confident	69.4	Low	74 Å²	74	47.5 Å²	47.5	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.9	-74.4	-13.6	0	0	0	112.4	E751 A759	E751-D755 PolarHBondContact O-N 3.14Å; D755-A759 VanDerWaalsContact O-CB 3.3Å; D755-A759 WeakPolarHBondContact O-CB 3.49Å; D755-A759 PolarHBondContact O-N 3.13Å
756	S	74.9	Confident	70.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-41.2	179.6	-58.2	0	0	0	0	111.5	R703 V752 C753 T754 A759 L760	R703-S756 PolarHBondContact NH1-OG 3.38Å; V752-S756 WeakPolarHBondContact O-CB 3.49Å; V752-S756 PolarHBondContact O-N 3.13Å; V752-S756 VanDerWaalsContact O-N 3.08Å; V752-S756 PolarHBondContact O-OG 3.04Å; C753-S756 PolarHBondContact O-N 3.46Å; T754-S756 VanDerWaalsContact C-N 3.31Å; T754-S756 PolarHBondContact O-N 3.03Å; S756-A759 PolarHBondContact O-N 3.29Å; S756-L760 PolarHBondContact O-N 3.14Å
757	Q	77.1	Confident	72.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-46.6	172.8	-71.3	168.2	-20.6	0	0	111.2	M738 C739 F740 C753 T754 L760 L761 L812	M738-Q757 WeakPolarHBondContact O-CG 3.42Å; C739-Q757 PolarHBondContact O-NE2 3.45Å; F740-Q757 HydrophobicContact CD2-CB 3.98Å; F740-Q757 HydrophobicContact CD2-CG 4.09Å; F740-Q757 HydrophobicContact CE2-CB 4.3Å; C753-Q757 WeakPolarHBondContact O-CB 3.49Å; C753-Q757 WeakPolarHBondContact O-CG 3.39Å; C753-Q757 PolarHBondContact O-N 3.37Å; T754-Q757 PolarHBondContact O-N 3.18Å; Q757-L760 PolarHBondContact O-N 3.5Å; Q757-L761 WeakPolarHBondContact O-CB 3.46Å; Q757-L761 PolarHBondContact O-N 3.34Å; Q757-L812 HydrophobicContact CB-CD2 3.82Å
758	R	79.2	Confident	73.3	Confident	102 Å²	102	36.6 Å²	36.6	39%	0.385	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-48.8	176.3	-173.4	-162.7	-179.3	156.1	-0.3	111.3	T754 L760 L761 D762 I811 L812	T754-R758 WeakPolarHBondContact O-CB 3.35Å; T754-R758 PolarHBondContact O-N 3.05Å; R758-L760 VanDerWaalsContact C-N 3.35Å; R758-L760 PolarHBondContact O-N 3.29Å; R758-L761 WeakPolarHBondContact O-CB 3.3Å; R758-L761 PolarHBondContact O-N 2.95Å; R758-L761 VanDerWaalsContact O-N 3.15Å; R758-D762 IonicContact NE-OD2 3.57Å; R758-D762 VanDerWaalsContact O-CG 3.24Å; R758-D762 PolarHBondContact O-N 3.45Å; R758-I811 HydrophobicContact CB-CG2 3.85Å; R758-I811 HydrophobicContact CG-CG2 3.72Å; R758-L812 HydrophobicContact CB-CD2 4.31Å
759	A	82.7	Confident	74.7	Confident	22 Å²	22	32.4 Å²	32.4	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-40.4	-178.4	0	0	0	0	0	112.4	L707 D755 S756 V763	L707-A759 HydrophobicContact CD1-CB 3.45Å; L707-A759 VanDerWaalsContact CD1-CB 3.45Å; D755-A759 VanDerWaalsContact O-CB 3.3Å; D755-A759 WeakPolarHBondContact O-CB 3.49Å; D755-A759 PolarHBondContact O-N 3.13Å; S756-A759 PolarHBondContact O-N 3.29Å; A759-V763 PolarHBondContact O-N 3.11Å
760	L	82.3	Confident	75.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-41.7	174	-179.8	60.9	0	0	0	111.5	L707 L734 K735 M738 F740 S756 Q757 R758 V763 I764	L707-L760 HydrophobicContact CD2-CB 4.38Å; L707-L760 HydrophobicContact CD2-CD1 3.79Å; L734-L760 HydrophobicContact CB-CD1 4.15Å; L734-L760 HydrophobicContact CB-CD2 4.48Å; L734-L760 HydrophobicContact CD1-CD1 4.29Å; K735-L760 HydrophobicContact CG-CD2 4.24Å; M738-L760 HydrophobicContact CB-CB 4.29Å; M738-L760 HydrophobicContact CB-CD2 4.04Å; M738-L760 HydrophobicContact CG-CB 4.25Å; M738-L760 HydrophobicContact CG-CD2 4.27Å; F740-L760 HydrophobicContact CB-CD2 3.91Å; F740-L760 HydrophobicContact CD2-CD2 4.12Å; F740-L760 HydrophobicContact CG-CD2 4.07Å; S756-L760 PolarHBondContact O-N 3.14Å; Q757-L760 PolarHBondContact O-N 3.5Å; R758-L760 VanDerWaalsContact C-N 3.35Å; R758-L760 PolarHBondContact O-N 3.29Å; L760-V763 PolarHBondContact O-N 3.2Å; L760-I764 HydrophobicContact CG-CD1 4.09Å; L760-I764 WeakPolarHBondContact O-CG1 3.42Å; L760-I764 PolarHBondContact O-N 3.13Å
761	L	84.1	Confident	75.7	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-47.2	176.6	178	58.7	0	0	0	111.5	F740 Q757 R758 V763 I764 L765 L788 I792 L812 V816	F740-L761 HydrophobicContact CE2-CB 4.15Å; Q757-L761 WeakPolarHBondContact O-CB 3.46Å; Q757-L761 PolarHBondContact O-N 3.34Å; R758-L761 WeakPolarHBondContact O-CB 3.3Å; R758-L761 PolarHBondContact O-N 2.95Å; R758-L761 VanDerWaalsContact O-N 3.15Å; L761-V763 PolarHBondContact O-N 3.45Å; L761-I764 WeakPolarHBondContact O-CB 3.42Å; L761-I764 PolarHBondContact O-N 2.92Å; L761-I764 VanDerWaalsContact O-N 3.07Å; L761-L765 HydrophobicContact CD1-CD1 4.04Å; L761-L765 HydrophobicContact CD1-CD2 4.44Å; L761-L765 HydrophobicContact CD1-CG 4.02Å; L761-L765 HydrophobicContact CG-CD1 3.89Å; L761-L765 HydrophobicContact CG-CG 4.32Å; L761-L765 VanDerWaalsContact O-CG 3.27Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.32Å; L761-L788 HydrophobicContact CD1-CD1 4.26Å; L761-L788 HydrophobicContact CD1-CD2 4.21Å; L761-L788 HydrophobicContact CD1-CG 4.47Å; L761-I792 HydrophobicContact CD1-CD1 3.75Å; L761-I792 HydrophobicContact CD1-CG1 4.36Å; L761-I792 HydrophobicContact CD2-CD1 3.94Å; L761-I792 HydrophobicContact CD2-CG1 4.39Å; L761-L812 HydrophobicContact CD2-CB 4.18Å; L761-L812 HydrophobicContact CD2-CD2 4.09Å; L761-L812 VanDerWaalsContact CD2-O 3.3Å; L761-L812 WeakPolarHBondContact CD2-O 3.35Å; L761-V816 HydrophobicContact CD1-CG2 4.45Å; L761-V816 HydrophobicContact CD2-CG2 4.12Å
762	D	84.4	Confident	75.6	Confident	64 Å²	64	35.4 Å²	35.4	34%	0.342	17%	0.169	S	C	.	.	H	α-helix	trans	-57.7	-38.9	177.9	-67.9	-19.2	0	0	0	111.2	R758 L765 E766 S815	R758-D762 IonicContact NE-OD2 3.57Å; R758-D762 VanDerWaalsContact O-CG 3.24Å; R758-D762 PolarHBondContact O-N 3.45Å; D762-L765 PolarHBondContact O-N 2.99Å; D762-E766 WeakPolarHBondContact O-CB 3.33Å; D762-E766 PolarHBondContact O-N 3.32Å; D762-S815 WeakPolarHBondContact OD1-CB 3.43Å; D762-S815 PolarHBondContact OD1-OG 2.99Å
763	V	83.7	Confident	75.5	Confident	18 Å²	18	41.4 Å²	41.4	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-44.1	173.8	166.3	0	0	0	0	112.7	L707 F710 A759 L760 L761 L765 E766 I767	L707-V763 HydrophobicContact CB-CG2 3.95Å; L707-V763 HydrophobicContact CD2-CG2 4.38Å; F710-V763 HydrophobicContact CD1-CG1 3.89Å; F710-V763 HydrophobicContact CE1-CG1 4.44Å; A759-V763 PolarHBondContact O-N 3.11Å; L760-V763 PolarHBondContact O-N 3.2Å; L761-V763 PolarHBondContact O-N 3.45Å; V763-L765 VanDerWaalsContact C-N 3.3Å; V763-L765 PolarHBondContact O-N 2.66Å; V763-E766 PolarHBondContact O-N 2.79Å; V763-I767 HydrophobicContact CG1-CD1 3.91Å; V763-I767 VanDerWaalsContact O-CG1 3.3Å; V763-I767 WeakPolarHBondContact O-CG1 3.32Å; V763-I767 PolarHBondContact O-N 3.18Å
764	I	81.5	Confident	75.2	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-45.1	177	-66.6	162.3	0	0	0	110	L719 F731 L760 L761 E766 I767 F768 L788	L719-I764 HydrophobicContact CD1-CG2 4.33Å; F731-I764 HydrophobicContact CE2-CD1 3.7Å; F731-I764 HydrophobicContact CE2-CG1 3.82Å; F731-I764 HydrophobicContact CZ-CD1 3.64Å; F731-I764 HydrophobicContact CZ-CG1 4.1Å; L760-I764 HydrophobicContact CG-CD1 4.09Å; L760-I764 WeakPolarHBondContact O-CG1 3.42Å; L760-I764 PolarHBondContact O-N 3.13Å; L761-I764 WeakPolarHBondContact O-CB 3.42Å; L761-I764 PolarHBondContact O-N 2.92Å; L761-I764 VanDerWaalsContact O-N 3.07Å; I764-E766 PolarHBondContact O-N 3.45Å; I764-I767 PolarHBondContact O-N 3.29Å; I764-F768 HydrophobicContact CG2-CD2 4.27Å; I764-F768 HydrophobicContact CG2-CE2 3.79Å; I764-F768 HydrophobicContact CG2-CZ 3.99Å; I764-F768 WeakPolarHBondContact O-CG 3.31Å; I764-F768 PolarHBondContact O-N 2.93Å; I764-L788 HydrophobicContact CD1-CD1 4.1Å; I764-L788 HydrophobicContact CG2-CD1 4.25Å; I764-L788 HydrophobicContact CG2-CD2 3.78Å
765	L	82	Confident	74.4	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-39	178.5	-65.5	174.1	0	0	0	111.6	L761 D762 V763 F768 K769 W785 L788 S815 Y819	L761-L765 HydrophobicContact CD1-CD1 4.04Å; L761-L765 HydrophobicContact CD1-CD2 4.44Å; L761-L765 HydrophobicContact CD1-CG 4.02Å; L761-L765 HydrophobicContact CG-CD1 3.89Å; L761-L765 HydrophobicContact CG-CG 4.32Å; L761-L765 VanDerWaalsContact O-CG 3.27Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.32Å; D762-L765 PolarHBondContact O-N 2.99Å; V763-L765 VanDerWaalsContact C-N 3.3Å; V763-L765 PolarHBondContact O-N 2.66Å; L765-F768 HydrophobicContact CD2-CD2 4.49Å; L765-F768 WeakPolarHBondContact O-CB 3.49Å; L765-F768 PolarHBondContact O-N 3.28Å; L765-K769 PolarHBondContact O-N 3.24Å; L765-W785 HydrophobicContact CD2-CH2 4.02Å; L765-W785 HydrophobicContact CD2-CZ3 3.79Å; L765-L788 HydrophobicContact CD2-CD2 4.45Å; L765-S815 WeakPolarHBondContact CD1-O 3.5Å; L765-Y819 HydrophobicContact CB-CD2 3.84Å; L765-Y819 HydrophobicContact CB-CE2 4.36Å; L765-Y819 HydrophobicContact CB-CG 4.09Å; L765-Y819 HydrophobicContact CD1-CG 4.46Å; L765-Y819 HydrophobicContact CD2-CD1 3.89Å; L765-Y819 HydrophobicContact CD2-CD2 4.4Å; L765-Y819 HydrophobicContact CD2-CE1 4.4Å; L765-Y819 HydrophobicContact CD2-CG 3.88Å; L765-Y819 HydrophobicContact CG-CG 4.35Å; L765-Y819 WeakPolarHBondContact O-CE2 3.32Å
766	E	80	Confident	73.7	Confident	71 Å²	71	50.6 Å²	50.6	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-38.6	175.5	-167.5	60.3	-157.2	0	0	112.3	D762 V763 I764 F768 K769 H770	D762-E766 WeakPolarHBondContact O-CB 3.33Å; D762-E766 PolarHBondContact O-N 3.32Å; V763-E766 PolarHBondContact O-N 2.79Å; I764-E766 PolarHBondContact O-N 3.45Å; E766-F768 VanDerWaalsContact C-N 3.28Å; E766-F768 PolarHBondContact O-N 3.01Å; E766-K769 WeakPolarHBondContact O-CB 3.37Å; E766-K769 PolarHBondContact O-N 3.46Å; E766-K769 VanDerWaalsContact O-N 3.1Å; E766-K769 WeakPolarHBondContact OE2-CD 3.34Å; E766-H770 PolarHBondContact O-N 3Å; E766-H770 IonicContact OE1-CD2 3.72Å; E766-H770 IonicContact OE1-CE1 2.76Å; E766-H770 PolarHBondContact OE1-CE1 3.23Å; E766-H770 VanDerWaalsContact OE1-CE1 3.31Å; E766-H770 IonicContact OE1-ND1 3.01Å; E766-H770 IonicContact OE1-NE2 3.82Å; E766-H770 PolarHBondContact OE1-NE2 3Å
767	I	76	Confident	73	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-41.7	172.9	-68.9	164.1	0	0	0	110.4	F710 A714 L719 V763 I764	F710-I767 HydrophobicContact CD1-CD1 4.12Å; F710-I767 HydrophobicContact CE1-CD1 3.75Å; A714-I767 HydrophobicContact CB-CD1 3.8Å; L719-I767 HydrophobicContact CD1-CG2 4.07Å; V763-I767 HydrophobicContact CG1-CD1 3.91Å; V763-I767 VanDerWaalsContact O-CG1 3.3Å; V763-I767 WeakPolarHBondContact O-CG1 3.32Å; V763-I767 PolarHBondContact O-N 3.18Å; I764-I767 PolarHBondContact O-N 3.29Å
768	F	76.6	Confident	72.4	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-44.6	172.4	-65.6	-26.8	0	0	0	111.7	L719 I764 L765 E766 H770 R771 C772 I781 Q784 W785 L788 Y819	L719-F768 HydrophobicContact CD1-CD1 4.18Å; L719-F768 HydrophobicContact CD1-CE1 3.49Å; L719-F768 VanDerWaalsContact CD1-CE1 3.49Å; L719-F768 HydrophobicContact CD1-CZ 4.02Å; I764-F768 HydrophobicContact CG2-CD2 4.27Å; I764-F768 HydrophobicContact CG2-CE2 3.79Å; I764-F768 HydrophobicContact CG2-CZ 3.99Å; I764-F768 WeakPolarHBondContact O-CG 3.31Å; I764-F768 PolarHBondContact O-N 2.93Å; L765-F768 HydrophobicContact CD2-CD2 4.49Å; L765-F768 WeakPolarHBondContact O-CB 3.49Å; L765-F768 PolarHBondContact O-N 3.28Å; E766-F768 VanDerWaalsContact C-N 3.28Å; E766-F768 PolarHBondContact O-N 3.01Å; F768-H770 PolarHBondContact O-N 3.07Å; F768-R771 PolarHBondContact O-N 3.48Å; F768-C772 PolarHBondContact O-N 3.28Å; F768-C772 PolarHBondContact O-SG 3.29Å; F768-I781 HydrophobicContact CB-CG2 4.47Å; F768-I781 HydrophobicContact CD1-CG1 4.05Å; F768-I781 HydrophobicContact CD1-CG2 4.05Å; F768-I781 HydrophobicContact CD2-CG2 4.43Å; F768-I781 HydrophobicContact CE1-CG1 4.46Å; F768-I781 HydrophobicContact CE1-CG2 4.34Å; F768-I781 HydrophobicContact CG-CG2 4.1Å; F768-Q784 VanDerWaalsContact CE1-OE1 3.28Å; F768-Q784 HydrophobicContact CZ-CB 4.16Å; F768-W785 HydrophobicContact CD2-CE3 4.2Å; F768-W785 HydrophobicContact CD2-CZ3 4.11Å; F768-W785 HydrophobicContact CE2-CE3 4.05Å; F768-W785 HydrophobicContact CE2-CZ3 4.28Å; F768-L788 HydrophobicContact CE2-CD2 3.74Å; F768-Y819 HydrophobicContact CB-CE2 4.49Å; F768-Y819 VanDerWaalsContact CB-OH 3.28Å; F768-Y819 WeakPolarHBondContact CB-OH 3.35Å
769	K	74.3	Confident	71.8	Confident	68 Å²	68	59.4 Å²	59.4	30%	0.296	29%	0.293	S	S	.	.	H	α-helix	trans	-53.5	-50.6	179.1	-160.3	172.6	177.9	165.4	0	112.1	L765 E766 R771 Y819 D822	L765-K769 PolarHBondContact O-N 3.24Å; E766-K769 WeakPolarHBondContact O-CB 3.37Å; E766-K769 PolarHBondContact O-N 3.46Å; E766-K769 VanDerWaalsContact O-N 3.1Å; E766-K769 WeakPolarHBondContact OE2-CD 3.34Å; K769-R771 PolarHBondContact O-N 3.15Å; K769-Y819 HydrophobicContact CB-CE2 3.87Å; K769-Y819 HydrophobicContact CG-CE2 4.35Å; K769-Y819 PolarHBondContact N-OH 2.86Å; K769-D822 IonicContact NZ-OD2 2.63Å; K769-D822 PolarHBondContact NZ-OD2 3.27Å
770	H	69.8	Low	71	Confident	124 Å²	124	61.5 Å²	61.5	57%	0.574	30%	0.301	S	S	*	.	H	α-helix	trans	-64.1	-24.8	-175.6	-77.7	-43.6	0	0	0	114.1	E766 F768	E766-H770 PolarHBondContact O-N 3Å; E766-H770 IonicContact OE1-CD2 3.72Å; E766-H770 IonicContact OE1-CE1 2.76Å; E766-H770 PolarHBondContact OE1-CE1 3.23Å; E766-H770 VanDerWaalsContact OE1-CE1 3.31Å; E766-H770 IonicContact OE1-ND1 3.01Å; E766-H770 IonicContact OE1-NE2 3.82Å; E766-H770 PolarHBondContact OE1-NE2 3Å; F768-H770 PolarHBondContact O-N 3.07Å
771	R	63.8	Low	70.4	Confident	119 Å²	119	61.5 Å²	61.5	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-120.6	-3.9	-169.4	-64.8	-64	-173.9	171.3	-2.5	115.3	F768 K769 R773 D774 A777	F768-R771 PolarHBondContact O-N 3.48Å; K769-R771 PolarHBondContact O-N 3.15Å; R771-R773 PolarHBondContact O-N 3.27Å; R771-D774 WeakPolarHBondContact CD-OD2 3.33Å; R771-D774 IonicContact CZ-OD2 3.64Å; R771-D774 IonicContact NH1-OD2 3.26Å; R771-D774 PolarHBondContact NH1-OD2 2.93Å; R771-D774 PolarHBondContact O-N 3.06Å; R771-A777 HydrophobicContact CB-CB 4.45Å; R771-A777 WeakPolarHBondContact O-CB 3.42Å
772	C	60.6	Low	69.7	Low	9 Å²	9	65.1 Å²	65.1	6%	0.061	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-17	167.9	-83.9	0	0	0	0	113.9	F768 I781	F768-C772 PolarHBondContact O-N 3.28Å; F768-C772 PolarHBondContact O-SG 3.29Å; C772-I781 HydrophobicContact CB-CD1 4.4Å; C772-I781 WeakPolarHBondContact SG-CD1 3.18Å
773	R	59.9	Low	69.1	Low	170 Å²	170	65.6 Å²	65.6	64%	0.642	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.9	177.3	-62	-177.2	-179.7	-170.6	-3.2	113.9	R771 D824	R771-R773 PolarHBondContact O-N 3.27Å; R773-D824 IonicContact CZ-OD2 3.4Å; R773-D824 IonicContact NE-OD2 2.67Å; R773-D824 IonicContact NH2-OD1 2.76Å; R773-D824 IonicContact NH2-OD2 2.69Å; R773-D824 PolarHBondContact NH2-OD2 3.41Å
774	D	61.1	Low	68.6	Low	74 Å²	74	65.8 Å²	65.8	40%	0.396	33%	0.332	S	S	.	.	S	Bend	trans	-91.1	115.4	-178.8	-68.8	-30	0	0	0	110.2	R771 A777 K778	R771-D774 WeakPolarHBondContact CD-OD2 3.33Å; R771-D774 IonicContact CZ-OD2 3.64Å; R771-D774 IonicContact NH1-OD2 3.26Å; R771-D774 PolarHBondContact NH1-OD2 2.93Å; R771-D774 PolarHBondContact O-N 3.06Å; D774-A777 HydrophobicContact CB-CB 4.19Å; D774-A777 WeakPolarHBondContact O-CB 3.44Å; D774-A777 PolarHBondContact O-N 3.05Å; D774-K778 PolarHBondContact O-N 3.4Å
775	S	52.9	Low	68.5	Low	104 Å²	104	65.6 Å²	65.6	73%	0.727	33%	0.332	S	S	*	.	H	α-helix	trans	-49.8	-39.5	-176.1	177	0	0	0	0	115.8	A777 K778	S775-A777 VanDerWaalsContact C-N 3.34Å; S775-K778 PolarHBondContact O-N 3.42Å
776	P	61.2	Low	68.3	Low	100 Å²	100	67.4 Å²	67.4	65%	0.649	34%	0.343	S	S	*	.	H	α-helix	trans	-67.7	-33	175.9	-17.6	31	0	0	0	113	K778	P776-K778 VanDerWaalsContact C-N 3.3Å; P776-K778 PolarHBondContact O-N 3.15Å
777	A	59.3	Low	68.3	Low	15 Å²	15	65 Å²	65	12%	0.124	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-29	-179.1	0	0	0	0	0	111.6	R771 D774 S775 K779 L780 I781	R771-A777 HydrophobicContact CB-CB 4.45Å; R771-A777 WeakPolarHBondContact O-CB 3.42Å; D774-A777 HydrophobicContact CB-CB 4.19Å; D774-A777 WeakPolarHBondContact O-CB 3.44Å; D774-A777 PolarHBondContact O-N 3.05Å; S775-A777 VanDerWaalsContact C-N 3.34Å; A777-K779 VanDerWaalsContact C-N 3.34Å; A777-K779 PolarHBondContact O-N 2.89Å; A777-L780 WeakPolarHBondContact O-CA 3.19Å; A777-L780 WeakPolarHBondContact O-CB 3.46Å; A777-L780 PolarHBondContact O-N 3.41Å; A777-I781 HydrophobicContact CB-CD1 4.42Å; A777-I781 VanDerWaalsContact O-CG1 3.27Å; A777-I781 WeakPolarHBondContact O-CG1 3.27Å; A777-I781 PolarHBondContact O-N 2.89Å
778	K	65.4	Low	68.4	Low	94 Å²	94	65.1 Å²	65.1	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-54.9	-44.4	-180	-165.7	179.5	-175.8	179.9	0	113.3	D774 S775 P776 L780 D782 F829	D774-K778 PolarHBondContact O-N 3.4Å; S775-K778 PolarHBondContact O-N 3.42Å; P776-K778 VanDerWaalsContact C-N 3.3Å; P776-K778 PolarHBondContact O-N 3.15Å; K778-L780 VanDerWaalsContact C-N 3.32Å; K778-L780 PolarHBondContact O-N 3.43Å; K778-D782 WeakPolarHBondContact O-CB 3.19Å; K778-D782 PolarHBondContact O-N 3.41Å; K778-D782 VanDerWaalsContact O-N 3.1Å; K778-F829 HydrophobicContact CD-CD1 4.24Å; K778-F829 HydrophobicContact CD-CE1 4.32Å; K778-F829 VanDerWaalsContact CE-CG 3.41Å; K778-F829 HydrophobicContact CG-CD1 4.13Å; K778-F829 HydrophobicContact CG-CD2 4.18Å; K778-F829 HydrophobicContact CG-CE1 3.87Å; K778-F829 HydrophobicContact CG-CE2 3.92Å; K778-F829 HydrophobicContact CG-CG 4.26Å; K778-F829 HydrophobicContact CG-CZ 3.76Å
779	K	67.4	Low	68.5	Low	179 Å²	179	65 Å²	65	78%	0.778	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-34.8	177.3	-70.5	-171.8	177.9	-176.4	0	112.7	A777 A783	A777-K779 VanDerWaalsContact C-N 3.34Å; A777-K779 PolarHBondContact O-N 2.89Å; K779-A783 PolarHBondContact O-N 3.08Å
780	L	65.7	Low	68.7	Low	65 Å²	65	66.1 Å²	66.1	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-71.3	-44.5	178.8	-97.6	143.5	0	0	0	111.7	C720 A777 K778 D782 A783 Q784	C720-L780 WeakPolarHBondContact SG-CD2 3.5Å; A777-L780 WeakPolarHBondContact O-CA 3.19Å; A777-L780 WeakPolarHBondContact O-CB 3.46Å; A777-L780 PolarHBondContact O-N 3.41Å; K778-L780 VanDerWaalsContact C-N 3.32Å; K778-L780 PolarHBondContact O-N 3.43Å; L780-D782 VanDerWaalsContact C-N 3.34Å; L780-A783 PolarHBondContact O-N 3.05Å; L780-Q784 VanDerWaalsContact O-CG 3.26Å; L780-Q784 WeakPolarHBondContact O-CG 3.11Å; L780-Q784 PolarHBondContact O-N 3.17Å; L780-Q784 VanDerWaalsContact O-N 3.14Å
781	I	68.8	Low	68.9	Low	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-44.2	177.6	-60.7	169.5	0	0	0	109.8	C716 F768 C772 A777 A783 Q784 W785 F829 L830	C716-I781 HydrophobicContact CB-CG1 4.48Å; C716-I781 WeakPolarHBondContact SG-CG1 2.77Å; F768-I781 HydrophobicContact CB-CG2 4.47Å; F768-I781 HydrophobicContact CD1-CG1 4.05Å; F768-I781 HydrophobicContact CD1-CG2 4.05Å; F768-I781 HydrophobicContact CD2-CG2 4.43Å; F768-I781 HydrophobicContact CE1-CG1 4.46Å; F768-I781 HydrophobicContact CE1-CG2 4.34Å; F768-I781 HydrophobicContact CG-CG2 4.1Å; C772-I781 HydrophobicContact CB-CD1 4.4Å; C772-I781 WeakPolarHBondContact SG-CD1 3.18Å; A777-I781 HydrophobicContact CB-CD1 4.42Å; A777-I781 VanDerWaalsContact O-CG1 3.27Å; A777-I781 WeakPolarHBondContact O-CG1 3.27Å; A777-I781 PolarHBondContact O-N 2.89Å; I781-A783 VanDerWaalsContact C-N 3.33Å; I781-A783 PolarHBondContact O-N 2.93Å; I781-Q784 CarbonylContact O-C 3.6Å; I781-Q784 PolarHBondContact O-N 3Å; I781-W785 WeakPolarHBondContact O-CB 3.43Å; I781-W785 PolarHBondContact O-N 2.94Å; I781-F829 HydrophobicContact CB-CE2 4.36Å; I781-F829 HydrophobicContact CB-CZ 4.46Å; I781-F829 HydrophobicContact CG2-CE2 4.3Å; I781-F829 HydrophobicContact CG2-CZ 4.33Å; I781-L830 HydrophobicContact CG2-CD1 4.34Å; I781-L830 HydrophobicContact CG2-CD2 3.77Å
782	D	70.1	Confident	69.4	Low	77 Å²	77	56.9 Å²	56.9	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-45.4	177.1	-169.4	33.4	0	0	0	112.1	K778 L780 Q784 W785 F829	K778-D782 WeakPolarHBondContact O-CB 3.19Å; K778-D782 PolarHBondContact O-N 3.41Å; K778-D782 VanDerWaalsContact O-N 3.1Å; L780-D782 VanDerWaalsContact C-N 3.34Å; D782-Q784 VanDerWaalsContact C-N 3.25Å; D782-Q784 PolarHBondContact O-N 3.22Å; D782-W785 PolarHBondContact O-N 3.43Å; D782-F829 HydrophobicContact CB-CD2 4.18Å; D782-F829 HydrophobicContact CB-CE2 4.27Å
783	A	71	Confident	70	Confident	73 Å²	73	56.9 Å²	56.9	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-22.3	176.4	0	0	0	0	0	114.2	K779 L780 I781 P787	K779-A783 PolarHBondContact O-N 3.08Å; L780-A783 PolarHBondContact O-N 3.05Å; I781-A783 VanDerWaalsContact C-N 3.33Å; I781-A783 PolarHBondContact O-N 2.93Å; A783-P787 WeakPolarHBondContact O-CD 3.35Å
784	Q	73.8	Confident	70.6	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-96.3	-21.6	-178.7	-71.2	173.5	1.8	0	0	113.3	C716 C720 F768 L780 I781 D782 P787 L788	C716-Q784 PolarHBondContact O-NE2 3.21Å; C716-Q784 PolarHBondContact SG-OE1 2.89Å; C716-Q784 VanDerWaalsContact SG-OE1 3.38Å; C720-Q784 PolarHBondContact SG-NE2 2.97Å; F768-Q784 VanDerWaalsContact CE1-OE1 3.28Å; F768-Q784 HydrophobicContact CZ-CB 4.16Å; L780-Q784 VanDerWaalsContact O-CG 3.26Å; L780-Q784 WeakPolarHBondContact O-CG 3.11Å; L780-Q784 PolarHBondContact O-N 3.17Å; L780-Q784 VanDerWaalsContact O-N 3.14Å; I781-Q784 CarbonylContact O-C 3.6Å; I781-Q784 PolarHBondContact O-N 3Å; D782-Q784 VanDerWaalsContact C-N 3.25Å; D782-Q784 PolarHBondContact O-N 3.22Å; Q784-P787 WeakPolarHBondContact O-CD 3.3Å; Q784-L788 PolarHBondContact O-N 2.92Å; Q784-L788 VanDerWaalsContact O-N 3.13Å
785	W	80.1	Confident	70.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-50.2	-173	-173.9	-107.5	0	0	0	112.5	L765 F768 I781 D782 L788 L789 V816 Y819 L820 L830 T834	L765-W785 HydrophobicContact CD2-CH2 4.02Å; L765-W785 HydrophobicContact CD2-CZ3 3.79Å; F768-W785 HydrophobicContact CD2-CE3 4.2Å; F768-W785 HydrophobicContact CD2-CZ3 4.11Å; F768-W785 HydrophobicContact CE2-CE3 4.05Å; F768-W785 HydrophobicContact CE2-CZ3 4.28Å; I781-W785 WeakPolarHBondContact O-CB 3.43Å; I781-W785 PolarHBondContact O-N 2.94Å; D782-W785 PolarHBondContact O-N 3.43Å; W785-L788 WeakPolarHBondContact O-CB 3.45Å; W785-L788 PolarHBondContact O-N 3.45Å; W785-L789 HydrophobicContact CZ2-CD2 4.4Å; W785-L789 WeakPolarHBondContact O-CG 3.39Å; W785-L789 PolarHBondContact O-N 2.74Å; W785-L789 VanDerWaalsContact O-N 3.14Å; W785-V816 HydrophobicContact CH2-CG1 3.88Å; W785-V816 HydrophobicContact CZ2-CG1 3.78Å; W785-Y819 AromaticContact CH2-CD1 3.86Å; W785-Y819 HydrophobicContact CH2-CD1 3.86Å; W785-Y819 HydrophobicContact CH2-CE1 4.12Å; W785-Y819 HydrophobicContact CZ3-CD1 4.13Å; W785-Y819 AromaticContact CZ3-CE1 3.99Å; W785-Y819 HydrophobicContact CZ3-CE1 3.99Å; W785-L820 HydrophobicContact CH2-CD2 4.08Å; W785-L820 HydrophobicContact CH2-CG 4.3Å; W785-L820 HydrophobicContact CZ2-CD1 4.11Å; W785-L820 HydrophobicContact CZ2-CD2 3.67Å; W785-L820 HydrophobicContact CZ2-CG 3.97Å; W785-L830 HydrophobicContact CB-CD2 4.02Å; W785-L830 HydrophobicContact CD2-CD2 3.88Å; W785-L830 HydrophobicContact CE3-CD1 4.43Å; W785-L830 HydrophobicContact CE3-CD2 4.06Å; W785-L830 HydrophobicContact CG-CD2 3.85Å; W785-L830 HydrophobicContact CZ3-CD1 4.49Å; W785-T834 PolarHBondContact NE1-OG1 3.2Å
786	T	77.6	Confident	71.5	Confident	44 Å²	44	42.4 Å²	42.4	27%	0.27	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-49	179.7	-65.6	0	0	0	0	112.5	L788 L789 E790 W837	T786-L788 VanDerWaalsContact C-N 3.28Å; T786-L788 PolarHBondContact O-N 3.44Å; T786-L789 PolarHBondContact O-N 2.9Å; T786-L789 VanDerWaalsContact O-N 3.13Å; T786-E790 WeakPolarHBondContact O-CG 3.14Å; T786-E790 PolarHBondContact O-N 3.2Å; T786-W837 HydrophobicContact CG2-CB 4.46Å; T786-W837 HydrophobicContact CG2-CG 4.33Å
787	P	78.9	Confident	71.6	Confident	19 Å²	19	42.1 Å²	42.1	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-55.1	-37.2	172.3	-30.5	36.1	0	0	0	115	A783 Q784 E790 D791	A783-P787 WeakPolarHBondContact O-CD 3.35Å; Q784-P787 WeakPolarHBondContact O-CD 3.3Å; P787-E790 PolarHBondContact O-N 3.25Å; P787-D791 PolarHBondContact O-N 3.1Å
788	L	78.9	Confident	71.4	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177.1	177.8	65	0	0	0	111.3	F740 L761 I764 L765 F768 Q784 W785 T786 E790 D791 I792	F740-L788 HydrophobicContact CE1-CD1 4.25Å; F740-L788 HydrophobicContact CZ-CD1 4.32Å; L761-L788 HydrophobicContact CD1-CD1 4.26Å; L761-L788 HydrophobicContact CD1-CD2 4.21Å; L761-L788 HydrophobicContact CD1-CG 4.47Å; I764-L788 HydrophobicContact CD1-CD1 4.1Å; I764-L788 HydrophobicContact CG2-CD1 4.25Å; I764-L788 HydrophobicContact CG2-CD2 3.78Å; L765-L788 HydrophobicContact CD2-CD2 4.45Å; F768-L788 HydrophobicContact CE2-CD2 3.74Å; Q784-L788 PolarHBondContact O-N 2.92Å; Q784-L788 VanDerWaalsContact O-N 3.13Å; W785-L788 WeakPolarHBondContact O-CB 3.45Å; W785-L788 PolarHBondContact O-N 3.45Å; T786-L788 VanDerWaalsContact C-N 3.28Å; T786-L788 PolarHBondContact O-N 3.44Å; L788-E790 VanDerWaalsContact C-N 3.31Å; L788-E790 PolarHBondContact O-N 3.41Å; L788-D791 PolarHBondContact O-N 2.69Å; L788-I792 HydrophobicContact CG-CD1 4.27Å; L788-I792 VanDerWaalsContact O-CG1 3.32Å; L788-I792 WeakPolarHBondContact O-CG1 3.48Å; L788-I792 PolarHBondContact O-N 3.38Å
789	L	78.3	Confident	70.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-39.8	175.8	-62.4	177.8	0	0	0	111.3	W785 T786 I792 C793 V816 T834 W837	W785-L789 HydrophobicContact CZ2-CD2 4.4Å; W785-L789 WeakPolarHBondContact O-CG 3.39Å; W785-L789 PolarHBondContact O-N 2.74Å; W785-L789 VanDerWaalsContact O-N 3.14Å; T786-L789 PolarHBondContact O-N 2.9Å; T786-L789 VanDerWaalsContact O-N 3.13Å; L789-I792 HydrophobicContact CD2-CD1 4.45Å; L789-I792 PolarHBondContact O-N 3.44Å; L789-C793 PolarHBondContact O-N 3.46Å; L789-C793 PolarHBondContact O-SG 3.31Å; L789-V816 HydrophobicContact CD2-CG1 4Å; L789-T834 HydrophobicContact CD1-CG2 4.33Å; L789-W837 HydrophobicContact CB-CD2 3.84Å; L789-W837 HydrophobicContact CB-CE3 4.23Å; L789-W837 HydrophobicContact CB-CG 4.36Å; L789-W837 HydrophobicContact CB-CH2 4.19Å; L789-W837 HydrophobicContact CB-CZ2 3.8Å; L789-W837 HydrophobicContact CB-CZ3 4.38Å; L789-W837 HydrophobicContact CD1-CB 4.13Å; L789-W837 HydrophobicContact CD1-CD2 3.55Å; L789-W837 HydrophobicContact CD1-CE3 3.51Å; L789-W837 HydrophobicContact CD1-CG 3.84Å; L789-W837 HydrophobicContact CD1-CZ3 4.15Å; L789-W837 HydrophobicContact CG-CD2 4.34Å; L789-W837 HydrophobicContact CG-CE3 4.42Å
790	E	77.6	Confident	70	Confident	91 Å²	91	40.2 Å²	40.2	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-41.7	173.7	-67.7	173.7	169.3	0	0	112.3	T786 P787 L788 C793 A794	T786-E790 WeakPolarHBondContact O-CG 3.14Å; T786-E790 PolarHBondContact O-N 3.2Å; P787-E790 PolarHBondContact O-N 3.25Å; L788-E790 VanDerWaalsContact C-N 3.31Å; L788-E790 PolarHBondContact O-N 3.41Å; E790-C793 WeakPolarHBondContact O-CB 3.49Å; E790-C793 PolarHBondContact O-N 3.46Å; E790-A794 PolarHBondContact O-N 3.26Å
791	D	74.1	Confident	69.5	Low	49 Å²	49	41.1 Å²	41.1	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-63.7	-40.2	175.4	-71.7	-29.2	0	0	0	111.8	K735 F740 P787 L788 A794 C795	K735-D791 IonicContact NZ-OD1 3.31Å; K735-D791 IonicContact NZ-OD2 3.83Å; K735-D791 PolarHBondContact NZ-OD2 3.33Å; F740-D791 HydrophobicContact CD1-CB 4.23Å; F740-D791 HydrophobicContact CE1-CB 3.76Å; P787-D791 PolarHBondContact O-N 3.1Å; L788-D791 PolarHBondContact O-N 2.69Å; D791-A794 WeakPolarHBondContact O-CB 3.44Å; D791-A794 PolarHBondContact O-N 3.39Å; D791-C795 PolarHBondContact O-N 3.4Å; D791-C795 PolarHBondContact O-SG 3.43Å
792	I	75	Confident	68.8	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-44.9	175.6	-68.6	166.7	0	0	0	110.1	F740 L761 L788 L789 A794 C795 I796 L812 F813 V816	F740-I792 HydrophobicContact CE1-CG1 4.49Å; F740-I792 HydrophobicContact CZ-CG1 3.87Å; L761-I792 HydrophobicContact CD1-CD1 3.75Å; L761-I792 HydrophobicContact CD1-CG1 4.36Å; L761-I792 HydrophobicContact CD2-CD1 3.94Å; L761-I792 HydrophobicContact CD2-CG1 4.39Å; L788-I792 HydrophobicContact CG-CD1 4.27Å; L788-I792 VanDerWaalsContact O-CG1 3.32Å; L788-I792 WeakPolarHBondContact O-CG1 3.48Å; L788-I792 PolarHBondContact O-N 3.38Å; L789-I792 HydrophobicContact CD2-CD1 4.45Å; L789-I792 PolarHBondContact O-N 3.44Å; I792-A794 VanDerWaalsContact C-N 3.33Å; I792-A794 PolarHBondContact O-N 3.1Å; I792-C795 WeakPolarHBondContact O-CB 3.41Å; I792-C795 PolarHBondContact O-N 3.03Å; I792-C795 VanDerWaalsContact O-N 3.16Å; I792-I796 HydrophobicContact CG2-CD1 3.95Å; I792-I796 VanDerWaalsContact O-CG1 3.31Å; I792-I796 WeakPolarHBondContact O-CG1 3.27Å; I792-I796 PolarHBondContact O-N 3.36Å; I792-L812 HydrophobicContact CG2-CB 3.87Å; I792-L812 HydrophobicContact CG2-CD1 4.23Å; I792-F813 HydrophobicContact CG2-CD2 4.43Å; I792-F813 HydrophobicContact CG2-CE2 4.07Å; I792-F813 HydrophobicContact CG2-CZ 4.19Å; I792-V816 HydrophobicContact CD1-CG2 3.57Å
793	C	74	Confident	67.8	Low	8 Å²	8	51.8 Å²	51.8	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-43	175.2	-73.1	0	0	0	0	112.2	L789 E790 C795 I796 N797 W837 Y846	L789-C793 PolarHBondContact O-N 3.46Å; L789-C793 PolarHBondContact O-SG 3.31Å; E790-C793 WeakPolarHBondContact O-CB 3.49Å; E790-C793 PolarHBondContact O-N 3.46Å; C793-C795 VanDerWaalsContact C-N 3.33Å; C793-C795 PolarHBondContact O-N 3.29Å; C793-I796 PolarHBondContact O-N 2.92Å; C793-N797 PolarHBondContact O-N 2.94Å; C793-N797 VanDerWaalsContact O-N 3.15Å; C793-W837 WeakPolarHBondContact SG-CZ2 3.02Å; C793-Y846 HydrophobicContact CB-CD1 4.33Å; C793-Y846 HydrophobicContact CB-CD2 3.93Å; C793-Y846 HydrophobicContact CB-CE1 3.92Å; C793-Y846 HydrophobicContact CB-CE2 3.45Å; C793-Y846 VanDerWaalsContact CB-CE2 3.45Å; C793-Y846 HydrophobicContact CB-CG 4.33Å; C793-Y846 VanDerWaalsContact CB-CZ 3.44Å; C793-Y846 PolarHBondContact O-OH 3.35Å; C793-Y846 VanDerWaalsContact O-OH 3.13Å; C793-Y846 WeakPolarHBondContact SG-CD2 3.48Å; C793-Y846 WeakPolarHBondContact SG-CE2 3.47Å
794	A	71.7	Confident	67.1	Low	44 Å²	44	49.6 Å²	49.6	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-40.7	174.4	0	0	0	0	0	111.8	E790 D791 I792 I796 N797 L798	E790-A794 PolarHBondContact O-N 3.26Å; D791-A794 WeakPolarHBondContact O-CB 3.44Å; D791-A794 PolarHBondContact O-N 3.39Å; I792-A794 VanDerWaalsContact C-N 3.33Å; I792-A794 PolarHBondContact O-N 3.1Å; A794-I796 VanDerWaalsContact C-N 3.31Å; A794-I796 PolarHBondContact O-N 3.48Å; A794-N797 PolarHBondContact O-N 2.87Å; A794-L798 VanDerWaalsContact O-CG 3.31Å; A794-L798 WeakPolarHBondContact O-CG 3.39Å
795	C	67.1	Low	66.4	Low	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-38.2	175.9	-69.5	0	0	0	0	113.2	F740 D791 I792 C793 L812	F740-C795 PolarHBondContact O-SG 3.29Å; D791-C795 PolarHBondContact O-N 3.4Å; D791-C795 PolarHBondContact O-SG 3.43Å; I792-C795 WeakPolarHBondContact O-CB 3.41Å; I792-C795 PolarHBondContact O-N 3.03Å; I792-C795 VanDerWaalsContact O-N 3.16Å; C793-C795 VanDerWaalsContact C-N 3.33Å; C793-C795 PolarHBondContact O-N 3.29Å; C795-L812 HydrophobicContact CB-CD1 4.16Å
796	I	65.9	Low	65.4	Low	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-43.4	179.7	-67.2	162.9	0	0	0	110.4	I792 C793 A794 L798 A799 H805 L812 F813 Y846 Y849	I792-I796 HydrophobicContact CG2-CD1 3.95Å; I792-I796 VanDerWaalsContact O-CG1 3.31Å; I792-I796 WeakPolarHBondContact O-CG1 3.27Å; I792-I796 PolarHBondContact O-N 3.36Å; C793-I796 PolarHBondContact O-N 2.92Å; A794-I796 VanDerWaalsContact C-N 3.31Å; A794-I796 PolarHBondContact O-N 3.48Å; I796-L798 PolarHBondContact O-N 2.92Å; I796-A799 PolarHBondContact O-N 2.88Å; I796-H805 WeakPolarHBondContact CG2-CE1 3.35Å; I796-H805 WeakPolarHBondContact CG2-NE2 3.49Å; I796-H805 PolarHBondContact O-CD2 2.66Å; I796-L812 HydrophobicContact CG1-CD1 4.19Å; I796-F813 HydrophobicContact CD1-CD2 3.8Å; I796-F813 HydrophobicContact CD1-CE2 3.42Å; I796-F813 VanDerWaalsContact CD1-CE2 3.42Å; I796-Y846 HydrophobicContact CB-CD1 4.47Å; I796-Y846 HydrophobicContact CB-CE1 3.99Å; I796-Y846 HydrophobicContact CD1-CD1 3.96Å; I796-Y846 HydrophobicContact CD1-CE1 4.26Å; I796-Y846 HydrophobicContact CG2-CD1 4.26Å; I796-Y846 HydrophobicContact CG2-CE1 3.91Å; I796-Y849 HydrophobicContact CG2-CE2 4.28Å
797	N	62.4	Low	64.8	Low	95 Å²	95	54.7 Å²	54.7	51%	0.508	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12	-178.2	-80.3	-2.3	0	0	0	115.5	C793 A794 A799 Y846	C793-N797 PolarHBondContact O-N 2.94Å; C793-N797 VanDerWaalsContact O-N 3.15Å; A794-N797 PolarHBondContact O-N 2.87Å; N797-A799 VanDerWaalsContact C-N 3.28Å; N797-A799 PolarHBondContact O-N 3.45Å; N797-Y846 PolarHBondContact ND2-OH 3.41Å; N797-Y846 PolarHBondContact OD1-OH 3.3Å
798	L	55.6	Low	64.3	Low	39 Å²	39	54.3 Å²	54.3	20%	0.204	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.6	-176.8	-53.3	176.5	0	0	0	114.6	G742 A794 I796 E800	G742-L798 WeakPolarHBondContact O-CD2 3.4Å; A794-L798 VanDerWaalsContact O-CG 3.31Å; A794-L798 WeakPolarHBondContact O-CG 3.39Å; I796-L798 PolarHBondContact O-N 2.92Å; L798-E800 PolarHBondContact O-N 3.45Å
799	A	53.8	Low	63.7	Low	15 Å²	15	53.9 Å²	53.9	12%	0.124	27%	0.267	C	S	.	.			trans	-87.1	106.1	-174.2	0	0	0	0	0	110.3	I796 N797 N801 V804 H805	I796-A799 PolarHBondContact O-N 2.88Å; N797-A799 VanDerWaalsContact C-N 3.28Å; N797-A799 PolarHBondContact O-N 3.45Å; A799-N801 PolarHBondContact O-N 2.96Å; A799-V804 HydrophobicContact CB-CB 3.94Å; A799-V804 HydrophobicContact CB-CG1 3.69Å; A799-H805 HydrophobicContact CB-CB 3.81Å
800	E	50.8	Low	63.4	Low	194 Å²	194	56.5 Å²	56.5	91%	0.907	28%	0.278	S	S	*	.	S	Bend	trans	-60.3	-34.8	169	-67.5	-173.8	168.3	0	0	111.1	L798 R802	L798-E800 PolarHBondContact O-N 3.45Å; E800-R802 PolarHBondContact O-N 3.22Å
801	N	54.9	Low	63.2	Low	84 Å²	84	54.4 Å²	54.4	45%	0.449	27%	0.269	S	S	.	.	S	Bend	trans	-79.3	116.7	174.6	-174.2	-24.7	0	0	0	110.7	A799 F803 V804 H805	A799-N801 PolarHBondContact O-N 2.96Å; N801-F803 PolarHBondContact O-N 3.38Å; N801-F803 WeakPolarHBondContact OD1-CB 3.29Å; N801-F803 PolarHBondContact OD1-N 3.21Å; N801-V804 HydrophobicContact CB-CB 4.17Å; N801-V804 HydrophobicContact CB-CG2 3.88Å; N801-V804 WeakPolarHBondContact O-CB 3.35Å; N801-V804 PolarHBondContact O-N 3.22Å; N801-V804 VanDerWaalsContact O-N 3.1Å; N801-H805 PolarHBondContact O-N 2.97Å
802	R	52.5	Low	63.4	Low	182 Å²	182	52.1 Å²	52.1	69%	0.687	26%	0.257	S	S	*	.	H	α-helix	trans	-55.3	-34	178.4	-171	176.8	177.7	-169.8	-4.2	113.5	E800 H805 I806	E800-R802 PolarHBondContact O-N 3.22Å; R802-H805 WeakPolarHBondContact O-CB 3.47Å; R802-H805 PolarHBondContact O-N 3.09Å; R802-I806 HydrophobicContact CG-CD1 4.05Å; R802-I806 VanDerWaalsContact O-CG1 3.26Å; R802-I806 WeakPolarHBondContact O-CG1 3.25Å; R802-I806 PolarHBondContact O-N 3.06Å
803	F	50	Low	63.5	Low	119 Å²	119	52.2 Å²	52.2	52%	0.522	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-44.8	176.9	-72.1	-86.2	0	0	0	111.6	N801 H805 I806 N807	N801-F803 PolarHBondContact O-N 3.38Å; N801-F803 WeakPolarHBondContact OD1-CB 3.29Å; N801-F803 PolarHBondContact OD1-N 3.21Å; F803-H805 VanDerWaalsContact C-N 3.3Å; F803-H805 PolarHBondContact O-N 3.1Å; F803-I806 PolarHBondContact O-N 3.4Å; F803-N807 WeakPolarHBondContact O-CB 3.43Å; F803-N807 PolarHBondContact O-N 3.49Å
804	V	55.9	Low	63.8	Low	27 Å²	27	53.7 Å²	53.7	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-41.6	175.3	175.8	0	0	0	0	110.3	A750 A799 N801 I806 R808	A750-V804 HydrophobicContact CB-CB 4.01Å; A750-V804 HydrophobicContact CB-CG1 3.46Å; A750-V804 VanDerWaalsContact CB-CG1 3.46Å; A750-V804 HydrophobicContact CB-CG2 3.3Å; A799-V804 HydrophobicContact CB-CB 3.94Å; A799-V804 HydrophobicContact CB-CG1 3.69Å; N801-V804 HydrophobicContact CB-CB 4.17Å; N801-V804 HydrophobicContact CB-CG2 3.88Å; N801-V804 WeakPolarHBondContact O-CB 3.35Å; N801-V804 PolarHBondContact O-N 3.22Å; N801-V804 VanDerWaalsContact O-N 3.1Å; V804-I806 PolarHBondContact O-N 2.84Å; V804-R808 HydrophobicContact CG1-CG 4.21Å; V804-R808 VanDerWaalsContact CG1-CZ 3.48Å; V804-R808 VanDerWaalsContact CG1-NE 3.33Å; V804-R808 WeakPolarHBondContact O-CB 3.45Å; V804-R808 WeakPolarHBondContact O-CG 3.5Å; V804-R808 PolarHBondContact O-N 3.3Å
805	H	59.9	Low	64.4	Low	42 Å²	42	52.1 Å²	52.1	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-46.3	175.6	-171.8	-76.1	0	0	0	111.9	I796 A799 N801 R802 F803 G809 Y849	I796-H805 WeakPolarHBondContact CG2-CE1 3.35Å; I796-H805 WeakPolarHBondContact CG2-NE2 3.49Å; I796-H805 PolarHBondContact O-CD2 2.66Å; A799-H805 HydrophobicContact CB-CB 3.81Å; N801-H805 PolarHBondContact O-N 2.97Å; R802-H805 WeakPolarHBondContact O-CB 3.47Å; R802-H805 PolarHBondContact O-N 3.09Å; F803-H805 VanDerWaalsContact C-N 3.3Å; F803-H805 PolarHBondContact O-N 3.1Å; H805-G809 PolarHBondContact O-N 2.96Å; H805-Y849 PolarHBondContact CE1-OH 3.27Å; H805-Y849 AromaticContact ND1-CZ 3.95Å; H805-Y849 PolarHBondContact ND1-OH 3.36Å
806	I	59.7	Low	65.1	Low	49 Å²	49	52.3 Å²	52.3	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-47.8	-179.9	-69.3	165.7	0	0	0	111.3	R802 F803 V804 G809 K810 Y849	R802-I806 HydrophobicContact CG-CD1 4.05Å; R802-I806 VanDerWaalsContact O-CG1 3.26Å; R802-I806 WeakPolarHBondContact O-CG1 3.25Å; R802-I806 PolarHBondContact O-N 3.06Å; F803-I806 PolarHBondContact O-N 3.4Å; V804-I806 PolarHBondContact O-N 2.84Å; I806-G809 PolarHBondContact O-N 2.99Å; I806-K810 HydrophobicContact CG2-CD 4.38Å; I806-K810 WeakPolarHBondContact O-CG 3.49Å; I806-K810 PolarHBondContact O-N 2.96Å; I806-Y849 HydrophobicContact CG2-CE1 4.46Å
807	N	64.1	Low	65.8	Low	82 Å²	82	52.4 Å²	52.4	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-66.2	-40	-179.4	-75.4	-15	0	0	0	111.8	F803 K810 I811	F803-N807 WeakPolarHBondContact O-CB 3.43Å; F803-N807 PolarHBondContact O-N 3.49Å; N807-K810 PolarHBondContact O-N 3.4Å; N807-I811 WeakPolarHBondContact O-CB 3.28Å; N807-I811 VanDerWaalsContact O-CG1 3.27Å; N807-I811 WeakPolarHBondContact O-CG1 3.09Å; N807-I811 PolarHBondContact O-N 3.44Å
808	R	67.6	Low	66.7	Low	11 Å²	11	49.9 Å²	49.9	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-49.4	171.4	-79.3	178	-179	174.9	5.8	111.9	A750 T754 V804 K810 I811 L812	A750-R808 PolarHBondContact O-NH2 3.4Å; T754-R808 HydrophobicContact CG2-CB 4.36Å; T754-R808 HydrophobicContact CG2-CG 3.69Å; T754-R808 WeakPolarHBondContact OG1-CG 3.49Å; T754-R808 PolarHBondContact OG1-NE 3.1Å; V804-R808 HydrophobicContact CG1-CG 4.21Å; V804-R808 VanDerWaalsContact CG1-CZ 3.48Å; V804-R808 VanDerWaalsContact CG1-NE 3.33Å; V804-R808 WeakPolarHBondContact O-CB 3.45Å; V804-R808 WeakPolarHBondContact O-CG 3.5Å; V804-R808 PolarHBondContact O-N 3.3Å; R808-K810 PolarHBondContact O-N 3.13Å; R808-I811 PolarHBondContact O-N 3.38Å; R808-L812 WeakPolarHBondContact O-CB 3.32Å; R808-L812 VanDerWaalsContact O-CG 3.3Å; R808-L812 WeakPolarHBondContact O-CG 3.2Å; R808-L812 PolarHBondContact O-N 2.93Å
809	G	67.2	Low	67.9	Low	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-48.9	178.3	0	0	0	0	0	112	H805 I806 F813	H805-G809 PolarHBondContact O-N 2.96Å; I806-G809 PolarHBondContact O-N 2.99Å; G809-F813 WeakPolarHBondContact O-CB 3.47Å; G809-F813 WeakPolarHBondContact O-CD2 3.43Å; G809-F813 PolarHBondContact O-N 3.28Å; G809-F813 VanDerWaalsContact O-N 3.1Å
810	K	71.3	Confident	69.1	Low	55 Å²	55	48.2 Å²	48.2	24%	0.239	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-51.1	177.2	-73.2	-177.7	176.7	-171.6	0	112.4	I806 N807 R808 N814 Y849	I806-K810 HydrophobicContact CG2-CD 4.38Å; I806-K810 WeakPolarHBondContact O-CG 3.49Å; I806-K810 PolarHBondContact O-N 2.96Å; N807-K810 PolarHBondContact O-N 3.4Å; R808-K810 PolarHBondContact O-N 3.13Å; K810-N814 WeakPolarHBondContact O-CB 3.27Å; K810-N814 PolarHBondContact O-N 3.23Å; K810-Y849 HydrophobicContact CG-CD1 4.36Å
811	I	74.4	Confident	70.3	Confident	48 Å²	48	39.3 Å²	39.3	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-48.2	-174.3	-70.9	166.9	0	0	0	111.2	T754 R758 N807 R808 N814 S815	T754-I811 HydrophobicContact CG2-CB 4.15Å; T754-I811 HydrophobicContact CG2-CD1 3.67Å; T754-I811 HydrophobicContact CG2-CG2 4.19Å; R758-I811 HydrophobicContact CB-CG2 3.85Å; R758-I811 HydrophobicContact CG-CG2 3.72Å; N807-I811 WeakPolarHBondContact O-CB 3.28Å; N807-I811 VanDerWaalsContact O-CG1 3.27Å; N807-I811 WeakPolarHBondContact O-CG1 3.09Å; N807-I811 PolarHBondContact O-N 3.44Å; R808-I811 PolarHBondContact O-N 3.38Å; I811-N814 PolarHBondContact O-N 3.32Å; I811-S815 PolarHBondContact O-N 3.39Å
812	L	77.5	Confident	71.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-43.9	-176.1	-62.6	175.5	0	0	0	111.9	Q757 R758 L761 I792 C795 I796 R808 N814 S815 V816	Q757-L812 HydrophobicContact CB-CD2 3.82Å; R758-L812 HydrophobicContact CB-CD2 4.31Å; L761-L812 HydrophobicContact CD2-CB 4.18Å; L761-L812 HydrophobicContact CD2-CD2 4.09Å; L761-L812 VanDerWaalsContact CD2-O 3.3Å; L761-L812 WeakPolarHBondContact CD2-O 3.35Å; I792-L812 HydrophobicContact CG2-CB 3.87Å; I792-L812 HydrophobicContact CG2-CD1 4.23Å; C795-L812 HydrophobicContact CB-CD1 4.16Å; I796-L812 HydrophobicContact CG1-CD1 4.19Å; R808-L812 WeakPolarHBondContact O-CB 3.32Å; R808-L812 VanDerWaalsContact O-CG 3.3Å; R808-L812 WeakPolarHBondContact O-CG 3.2Å; R808-L812 PolarHBondContact O-N 2.93Å; L812-N814 VanDerWaalsContact C-N 3.33Å; L812-N814 PolarHBondContact O-N 3.47Å; L812-S815 PolarHBondContact O-N 2.89Å; L812-V816 PolarHBondContact O-N 2.62Å
813	F	78	Confident	71.4	Confident	3 Å²	3	32.9 Å²	32.9	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-71.4	-26.9	177.5	-83.1	-72.8	0	0	0	113	I792 I796 G809 V816 V817 W837 Y846 Y849 V850	I792-F813 HydrophobicContact CG2-CD2 4.43Å; I792-F813 HydrophobicContact CG2-CE2 4.07Å; I792-F813 HydrophobicContact CG2-CZ 4.19Å; I796-F813 HydrophobicContact CD1-CD2 3.8Å; I796-F813 HydrophobicContact CD1-CE2 3.42Å; I796-F813 VanDerWaalsContact CD1-CE2 3.42Å; G809-F813 WeakPolarHBondContact O-CB 3.47Å; G809-F813 WeakPolarHBondContact O-CD2 3.43Å; G809-F813 PolarHBondContact O-N 3.28Å; G809-F813 VanDerWaalsContact O-N 3.1Å; F813-V816 PolarHBondContact O-N 2.83Å; F813-V817 WeakPolarHBondContact O-CB 3.3Å; F813-V817 WeakPolarHBondContact O-CG2 3.3Å; F813-V817 PolarHBondContact O-N 3.45Å; F813-W837 HydrophobicContact CE1-CH2 4.26Å; F813-W837 HydrophobicContact CE1-CZ3 4.38Å; F813-W837 HydrophobicContact CZ-CH2 4.01Å; F813-Y846 HydrophobicContact CE2-CD1 4.31Å; F813-Y846 HydrophobicContact CE2-CG 4.37Å; F813-Y849 VanDerWaalsContact CD2-CB 3.5Å; F813-Y849 HydrophobicContact CD2-CD2 4.45Å; F813-Y849 HydrophobicContact CD2-CG 4.28Å; F813-V850 HydrophobicContact CD1-CG2 3.55Å; F813-V850 HydrophobicContact CE1-CG2 3.62Å; F813-V850 HydrophobicContact CG-CG2 4.19Å; F813-V850 HydrophobicContact CZ-CG2 4.3Å
814	N	80.6	Confident	72	Confident	39 Å²	39	29.5 Å²	29.5	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-42.8	173.8	-162	20.6	0	0	0	111.2	K810 I811 L812 V816 V817 S818 S853 E856 N857	K810-N814 WeakPolarHBondContact O-CB 3.27Å; K810-N814 PolarHBondContact O-N 3.23Å; I811-N814 PolarHBondContact O-N 3.32Å; L812-N814 VanDerWaalsContact C-N 3.33Å; L812-N814 PolarHBondContact O-N 3.47Å; N814-V816 VanDerWaalsContact C-N 3.34Å; N814-V816 PolarHBondContact O-N 2.93Å; N814-V817 PolarHBondContact O-N 3.4Å; N814-S818 VanDerWaalsContact O-CB 3.31Å; N814-S818 WeakPolarHBondContact O-CB 3.45Å; N814-S818 PolarHBondContact O-N 3.3Å; N814-S818 PolarHBondContact O-OG 3.1Å; N814-S818 VanDerWaalsContact O-OG 3.08Å; N814-S853 WeakPolarHBondContact CA-OG 3.45Å; N814-S853 PolarHBondContact N-OG 3.08Å; N814-S853 VanDerWaalsContact N-OG 3.12Å; N814-E856 PolarHBondContact ND2-OE2 3.49Å; N814-N857 PolarHBondContact OD1-ND2 3.43Å
815	S	82.8	Confident	72	Confident	11 Å²	11	31.6 Å²	31.6	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-44	172.9	-73.5	0	0	0	0	112.6	D762 L765 I811 L812 Y819	D762-S815 WeakPolarHBondContact OD1-CB 3.43Å; D762-S815 PolarHBondContact OD1-OG 2.99Å; L765-S815 WeakPolarHBondContact CD1-O 3.5Å; I811-S815 PolarHBondContact O-N 3.39Å; L812-S815 PolarHBondContact O-N 2.89Å; S815-Y819 WeakPolarHBondContact O-CB 3.43Å; S815-Y819 PolarHBondContact O-N 2.98Å
816	V	82.3	Confident	72.1	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-47.3	177.5	177.2	0	0	0	0	111.5	L761 W785 L789 I792 L812 F813 N814 Y819 L820	L761-V816 HydrophobicContact CD1-CG2 4.45Å; L761-V816 HydrophobicContact CD2-CG2 4.12Å; W785-V816 HydrophobicContact CH2-CG1 3.88Å; W785-V816 HydrophobicContact CZ2-CG1 3.78Å; L789-V816 HydrophobicContact CD2-CG1 4Å; I792-V816 HydrophobicContact CD1-CG2 3.57Å; L812-V816 PolarHBondContact O-N 2.62Å; F813-V816 PolarHBondContact O-N 2.83Å; N814-V816 VanDerWaalsContact C-N 3.34Å; N814-V816 PolarHBondContact O-N 2.93Å; V816-Y819 WeakPolarHBondContact O-CB 3.39Å; V816-Y819 PolarHBondContact O-N 3.26Å; V816-L820 HydrophobicContact CG1-CD1 4.16Å; V816-L820 WeakPolarHBondContact O-CG 3.2Å; V816-L820 PolarHBondContact O-N 2.96Å
817	V	79.7	Confident	72.5	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-47	-178.4	170.8	0	0	0	0	110.7	F813 N814 Y819 L820 V821 V850 L854 N857	F813-V817 WeakPolarHBondContact O-CB 3.3Å; F813-V817 WeakPolarHBondContact O-CG2 3.3Å; F813-V817 PolarHBondContact O-N 3.45Å; N814-V817 PolarHBondContact O-N 3.4Å; V817-Y819 PolarHBondContact O-N 3.49Å; V817-L820 PolarHBondContact O-N 2.99Å; V817-V821 HydrophobicContact CG1-CG2 3.95Å; V817-V821 WeakPolarHBondContact O-CB 3.44Å; V817-V821 WeakPolarHBondContact O-CG2 3.27Å; V817-V821 PolarHBondContact O-N 3.37Å; V817-V850 HydrophobicContact CG2-CG1 4.4Å; V817-L854 HydrophobicContact CG1-CD2 3.64Å; V817-L854 HydrophobicContact CG1-CG 4.05Å; V817-L854 HydrophobicContact CG2-CD2 4.41Å; V817-L854 HydrophobicContact CG2-CG 4.26Å; V817-N857 HydrophobicContact CG1-CB 4.33Å
818	S	81.8	Confident	72.8	Confident	41 Å²	41	30.4 Å²	30.4	29%	0.287	20%	0.201	S	C	.	.	H	α-helix	trans	-56.7	-38.8	174.1	-63.7	0	0	0	0	111.3	N814 V821 D822 N857	N814-S818 VanDerWaalsContact O-CB 3.31Å; N814-S818 WeakPolarHBondContact O-CB 3.45Å; N814-S818 PolarHBondContact O-N 3.3Å; N814-S818 PolarHBondContact O-OG 3.1Å; N814-S818 VanDerWaalsContact O-OG 3.08Å; S818-V821 PolarHBondContact O-N 2.94Å; S818-D822 WeakPolarHBondContact O-CB 3.41Å; S818-D822 PolarHBondContact O-N 2.92Å; S818-N857 PolarHBondContact OG-OD1 3.5Å; S818-N857 VanDerWaalsContact OG-OD1 3.06Å
819	Y	81.1	Confident	73	Confident	12 Å²	12	31 Å²	31	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-44.8	172.8	174.6	-94.7	0	0	0	113.2	L765 F768 K769 W785 S815 V816 V817 V821 D822 K827 L830	L765-Y819 HydrophobicContact CB-CD2 3.84Å; L765-Y819 HydrophobicContact CB-CE2 4.36Å; L765-Y819 HydrophobicContact CB-CG 4.09Å; L765-Y819 HydrophobicContact CD1-CG 4.46Å; L765-Y819 HydrophobicContact CD2-CD1 3.89Å; L765-Y819 HydrophobicContact CD2-CD2 4.4Å; L765-Y819 HydrophobicContact CD2-CE1 4.4Å; L765-Y819 HydrophobicContact CD2-CG 3.88Å; L765-Y819 HydrophobicContact CG-CG 4.35Å; L765-Y819 WeakPolarHBondContact O-CE2 3.32Å; F768-Y819 HydrophobicContact CB-CE2 4.49Å; F768-Y819 VanDerWaalsContact CB-OH 3.28Å; F768-Y819 WeakPolarHBondContact CB-OH 3.35Å; K769-Y819 HydrophobicContact CB-CE2 3.87Å; K769-Y819 HydrophobicContact CG-CE2 4.35Å; K769-Y819 PolarHBondContact N-OH 2.86Å; W785-Y819 AromaticContact CH2-CD1 3.86Å; W785-Y819 HydrophobicContact CH2-CD1 3.86Å; W785-Y819 HydrophobicContact CH2-CE1 4.12Å; W785-Y819 HydrophobicContact CZ3-CD1 4.13Å; W785-Y819 AromaticContact CZ3-CE1 3.99Å; W785-Y819 HydrophobicContact CZ3-CE1 3.99Å; S815-Y819 WeakPolarHBondContact O-CB 3.43Å; S815-Y819 PolarHBondContact O-N 2.98Å; V816-Y819 WeakPolarHBondContact O-CB 3.39Å; V816-Y819 PolarHBondContact O-N 3.26Å; V817-Y819 PolarHBondContact O-N 3.49Å; Y819-V821 VanDerWaalsContact C-N 3.29Å; Y819-V821 PolarHBondContact O-N 2.88Å; Y819-D822 PolarHBondContact O-N 3.31Å; Y819-K827 HydrophobicContact CE1-CD 4.35Å; Y819-K827 WeakPolarHBondContact O-CD 3.26Å; Y819-K827 PolarHBondContact O-NZ 3.33Å; Y819-L830 HydrophobicContact CE1-CD1 3.74Å
820	L	78.6	Confident	73.4	Confident	8 Å²	8	31 Å²	31	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-37.4	178.2	-73.7	173.7	0	0	0	111.9	W785 V816 V817 L830 I831 T834	W785-L820 HydrophobicContact CH2-CD2 4.08Å; W785-L820 HydrophobicContact CH2-CG 4.3Å; W785-L820 HydrophobicContact CZ2-CD1 4.11Å; W785-L820 HydrophobicContact CZ2-CD2 3.67Å; W785-L820 HydrophobicContact CZ2-CG 3.97Å; V816-L820 HydrophobicContact CG1-CD1 4.16Å; V816-L820 WeakPolarHBondContact O-CG 3.2Å; V816-L820 PolarHBondContact O-N 2.96Å; V817-L820 PolarHBondContact O-N 2.99Å; L820-L830 HydrophobicContact CD2-CB 3.78Å; L820-I831 HydrophobicContact CD2-CG1 4.26Å; L820-T834 HydrophobicContact CD1-CG2 4.21Å
821	V	76.6	Confident	73.5	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.036	20%	0.202	C	C	.	.	H	α-helix	trans	-75.1	-32.7	-179.3	176.8	0	0	0	0	110.8	V817 S818 Y819 G823 N857 K861 V864 C865	V817-V821 HydrophobicContact CG1-CG2 3.95Å; V817-V821 WeakPolarHBondContact O-CB 3.44Å; V817-V821 WeakPolarHBondContact O-CG2 3.27Å; V817-V821 PolarHBondContact O-N 3.37Å; S818-V821 PolarHBondContact O-N 2.94Å; Y819-V821 VanDerWaalsContact C-N 3.29Å; Y819-V821 PolarHBondContact O-N 2.88Å; V821-G823 PolarHBondContact O-N 3.28Å; V821-N857 HydrophobicContact CG2-CB 4.48Å; V821-K861 HydrophobicContact CG1-CB 3.62Å; V821-K861 HydrophobicContact CG1-CD 3.58Å; V821-K861 HydrophobicContact CG1-CG 3.68Å; V821-K861 WeakPolarHBondContact O-CD 3.4Å; V821-K861 WeakPolarHBondContact O-CE 3.42Å; V821-K861 PolarHBondContact O-NZ 3.06Å; V821-V864 HydrophobicContact CG2-CG1 4.49Å; V821-C865 VanDerWaalsContact CG2-SG 3.56Å
822	D	73.1	Confident	73.5	Confident	70 Å²	70	32.4 Å²	32.4	37%	0.374	22%	0.215	S	C	.	.	S	Bend	trans	-54.4	129.2	179	-112.8	10.2	0	0	0	113.8	K769 S818 Y819 D824 K827	K769-D822 IonicContact NZ-OD2 2.63Å; K769-D822 PolarHBondContact NZ-OD2 3.27Å; S818-D822 WeakPolarHBondContact O-CB 3.41Å; S818-D822 PolarHBondContact O-N 2.92Å; Y819-D822 PolarHBondContact O-N 3.31Å; D822-D824 VanDerWaalsContact C-N 3.34Å; D822-D824 PolarHBondContact O-N 3.15Å; D822-K827 PolarHBondContact O-NZ 3.29Å
823	G	57.1	Low	73.4	Confident	61 Å²	61	32.9 Å²	32.9	63%	0.629	22%	0.218	S	C	*	.	S	Bend	trans	-78.4	36.2	-143.3	0	0	0	0	0	120.3	V821	V821-G823 PolarHBondContact O-N 3.28Å
824	D	62	Low	73.4	Confident	48 Å²	48	33 Å²	33	26%	0.257	22%	0.219	S	C	.	.			trans	-90.4	111	170.1	-102.3	-21.1	0	0	0	109.2	R773 D822 N826 K827	R773-D824 IonicContact CZ-OD2 3.4Å; R773-D824 IonicContact NE-OD2 2.67Å; R773-D824 IonicContact NH2-OD1 2.76Å; R773-D824 IonicContact NH2-OD2 2.69Å; R773-D824 PolarHBondContact NH2-OD2 3.41Å; D822-D824 VanDerWaalsContact C-N 3.34Å; D822-D824 PolarHBondContact O-N 3.15Å; D824-N826 PolarHBondContact O-N 3.37Å; D824-K827 PolarHBondContact O-N 3.38Å
825	G	57.5	Low	72.9	Confident	72 Å²	72	31.7 Å²	31.7	74%	0.742	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-56.1	-10.3	174.7	0	0	0	0	0	114.2	K827	G825-K827 PolarHBondContact O-N 3.1Å
826	N	60.2	Low	72.6	Confident	85 Å²	85	36.6 Å²	36.6	46%	0.455	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-67.9	-9.3	170.3	-76.6	-26.8	0	0	0	114.4	D824 F829	D824-N826 PolarHBondContact O-N 3.37Å; N826-F829 WeakPolarHBondContact O-CD1 3.49Å; N826-F829 WeakPolarHBondContact O-CE1 3.37Å
827	K	69.6	Low	72.4	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.022	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-90.9	1.4	-176.5	-64.8	178.5	-175.3	168.3	0	115.7	Y819 D822 D824 G825 F829 L830 I831	Y819-K827 HydrophobicContact CE1-CD 4.35Å; Y819-K827 WeakPolarHBondContact O-CD 3.26Å; Y819-K827 PolarHBondContact O-NZ 3.33Å; D822-K827 PolarHBondContact O-NZ 3.29Å; D824-K827 PolarHBondContact O-N 3.38Å; G825-K827 PolarHBondContact O-N 3.1Å; K827-F829 PolarHBondContact O-N 3.12Å; K827-F829 VanDerWaalsContact O-N 3.1Å; K827-L830 WeakPolarHBondContact O-CB 3.3Å; K827-L830 PolarHBondContact O-N 2.92Å; K827-I831 PolarHBondContact O-N 3.14Å; K827-I831 VanDerWaalsContact O-N 3.15Å
828	A	70.1	Confident	71.9	Confident	57 Å²	57	36.7 Å²	36.7	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-51.3	-38.1	179.9	0	0	0	0	0	113.2	L830 I831 D832	A828-L830 VanDerWaalsContact C-N 3.34Å; A828-L830 PolarHBondContact O-N 2.99Å; A828-I831 WeakPolarHBondContact O-CB 3.36Å; A828-I831 PolarHBondContact O-N 3.41Å; A828-D832 PolarHBondContact O-N 3.48Å
829	F	71.6	Confident	71.4	Confident	24 Å²	24	39.4 Å²	39.4	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-31.2	176.9	76.1	-79.8	0	0	0	113.9	K778 I781 D782 N826 K827 A833	K778-F829 HydrophobicContact CD-CD1 4.24Å; K778-F829 HydrophobicContact CD-CE1 4.32Å; K778-F829 VanDerWaalsContact CE-CG 3.41Å; K778-F829 HydrophobicContact CG-CD1 4.13Å; K778-F829 HydrophobicContact CG-CD2 4.18Å; K778-F829 HydrophobicContact CG-CE1 3.87Å; K778-F829 HydrophobicContact CG-CE2 3.92Å; K778-F829 HydrophobicContact CG-CG 4.26Å; K778-F829 HydrophobicContact CG-CZ 3.76Å; I781-F829 HydrophobicContact CB-CE2 4.36Å; I781-F829 HydrophobicContact CB-CZ 4.46Å; I781-F829 HydrophobicContact CG2-CE2 4.3Å; I781-F829 HydrophobicContact CG2-CZ 4.33Å; D782-F829 HydrophobicContact CB-CD2 4.18Å; D782-F829 HydrophobicContact CB-CE2 4.27Å; N826-F829 WeakPolarHBondContact O-CD1 3.49Å; N826-F829 WeakPolarHBondContact O-CE1 3.37Å; K827-F829 PolarHBondContact O-N 3.12Å; K827-F829 VanDerWaalsContact O-N 3.1Å; F829-A833 WeakPolarHBondContact O-CB 3.43Å; F829-A833 PolarHBondContact O-N 3.3Å
830	L	75.2	Confident	70.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-76	-34.2	175.8	-64.3	178.4	0	0	0	111.4	I781 W785 Y819 L820 K827 A828 A833 T834	I781-L830 HydrophobicContact CG2-CD1 4.34Å; I781-L830 HydrophobicContact CG2-CD2 3.77Å; W785-L830 HydrophobicContact CB-CD2 4.02Å; W785-L830 HydrophobicContact CD2-CD2 3.88Å; W785-L830 HydrophobicContact CE3-CD1 4.43Å; W785-L830 HydrophobicContact CE3-CD2 4.06Å; W785-L830 HydrophobicContact CG-CD2 3.85Å; W785-L830 HydrophobicContact CZ3-CD1 4.49Å; Y819-L830 HydrophobicContact CE1-CD1 3.74Å; L820-L830 HydrophobicContact CD2-CB 3.78Å; K827-L830 WeakPolarHBondContact O-CB 3.3Å; K827-L830 PolarHBondContact O-N 2.92Å; A828-L830 VanDerWaalsContact C-N 3.34Å; A828-L830 PolarHBondContact O-N 2.99Å; L830-A833 PolarHBondContact O-N 3.3Å; L830-T834 WeakPolarHBondContact O-CB 3.41Å; L830-T834 PolarHBondContact O-N 3.38Å; L830-T834 PolarHBondContact O-OG1 3.22Å
831	I	74.4	Confident	70.3	Confident	36 Å²	36	46.1 Å²	46.1	19%	0.185	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-50.6	170.4	-66.3	174.9	0	0	0	108.6	L820 K827 A828 A833 T834 I835 V864 L868	L820-I831 HydrophobicContact CD2-CG1 4.26Å; K827-I831 PolarHBondContact O-N 3.14Å; K827-I831 VanDerWaalsContact O-N 3.15Å; A828-I831 WeakPolarHBondContact O-CB 3.36Å; A828-I831 PolarHBondContact O-N 3.41Å; I831-A833 PolarHBondContact O-N 2.89Å; I831-T834 WeakPolarHBondContact O-CB 3.05Å; I831-T834 PolarHBondContact O-N 3.5Å; I831-I835 HydrophobicContact CG2-CD1 3.78Å; I831-I835 WeakPolarHBondContact O-CD1 3.34Å; I831-I835 VanDerWaalsContact O-CG1 3.24Å; I831-I835 WeakPolarHBondContact O-CG1 3.45Å; I831-I835 PolarHBondContact O-N 2.92Å; I831-V864 HydrophobicContact CD1-CG1 4.06Å; I831-L868 HydrophobicContact CD1-CD1 4.18Å; I831-L868 HydrophobicContact CG1-CD1 4.17Å; I831-L868 HydrophobicContact CG2-CD1 4.32Å; I831-L868 HydrophobicContact CG2-CD2 3.84Å; I831-L868 HydrophobicContact CG2-CG 3.86Å
832	D	72.8	Confident	69.8	Low	97 Å²	97	50 Å²	50	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-57.2	-46.8	175.4	-69.2	-25.7	0	0	0	111.9	A828 T834 I835 Q836	A828-D832 PolarHBondContact O-N 3.48Å; D832-T834 PolarHBondContact O-N 2.87Å; D832-I835 WeakPolarHBondContact O-CB 3.49Å; D832-I835 PolarHBondContact O-N 3.46Å; D832-Q836 WeakPolarHBondContact O-CG 3.36Å; D832-Q836 PolarHBondContact O-N 3.43Å
833	A	76	Confident	69.5	Low	10 Å²	10	46.7 Å²	46.7	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-40.3	177.9	0	0	0	0	0	112.3	F829 L830 I831 I835 Q836 W837	F829-A833 WeakPolarHBondContact O-CB 3.43Å; F829-A833 PolarHBondContact O-N 3.3Å; L830-A833 PolarHBondContact O-N 3.3Å; I831-A833 PolarHBondContact O-N 2.89Å; A833-I835 VanDerWaalsContact C-N 3.33Å; A833-I835 PolarHBondContact O-N 2.83Å; A833-Q836 PolarHBondContact O-N 2.89Å; A833-W837 WeakPolarHBondContact O-CB 3.47Å; A833-W837 PolarHBondContact O-N 2.66Å
834	T	77.4	Confident	69.7	Low	4 Å²	4	46.2 Å²	46.2	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-43.6	174.3	-53	0	0	0	0	110.5	W785 L789 L820 L830 I831 D832 W837 M838	W785-T834 PolarHBondContact NE1-OG1 3.2Å; L789-T834 HydrophobicContact CD1-CG2 4.33Å; L820-T834 HydrophobicContact CD1-CG2 4.21Å; L830-T834 WeakPolarHBondContact O-CB 3.41Å; L830-T834 PolarHBondContact O-N 3.38Å; L830-T834 PolarHBondContact O-OG1 3.22Å; I831-T834 WeakPolarHBondContact O-CB 3.05Å; I831-T834 PolarHBondContact O-N 3.5Å; D832-T834 PolarHBondContact O-N 2.87Å; T834-W837 PolarHBondContact O-N 2.88Å; T834-M838 HydrophobicContact CG2-CE 4.02Å; T834-M838 HydrophobicContact CG2-SD 4.42Å; T834-M838 VanDerWaalsContact O-CG 3.29Å; T834-M838 WeakPolarHBondContact O-CG 3.29Å; T834-M838 PolarHBondContact O-N 3.4Å
835	I	72.1	Confident	69.7	Low	12 Å²	12	47.3 Å²	47.3	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-43.4	176.4	-66.2	162	0	0	0	111.1	I831 D832 A833 M838 K839 E871	I831-I835 HydrophobicContact CG2-CD1 3.78Å; I831-I835 WeakPolarHBondContact O-CD1 3.34Å; I831-I835 VanDerWaalsContact O-CG1 3.24Å; I831-I835 WeakPolarHBondContact O-CG1 3.45Å; I831-I835 PolarHBondContact O-N 2.92Å; D832-I835 WeakPolarHBondContact O-CB 3.49Å; D832-I835 PolarHBondContact O-N 3.46Å; A833-I835 VanDerWaalsContact C-N 3.33Å; A833-I835 PolarHBondContact O-N 2.83Å; I835-M838 HydrophobicContact CB-CE 4.38Å; I835-M838 HydrophobicContact CG1-CE 4Å; I835-M838 PolarHBondContact O-N 3.19Å; I835-K839 WeakPolarHBondContact O-CG 3.34Å; I835-K839 PolarHBondContact O-N 3.33Å; I835-E871 HydrophobicContact CB-CB 4.44Å; I835-E871 HydrophobicContact CD1-CB 3.58Å; I835-E871 HydrophobicContact CD1-CG 3.71Å; I835-E871 HydrophobicContact CG1-CB 3.63Å; I835-E871 HydrophobicContact CG1-CG 4.32Å; I835-E871 HydrophobicContact CG2-CB 3.95Å
836	Q	75.4	Confident	70.3	Confident	115 Å²	115	44.6 Å²	44.6	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-40.7	176.3	-64.6	-56.7	-29.8	0	0	112	D832 A833 M838 K839	D832-Q836 WeakPolarHBondContact O-CG 3.36Å; D832-Q836 PolarHBondContact O-N 3.43Å; A833-Q836 PolarHBondContact O-N 2.89Å; Q836-M838 VanDerWaalsContact C-N 3.34Å; Q836-M838 PolarHBondContact O-N 3.41Å; Q836-K839 WeakPolarHBondContact O-CB 3.44Å; Q836-K839 PolarHBondContact O-N 3.29Å
837	W	77.9	Confident	70.5	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-41.3	175	171.9	72.7	0	0	0	112	T786 L789 C793 F813 A833 T834 K839 T840 A843	T786-W837 HydrophobicContact CG2-CB 4.46Å; T786-W837 HydrophobicContact CG2-CG 4.33Å; L789-W837 HydrophobicContact CB-CD2 3.84Å; L789-W837 HydrophobicContact CB-CE3 4.23Å; L789-W837 HydrophobicContact CB-CG 4.36Å; L789-W837 HydrophobicContact CB-CH2 4.19Å; L789-W837 HydrophobicContact CB-CZ2 3.8Å; L789-W837 HydrophobicContact CB-CZ3 4.38Å; L789-W837 HydrophobicContact CD1-CB 4.13Å; L789-W837 HydrophobicContact CD1-CD2 3.55Å; L789-W837 HydrophobicContact CD1-CE3 3.51Å; L789-W837 HydrophobicContact CD1-CG 3.84Å; L789-W837 HydrophobicContact CD1-CZ3 4.15Å; L789-W837 HydrophobicContact CG-CD2 4.34Å; L789-W837 HydrophobicContact CG-CE3 4.42Å; C793-W837 WeakPolarHBondContact SG-CZ2 3.02Å; F813-W837 HydrophobicContact CE1-CH2 4.26Å; F813-W837 HydrophobicContact CE1-CZ3 4.38Å; F813-W837 HydrophobicContact CZ-CH2 4.01Å; A833-W837 WeakPolarHBondContact O-CB 3.47Å; A833-W837 PolarHBondContact O-N 2.66Å; T834-W837 PolarHBondContact O-N 2.88Å; W837-K839 PolarHBondContact O-N 2.9Å; W837-K839 VanDerWaalsContact O-N 3.14Å; W837-T840 VanDerWaalsContact O-CB 3.29Å; W837-T840 WeakPolarHBondContact O-CB 3.36Å; W837-T840 WeakPolarHBondContact O-CG2 3.28Å; W837-T840 PolarHBondContact O-N 2.78Å; W837-T840 PolarHBondContact O-OG1 3.28Å; W837-A843 HydrophobicContact CD2-CB 3.84Å; W837-A843 HydrophobicContact CE3-CB 3.94Å; W837-A843 HydrophobicContact CH2-CB 3.8Å; W837-A843 HydrophobicContact CZ2-CB 3.67Å; W837-A843 HydrophobicContact CZ3-CB 3.93Å; W837-A843 VanDerWaalsContact O-CB 3.25Å; W837-A843 WeakPolarHBondContact O-CB 3.41Å
838	M	70.3	Confident	70.1	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-21.2	177.6	-74	-175	-64.6	0	0	113.9	T834 I835 Q836 T840 L847 V850 C872 A875	T834-M838 HydrophobicContact CG2-CE 4.02Å; T834-M838 HydrophobicContact CG2-SD 4.42Å; T834-M838 VanDerWaalsContact O-CG 3.29Å; T834-M838 WeakPolarHBondContact O-CG 3.29Å; T834-M838 PolarHBondContact O-N 3.4Å; I835-M838 HydrophobicContact CB-CE 4.38Å; I835-M838 HydrophobicContact CG1-CE 4Å; I835-M838 PolarHBondContact O-N 3.19Å; Q836-M838 VanDerWaalsContact C-N 3.34Å; Q836-M838 PolarHBondContact O-N 3.41Å; M838-T840 PolarHBondContact O-N 3.31Å; M838-L847 HydrophobicContact SD-CD1 4.22Å; M838-V850 HydrophobicContact SD-CG1 4.2Å; M838-C872 HydrophobicContact CE-CB 4.26Å; M838-C872 WeakPolarHBondContact CE-SG 3.41Å; M838-C872 HydrophobicContact SD-CB 4.03Å; M838-C872 PolarHBondContact SD-SG 3.13Å; M838-A875 HydrophobicContact CB-CB 3.88Å
839	K	69.5	Low	70	Confident	98 Å²	98	41.7 Å²	41.7	43%	0.426	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10	173.7	-64.9	171	-173.8	171.8	0	113	I835 Q836 W837 A875	I835-K839 WeakPolarHBondContact O-CG 3.34Å; I835-K839 PolarHBondContact O-N 3.33Å; Q836-K839 WeakPolarHBondContact O-CB 3.44Å; Q836-K839 PolarHBondContact O-N 3.29Å; W837-K839 PolarHBondContact O-N 2.9Å; W837-K839 VanDerWaalsContact O-N 3.14Å; K839-A875 HydrophobicContact CG-CB 3.74Å
840	T	71.3	Confident	69.8	Low	53 Å²	53	40.8 Å²	40.8	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-78.2	144.1	177	70.1	0	0	0	0	110.9	W837 M838 P842 A843	W837-T840 VanDerWaalsContact O-CB 3.29Å; W837-T840 WeakPolarHBondContact O-CB 3.36Å; W837-T840 WeakPolarHBondContact O-CG2 3.28Å; W837-T840 PolarHBondContact O-N 2.78Å; W837-T840 PolarHBondContact O-OG1 3.28Å; M838-T840 PolarHBondContact O-N 3.31Å; T840-P842 VanDerWaalsContact C-N 3.31Å; T840-A843 PolarHBondContact O-N 3.26Å; T840-A843 VanDerWaalsContact O-N 3.1Å
841	S	65.8	Low	69.3	Low	108 Å²	108	41.2 Å²	41.2	76%	0.755	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	180	-175.8	0	0	0	0	115	S844	S841-S844 PolarHBondContact O-OG 3Å; S841-S844 VanDerWaalsContact O-OG 3.09Å
842	P	66.4	Low	68.9	Low	88 Å²	88	40.4 Å²	40.4	57%	0.571	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.5	176.5	-22	34.7	0	0	0	113.6	T840 S844 Y846	T840-P842 VanDerWaalsContact C-N 3.31Å; P842-S844 VanDerWaalsContact C-N 3.34Å; P842-S844 PolarHBondContact O-N 2.85Å; P842-Y846 WeakPolarHBondContact O-CD2 3.45Å; P842-Y846 WeakPolarHBondContact O-CE2 3.35Å
843	A	66.7	Low	68.8	Low	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-72.6	-25.8	-173.6	0	0	0	0	0	113.4	W837 T840 A845 Y846 L847	W837-A843 HydrophobicContact CD2-CB 3.84Å; W837-A843 HydrophobicContact CE3-CB 3.94Å; W837-A843 HydrophobicContact CH2-CB 3.8Å; W837-A843 HydrophobicContact CZ2-CB 3.67Å; W837-A843 HydrophobicContact CZ3-CB 3.93Å; W837-A843 VanDerWaalsContact O-CB 3.25Å; W837-A843 WeakPolarHBondContact O-CB 3.41Å; T840-A843 PolarHBondContact O-N 3.26Å; T840-A843 VanDerWaalsContact O-N 3.1Å; A843-A845 PolarHBondContact O-N 2.89Å; A843-A845 VanDerWaalsContact O-N 3.13Å; A843-Y846 PolarHBondContact O-N 3.39Å; A843-L847 PolarHBondContact O-N 3.32Å
844	S	61.9	Low	68.4	Low	51 Å²	51	35.5 Å²	35.5	36%	0.357	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.2	-177.4	64.7	0	0	0	0	113.5	S841 P842 Y846	S841-S844 PolarHBondContact O-OG 3Å; S841-S844 VanDerWaalsContact O-OG 3.09Å; P842-S844 VanDerWaalsContact C-N 3.34Å; P842-S844 PolarHBondContact O-N 2.85Å; S844-Y846 PolarHBondContact O-N 3.25Å
845	A	62.7	Low	67.7	Low	70 Å²	70	36.7 Å²	36.7	58%	0.579	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-69.3	-21.6	177.3	0	0	0	0	0	113.2	A843	A843-A845 PolarHBondContact O-N 2.89Å; A843-A845 VanDerWaalsContact O-N 3.13Å
846	Y	69.3	Low	67.3	Low	16 Å²	16	39.9 Å²	39.9	6%	0.063	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-3.9	-174.9	-54.4	-83.7	0	0	0	113.7	C793 I796 N797 F813 P842 A843 S844 I848 Y849 V850	C793-Y846 HydrophobicContact CB-CD1 4.33Å; C793-Y846 HydrophobicContact CB-CD2 3.93Å; C793-Y846 HydrophobicContact CB-CE1 3.92Å; C793-Y846 HydrophobicContact CB-CE2 3.45Å; C793-Y846 VanDerWaalsContact CB-CE2 3.45Å; C793-Y846 HydrophobicContact CB-CG 4.33Å; C793-Y846 VanDerWaalsContact CB-CZ 3.44Å; C793-Y846 PolarHBondContact O-OH 3.35Å; C793-Y846 VanDerWaalsContact O-OH 3.13Å; C793-Y846 WeakPolarHBondContact SG-CD2 3.48Å; C793-Y846 WeakPolarHBondContact SG-CE2 3.47Å; I796-Y846 HydrophobicContact CB-CD1 4.47Å; I796-Y846 HydrophobicContact CB-CE1 3.99Å; I796-Y846 HydrophobicContact CD1-CD1 3.96Å; I796-Y846 HydrophobicContact CD1-CE1 4.26Å; I796-Y846 HydrophobicContact CG2-CD1 4.26Å; I796-Y846 HydrophobicContact CG2-CE1 3.91Å; N797-Y846 PolarHBondContact ND2-OH 3.41Å; N797-Y846 PolarHBondContact OD1-OH 3.3Å; F813-Y846 HydrophobicContact CE2-CD1 4.31Å; F813-Y846 HydrophobicContact CE2-CG 4.37Å; P842-Y846 WeakPolarHBondContact O-CD2 3.45Å; P842-Y846 WeakPolarHBondContact O-CE2 3.35Å; A843-Y846 PolarHBondContact O-N 3.39Å; S844-Y846 PolarHBondContact O-N 3.25Å; Y846-I848 PolarHBondContact O-N 3.43Å; Y846-I848 VanDerWaalsContact O-N 3.1Å; Y846-Y849 HydrophobicContact CD1-CD2 4.18Å; Y846-Y849 HydrophobicContact CD1-CE2 4.29Å; Y846-Y849 WeakPolarHBondContact O-CB 3.19Å; Y846-Y849 PolarHBondContact O-N 2.89Å; Y846-V850 PolarHBondContact O-N 2.92Å
847	L	64.1	Low	66.9	Low	7 Å²	7	35.6 Å²	35.6	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-33.9	-178.7	-161	110.6	0	0	0	112.6	M838 A843 Y849 V850 L851 C872 Y876	M838-L847 HydrophobicContact SD-CD1 4.22Å; A843-L847 PolarHBondContact O-N 3.32Å; L847-Y849 VanDerWaalsContact C-N 3.27Å; L847-Y849 PolarHBondContact O-N 2.76Å; L847-V850 PolarHBondContact O-N 2.99Å; L847-L851 HydrophobicContact CD2-CD1 3.52Å; L847-L851 HydrophobicContact CD2-CG 4.01Å; L847-L851 HydrophobicContact CG-CD1 4.41Å; L847-L851 HydrophobicContact CG-CG 4.41Å; L847-L851 WeakPolarHBondContact O-CB 3.37Å; L847-L851 WeakPolarHBondContact O-CG 3.42Å; L847-L851 PolarHBondContact O-N 3.1Å; L847-C872 HydrophobicContact CD1-CB 4.18Å; L847-C872 WeakPolarHBondContact CD1-O 3.33Å; L847-C872 HydrophobicContact CG-CB 4.42Å; L847-Y876 HydrophobicContact CB-CD2 4.02Å; L847-Y876 HydrophobicContact CD1-CD2 4.22Å; L847-Y876 HydrophobicContact CD2-CD2 3.65Å; L847-Y876 HydrophobicContact CD2-CE2 4.5Å; L847-Y876 HydrophobicContact CD2-CG 3.78Å; L847-Y876 HydrophobicContact CG-CD2 4.16Å
848	I	60.6	Low	66.3	Low	60 Å²	60	35.6 Å²	35.6	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-34.8	177.1	-164.1	167.1	0	0	0	112.7	Y846 N852 W913 L954	Y846-I848 PolarHBondContact O-N 3.43Å; Y846-I848 VanDerWaalsContact O-N 3.1Å; I848-N852 WeakPolarHBondContact O-CB 3.31Å; I848-N852 VanDerWaalsContact O-CG 3.24Å; I848-N852 PolarHBondContact O-N 3.43Å; I848-N852 PolarHBondContact O-ND2 3.1Å; I848-W913 HydrophobicContact CD1-CZ2 4.07Å; I848-W913 HydrophobicContact CG1-CH2 4.24Å; I848-W913 HydrophobicContact CG1-CZ2 3.61Å; I848-L954 HydrophobicContact CD1-CD2 3.8Å; I848-L954 HydrophobicContact CG1-CD2 4.42Å
849	Y	69.2	Low	65.9	Low	18 Å²	18	40 Å²	40	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-75	-42	178.3	-59.2	-62.2	0	0	0	110.8	I796 H805 I806 K810 F813 Y846 L847 N852 S853	I796-Y849 HydrophobicContact CG2-CE2 4.28Å; H805-Y849 PolarHBondContact CE1-OH 3.27Å; H805-Y849 AromaticContact ND1-CZ 3.95Å; H805-Y849 PolarHBondContact ND1-OH 3.36Å; I806-Y849 HydrophobicContact CG2-CE1 4.46Å; K810-Y849 HydrophobicContact CG-CD1 4.36Å; F813-Y849 VanDerWaalsContact CD2-CB 3.5Å; F813-Y849 HydrophobicContact CD2-CD2 4.45Å; F813-Y849 HydrophobicContact CD2-CG 4.28Å; Y846-Y849 HydrophobicContact CD1-CD2 4.18Å; Y846-Y849 HydrophobicContact CD1-CE2 4.29Å; Y846-Y849 WeakPolarHBondContact O-CB 3.19Å; Y846-Y849 PolarHBondContact O-N 2.89Å; L847-Y849 VanDerWaalsContact C-N 3.27Å; L847-Y849 PolarHBondContact O-N 2.76Å; Y849-N852 PolarHBondContact O-N 3.29Å; Y849-S853 WeakPolarHBondContact O-CB 3.23Å; Y849-S853 PolarHBondContact O-N 3.34Å; Y849-S853 PolarHBondContact O-OG 3.37Å; Y849-S853 VanDerWaalsContact O-OG 3.1Å
850	V	68	Low	65.8	Low	6 Å²	6	38.7 Å²	38.7	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-48.2	174.8	-178.8	0	0	0	0	110.7	F813 V817 M838 Y846 L847 S853 L854	F813-V850 HydrophobicContact CD1-CG2 3.55Å; F813-V850 HydrophobicContact CE1-CG2 3.62Å; F813-V850 HydrophobicContact CG-CG2 4.19Å; F813-V850 HydrophobicContact CZ-CG2 4.3Å; V817-V850 HydrophobicContact CG2-CG1 4.4Å; M838-V850 HydrophobicContact SD-CG1 4.2Å; Y846-V850 PolarHBondContact O-N 2.92Å; L847-V850 PolarHBondContact O-N 2.99Å; V850-S853 PolarHBondContact O-N 3.1Å; V850-L854 HydrophobicContact CG1-CD1 3.87Å; V850-L854 HydrophobicContact CG1-CG 4.35Å; V850-L854 WeakPolarHBondContact O-CB 3.44Å; V850-L854 VanDerWaalsContact O-CG 3.27Å; V850-L854 WeakPolarHBondContact O-CG 3.32Å; V850-L854 PolarHBondContact O-N 2.91Å
851	L	64.3	Low	65.6	Low	8 Å²	8	39.1 Å²	39.1	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-41.2	178.8	-71.5	179.1	0	0	0	112.5	L847 L854 S855 A869 C872 L873 W913	L847-L851 HydrophobicContact CD2-CD1 3.52Å; L847-L851 HydrophobicContact CD2-CG 4.01Å; L847-L851 HydrophobicContact CG-CD1 4.41Å; L847-L851 HydrophobicContact CG-CG 4.41Å; L847-L851 WeakPolarHBondContact O-CB 3.37Å; L847-L851 WeakPolarHBondContact O-CG 3.42Å; L847-L851 PolarHBondContact O-N 3.1Å; L851-L854 HydrophobicContact CD2-CD1 4.5Å; L851-L854 PolarHBondContact O-N 3.07Å; L851-S855 WeakPolarHBondContact O-CB 3.25Å; L851-S855 PolarHBondContact O-N 2.88Å; L851-A869 HydrophobicContact CD2-CB 4.18Å; L851-C872 HydrophobicContact CD2-CB 3.73Å; L851-C872 HydrophobicContact CG-CB 4.44Å; L851-L873 HydrophobicContact CD1-CD2 3.84Å; L851-L873 HydrophobicContact CD2-CG 4.33Å; L851-W913 HydrophobicContact CB-CE3 4.14Å; L851-W913 HydrophobicContact CB-CH2 4.15Å; L851-W913 HydrophobicContact CB-CZ3 3.56Å; L851-W913 HydrophobicContact CD1-CD2 4.25Å; L851-W913 HydrophobicContact CD1-CE3 3.67Å; L851-W913 HydrophobicContact CD1-CZ3 3.97Å; L851-W913 HydrophobicContact CG-CZ3 4.42Å
852	N	65.4	Low	65.6	Low	20 Å²	20	35.8 Å²	35.8	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-47.4	173.7	-81.4	-42.1	0	0	0	111.3	I848 Y849 L854 S855 E856 W913	I848-N852 WeakPolarHBondContact O-CB 3.31Å; I848-N852 VanDerWaalsContact O-CG 3.24Å; I848-N852 PolarHBondContact O-N 3.43Å; I848-N852 PolarHBondContact O-ND2 3.1Å; Y849-N852 PolarHBondContact O-N 3.29Å; N852-L854 PolarHBondContact O-N 2.66Å; N852-S855 WeakPolarHBondContact O-CA 3.47Å; N852-S855 WeakPolarHBondContact O-CB 3.34Å; N852-S855 PolarHBondContact O-N 3.41Å; N852-S855 VanDerWaalsContact O-N 3.15Å; N852-E856 PolarHBondContact O-N 3.12Å; N852-W913 WeakPolarHBondContact OD1-CH2 3.08Å
853	S	71.7	Confident	65.5	Low	1 Å²	1	37.5 Å²	37.5	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-36.8	179.2	-63.6	0	0	0	0	112.6	N814 Y849 V850 S855 E856 N857	N814-S853 WeakPolarHBondContact CA-OG 3.45Å; N814-S853 PolarHBondContact N-OG 3.08Å; N814-S853 VanDerWaalsContact N-OG 3.12Å; Y849-S853 WeakPolarHBondContact O-CB 3.23Å; Y849-S853 PolarHBondContact O-N 3.34Å; Y849-S853 PolarHBondContact O-OG 3.37Å; Y849-S853 VanDerWaalsContact O-OG 3.1Å; V850-S853 PolarHBondContact O-N 3.1Å; S853-S855 VanDerWaalsContact C-N 3.32Å; S853-E856 PolarHBondContact O-N 2.95Å; S853-N857 PolarHBondContact O-N 3.46Å; S853-N857 PolarHBondContact O-ND2 3.36Å
854	L	67.2	Low	65.7	Low	3 Å²	3	39.8 Å²	39.8	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-43.6	171.2	-72.9	167.2	0	0	0	110.5	V817 V850 L851 N852 E856 N857 L858 C865 L868 A869	V817-L854 HydrophobicContact CG1-CD2 3.64Å; V817-L854 HydrophobicContact CG1-CG 4.05Å; V817-L854 HydrophobicContact CG2-CD2 4.41Å; V817-L854 HydrophobicContact CG2-CG 4.26Å; V850-L854 HydrophobicContact CG1-CD1 3.87Å; V850-L854 HydrophobicContact CG1-CG 4.35Å; V850-L854 WeakPolarHBondContact O-CB 3.44Å; V850-L854 VanDerWaalsContact O-CG 3.27Å; V850-L854 WeakPolarHBondContact O-CG 3.32Å; V850-L854 PolarHBondContact O-N 2.91Å; L851-L854 HydrophobicContact CD2-CD1 4.5Å; L851-L854 PolarHBondContact O-N 3.07Å; N852-L854 PolarHBondContact O-N 2.66Å; L854-E856 VanDerWaalsContact C-N 3.3Å; L854-E856 PolarHBondContact O-N 3.36Å; L854-N857 PolarHBondContact O-N 2.82Å; L854-N857 VanDerWaalsContact O-N 3.11Å; L854-L858 VanDerWaalsContact O-CD1 3.28Å; L854-L858 WeakPolarHBondContact O-CD1 3.37Å; L854-L858 PolarHBondContact O-N 2.68Å; L854-L858 VanDerWaalsContact O-N 3.11Å; L854-C865 HydrophobicContact CD2-CB 4.4Å; L854-L868 HydrophobicContact CD1-CB 3.98Å; L854-L868 HydrophobicContact CD2-CB 3.72Å; L854-L868 HydrophobicContact CD2-CD1 4.14Å; L854-L868 HydrophobicContact CD2-CG 4.47Å; L854-A869 HydrophobicContact CD1-CB 4.18Å
855	S	61.8	Low	66	Low	29 Å²	29	37.3 Å²	37.3	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-53.1	-45.7	175.5	-166.5	0	0	0	0	112.5	L851 N852 S853 N857 L858 Y916	L851-S855 WeakPolarHBondContact O-CB 3.25Å; L851-S855 PolarHBondContact O-N 2.88Å; N852-S855 WeakPolarHBondContact O-CA 3.47Å; N852-S855 WeakPolarHBondContact O-CB 3.34Å; N852-S855 PolarHBondContact O-N 3.41Å; N852-S855 VanDerWaalsContact O-N 3.15Å; S853-S855 VanDerWaalsContact C-N 3.32Å; S855-N857 VanDerWaalsContact C-N 3.34Å; S855-L858 WeakPolarHBondContact O-CD1 3.45Å; S855-Y916 PolarHBondContact OG-OH 3.48Å
856	E	64.6	Low	66.1	Low	79 Å²	79	35.2 Å²	35.2	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-69	-30.3	-179.9	-71.1	176.4	-172.7	0	0	112.7	N814 N852 S853 L854 Y1067	N814-E856 PolarHBondContact ND2-OE2 3.49Å; N852-E856 PolarHBondContact O-N 3.12Å; S853-E856 PolarHBondContact O-N 2.95Å; L854-E856 VanDerWaalsContact C-N 3.3Å; L854-E856 PolarHBondContact O-N 3.36Å; E856-Y1067 PolarHBondContact OE1-OH 3.42Å
857	N	67.4	Low	66	Low	24 Å²	24	37.8 Å²	37.8	13%	0.128	22%	0.219	C	C	.	.	H	α-helix	trans	-93.7	-3	-177.4	-72.8	-86.3	0	0	0	114.1	N814 V817 S818 V821 S853 L854 S855 S859 S860 K861	N814-N857 PolarHBondContact OD1-ND2 3.43Å; V817-N857 HydrophobicContact CG1-CB 4.33Å; S818-N857 PolarHBondContact OG-OD1 3.5Å; S818-N857 VanDerWaalsContact OG-OD1 3.06Å; V821-N857 HydrophobicContact CG2-CB 4.48Å; S853-N857 PolarHBondContact O-N 3.46Å; S853-N857 PolarHBondContact O-ND2 3.36Å; L854-N857 PolarHBondContact O-N 2.82Å; L854-N857 VanDerWaalsContact O-N 3.11Å; S855-N857 VanDerWaalsContact C-N 3.34Å; N857-S859 VanDerWaalsContact C-N 3.3Å; N857-S859 PolarHBondContact O-N 3.11Å; N857-S860 PolarHBondContact O-N 3.47Å; N857-S860 VanDerWaalsContact O-N 3.11Å; N857-S860 PolarHBondContact O-OG 3.06Å; N857-K861 PolarHBondContact O-N 3.3Å
858	L	64.6	Low	66.3	Low	5 Å²	5	37.6 Å²	37.6	3%	0.026	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.4	-177.9	-93.1	115.8	0	0	0	114	L854 S855 S860 K861 P862 C865 L866 L920 Y924	L854-L858 VanDerWaalsContact O-CD1 3.28Å; L854-L858 WeakPolarHBondContact O-CD1 3.37Å; L854-L858 PolarHBondContact O-N 2.68Å; L854-L858 VanDerWaalsContact O-N 3.11Å; S855-L858 WeakPolarHBondContact O-CD1 3.45Å; L858-S860 PolarHBondContact O-N 3.33Å; L858-S860 VanDerWaalsContact O-N 3.14Å; L858-K861 CarbonylContact O-C 3.47Å; L858-K861 PolarHBondContact O-N 3.46Å; L858-P862 WeakPolarHBondContact O-CA 3.29Å; L858-P862 WeakPolarHBondContact O-CD 3.28Å; L858-P862 VanDerWaalsContact O-N 3.15Å; L858-C865 HydrophobicContact CG-CB 3.84Å; L858-L866 HydrophobicContact CD2-CD1 4.46Å; L858-L866 HydrophobicContact CD2-CD2 3.52Å; L858-L866 HydrophobicContact CD2-CG 3.75Å; L858-L920 HydrophobicContact CD1-CD2 3.26Å; L858-L920 HydrophobicContact CD1-CG 4.06Å; L858-L920 HydrophobicContact CD2-CD2 3.98Å; L858-L920 HydrophobicContact CD2-CG 4.07Å; L858-L920 HydrophobicContact CG-CD2 4.26Å; L858-Y924 HydrophobicContact CB-CD2 4.47Å; L858-Y924 HydrophobicContact CB-CE2 4.45Å; L858-Y924 HydrophobicContact CD2-CD2 3.91Å
859	S	62.6	Low	66.6	Low	95 Å²	95	35.2 Å²	35.2	66%	0.664	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.8	-178.4	58.1	0	0	0	0	112.5	N857	N857-S859 VanDerWaalsContact C-N 3.3Å; N857-S859 PolarHBondContact O-N 3.11Å
860	S	66.2	Low	66.4	Low	71 Å²	71	37.5 Å²	37.5	50%	0.497	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-39.3	-179.3	73.6	0	0	0	0	113	N857 L858	N857-S860 PolarHBondContact O-N 3.47Å; N857-S860 VanDerWaalsContact O-N 3.11Å; N857-S860 PolarHBondContact O-OG 3.06Å; L858-S860 PolarHBondContact O-N 3.33Å; L858-S860 VanDerWaalsContact O-N 3.14Å
861	K	67.7	Low	66.5	Low	62 Å²	62	39.8 Å²	39.8	27%	0.27	23%	0.229	S	C	.	.			trans	-152	79.7	-175.7	-60.4	-162.6	-163.7	-173	0	111.9	V821 N857 L858 D863 V864 C865	V821-K861 HydrophobicContact CG1-CB 3.62Å; V821-K861 HydrophobicContact CG1-CD 3.58Å; V821-K861 HydrophobicContact CG1-CG 3.68Å; V821-K861 WeakPolarHBondContact O-CD 3.4Å; V821-K861 WeakPolarHBondContact O-CE 3.42Å; V821-K861 PolarHBondContact O-NZ 3.06Å; N857-K861 PolarHBondContact O-N 3.3Å; L858-K861 CarbonylContact O-C 3.47Å; L858-K861 PolarHBondContact O-N 3.46Å; K861-D863 PolarHBondContact O-N 3.43Å; K861-V864 HydrophobicContact CB-CB 4.38Å; K861-V864 PolarHBondContact O-N 2.92Å; K861-C865 WeakPolarHBondContact O-CB 3.47Å; K861-C865 PolarHBondContact O-N 3.29Å; K861-C865 VanDerWaalsContact O-N 3.13Å; K861-C865 PolarHBondContact O-SG 2.68Å; K861-C865 VanDerWaalsContact O-SG 3.35Å
862	P	64.9	Low	66.5	Low	39 Å²	39	39.4 Å²	39.4	25%	0.253	23%	0.227	S	C	.	.	H	α-helix	trans	-58.9	-46.7	-173.2	22.3	-32.5	0	0	0	111.7	L858 V864 C865 L866	L858-P862 WeakPolarHBondContact O-CA 3.29Å; L858-P862 WeakPolarHBondContact O-CD 3.28Å; L858-P862 VanDerWaalsContact O-N 3.15Å; P862-V864 PolarHBondContact O-N 3.42Å; P862-C865 PolarHBondContact O-N 2.94Å; P862-L866 HydrophobicContact CB-CD1 4.43Å; P862-L866 VanDerWaalsContact O-CB 3.23Å; P862-L866 WeakPolarHBondContact O-CB 3.24Å; P862-L866 WeakPolarHBondContact O-CG 3.46Å; P862-L866 PolarHBondContact O-N 2.92Å
863	D	65.8	Low	66.3	Low	123 Å²	123	38.5 Å²	38.5	66%	0.658	22%	0.222	S	C	*	.	H	α-helix	trans	-57.3	-46.9	-176.3	-58.7	-23	0	0	0	113.7	K861 S867	K861-D863 PolarHBondContact O-N 3.43Å; D863-S867 VanDerWaalsContact O-CB 3.32Å; D863-S867 WeakPolarHBondContact O-CB 3.43Å; D863-S867 PolarHBondContact O-N 2.82Å; D863-S867 PolarHBondContact O-OG 2.73Å
864	V	69.9	Low	65.9	Low	48 Å²	48	42.5 Å²	42.5	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-71.2	-45.9	-177.4	176.8	0	0	0	0	110.1	V821 I831 K861 P862 S867 L868	V821-V864 HydrophobicContact CG2-CG1 4.49Å; I831-V864 HydrophobicContact CD1-CG1 4.06Å; K861-V864 HydrophobicContact CB-CB 4.38Å; K861-V864 PolarHBondContact O-N 2.92Å; P862-V864 PolarHBondContact O-N 3.42Å; V864-S867 PolarHBondContact O-N 2.74Å; V864-L868 HydrophobicContact CG1-CD1 3.78Å; V864-L868 WeakPolarHBondContact O-CB 3.47Å; V864-L868 PolarHBondContact O-N 3.44Å
865	C	67.7	Low	65.7	Low	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-40.8	-179.7	-68.6	0	0	0	0	111.9	V821 L854 L858 K861 P862 A869	V821-C865 VanDerWaalsContact CG2-SG 3.56Å; L854-C865 HydrophobicContact CD2-CB 4.4Å; L858-C865 HydrophobicContact CG-CB 3.84Å; K861-C865 WeakPolarHBondContact O-CB 3.47Å; K861-C865 PolarHBondContact O-N 3.29Å; K861-C865 VanDerWaalsContact O-N 3.13Å; K861-C865 PolarHBondContact O-SG 2.68Å; K861-C865 VanDerWaalsContact O-SG 3.35Å; P862-C865 PolarHBondContact O-N 2.94Å; C865-A869 VanDerWaalsContact O-CB 3.23Å; C865-A869 WeakPolarHBondContact O-CB 3.44Å; C865-A869 PolarHBondContact O-N 3.15Å
866	L	65.5	Low	65.4	Low	26 Å²	26	45.7 Å²	45.7	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-45	176.8	-71	172.9	0	0	0	111.7	L858 P862 L868 A869 E870	L858-L866 HydrophobicContact CD2-CD1 4.46Å; L858-L866 HydrophobicContact CD2-CD2 3.52Å; L858-L866 HydrophobicContact CD2-CG 3.75Å; P862-L866 HydrophobicContact CB-CD1 4.43Å; P862-L866 VanDerWaalsContact O-CB 3.23Å; P862-L866 WeakPolarHBondContact O-CB 3.24Å; P862-L866 WeakPolarHBondContact O-CG 3.46Å; P862-L866 PolarHBondContact O-N 2.92Å; L866-L868 PolarHBondContact O-N 3.41Å; L866-A869 PolarHBondContact O-N 3.09Å; L866-E870 WeakPolarHBondContact O-CB 2.92Å; L866-E870 PolarHBondContact O-N 3.1Å
867	S	67.8	Low	65	Low	70 Å²	70	42.4 Å²	42.4	49%	0.49	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-44.5	176.3	-59.5	0	0	0	0	111.9	D863 V864 E870 E871	D863-S867 VanDerWaalsContact O-CB 3.32Å; D863-S867 WeakPolarHBondContact O-CB 3.43Å; D863-S867 PolarHBondContact O-N 2.82Å; D863-S867 PolarHBondContact O-OG 2.73Å; V864-S867 PolarHBondContact O-N 2.74Å; S867-E870 PolarHBondContact O-N 2.98Å; S867-E871 WeakPolarHBondContact O-CG 3.46Å; S867-E871 PolarHBondContact O-N 3.29Å; S867-E871 VanDerWaalsContact O-N 3.07Å
868	L	70	Confident	64.5	Low	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-45.7	175.1	-92.8	148.3	0	0	0	111.7	I831 L854 V864 L866 E870 E871 C872	I831-L868 HydrophobicContact CD1-CD1 4.18Å; I831-L868 HydrophobicContact CG1-CD1 4.17Å; I831-L868 HydrophobicContact CG2-CD1 4.32Å; I831-L868 HydrophobicContact CG2-CD2 3.84Å; I831-L868 HydrophobicContact CG2-CG 3.86Å; L854-L868 HydrophobicContact CD1-CB 3.98Å; L854-L868 HydrophobicContact CD2-CB 3.72Å; L854-L868 HydrophobicContact CD2-CD1 4.14Å; L854-L868 HydrophobicContact CD2-CG 4.47Å; V864-L868 HydrophobicContact CG1-CD1 3.78Å; V864-L868 WeakPolarHBondContact O-CB 3.47Å; V864-L868 PolarHBondContact O-N 3.44Å; L866-L868 PolarHBondContact O-N 3.41Å; L868-E870 VanDerWaalsContact C-N 3.28Å; L868-E870 PolarHBondContact O-N 2.89Å; L868-E871 PolarHBondContact O-N 2.93Å; L868-C872 WeakPolarHBondContact O-CB 3.49Å; L868-C872 PolarHBondContact O-N 2.73Å; L868-C872 PolarHBondContact O-SG 3.26Å
869	A	67.1	Low	63.7	Low	10 Å²	10	51.8 Å²	51.8	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-39.7	178.3	0	0	0	0	0	111.2	L851 L854 C865 L866 C872 L873	L851-A869 HydrophobicContact CD2-CB 4.18Å; L854-A869 HydrophobicContact CD1-CB 4.18Å; C865-A869 VanDerWaalsContact O-CB 3.23Å; C865-A869 WeakPolarHBondContact O-CB 3.44Å; C865-A869 PolarHBondContact O-N 3.15Å; L866-A869 PolarHBondContact O-N 3.09Å; A869-C872 WeakPolarHBondContact O-CB 3.3Å; A869-C872 PolarHBondContact O-N 2.85Å; A869-L873 WeakPolarHBondContact O-CD1 3.21Å; A869-L873 VanDerWaalsContact O-CG 3.25Å; A869-L873 WeakPolarHBondContact O-CG 3.49Å; A869-L873 PolarHBondContact O-N 2.82Å
870	E	65.3	Low	62.8	Low	67 Å²	67	52.4 Å²	52.4	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-51.5	174.2	158.1	163.7	-164	0	0	111.4	L866 S867 L868 L873 K874 W885	L866-E870 WeakPolarHBondContact O-CB 2.92Å; L866-E870 PolarHBondContact O-N 3.1Å; S867-E870 PolarHBondContact O-N 2.98Å; L868-E870 VanDerWaalsContact C-N 3.28Å; L868-E870 PolarHBondContact O-N 2.89Å; E870-L873 PolarHBondContact O-N 3.39Å; E870-K874 HydrophobicContact CG-CD 4.25Å; E870-K874 WeakPolarHBondContact O-CG 3.41Å; E870-K874 PolarHBondContact O-N 3.16Å; E870-K874 WeakPolarHBondContact OE1-CE 3.43Å; E870-K874 IonicContact OE1-NZ 2.78Å; E870-K874 PolarHBondContact OE1-NZ 2.92Å; E870-W885 HydrophobicContact CB-CZ2 4.15Å; E870-W885 HydrophobicContact CG-CZ2 4.12Å; E870-W885 VanDerWaalsContact OE1-CD1 3.26Å; E870-W885 PolarHBondContact OE1-NE1 3.06Å; E870-W885 VanDerWaalsContact OE1-NE1 3.08Å
871	E	68.3	Low	61.8	Low	53 Å²	53	50.4 Å²	50.4	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-32.3	180	-68.8	-65.1	135.8	0	0	112.6	I835 S867 L868 K874 A875	I835-E871 HydrophobicContact CB-CB 4.44Å; I835-E871 HydrophobicContact CD1-CB 3.58Å; I835-E871 HydrophobicContact CD1-CG 3.71Å; I835-E871 HydrophobicContact CG1-CB 3.63Å; I835-E871 HydrophobicContact CG1-CG 4.32Å; I835-E871 HydrophobicContact CG2-CB 3.95Å; S867-E871 WeakPolarHBondContact O-CG 3.46Å; S867-E871 PolarHBondContact O-N 3.29Å; S867-E871 VanDerWaalsContact O-N 3.07Å; L868-E871 PolarHBondContact O-N 2.93Å; E871-K874 PolarHBondContact O-N 2.87Å; E871-K874 WeakPolarHBondContact OE1-CD 3.42Å; E871-K874 IonicContact OE1-NZ 2.6Å; E871-K874 PolarHBondContact OE1-NZ 3.27Å; E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.38Å; E871-A875 PolarHBondContact O-N 3.29Å
872	C	65.5	Low	60.7	Low	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-50.8	170.4	-69.6	0	0	0	0	110.1	M838 L847 L851 L868 A869 A875 Y876	M838-C872 HydrophobicContact CE-CB 4.26Å; M838-C872 WeakPolarHBondContact CE-SG 3.41Å; M838-C872 HydrophobicContact SD-CB 4.03Å; M838-C872 PolarHBondContact SD-SG 3.13Å; L847-C872 HydrophobicContact CD1-CB 4.18Å; L847-C872 WeakPolarHBondContact CD1-O 3.33Å; L847-C872 HydrophobicContact CG-CB 4.42Å; L851-C872 HydrophobicContact CD2-CB 3.73Å; L851-C872 HydrophobicContact CG-CB 4.44Å; L868-C872 WeakPolarHBondContact O-CB 3.49Å; L868-C872 PolarHBondContact O-N 2.73Å; L868-C872 PolarHBondContact O-SG 3.26Å; A869-C872 WeakPolarHBondContact O-CB 3.3Å; A869-C872 PolarHBondContact O-N 2.85Å; C872-A875 PolarHBondContact O-N 2.86Å; C872-Y876 WeakPolarHBondContact O-CB 3.46Å; C872-Y876 PolarHBondContact O-N 3.43Å
873	L	61.6	Low	59.7	Low	2 Å²	2	53.9 Å²	53.9	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-45.9	-179.6	-66.5	164	0	0	0	110.2	L851 A869 E870 A875 Y876 F877 W885 V914	L851-L873 HydrophobicContact CD1-CD2 3.84Å; L851-L873 HydrophobicContact CD2-CG 4.33Å; A869-L873 WeakPolarHBondContact O-CD1 3.21Å; A869-L873 VanDerWaalsContact O-CG 3.25Å; A869-L873 WeakPolarHBondContact O-CG 3.49Å; A869-L873 PolarHBondContact O-N 2.82Å; E870-L873 PolarHBondContact O-N 3.39Å; L873-A875 VanDerWaalsContact C-N 3.27Å; L873-A875 PolarHBondContact O-N 2.87Å; L873-Y876 WeakPolarHBondContact O-CB 3.43Å; L873-Y876 PolarHBondContact O-N 2.8Å; L873-Y876 VanDerWaalsContact O-N 3.16Å; L873-F877 HydrophobicContact CB-CD2 4.19Å; L873-F877 HydrophobicContact CB-CE2 4.12Å; L873-F877 HydrophobicContact CD2-CE2 3.99Å; L873-F877 WeakPolarHBondContact O-CB 3.27Å; L873-F877 WeakPolarHBondContact O-CD2 3.39Å; L873-F877 WeakPolarHBondContact O-CG 3.45Å; L873-F877 PolarHBondContact O-N 3.39Å; L873-W885 HydrophobicContact CB-CH2 3.47Å; L873-W885 VanDerWaalsContact CB-CH2 3.47Å; L873-W885 HydrophobicContact CB-CZ2 3.89Å; L873-W885 HydrophobicContact CD1-CH2 3.45Å; L873-W885 VanDerWaalsContact CD1-CH2 3.45Å; L873-W885 HydrophobicContact CD1-CZ2 3.92Å; L873-W885 HydrophobicContact CD1-CZ3 4.45Å; L873-W885 HydrophobicContact CG-CH2 4.07Å; L873-V914 HydrophobicContact CD2-CG2 4.25Å
874	K	63.4	Low	58.9	Low	85 Å²	85	50.6 Å²	50.6	37%	0.37	29%	0.293	S	S	.	.	H	α-helix	trans	-54.5	-42.3	173.8	-74.1	176.2	-172.2	162.9	0	112.3	E870 E871 F877 A878	E870-K874 HydrophobicContact CG-CD 4.25Å; E870-K874 WeakPolarHBondContact O-CG 3.41Å; E870-K874 PolarHBondContact O-N 3.16Å; E870-K874 WeakPolarHBondContact OE1-CE 3.43Å; E870-K874 IonicContact OE1-NZ 2.78Å; E870-K874 PolarHBondContact OE1-NZ 2.92Å; E871-K874 PolarHBondContact O-N 2.87Å; E871-K874 WeakPolarHBondContact OE1-CD 3.42Å; E871-K874 IonicContact OE1-NZ 2.6Å; E871-K874 PolarHBondContact OE1-NZ 3.27Å; K874-F877 CarbonylContact O-C 3.35Å; K874-F877 PolarHBondContact O-N 3.25Å; K874-A878 VanDerWaalsContact O-CA 3.28Å; K874-A878 WeakPolarHBondContact O-CA 3.38Å; K874-A878 WeakPolarHBondContact O-CB 3.47Å; K874-A878 PolarHBondContact O-N 3.03Å
875	A	61.2	Low	57.8	Low	8 Å²	8	51.2 Å²	51.2	7%	0.066	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-45.7	177.5	0	0	0	0	0	112	M838 K839 E871 C872 L873 F877 A878	M838-A875 HydrophobicContact CB-CB 3.88Å; K839-A875 HydrophobicContact CG-CB 3.74Å; E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.38Å; E871-A875 PolarHBondContact O-N 3.29Å; C872-A875 PolarHBondContact O-N 2.86Å; L873-A875 VanDerWaalsContact C-N 3.27Å; L873-A875 PolarHBondContact O-N 2.87Å; A875-F877 PolarHBondContact O-N 3.29Å; A875-A878 VanDerWaalsContact O-CB 3.29Å; A875-A878 WeakPolarHBondContact O-CB 3.17Å; A875-A878 PolarHBondContact O-N 2.98Å; A875-A878 VanDerWaalsContact O-N 3.13Å
876	Y	56.5	Low	56.9	Low	90 Å²	90	55.2 Å²	55.2	35%	0.353	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-37.5	175.5	-170.4	-93.8	0	0	0	112.3	L847 C872 L873 C910	L847-Y876 HydrophobicContact CB-CD2 4.02Å; L847-Y876 HydrophobicContact CD1-CD2 4.22Å; L847-Y876 HydrophobicContact CD2-CD2 3.65Å; L847-Y876 HydrophobicContact CD2-CE2 4.5Å; L847-Y876 HydrophobicContact CD2-CG 3.78Å; L847-Y876 HydrophobicContact CG-CD2 4.16Å; C872-Y876 WeakPolarHBondContact O-CB 3.46Å; C872-Y876 PolarHBondContact O-N 3.43Å; L873-Y876 WeakPolarHBondContact O-CB 3.43Å; L873-Y876 PolarHBondContact O-N 2.8Å; L873-Y876 VanDerWaalsContact O-N 3.16Å; Y876-C910 HydrophobicContact CE1-CB 4.45Å; Y876-C910 WeakPolarHBondContact CE1-SG 3.42Å
877	F	57.1	Low	56.1	Low	11 Å²	11	57.2 Å²	57.2	5%	0.048	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.7	178.3	-63.3	-62.8	0	0	0	114.1	L873 K874 A875 N879 L880 I881 C910 V914	L873-F877 HydrophobicContact CB-CD2 4.19Å; L873-F877 HydrophobicContact CB-CE2 4.12Å; L873-F877 HydrophobicContact CD2-CE2 3.99Å; L873-F877 WeakPolarHBondContact O-CB 3.27Å; L873-F877 WeakPolarHBondContact O-CD2 3.39Å; L873-F877 WeakPolarHBondContact O-CG 3.45Å; L873-F877 PolarHBondContact O-N 3.39Å; K874-F877 CarbonylContact O-C 3.35Å; K874-F877 PolarHBondContact O-N 3.25Å; A875-F877 PolarHBondContact O-N 3.29Å; F877-N879 PolarHBondContact O-N 2.94Å; F877-L880 HydrophobicContact CD1-CB 4.42Å; F877-L880 HydrophobicContact CD1-CD1 4.47Å; F877-L880 CarbonylContact O-C 3.58Å; F877-L880 WeakPolarHBondContact O-CA 3.34Å; F877-L880 PolarHBondContact O-N 2.66Å; F877-I881 HydrophobicContact CB-CB 4Å; F877-I881 HydrophobicContact CB-CD1 3.66Å; F877-I881 HydrophobicContact CB-CG1 3.77Å; F877-I881 HydrophobicContact CD1-CD1 3.51Å; F877-I881 HydrophobicContact CD1-CG1 4.15Å; F877-I881 HydrophobicContact CD2-CD1 3.93Å; F877-I881 HydrophobicContact CE1-CD1 4.11Å; F877-I881 HydrophobicContact CG-CD1 3.42Å; F877-I881 VanDerWaalsContact CG-CD1 3.42Å; F877-I881 HydrophobicContact CG-CG1 4.07Å; F877-I881 PolarHBondContact O-N 3.42Å; F877-C910 HydrophobicContact CE1-CB 3.61Å; F877-C910 HydrophobicContact CZ-CB 3.66Å; F877-V914 HydrophobicContact CD2-CG2 4.16Å; F877-V914 HydrophobicContact CE2-CG2 3.17Å; F877-V914 HydrophobicContact CZ-CG2 3.49Å; F877-V914 VanDerWaalsContact CZ-CG2 3.49Å
878	A	56.1	Low	55.1	Low	59 Å²	59	54.5 Å²	54.5	49%	0.488	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.4	-172.7	0	0	0	0	0	113.1	K874 A875	K874-A878 VanDerWaalsContact O-CA 3.28Å; K874-A878 WeakPolarHBondContact O-CA 3.38Å; K874-A878 WeakPolarHBondContact O-CB 3.47Å; K874-A878 PolarHBondContact O-N 3.03Å; A875-A878 VanDerWaalsContact O-CB 3.29Å; A875-A878 WeakPolarHBondContact O-CB 3.17Å; A875-A878 PolarHBondContact O-N 2.98Å; A875-A878 VanDerWaalsContact O-N 3.13Å
879	N	47.6	Very low	54	Low	166 Å²	166	57.8 Å²	57.8	89%	0.888	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-1.9	172.8	-66.4	-28.2	0	0	0	114.9	F877	F877-N879 PolarHBondContact O-N 2.94Å
880	L	44.4	Very low	53	Low	108 Å²	108	60.2 Å²	60.2	57%	0.565	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-25	-172.9	-80.3	160.6	0	0	0	113.7	F877	F877-L880 HydrophobicContact CD1-CB 4.42Å; F877-L880 HydrophobicContact CD1-CD1 4.47Å; F877-L880 CarbonylContact O-C 3.58Å; F877-L880 WeakPolarHBondContact O-CA 3.34Å; F877-L880 PolarHBondContact O-N 2.66Å
881	I	45.3	Very low	52	Low	30 Å²	30	62.7 Å²	62.7	15%	0.154	37%	0.365	C	S	.	.			trans	-143.5	100.7	-170.3	-43	174.3	0	0	0	110.4	F877 A883 V888 F892	F877-I881 HydrophobicContact CB-CB 4Å; F877-I881 HydrophobicContact CB-CD1 3.66Å; F877-I881 HydrophobicContact CB-CG1 3.77Å; F877-I881 HydrophobicContact CD1-CD1 3.51Å; F877-I881 HydrophobicContact CD1-CG1 4.15Å; F877-I881 HydrophobicContact CD2-CD1 3.93Å; F877-I881 HydrophobicContact CE1-CD1 4.11Å; F877-I881 HydrophobicContact CG-CD1 3.42Å; F877-I881 VanDerWaalsContact CG-CD1 3.42Å; F877-I881 HydrophobicContact CG-CG1 4.07Å; F877-I881 PolarHBondContact O-N 3.42Å; I881-A883 VanDerWaalsContact C-N 3.26Å; I881-A883 HydrophobicContact CG2-CB 4.33Å; I881-A883 PolarHBondContact O-N 2.88Å; I881-V888 HydrophobicContact CB-CG2 4.42Å; I881-V888 HydrophobicContact CD1-CG1 3.75Å; I881-V888 HydrophobicContact CD1-CG2 4.41Å; I881-V888 HydrophobicContact CG2-CB 4.19Å; I881-V888 HydrophobicContact CG2-CG1 4.36Å; I881-V888 HydrophobicContact CG2-CG2 3.28Å; I881-F892 HydrophobicContact CD1-CE2 3.82Å; I881-F892 HydrophobicContact CD1-CZ 4.38Å; I881-F892 HydrophobicContact CG1-CE2 4.18Å
882	S	44	Very low	50.9	Low	135 Å²	135	64.2 Å²	64.2	94%	0.944	37%	0.371	S	S	*	.			trans	-89.5	17.1	176.8	66.9	0	0	0	0	113.1
883	A	42.7	Very low	49.6	Very low	38 Å²	38	68.3 Å²	68.3	31%	0.314	40%	0.4	S	S	.	.	S	Bend	trans	-127.4	156.9	-160.4	0	0	0	0	0	111.9	I881 D887	I881-A883 VanDerWaalsContact C-N 3.26Å; I881-A883 HydrophobicContact CG2-CB 4.33Å; I881-A883 PolarHBondContact O-N 2.88Å; A883-D887 HydrophobicContact CB-CB 3.31Å
884	S	49.2	Very low	48.6	Very low	54 Å²	54	74.4 Å²	74.4	38%	0.378	43%	0.432	S	S	.	.			trans	-58.7	160.3	-178.4	66.6	0	0	0	0	112.3	S886 D887 V888	S884-S886 PolarHBondContact O-N 3.26Å; S884-S886 VanDerWaalsContact O-N 3.17Å; S884-S886 PolarHBondContact OG-OG 2.82Å; S884-D887 WeakPolarHBondContact CB-OD2 3.42Å; S884-D887 PolarHBondContact N-OD2 2.85Å; S884-D887 CarbonylContact O-C 3.51Å; S884-D887 WeakPolarHBondContact O-CA 3.34Å; S884-D887 WeakPolarHBondContact O-CB 3.25Å; S884-D887 PolarHBondContact O-N 2.84Å; S884-D887 PolarHBondContact OG-N 3.46Å; S884-D887 PolarHBondContact OG-OD2 3.43Å; S884-V888 VanDerWaalsContact O-CG2 3.26Å; S884-V888 WeakPolarHBondContact O-CG2 3.16Å; S884-V888 PolarHBondContact O-N 2.9Å
885	W	48.2	Very low	47.3	Very low	61 Å²	61	77 Å²	77	23%	0.231	46%	0.455	C	S	.	.	H	α-helix	trans	-50.9	-41.2	176.2	-84.7	120.5	0	0	0	113.2	E870 L873 D887 V888 V889 V914	E870-W885 HydrophobicContact CB-CZ2 4.15Å; E870-W885 HydrophobicContact CG-CZ2 4.12Å; E870-W885 VanDerWaalsContact OE1-CD1 3.26Å; E870-W885 PolarHBondContact OE1-NE1 3.06Å; E870-W885 VanDerWaalsContact OE1-NE1 3.08Å; L873-W885 HydrophobicContact CB-CH2 3.47Å; L873-W885 VanDerWaalsContact CB-CH2 3.47Å; L873-W885 HydrophobicContact CB-CZ2 3.89Å; L873-W885 HydrophobicContact CD1-CH2 3.45Å; L873-W885 VanDerWaalsContact CD1-CH2 3.45Å; L873-W885 HydrophobicContact CD1-CZ2 3.92Å; L873-W885 HydrophobicContact CD1-CZ3 4.45Å; L873-W885 HydrophobicContact CG-CH2 4.07Å; W885-D887 VanDerWaalsContact C-N 3.32Å; W885-D887 PolarHBondContact O-N 3.48Å; W885-V888 HydrophobicContact CE3-CB 4.37Å; W885-V888 HydrophobicContact CE3-CG2 4.36Å; W885-V888 PolarHBondContact O-N 3.32Å; W885-V889 WeakPolarHBondContact O-CG2 3.45Å; W885-V889 PolarHBondContact O-N 2.94Å; W885-V914 HydrophobicContact CE3-CG1 4.14Å; W885-V914 HydrophobicContact CH2-CG1 4.41Å; W885-V914 HydrophobicContact CH2-CG2 4.35Å; W885-V914 HydrophobicContact CZ3-CB 4.24Å; W885-V914 HydrophobicContact CZ3-CG1 3.47Å; W885-V914 VanDerWaalsContact CZ3-CG1 3.47Å; W885-V914 HydrophobicContact CZ3-CG2 4.02Å
886	S	48.7	Very low	46.2	Very low	84 Å²	84	81.8 Å²	81.8	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-58.4	-41.4	172	28.4	0	0	0	0	112.5	S884 A890	S884-S886 PolarHBondContact O-N 3.26Å; S884-S886 VanDerWaalsContact O-N 3.17Å; S884-S886 PolarHBondContact OG-OG 2.82Å; S886-A890 WeakPolarHBondContact O-CB 3.36Å; S886-A890 PolarHBondContact O-N 3.02Å
887	D	47.9	Very low	45.3	Very low	69 Å²	69	85.9 Å²	85.9	37%	0.369	51%	0.51	S	S	.	.	H	α-helix	trans	-72.7	-33.5	176.5	-61.8	-41.6	0	0	0	112.3	A883 S884 W885 N891	A883-D887 HydrophobicContact CB-CB 3.31Å; S884-D887 WeakPolarHBondContact CB-OD2 3.42Å; S884-D887 PolarHBondContact N-OD2 2.85Å; S884-D887 CarbonylContact O-C 3.51Å; S884-D887 WeakPolarHBondContact O-CA 3.34Å; S884-D887 WeakPolarHBondContact O-CB 3.25Å; S884-D887 PolarHBondContact O-N 2.84Å; S884-D887 PolarHBondContact OG-N 3.46Å; S884-D887 PolarHBondContact OG-OD2 3.43Å; W885-D887 VanDerWaalsContact C-N 3.32Å; W885-D887 PolarHBondContact O-N 3.48Å; D887-N891 WeakPolarHBondContact O-CB 3.45Å; D887-N891 VanDerWaalsContact O-CG 3.24Å; D887-N891 PolarHBondContact O-N 3.41Å; D887-N891 PolarHBondContact O-ND2 3.19Å
888	V	46.4	Very low	44.2	Very low	13 Å²	13	92.2 Å²	92.2	8%	0.079	55%	0.55	C	S	.	.	H	α-helix	trans	-63.1	-50.4	175.5	-178.5	0	0	0	0	109.7	I881 S884 W885 F892 V914	I881-V888 HydrophobicContact CB-CG2 4.42Å; I881-V888 HydrophobicContact CD1-CG1 3.75Å; I881-V888 HydrophobicContact CD1-CG2 4.41Å; I881-V888 HydrophobicContact CG2-CB 4.19Å; I881-V888 HydrophobicContact CG2-CG1 4.36Å; I881-V888 HydrophobicContact CG2-CG2 3.28Å; S884-V888 VanDerWaalsContact O-CG2 3.26Å; S884-V888 WeakPolarHBondContact O-CG2 3.16Å; S884-V888 PolarHBondContact O-N 2.9Å; W885-V888 HydrophobicContact CE3-CB 4.37Å; W885-V888 HydrophobicContact CE3-CG2 4.36Å; W885-V888 PolarHBondContact O-N 3.32Å; V888-F892 HydrophobicContact CG1-CD2 4.2Å; V888-F892 WeakPolarHBondContact O-CB 3.36Å; V888-F892 VanDerWaalsContact O-CD2 3.32Å; V888-F892 WeakPolarHBondContact O-CD2 3.29Å; V888-F892 PolarHBondContact O-N 2.91Å; V888-V914 HydrophobicContact CG1-CG1 4.22Å
889	V	48	Very low	43.4	Very low	70 Å²	70	92.9 Å²	92.9	42%	0.424	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-40.1	179.3	176.4	0	0	0	0	111	W885	W885-V889 WeakPolarHBondContact O-CG2 3.45Å; W885-V889 PolarHBondContact O-N 2.94Å
890	A	46.8	Very low	43	Very low	62 Å²	62	92.9 Å²	92.9	51%	0.512	55%	0.551	S	S	.	*	H	α-helix	trans	-70.6	-38.3	-179.9	0	0	0	0	0	113.7	S886 S893	S886-A890 WeakPolarHBondContact O-CB 3.36Å; S886-A890 PolarHBondContact O-N 3.02Å; A890-S893 PolarHBondContact O-OG 3.07Å
891	N	42.4	Very low	42.8	Very low	119 Å²	119	92.6 Å²	92.6	64%	0.636	55%	0.55	S	S	*	.	H	α-helix	trans	-83.8	-14.6	-177.3	-69.4	-46.4	0	0	0	113.9	D887 S893	D887-N891 WeakPolarHBondContact O-CB 3.45Å; D887-N891 VanDerWaalsContact O-CG 3.24Å; D887-N891 PolarHBondContact O-N 3.41Å; D887-N891 PolarHBondContact O-ND2 3.19Å; N891-S893 VanDerWaalsContact C-N 3.3Å; N891-S893 PolarHBondContact O-N 3.35Å
892	F	45.1	Very low	42.1	Very low	84 Å²	84	97.7 Å²	97.7	37%	0.368	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	27	176.1	-88.7	-90.8	0	0	0	113.5	I881 V888 L894 L911	I881-F892 HydrophobicContact CD1-CE2 3.82Å; I881-F892 HydrophobicContact CD1-CZ 4.38Å; I881-F892 HydrophobicContact CG1-CE2 4.18Å; V888-F892 HydrophobicContact CG1-CD2 4.2Å; V888-F892 WeakPolarHBondContact O-CB 3.36Å; V888-F892 VanDerWaalsContact O-CD2 3.32Å; V888-F892 WeakPolarHBondContact O-CD2 3.29Å; V888-F892 PolarHBondContact O-N 2.91Å; F892-L894 PolarHBondContact O-N 3.23Å; F892-L894 VanDerWaalsContact O-N 3.15Å; F892-L911 HydrophobicContact CB-CD1 3.94Å; F892-L911 HydrophobicContact CD1-CD1 4.33Å; F892-L911 HydrophobicContact CG-CD1 4.36Å
893	S	39.6	Very low	41.5	Very low	87 Å²	87	94.6 Å²	94.6	61%	0.608	55%	0.553	S	S	*	*			trans	-56.4	119.2	171.8	33.7	0	0	0	0	110.5	A890 N891 T895	A890-S893 PolarHBondContact O-OG 3.07Å; N891-S893 VanDerWaalsContact C-N 3.3Å; N891-S893 PolarHBondContact O-N 3.35Å; S893-T895 PolarHBondContact O-N 3.25Å
894	L	39.4	Very low	41.4	Very low	130 Å²	130	94.2 Å²	94.2	68%	0.681	55%	0.55	S	S	*	*			trans	-24.7	96.2	-178.6	-77.7	117.3	0	0	0	113.6	F892 S896	F892-L894 PolarHBondContact O-N 3.23Å; F892-L894 VanDerWaalsContact O-N 3.15Å; L894-S896 VanDerWaalsContact C-N 3.34Å; L894-S896 PolarHBondContact O-N 3.21Å
895	T	37.8	Very low	41	Very low	139 Å²	139	98.3 Å²	98.3	85%	0.853	56%	0.561	S	S	*	*			trans	-74	96.7	166.3	28.9	0	0	0	0	107.6	S893 E897	S893-T895 PolarHBondContact O-N 3.25Å; T895-E897 PolarHBondContact O-N 3.4Å
896	S	36.1	Very low	40.4	Very low	108 Å²	108	98.8 Å²	98.8	76%	0.755	57%	0.573	S	S	*	*			trans	-63.4	82.4	166	55.9	0	0	0	0	109.1	L894	L894-S896 VanDerWaalsContact C-N 3.34Å; L894-S896 PolarHBondContact O-N 3.21Å
897	E	39.3	Very low	40.4	Very low	176 Å²	176	101.5 Å²	101.5	82%	0.822	57%	0.57	S	S	*	*			trans	-165	125.3	161.3	-110.3	154.4	-147.6	0	0	113.8	T895 S899	T895-E897 PolarHBondContact O-N 3.4Å; E897-S899 PolarHBondContact O-N 2.87Å
898	T	33.8	Very low	40.7	Very low	145 Å²	145	101.3 Å²	101.3	89%	0.89	57%	0.568	S	S	*	*			trans	-47.7	105.1	171.2	46.5	0	0	0	0	112.7
899	S	38.8	Very low	41	Very low	72 Å²	72	105.1 Å²	105.1	50%	0.503	58%	0.583	S	S	.	*			trans	-137.6	125.6	157.9	68.6	0	0	0	0	110.1	E897 D901	E897-S899 PolarHBondContact O-N 2.87Å; S899-D901 PolarHBondContact O-N 3.43Å
900	N	38.6	Very low	41.1	Very low	166 Å²	166	102.5 Å²	102.5	89%	0.888	57%	0.568	S	S	*	*			trans	-73.7	22.1	179.8	-88.7	-25.7	0	0	0	113.2	L902	N900-L902 PolarHBondContact O-N 3.48Å
901	D	40.1	Very low	41.6	Very low	102 Å²	102	101.9 Å²	101.9	55%	0.545	56%	0.555	S	S	.	*			trans	-75.6	123	-176.5	-99.4	-18.2	0	0	0	109.9	S899 P903 A904 K905	S899-D901 PolarHBondContact O-N 3.43Å; D901-P903 VanDerWaalsContact O-N 3.14Å; D901-A904 HydrophobicContact CB-CB 4.39Å; D901-A904 WeakPolarHBondContact O-CA 3.49Å; D901-A904 VanDerWaalsContact O-CB 3.28Å; D901-A904 WeakPolarHBondContact O-CB 3.18Å; D901-A904 PolarHBondContact O-N 2.83Å; D901-K905 PolarHBondContact O-N 3.29Å
902	L	30.7	Very low	42.4	Very low	138 Å²	138	96.5 Å²	96.5	72%	0.723	53%	0.526	S	S	*	.	H	α-helix	trans	-47.1	-36.6	171.7	-150	80.1	0	0	0	112.6	N900 A904 K905 C906	N900-L902 PolarHBondContact O-N 3.48Å; L902-A904 VanDerWaalsContact C-N 3.35Å; L902-A904 PolarHBondContact O-N 3.21Å; L902-K905 PolarHBondContact O-N 3.38Å; L902-C906 PolarHBondContact O-N 2.81Å; L902-C906 VanDerWaalsContact O-N 3.1Å
903	P	31.7	Very low	43	Very low	70 Å²	70	93.8 Å²	93.8	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-57.7	-36.7	168.7	-26.4	33.2	0	0	0	115.2	D901 R907	D901-P903 VanDerWaalsContact O-N 3.14Å; P903-R907 WeakPolarHBondContact O-CB 3.44Å; P903-R907 WeakPolarHBondContact O-CG 3.2Å; P903-R907 PolarHBondContact O-N 2.97Å
904	A	40.8	Very low	43.9	Very low	30 Å²	30	90 Å²	90	25%	0.248	49%	0.487	C	S	.	.	H	α-helix	trans	-70.6	-41	179.3	0	0	0	0	0	111.7	D901 L902 R907 Q908	D901-A904 HydrophobicContact CB-CB 4.39Å; D901-A904 WeakPolarHBondContact O-CA 3.49Å; D901-A904 VanDerWaalsContact O-CB 3.28Å; D901-A904 WeakPolarHBondContact O-CB 3.18Å; D901-A904 PolarHBondContact O-N 2.83Å; L902-A904 VanDerWaalsContact C-N 3.35Å; L902-A904 PolarHBondContact O-N 3.21Å; A904-R907 PolarHBondContact O-N 3.3Å; A904-Q908 WeakPolarHBondContact O-CB 3.33Å; A904-Q908 PolarHBondContact O-N 3.06Å
905	K	40	Very low	45	Very low	139 Å²	139	85.6 Å²	85.6	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-63.1	-40.6	173	-79.2	-174.5	176.2	-178.8	0	112.4	D901 L902 K909	D901-K905 PolarHBondContact O-N 3.29Å; L902-K905 PolarHBondContact O-N 3.38Å; K905-K909 PolarHBondContact O-N 2.87Å
906	C	36.9	Very low	46.2	Very low	72 Å²	72	79.2 Å²	79.2	49%	0.486	42%	0.424	S	S	.	.	H	α-helix	trans	-63.7	-48.7	172.5	-83.4	0	0	0	0	111.4	L902 Q908 K909 C910	L902-C906 PolarHBondContact O-N 2.81Å; L902-C906 VanDerWaalsContact O-N 3.1Å; C906-Q908 VanDerWaalsContact C-N 3.26Å; C906-Q908 PolarHBondContact O-N 3.03Å; C906-K909 PolarHBondContact O-N 3.12Å; C906-C910 PolarHBondContact O-N 2.94Å; C906-C910 VanDerWaalsContact O-N 3.07Å; C906-C910 PolarHBondContact O-SG 3.46Å
907	R	48.1	Very low	47.3	Very low	140 Å²	140	74.8 Å²	74.8	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-56.2	-38.6	177.4	-76.7	172.5	-170	176.7	3.9	112.8	P903 A904 C910 L911	P903-R907 WeakPolarHBondContact O-CB 3.44Å; P903-R907 WeakPolarHBondContact O-CG 3.2Å; P903-R907 PolarHBondContact O-N 2.97Å; A904-R907 PolarHBondContact O-N 3.3Å; R907-C910 WeakPolarHBondContact O-CB 3.44Å; R907-C910 PolarHBondContact O-N 3.44Å; R907-L911 PolarHBondContact O-N 2.93Å
908	Q	54	Low	48.5	Very low	66 Å²	66	69.4 Å²	69.4	31%	0.308	37%	0.368	S	S	.	.	H	α-helix	trans	-70.4	-39.9	179.7	-159.1	-174.9	-14	0	0	112.7	A904 C906 C910 L911 Y912	A904-Q908 WeakPolarHBondContact O-CB 3.33Å; A904-Q908 PolarHBondContact O-N 3.06Å; C906-Q908 VanDerWaalsContact C-N 3.26Å; C906-Q908 PolarHBondContact O-N 3.03Å; Q908-C910 VanDerWaalsContact C-N 3.26Å; Q908-C910 PolarHBondContact O-N 2.69Å; Q908-L911 WeakPolarHBondContact O-CB 3.1Å; Q908-L911 PolarHBondContact O-N 3.31Å; Q908-Y912 HydrophobicContact CG-CD2 4.47Å; Q908-Y912 HydrophobicContact CG-CE2 3.83Å; Q908-Y912 PolarHBondContact NE2-OH 3.31Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.43Å; Q908-Y912 PolarHBondContact O-N 3.42Å
909	K	52.1	Low	50	Low	93 Å²	93	62.5 Å²	62.5	40%	0.404	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-39.6	171.7	-70.5	-172.2	-176.8	-167.9	0	111.4	K905 C906 Y912 W913 D952 L955	K905-K909 PolarHBondContact O-N 2.87Å; C906-K909 PolarHBondContact O-N 3.12Å; K909-Y912 PolarHBondContact O-N 3.41Å; K909-W913 PolarHBondContact O-N 3.02Å; K909-D952 IonicContact NZ-OD2 3.54Å; K909-D952 PolarHBondContact NZ-OD2 3.14Å; K909-L955 HydrophobicContact CB-CD1 4.3Å; K909-L955 HydrophobicContact CG-CD1 4.46Å
910	C	50.4	Low	51.2	Low	15 Å²	15	59.4 Å²	59.4	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-37.9	178.3	-61.2	0	0	0	0	113.1	Y876 F877 C906 R907 Q908 Y912 W913 V914	Y876-C910 HydrophobicContact CE1-CB 4.45Å; Y876-C910 WeakPolarHBondContact CE1-SG 3.42Å; F877-C910 HydrophobicContact CE1-CB 3.61Å; F877-C910 HydrophobicContact CZ-CB 3.66Å; C906-C910 PolarHBondContact O-N 2.94Å; C906-C910 VanDerWaalsContact O-N 3.07Å; C906-C910 PolarHBondContact O-SG 3.46Å; R907-C910 WeakPolarHBondContact O-CB 3.44Å; R907-C910 PolarHBondContact O-N 3.44Å; Q908-C910 VanDerWaalsContact C-N 3.26Å; Q908-C910 PolarHBondContact O-N 2.69Å; C910-Y912 VanDerWaalsContact C-N 3.34Å; C910-Y912 PolarHBondContact O-N 3.29Å; C910-W913 PolarHBondContact O-N 2.96Å; C910-V914 WeakPolarHBondContact O-CG2 3.35Å; C910-V914 PolarHBondContact O-N 2.92Å
911	L	56.8	Low	52.3	Low	49 Å²	49	53.5 Å²	53.5	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-48.6	173.9	176.7	70.9	0	0	0	111.2	F892 R907 Q908 W913 V914 L915	F892-L911 HydrophobicContact CB-CD1 3.94Å; F892-L911 HydrophobicContact CD1-CD1 4.33Å; F892-L911 HydrophobicContact CG-CD1 4.36Å; R907-L911 PolarHBondContact O-N 2.93Å; Q908-L911 WeakPolarHBondContact O-CB 3.1Å; Q908-L911 PolarHBondContact O-N 3.31Å; L911-W913 VanDerWaalsContact C-N 3.32Å; L911-W913 PolarHBondContact O-N 2.93Å; L911-V914 PolarHBondContact O-N 3.44Å; L911-L915 VanDerWaalsContact O-CB 3.29Å; L911-L915 WeakPolarHBondContact O-CB 3.41Å; L911-L915 PolarHBondContact O-N 3.31Å
912	Y	60.2	Low	53.6	Low	5 Å²	5	51.3 Å²	51.3	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-29.4	-178.6	-65.6	-61.9	0	0	0	112.9	Q908 K909 C910 Y916 V942 E945 L946 L955 Y959	Q908-Y912 HydrophobicContact CG-CD2 4.47Å; Q908-Y912 HydrophobicContact CG-CE2 3.83Å; Q908-Y912 PolarHBondContact NE2-OH 3.31Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.43Å; Q908-Y912 PolarHBondContact O-N 3.42Å; K909-Y912 PolarHBondContact O-N 3.41Å; C910-Y912 VanDerWaalsContact C-N 3.34Å; C910-Y912 PolarHBondContact O-N 3.29Å; Y912-Y916 WeakPolarHBondContact O-CB 3.33Å; Y912-Y916 PolarHBondContact O-N 2.87Å; Y912-V942 HydrophobicContact CD1-CG1 3.58Å; Y912-V942 HydrophobicContact CE1-CG1 3.74Å; Y912-E945 PolarHBondContact OH-OE1 2.95Å; Y912-L946 HydrophobicContact CD1-CD2 3.67Å; Y912-L946 HydrophobicContact CD1-CG 4.22Å; Y912-L946 HydrophobicContact CD2-CD2 3.54Å; Y912-L946 HydrophobicContact CE1-CD2 3.52Å; Y912-L946 HydrophobicContact CE1-CG 4Å; Y912-L946 HydrophobicContact CE2-CD2 3.37Å; Y912-L946 HydrophobicContact CG-CD2 3.7Å; Y912-L955 VanDerWaalsContact CB-CD2 3.44Å; Y912-L955 HydrophobicContact CD1-CD2 4.44Å; Y912-L955 HydrophobicContact CD2-CD1 4.43Å; Y912-L955 HydrophobicContact CD2-CD2 3.65Å; Y912-L955 HydrophobicContact CG-CD2 3.62Å; Y912-Y959 HydrophobicContact CD1-CE2 4.43Å; Y912-Y959 VanDerWaalsContact O-CE2 3.29Å; Y912-Y959 WeakPolarHBondContact O-CE2 3.45Å; Y912-Y959 PolarHBondContact O-OH 3.37Å
913	W	57.7	Low	55.2	Low	28 Å²	28	44.9 Å²	44.9	11%	0.106	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-43.2	171.5	-89.4	101.2	0	0	0	112.7	I848 L851 N852 K909 C910 L911 Y916 S917 L954 M958	I848-W913 HydrophobicContact CD1-CZ2 4.07Å; I848-W913 HydrophobicContact CG1-CH2 4.24Å; I848-W913 HydrophobicContact CG1-CZ2 3.61Å; L851-W913 HydrophobicContact CB-CE3 4.14Å; L851-W913 HydrophobicContact CB-CH2 4.15Å; L851-W913 HydrophobicContact CB-CZ3 3.56Å; L851-W913 HydrophobicContact CD1-CD2 4.25Å; L851-W913 HydrophobicContact CD1-CE3 3.67Å; L851-W913 HydrophobicContact CD1-CZ3 3.97Å; L851-W913 HydrophobicContact CG-CZ3 4.42Å; N852-W913 WeakPolarHBondContact OD1-CH2 3.08Å; K909-W913 PolarHBondContact O-N 3.02Å; C910-W913 PolarHBondContact O-N 2.96Å; L911-W913 VanDerWaalsContact C-N 3.32Å; L911-W913 PolarHBondContact O-N 2.93Å; W913-Y916 HydrophobicContact CE3-CD1 4.5Å; W913-Y916 WeakPolarHBondContact O-CB 3.43Å; W913-Y916 PolarHBondContact O-N 2.65Å; W913-S917 PolarHBondContact O-N 3.49Å; W913-S917 PolarHBondContact O-OG 3.27Å; W913-L954 HydrophobicContact CZ2-CD2 4.33Å; W913-M958 HydrophobicContact CD2-CE 3.94Å; W913-M958 HydrophobicContact CD2-SD 4.26Å; W913-M958 HydrophobicContact CE3-CE 3.44Å; W913-M958 VanDerWaalsContact CE3-CE 3.44Å; W913-M958 HydrophobicContact CE3-SD 4.28Å; W913-M958 HydrophobicContact CH2-CE 3.11Å; W913-M958 HydrophobicContact CH2-SD 3.25Å; W913-M958 WeakPolarHBondContact CH2-SD 3.42Å; W913-M958 HydrophobicContact CZ2-CE 3.62Å; W913-M958 HydrophobicContact CZ2-SD 3.16Å; W913-M958 WeakPolarHBondContact CZ2-SD 3.37Å; W913-M958 HydrophobicContact CZ3-CE 3Å; W913-M958 HydrophobicContact CZ3-SD 3.83Å
914	V	57.4	Low	56.6	Low	7 Å²	7	44.7 Å²	44.7	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-59.4	-49.2	174.4	161.3	0	0	0	0	111	L873 F877 W885 V888 C910 L911 Y916 S917 H918	L873-V914 HydrophobicContact CD2-CG2 4.25Å; F877-V914 HydrophobicContact CD2-CG2 4.16Å; F877-V914 HydrophobicContact CE2-CG2 3.17Å; F877-V914 HydrophobicContact CZ-CG2 3.49Å; F877-V914 VanDerWaalsContact CZ-CG2 3.49Å; W885-V914 HydrophobicContact CE3-CG1 4.14Å; W885-V914 HydrophobicContact CH2-CG1 4.41Å; W885-V914 HydrophobicContact CH2-CG2 4.35Å; W885-V914 HydrophobicContact CZ3-CB 4.24Å; W885-V914 HydrophobicContact CZ3-CG1 3.47Å; W885-V914 VanDerWaalsContact CZ3-CG1 3.47Å; W885-V914 HydrophobicContact CZ3-CG2 4.02Å; V888-V914 HydrophobicContact CG1-CG1 4.22Å; C910-V914 WeakPolarHBondContact O-CG2 3.35Å; C910-V914 PolarHBondContact O-N 2.92Å; L911-V914 PolarHBondContact O-N 3.44Å; V914-Y916 VanDerWaalsContact C-N 3.34Å; V914-S917 PolarHBondContact O-N 2.97Å; V914-H918 WeakPolarHBondContact O-CB 3.36Å; V914-H918 PolarHBondContact O-N 3.04Å
915	L	62.6	Low	57.5	Low	37 Å²	37	44.6 Å²	44.6	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-36.4	-177.5	-174.3	69.4	0	0	0	111	L911 H918 L919 V942 Y959	L911-L915 VanDerWaalsContact O-CB 3.29Å; L911-L915 WeakPolarHBondContact O-CB 3.41Å; L911-L915 PolarHBondContact O-N 3.31Å; L915-H918 PolarHBondContact O-N 2.9Å; L915-L919 HydrophobicContact CG-CD1 4.16Å; L915-L919 WeakPolarHBondContact O-CB 3.02Å; L915-L919 WeakPolarHBondContact O-CG 3.2Å; L915-L919 PolarHBondContact O-N 2.69Å; L915-V942 HydrophobicContact CD2-CB 4.39Å; L915-V942 HydrophobicContact CD2-CG1 4.21Å; L915-V942 HydrophobicContact CD2-CG2 3.27Å; L915-V942 HydrophobicContact CG-CG2 4.22Å; L915-Y959 VanDerWaalsContact CB-OH 3.26Å; L915-Y959 WeakPolarHBondContact CB-OH 3.44Å
916	Y	64	Low	58.2	Low	5 Å²	5	45.6 Å²	45.6	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-54.3	170.6	175.8	-94.4	0	0	0	111.2	S855 Y912 W913 V914 H918 L919 L920 M958 Y959 L962	S855-Y916 PolarHBondContact OG-OH 3.48Å; Y912-Y916 WeakPolarHBondContact O-CB 3.33Å; Y912-Y916 PolarHBondContact O-N 2.87Å; W913-Y916 HydrophobicContact CE3-CD1 4.5Å; W913-Y916 WeakPolarHBondContact O-CB 3.43Å; W913-Y916 PolarHBondContact O-N 2.65Å; V914-Y916 VanDerWaalsContact C-N 3.34Å; Y916-H918 VanDerWaalsContact C-N 3.32Å; Y916-H918 PolarHBondContact O-N 2.97Å; Y916-L919 PolarHBondContact O-N 3.42Å; Y916-L920 HydrophobicContact CD1-CD2 4.44Å; Y916-L920 HydrophobicContact CE1-CD1 4.39Å; Y916-L920 HydrophobicContact CE1-CD2 3.77Å; Y916-L920 WeakPolarHBondContact O-CB 3.47Å; Y916-L920 PolarHBondContact O-N 2.83Å; Y916-M958 HydrophobicContact CD1-CE 3.37Å; Y916-M958 HydrophobicContact CD2-CB 4.12Å; Y916-M958 HydrophobicContact CD2-CE 3.88Å; Y916-M958 HydrophobicContact CE1-CE 3.4Å; Y916-M958 HydrophobicContact CE2-CB 3.9Å; Y916-M958 HydrophobicContact CE2-CE 3.88Å; Y916-M958 VanDerWaalsContact CE2-O 3.26Å; Y916-M958 WeakPolarHBondContact CE2-O 3.37Å; Y916-M958 HydrophobicContact CG-CE 3.62Å; Y916-Y959 HydrophobicContact CD2-CD2 4.37Å; Y916-Y959 HydrophobicContact CD2-CE2 4.39Å; Y916-Y959 PolarHBondContact N-OH 2.91Å; Y916-L962 HydrophobicContact CD2-CB 4.01Å; Y916-L962 HydrophobicContact CD2-CD2 3.91Å; Y916-L962 HydrophobicContact CD2-CG 4.46Å; Y916-L962 HydrophobicContact CE2-CB 3.66Å; Y916-L962 HydrophobicContact CE2-CD2 4.35Å; Y916-L962 HydrophobicContact CE2-CG 4.42Å
917	S	58.7	Low	59.1	Low	15 Å²	15	47.6 Å²	47.6	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-35.6	-180	-65.5	0	0	0	0	112.9	W913 V914 S921	W913-S917 PolarHBondContact O-N 3.49Å; W913-S917 PolarHBondContact O-OG 3.27Å; V914-S917 PolarHBondContact O-N 2.97Å; S917-S921 WeakPolarHBondContact O-CB 3.45Å; S917-S921 PolarHBondContact O-N 3.03Å
918	H	64.2	Low	59.2	Low	64 Å²	64	46.4 Å²	46.4	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-48.7	174	176.6	66.9	0	0	0	112	V914 L915 Y916 L920 S921 R922	V914-H918 WeakPolarHBondContact O-CB 3.36Å; V914-H918 PolarHBondContact O-N 3.04Å; L915-H918 PolarHBondContact O-N 2.9Å; Y916-H918 VanDerWaalsContact C-N 3.32Å; Y916-H918 PolarHBondContact O-N 2.97Å; H918-L920 VanDerWaalsContact C-N 3.34Å; H918-S921 WeakPolarHBondContact O-CB 3.47Å; H918-S921 PolarHBondContact O-N 2.98Å; H918-R922 PolarHBondContact O-N 3.18Å
919	L	66.5	Low	59.3	Low	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-39.9	179.1	-68.3	169.7	0	0	0	111.4	L915 Y916 S921 R922 L923 L935 Q938 Y959 L962	L915-L919 HydrophobicContact CG-CD1 4.16Å; L915-L919 WeakPolarHBondContact O-CB 3.02Å; L915-L919 WeakPolarHBondContact O-CG 3.2Å; L915-L919 PolarHBondContact O-N 2.69Å; Y916-L919 PolarHBondContact O-N 3.42Å; L919-S921 VanDerWaalsContact C-N 3.34Å; L919-R922 PolarHBondContact O-N 2.89Å; L919-L923 PolarHBondContact O-N 3.07Å; L919-L935 HydrophobicContact CB-CD1 4.22Å; L919-L935 HydrophobicContact CD2-CD1 3.53Å; L919-L935 HydrophobicContact CD2-CG 4.46Å; L919-L935 HydrophobicContact CG-CD1 4.5Å; L919-Q938 HydrophobicContact CD2-CB 3.73Å; L919-Y959 HydrophobicContact CD1-CE1 3.95Å; L919-L962 HydrophobicContact CB-CD1 4.27Å; L919-L962 HydrophobicContact CB-CD2 3.56Å; L919-L962 HydrophobicContact CB-CG 4.41Å; L919-L962 HydrophobicContact CD1-CD2 3.73Å; L919-L962 HydrophobicContact CG-CD2 4.3Å
920	L	63.5	Low	59.6	Low	7 Å²	7	46.7 Å²	46.7	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-41.5	174	-160.5	78.3	0	0	0	111.2	L858 Y916 H918 L923 Y924 L962	L858-L920 HydrophobicContact CD1-CD2 3.26Å; L858-L920 HydrophobicContact CD1-CG 4.06Å; L858-L920 HydrophobicContact CD2-CD2 3.98Å; L858-L920 HydrophobicContact CD2-CG 4.07Å; L858-L920 HydrophobicContact CG-CD2 4.26Å; Y916-L920 HydrophobicContact CD1-CD2 4.44Å; Y916-L920 HydrophobicContact CE1-CD1 4.39Å; Y916-L920 HydrophobicContact CE1-CD2 3.77Å; Y916-L920 WeakPolarHBondContact O-CB 3.47Å; Y916-L920 PolarHBondContact O-N 2.83Å; H918-L920 VanDerWaalsContact C-N 3.34Å; L920-L923 WeakPolarHBondContact O-CB 3.07Å; L920-L923 PolarHBondContact O-N 3.45Å; L920-Y924 HydrophobicContact CD1-CE2 4.08Å; L920-Y924 HydrophobicContact CG-CD2 4.33Å; L920-Y924 HydrophobicContact CG-CE2 4.32Å; L920-Y924 VanDerWaalsContact O-CD2 3.32Å; L920-Y924 WeakPolarHBondContact O-CD2 3.34Å; L920-Y924 PolarHBondContact O-N 3.21Å; L920-L962 HydrophobicContact CB-CD1 4.03Å; L920-L962 HydrophobicContact CD1-CD1 3.62Å; L920-L962 HydrophobicContact CG-CD1 4.45Å
921	S	62.3	Low	60.5	Low	42 Å²	42	50.4 Å²	50.4	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-46.5	174	-171	0	0	0	0	112.2	S917 H918 L919 L923 Y924 S925	S917-S921 WeakPolarHBondContact O-CB 3.45Å; S917-S921 PolarHBondContact O-N 3.03Å; H918-S921 WeakPolarHBondContact O-CB 3.47Å; H918-S921 PolarHBondContact O-N 2.98Å; L919-S921 VanDerWaalsContact C-N 3.34Å; S921-L923 VanDerWaalsContact C-N 3.27Å; S921-L923 PolarHBondContact O-N 3.28Å; S921-Y924 PolarHBondContact O-N 3.48Å; S921-S925 VanDerWaalsContact O-CB 3.31Å; S921-S925 WeakPolarHBondContact O-CB 3.42Å; S921-S925 PolarHBondContact O-N 2.69Å; S921-S925 PolarHBondContact O-OG 2.76Å
922	R	66.5	Low	60.8	Low	56 Å²	56	48.4 Å²	48.4	21%	0.211	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-36	177	-71.6	-175.9	69.9	-162	-0.3	111.5	H918 L919 Y924 S925 T930 D934 L935	H918-R922 PolarHBondContact O-N 3.18Å; L919-R922 PolarHBondContact O-N 2.89Å; R922-Y924 VanDerWaalsContact C-N 3.31Å; R922-Y924 PolarHBondContact O-N 3.29Å; R922-S925 WeakPolarHBondContact CA-OG 3.47Å; R922-S925 PolarHBondContact O-OG 2.95Å; R922-S925 VanDerWaalsContact O-OG 3.11Å; R922-T930 HydrophobicContact CB-CG2 3.98Å; R922-T930 WeakPolarHBondContact O-CG2 3.34Å; R922-D934 IonicContact CZ-OD2 3.62Å; R922-D934 IonicContact NH1-OD2 3.26Å; R922-D934 PolarHBondContact NH1-OD2 3.31Å; R922-D934 IonicContact NH2-OD2 2.98Å; R922-D934 PolarHBondContact NH2-OD2 3.04Å; R922-L935 HydrophobicContact CB-CD1 3.62Å; R922-L935 HydrophobicContact CB-CD2 4.44Å; R922-L935 HydrophobicContact CG-CD1 4.44Å
923	L	65.1	Low	61	Low	3 Å²	3	49.3 Å²	49.3	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-41.9	179.1	-170.7	64.3	0	0	0	112.3	L919 L920 S921 L935 N965 T966 A969 R973	L919-L923 PolarHBondContact O-N 3.07Å; L920-L923 WeakPolarHBondContact O-CB 3.07Å; L920-L923 PolarHBondContact O-N 3.45Å; S921-L923 VanDerWaalsContact C-N 3.27Å; S921-L923 PolarHBondContact O-N 3.28Å; L923-L935 HydrophobicContact CB-CD2 3.71Å; L923-L935 HydrophobicContact CD1-CD2 3.61Å; L923-L935 HydrophobicContact CG-CD2 4.25Å; L923-N965 HydrophobicContact CD2-CB 3.56Å; L923-T966 HydrophobicContact CD1-CG2 4.17Å; L923-A969 HydrophobicContact CD1-CB 3.61Å; L923-A969 HydrophobicContact CG-CB 4.44Å; L923-R973 PolarHBondContact O-NH2 2.83Å
924	Y	61.5	Low	61.6	Low	66 Å²	66	50.7 Å²	50.7	26%	0.259	28%	0.28	S	S	.	.	H	α-helix	trans	-103.7	-7.2	-172.6	-68.8	-73.1	0	0	0	114.8	L858 L920 S921 R922 D926	L858-Y924 HydrophobicContact CB-CD2 4.47Å; L858-Y924 HydrophobicContact CB-CE2 4.45Å; L858-Y924 HydrophobicContact CD2-CD2 3.91Å; L920-Y924 HydrophobicContact CD1-CE2 4.08Å; L920-Y924 HydrophobicContact CG-CD2 4.33Å; L920-Y924 HydrophobicContact CG-CE2 4.32Å; L920-Y924 VanDerWaalsContact O-CD2 3.32Å; L920-Y924 WeakPolarHBondContact O-CD2 3.34Å; L920-Y924 PolarHBondContact O-N 3.21Å; S921-Y924 PolarHBondContact O-N 3.48Å; R922-Y924 VanDerWaalsContact C-N 3.31Å; R922-Y924 PolarHBondContact O-N 3.29Å; Y924-D926 PolarHBondContact O-N 3.46Å
925	S	60	Low	62.1	Low	28 Å²	28	50.4 Å²	50.4	20%	0.196	28%	0.278	C	S	.	.			trans	-66.3	125.1	169.4	53	0	0	0	0	109.5	S921 R922 D927	S921-S925 VanDerWaalsContact O-CB 3.31Å; S921-S925 WeakPolarHBondContact O-CB 3.42Å; S921-S925 PolarHBondContact O-N 2.69Å; S921-S925 PolarHBondContact O-OG 2.76Å; R922-S925 WeakPolarHBondContact CA-OG 3.47Å; R922-S925 PolarHBondContact O-OG 2.95Å; R922-S925 VanDerWaalsContact O-OG 3.11Å; S925-D927 PolarHBondContact O-N 3.03Å
926	D	52.8	Low	62.2	Low	160 Å²	160	48.6 Å²	48.6	86%	0.856	27%	0.269	S	S	*	.			trans	-66.3	10.9	174.4	-89.7	-19.1	0	0	0	113.6	Y924 S928	Y924-D926 PolarHBondContact O-N 3.46Å; D926-S928 PolarHBondContact O-N 3.42Å
927	D	56.2	Low	62.3	Low	114 Å²	114	52.7 Å²	52.7	61%	0.61	29%	0.29	S	S	*	.			trans	-62.7	113.1	173.3	-93.8	-21.9	0	0	0	109.8	S925 D929 T930	S925-D927 PolarHBondContact O-N 3.03Å; D927-D929 PolarHBondContact O-N 3.39Å; D927-T930 PolarHBondContact O-N 2.85Å; D927-T930 VanDerWaalsContact O-N 3.12Å; D927-T930 PolarHBondContact O-OG1 3.34Å
928	S	50.2	Low	62.8	Low	114 Å²	114	54.7 Å²	54.7	80%	0.797	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-14.2	178.4	55.4	0	0	0	0	114	D926	D926-S928 PolarHBondContact O-N 3.42Å
929	D	55.7	Low	62.8	Low	147 Å²	147	51.7 Å²	51.7	79%	0.786	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	-177	-68.3	-8.3	0	0	0	113.1	D927 D931	D927-D929 PolarHBondContact O-N 3.39Å; D929-D931 PolarHBondContact O-N 2.85Å; D929-D931 VanDerWaalsContact O-N 3.11Å
930	T	60.4	Low	62.5	Low	19 Å²	19	52.1 Å²	52.1	12%	0.117	29%	0.287	C	S	.	.			trans	-77.7	101.7	-178.3	-33.4	0	0	0	0	111.4	R922 D927 T932	R922-T930 HydrophobicContact CB-CG2 3.98Å; R922-T930 WeakPolarHBondContact O-CG2 3.34Å; D927-T930 PolarHBondContact O-N 2.85Å; D927-T930 VanDerWaalsContact O-N 3.12Å; D927-T930 PolarHBondContact O-OG1 3.34Å; T930-T932 PolarHBondContact O-N 3.35Å
931	D	67.4	Low	62.6	Low	93 Å²	93	55.3 Å²	55.3	50%	0.497	31%	0.31	S	S	.	.			trans	-67.3	100.7	169.6	-173	-9.7	0	0	0	110.1	D929 A933 D934 L935	D929-D931 PolarHBondContact O-N 2.85Å; D929-D931 VanDerWaalsContact O-N 3.11Å; D931-A933 PolarHBondContact O-N 3.13Å; D931-A933 VanDerWaalsContact OD1-CB 3.28Å; D931-A933 WeakPolarHBondContact OD1-CB 3.32Å; D931-A933 PolarHBondContact OD1-N 3.32Å; D931-D934 HydrophobicContact CB-CB 3.99Å; D931-D934 WeakPolarHBondContact O-CB 3.49Å; D931-D934 PolarHBondContact O-N 2.7Å; D931-D934 PolarHBondContact OD1-N 3.36Å; D931-L935 PolarHBondContact O-N 3.19Å; D931-L935 VanDerWaalsContact O-N 3.08Å
932	T	64.8	Low	62.7	Low	6 Å²	6	53.7 Å²	53.7	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-23.4	178.4	43.7	0	0	0	0	112.7	T930 A936 C975	T930-T932 PolarHBondContact O-N 3.35Å; T932-A936 WeakPolarHBondContact O-CB 3.4Å; T932-A936 PolarHBondContact O-N 3.45Å; T932-C975 PolarHBondContact OG1-SG 2.99Å
933	A	63.5	Low	62.4	Low	25 Å²	25	51.2 Å²	51.2	21%	0.207	29%	0.289	C	S	.	.	H	α-helix	trans	-74.6	-39.7	175.1	0	0	0	0	0	111.8	D931 L935 A936 L937 M970	D931-A933 PolarHBondContact O-N 3.13Å; D931-A933 VanDerWaalsContact OD1-CB 3.28Å; D931-A933 WeakPolarHBondContact OD1-CB 3.32Å; D931-A933 PolarHBondContact OD1-N 3.32Å; A933-L935 VanDerWaalsContact C-N 3.33Å; A933-A936 PolarHBondContact O-N 3.27Å; A933-L937 WeakPolarHBondContact O-CG 3.49Å; A933-L937 PolarHBondContact O-N 2.84Å; A933-M970 HydrophobicContact CB-CE 4.18Å
934	D	70.2	Confident	62.2	Low	57 Å²	57	53.1 Å²	53.1	31%	0.305	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-44.5	170.3	172	53.9	0	0	0	110.5	R922 D931 A936 L937 Q938	R922-D934 IonicContact CZ-OD2 3.62Å; R922-D934 IonicContact NH1-OD2 3.26Å; R922-D934 PolarHBondContact NH1-OD2 3.31Å; R922-D934 IonicContact NH2-OD2 2.98Å; R922-D934 PolarHBondContact NH2-OD2 3.04Å; D931-D934 HydrophobicContact CB-CB 3.99Å; D931-D934 WeakPolarHBondContact O-CB 3.49Å; D931-D934 PolarHBondContact O-N 2.7Å; D931-D934 PolarHBondContact OD1-N 3.36Å; D934-A936 VanDerWaalsContact C-N 3.33Å; D934-A936 PolarHBondContact O-N 2.78Å; D934-L937 WeakPolarHBondContact O-CB 3.25Å; D934-L937 PolarHBondContact O-N 3.47Å; D934-Q938 VanDerWaalsContact CG-NE2 3.29Å; D934-Q938 WeakPolarHBondContact O-CG 3.44Å; D934-Q938 PolarHBondContact O-N 3.42Å; D934-Q938 PolarHBondContact OD1-NE2 3.37Å; D934-Q938 VanDerWaalsContact OD1-NE2 3.1Å; D934-Q938 PolarHBondContact OD2-NE2 2.73Å
935	L	68.8	Low	62.4	Low	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-42.4	177.1	-164.3	74	0	0	0	112.4	L919 R922 L923 D931 A933 L937 Q938 C939 T966	L919-L935 HydrophobicContact CB-CD1 4.22Å; L919-L935 HydrophobicContact CD2-CD1 3.53Å; L919-L935 HydrophobicContact CD2-CG 4.46Å; L919-L935 HydrophobicContact CG-CD1 4.5Å; R922-L935 HydrophobicContact CB-CD1 3.62Å; R922-L935 HydrophobicContact CB-CD2 4.44Å; R922-L935 HydrophobicContact CG-CD1 4.44Å; L923-L935 HydrophobicContact CB-CD2 3.71Å; L923-L935 HydrophobicContact CD1-CD2 3.61Å; L923-L935 HydrophobicContact CG-CD2 4.25Å; D931-L935 PolarHBondContact O-N 3.19Å; D931-L935 VanDerWaalsContact O-N 3.08Å; A933-L935 VanDerWaalsContact C-N 3.33Å; L935-L937 VanDerWaalsContact C-N 3.35Å; L935-L937 PolarHBondContact O-N 2.9Å; L935-Q938 PolarHBondContact O-N 3.11Å; L935-C939 PolarHBondContact O-N 3.11Å; L935-C939 PolarHBondContact O-SG 3.35Å; L935-T966 HydrophobicContact CB-CG2 4.25Å; L935-T966 HydrophobicContact CD2-CG2 4.09Å; L935-T966 HydrophobicContact CG-CG2 4.26Å
936	A	63	Low	62.4	Low	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176.1	0	0	0	0	0	111.8	T932 A933 D934 Q938 C939 V940 T966 M970 V981	T932-A936 WeakPolarHBondContact O-CB 3.4Å; T932-A936 PolarHBondContact O-N 3.45Å; A933-A936 PolarHBondContact O-N 3.27Å; D934-A936 VanDerWaalsContact C-N 3.33Å; D934-A936 PolarHBondContact O-N 2.78Å; A936-Q938 VanDerWaalsContact C-N 3.34Å; A936-C939 PolarHBondContact O-N 3.28Å; A936-V940 VanDerWaalsContact O-CB 3.3Å; A936-V940 WeakPolarHBondContact O-CB 3.13Å; A936-V940 WeakPolarHBondContact O-CG2 3.08Å; A936-V940 PolarHBondContact O-N 3.5Å; A936-T966 HydrophobicContact CB-CG2 3.8Å; A936-M970 HydrophobicContact CB-SD 3.63Å; A936-V981 HydrophobicContact CB-CG1 4.06Å; A936-V981 HydrophobicContact CB-CG2 3.9Å
937	L	66.6	Low	62.6	Low	91 Å²	91	45.4 Å²	45.4	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-38.4	175.6	-74.3	168.5	0	0	0	112.2	A933 D934 L935 V940 S941	A933-L937 WeakPolarHBondContact O-CG 3.49Å; A933-L937 PolarHBondContact O-N 2.84Å; D934-L937 WeakPolarHBondContact O-CB 3.25Å; D934-L937 PolarHBondContact O-N 3.47Å; L935-L937 VanDerWaalsContact C-N 3.35Å; L935-L937 PolarHBondContact O-N 2.9Å; L937-V940 WeakPolarHBondContact O-CB 3.23Å; L937-V940 PolarHBondContact O-N 3.32Å; L937-S941 WeakPolarHBondContact O-CB 3.41Å; L937-S941 PolarHBondContact O-N 3Å
938	Q	68.7	Low	62.7	Low	57 Å²	57	46.5 Å²	46.5	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-45	175.2	-68.9	-178.8	28.4	0	0	111.4	L919 D934 L935 A936 V940 S941 V942	L919-Q938 HydrophobicContact CD2-CB 3.73Å; D934-Q938 VanDerWaalsContact CG-NE2 3.29Å; D934-Q938 WeakPolarHBondContact O-CG 3.44Å; D934-Q938 PolarHBondContact O-N 3.42Å; D934-Q938 PolarHBondContact OD1-NE2 3.37Å; D934-Q938 VanDerWaalsContact OD1-NE2 3.1Å; D934-Q938 PolarHBondContact OD2-NE2 2.73Å; L935-Q938 PolarHBondContact O-N 3.11Å; A936-Q938 VanDerWaalsContact C-N 3.34Å; Q938-V940 VanDerWaalsContact C-N 3.31Å; Q938-V940 PolarHBondContact O-N 3.11Å; Q938-S941 PolarHBondContact O-N 3.15Å; Q938-V942 WeakPolarHBondContact O-CG2 3.06Å; Q938-V942 PolarHBondContact O-N 3.33Å; Q938-V942 VanDerWaalsContact O-N 3.09Å
939	C	64.4	Low	63.1	Low	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-46.5	174.5	-64.5	0	0	0	0	111.3	L935 A936 S941 V942 C943 L963	L935-C939 PolarHBondContact O-N 3.11Å; L935-C939 PolarHBondContact O-SG 3.35Å; A936-C939 PolarHBondContact O-N 3.28Å; C939-S941 PolarHBondContact O-N 2.9Å; C939-V942 PolarHBondContact O-N 3.13Å; C939-C943 PolarHBondContact O-N 3.03Å; C939-C943 PolarHBondContact O-SG 3.14Å; C939-L963 HydrophobicContact CB-CB 4.43Å; C939-L963 HydrophobicContact CB-CD1 3.94Å
940	V	60.7	Low	63	Low	10 Å²	10	47.7 Å²	47.7	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-54.6	-50.2	174.3	138.3	0	0	0	0	111.9	A936 L937 Q938 V942 C943 N944 L963 V981 Q984	A936-V940 VanDerWaalsContact O-CB 3.3Å; A936-V940 WeakPolarHBondContact O-CB 3.13Å; A936-V940 WeakPolarHBondContact O-CG2 3.08Å; A936-V940 PolarHBondContact O-N 3.5Å; L937-V940 WeakPolarHBondContact O-CB 3.23Å; L937-V940 PolarHBondContact O-N 3.32Å; Q938-V940 VanDerWaalsContact C-N 3.31Å; Q938-V940 PolarHBondContact O-N 3.11Å; V940-V942 VanDerWaalsContact C-N 3.26Å; V940-V942 PolarHBondContact O-N 3.2Å; V940-C943 PolarHBondContact O-N 3.35Å; V940-N944 PolarHBondContact O-N 3.49Å; V940-N944 PolarHBondContact O-ND2 3.08Å; V940-L963 HydrophobicContact CG2-CD1 3.96Å; V940-V981 HydrophobicContact CG2-CG1 4.49Å; V940-Q984 HydrophobicContact CG1-CG 4.46Å; V940-Q984 HydrophobicContact CG2-CB 3.97Å
941	S	66.6	Low	62.6	Low	73 Å²	73	48 Å²	48	51%	0.51	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-42.4	180	-174	0	0	0	0	111.3	L937 Q938 C939 N944 E945	L937-S941 WeakPolarHBondContact O-CB 3.41Å; L937-S941 PolarHBondContact O-N 3Å; Q938-S941 PolarHBondContact O-N 3.15Å; C939-S941 PolarHBondContact O-N 2.9Å; S941-N944 PolarHBondContact O-N 3.38Å; S941-E945 PolarHBondContact O-N 2.94Å
942	V	64.6	Low	61.8	Low	9 Å²	9	46.3 Å²	46.3	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-42.4	-179.8	-178	0	0	0	0	111.3	Y912 L915 Q938 C939 V940 N944 E945 L946 Y959	Y912-V942 HydrophobicContact CD1-CG1 3.58Å; Y912-V942 HydrophobicContact CE1-CG1 3.74Å; L915-V942 HydrophobicContact CD2-CB 4.39Å; L915-V942 HydrophobicContact CD2-CG1 4.21Å; L915-V942 HydrophobicContact CD2-CG2 3.27Å; L915-V942 HydrophobicContact CG-CG2 4.22Å; Q938-V942 WeakPolarHBondContact O-CG2 3.06Å; Q938-V942 PolarHBondContact O-N 3.33Å; Q938-V942 VanDerWaalsContact O-N 3.09Å; C939-V942 PolarHBondContact O-N 3.13Å; V940-V942 VanDerWaalsContact C-N 3.26Å; V940-V942 PolarHBondContact O-N 3.2Å; V942-N944 VanDerWaalsContact C-N 3.28Å; V942-N944 PolarHBondContact O-N 3.36Å; V942-E945 WeakPolarHBondContact O-CB 3.29Å; V942-E945 PolarHBondContact O-N 3.24Å; V942-E945 VanDerWaalsContact O-N 3.08Å; V942-L946 HydrophobicContact CG1-CD1 4.07Å; V942-L946 HydrophobicContact CG1-CG 4.17Å; V942-L946 VanDerWaalsContact O-CG 3.27Å; V942-L946 WeakPolarHBondContact O-CG 3.49Å; V942-L946 PolarHBondContact O-N 2.93Å; V942-Y959 HydrophobicContact CB-CD1 3.83Å; V942-Y959 HydrophobicContact CB-CE1 3.53Å; V942-Y959 HydrophobicContact CG1-CD1 3.57Å; V942-Y959 HydrophobicContact CG1-CD2 4.42Å; V942-Y959 HydrophobicContact CG1-CE1 3.14Å; V942-Y959 HydrophobicContact CG1-CE2 4.07Å; V942-Y959 HydrophobicContact CG1-CG 4.16Å; V942-Y959 HydrophobicContact CG2-CE1 4Å
943	C	59.8	Low	61	Low	3 Å²	3	49.2 Å²	49.2	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-44	174.5	-70.8	0	0	0	0	111.8	C939 V940 E945 L946 I947 L988	C939-C943 PolarHBondContact O-N 3.03Å; C939-C943 PolarHBondContact O-SG 3.14Å; V940-C943 PolarHBondContact O-N 3.35Å; C943-E945 VanDerWaalsContact C-N 3.33Å; C943-E945 PolarHBondContact O-N 2.77Å; C943-L946 PolarHBondContact O-N 3.38Å; C943-I947 WeakPolarHBondContact O-CD1 3.1Å; C943-I947 VanDerWaalsContact O-CG1 3.26Å; C943-I947 WeakPolarHBondContact O-CG1 3.29Å; C943-I947 PolarHBondContact O-N 3.29Å; C943-L988 HydrophobicContact CB-CD1 3.75Å; C943-L988 HydrophobicContact CB-CD2 4.09Å
944	N	61.3	Low	60.2	Low	43 Å²	43	50.8 Å²	50.8	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-43.8	175.8	-69	-46.2	0	0	0	111.7	V940 S941 V942 L946 I947 D948 Q984	V940-N944 PolarHBondContact O-N 3.49Å; V940-N944 PolarHBondContact O-ND2 3.08Å; S941-N944 PolarHBondContact O-N 3.38Å; V942-N944 VanDerWaalsContact C-N 3.28Å; V942-N944 PolarHBondContact O-N 3.36Å; N944-L946 VanDerWaalsContact C-N 3.3Å; N944-L946 PolarHBondContact O-N 2.91Å; N944-I947 PolarHBondContact O-N 2.89Å; N944-D948 WeakPolarHBondContact O-CB 3.17Å; N944-D948 PolarHBondContact O-N 2.85Å; N944-Q984 VanDerWaalsContact ND2-CD 3.35Å; N944-Q984 PolarHBondContact ND2-NE2 3.46Å; N944-Q984 VanDerWaalsContact ND2-NE2 3.16Å; N944-Q984 PolarHBondContact ND2-OE1 3.31Å; N944-Q984 PolarHBondContact OD1-OE1 2.87Å
945	E	64	Low	59.4	Low	40 Å²	40	48.4 Å²	48.4	19%	0.187	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-34.9	178.7	-158.7	-174.2	166.4	0	0	112.4	Y912 S941 V942 C943 K949	Y912-E945 PolarHBondContact OH-OE1 2.95Å; S941-E945 PolarHBondContact O-N 2.94Å; V942-E945 WeakPolarHBondContact O-CB 3.29Å; V942-E945 PolarHBondContact O-N 3.24Å; V942-E945 VanDerWaalsContact O-N 3.08Å; C943-E945 VanDerWaalsContact C-N 3.33Å; C943-E945 PolarHBondContact O-N 2.77Å; E945-K949 HydrophobicContact CG-CD 4.18Å; E945-K949 VanDerWaalsContact O-CB 3.32Å; E945-K949 WeakPolarHBondContact O-CB 3.28Å; E945-K949 VanDerWaalsContact O-CG 3.25Å; E945-K949 WeakPolarHBondContact O-CG 3.38Å; E945-K949 PolarHBondContact O-N 3.43Å; E945-K949 VanDerWaalsContact O-N 3.13Å; E945-K949 WeakPolarHBondContact OE1-CE 3.46Å; E945-K949 IonicContact OE1-NZ 3.54Å; E945-K949 PolarHBondContact OE1-NZ 3.09Å
946	L	61	Low	58.7	Low	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-41.3	175.7	-70	176	0	0	0	112.6	Y912 V942 C943 N944 Q950 A951 L955 Y959	Y912-L946 HydrophobicContact CD1-CD2 3.67Å; Y912-L946 HydrophobicContact CD1-CG 4.22Å; Y912-L946 HydrophobicContact CD2-CD2 3.54Å; Y912-L946 HydrophobicContact CE1-CD2 3.52Å; Y912-L946 HydrophobicContact CE1-CG 4Å; Y912-L946 HydrophobicContact CE2-CD2 3.37Å; Y912-L946 HydrophobicContact CG-CD2 3.7Å; V942-L946 HydrophobicContact CG1-CD1 4.07Å; V942-L946 HydrophobicContact CG1-CG 4.17Å; V942-L946 VanDerWaalsContact O-CG 3.27Å; V942-L946 WeakPolarHBondContact O-CG 3.49Å; V942-L946 PolarHBondContact O-N 2.93Å; C943-L946 PolarHBondContact O-N 3.38Å; N944-L946 VanDerWaalsContact C-N 3.3Å; N944-L946 PolarHBondContact O-N 2.91Å; L946-Q950 PolarHBondContact O-N 3.4Å; L946-A951 HydrophobicContact CB-CB 4Å; L946-A951 HydrophobicContact CD2-CB 3.42Å; L946-A951 VanDerWaalsContact CD2-CB 3.42Å; L946-A951 HydrophobicContact CG-CB 4.34Å; L946-A951 WeakPolarHBondContact O-CB 3.38Å; L946-A951 PolarHBondContact O-N 3.3Å; L946-L955 HydrophobicContact CD1-CD2 3.71Å; L946-L955 HydrophobicContact CD2-CD2 3.1Å; L946-L955 HydrophobicContact CG-CD2 4.05Å; L946-Y959 HydrophobicContact CD1-CD1 4.42Å; L946-Y959 HydrophobicContact CD1-CD2 3.49Å; L946-Y959 VanDerWaalsContact CD1-CD2 3.49Å; L946-Y959 HydrophobicContact CD1-CE2 4.14Å; L946-Y959 HydrophobicContact CD1-CG 3.61Å
947	I	56	Low	58.1	Low	51 Å²	51	52.2 Å²	52.2	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-52	174.1	-69.6	160.1	0	0	0	109.7	C943 N944 K949 Q950 L988 I991	C943-I947 WeakPolarHBondContact O-CD1 3.1Å; C943-I947 VanDerWaalsContact O-CG1 3.26Å; C943-I947 WeakPolarHBondContact O-CG1 3.29Å; C943-I947 PolarHBondContact O-N 3.29Å; N944-I947 PolarHBondContact O-N 2.89Å; I947-K949 PolarHBondContact O-N 2.75Å; I947-Q950 PolarHBondContact O-N 3.4Å; I947-L988 HydrophobicContact CD1-CD1 3.68Å; I947-L988 HydrophobicContact CD1-CG 3.92Å; I947-I991 HydrophobicContact CD1-CD1 3.57Å; I947-I991 HydrophobicContact CG1-CD1 4.12Å; I947-I991 HydrophobicContact CG2-CD1 3.88Å
948	D	59.4	Low	57.5	Low	137 Å²	137	48.3 Å²	48.3	73%	0.733	26%	0.256	S	S	*	.	H	α-helix	trans	-61	-31.2	-176.6	-77.9	-14.2	0	0	0	112.5	N944	N944-D948 WeakPolarHBondContact O-CB 3.17Å; N944-D948 PolarHBondContact O-N 2.85Å
949	K	59.2	Low	57.2	Low	100 Å²	100	45.7 Å²	45.7	44%	0.435	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.5	-175.6	-64.2	-173.4	-176.6	174.7	0	114.7	E945 I947 A951	E945-K949 HydrophobicContact CG-CD 4.18Å; E945-K949 VanDerWaalsContact O-CB 3.32Å; E945-K949 WeakPolarHBondContact O-CB 3.28Å; E945-K949 VanDerWaalsContact O-CG 3.25Å; E945-K949 WeakPolarHBondContact O-CG 3.38Å; E945-K949 PolarHBondContact O-N 3.43Å; E945-K949 VanDerWaalsContact O-N 3.13Å; E945-K949 WeakPolarHBondContact OE1-CE 3.46Å; E945-K949 IonicContact OE1-NZ 3.54Å; E945-K949 PolarHBondContact OE1-NZ 3.09Å; I947-K949 PolarHBondContact O-N 2.75Å; K949-A951 VanDerWaalsContact C-N 3.26Å; K949-A951 PolarHBondContact O-N 3.36Å
950	Q	53	Low	56.8	Low	185 Å²	185	46.3 Å²	46.3	86%	0.864	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	48.5	-176.3	-61.1	-177.3	-8.6	0	0	111.8	L946 I947	L946-Q950 PolarHBondContact O-N 3.4Å; I947-Q950 PolarHBondContact O-N 3.4Å
951	A	51.9	Low	56.5	Low	26 Å²	26	48.4 Å²	48.4	22%	0.215	26%	0.257	C	S	.	.			trans	-64.7	163.9	-176.3	0	0	0	0	0	112.7	L946 K949 E953	L946-A951 HydrophobicContact CB-CB 4Å; L946-A951 HydrophobicContact CD2-CB 3.42Å; L946-A951 VanDerWaalsContact CD2-CB 3.42Å; L946-A951 HydrophobicContact CG-CB 4.34Å; L946-A951 WeakPolarHBondContact O-CB 3.38Å; L946-A951 PolarHBondContact O-N 3.3Å; K949-A951 VanDerWaalsContact C-N 3.26Å; K949-A951 PolarHBondContact O-N 3.36Å; A951-E953 PolarHBondContact O-N 2.73Å
952	D	49.9	Very low	56.3	Low	57 Å²	57	45 Å²	45	31%	0.305	23%	0.233	S	C	.	.			trans	-54.9	132.5	178.5	-162	-46.1	0	0	0	110.9	K909 L954 L955 C956	K909-D952 IonicContact NZ-OD2 3.54Å; K909-D952 PolarHBondContact NZ-OD2 3.14Å; D952-L954 PolarHBondContact O-N 3.04Å; D952-L954 VanDerWaalsContact O-N 3.12Å; D952-L954 PolarHBondContact OD1-N 2.93Å; D952-L955 HydrophobicContact CB-CB 4.19Å; D952-L955 WeakPolarHBondContact O-CA 3.25Å; D952-L955 VanDerWaalsContact O-CB 3.29Å; D952-L955 WeakPolarHBondContact O-CB 3.32Å; D952-L955 PolarHBondContact O-N 2.89Å; D952-C956 PolarHBondContact O-N 3.14Å; D952-C956 VanDerWaalsContact O-N 3.14Å
953	E	48.4	Very low	56.2	Low	67 Å²	67	44.5 Å²	44.5	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-50.9	-40.4	-176.4	-67.4	179.5	-156	0	0	112.6	A951 L955 C956 V957 F995 R1070	A951-E953 PolarHBondContact O-N 2.73Å; E953-L955 PolarHBondContact O-N 3.47Å; E953-C956 PolarHBondContact O-N 3.11Å; E953-V957 WeakPolarHBondContact O-CG2 3.47Å; E953-V957 PolarHBondContact O-N 3Å; E953-F995 HydrophobicContact CG-CE1 3.6Å; E953-F995 HydrophobicContact CG-CZ 3.5Å; E953-F995 VanDerWaalsContact OE1-CE1 3.25Å; E953-F995 WeakPolarHBondContact OE1-CE1 3.26Å; E953-F995 VanDerWaalsContact OE1-CZ 3.23Å; E953-F995 WeakPolarHBondContact OE1-CZ 3.25Å; E953-R1070 IonicContact OE2-NH2 2.85Å
954	L	46.5	Very low	56.1	Low	59 Å²	59	44.9 Å²	44.9	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-37.9	179.8	-162.7	89.7	0	0	0	111.3	I848 W913 D952 V957 M958	I848-L954 HydrophobicContact CD1-CD2 3.8Å; I848-L954 HydrophobicContact CG1-CD2 4.42Å; W913-L954 HydrophobicContact CZ2-CD2 4.33Å; D952-L954 PolarHBondContact O-N 3.04Å; D952-L954 VanDerWaalsContact O-N 3.12Å; D952-L954 PolarHBondContact OD1-N 2.93Å; L954-V957 PolarHBondContact O-N 2.63Å; L954-M958 WeakPolarHBondContact O-CB 3.38Å; L954-M958 VanDerWaalsContact O-CG 3.25Å; L954-M958 WeakPolarHBondContact O-CG 3.42Å; L954-M958 PolarHBondContact O-N 3.05Å
955	L	53.4	Low	55.9	Low	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-78.9	-35.8	-172.6	-157	142.1	0	0	0	110.3	K909 Y912 L946 D952 E953 M958 Y959	K909-L955 HydrophobicContact CB-CD1 4.3Å; K909-L955 HydrophobicContact CG-CD1 4.46Å; Y912-L955 VanDerWaalsContact CB-CD2 3.44Å; Y912-L955 HydrophobicContact CD1-CD2 4.44Å; Y912-L955 HydrophobicContact CD2-CD1 4.43Å; Y912-L955 HydrophobicContact CD2-CD2 3.65Å; Y912-L955 HydrophobicContact CG-CD2 3.62Å; L946-L955 HydrophobicContact CD1-CD2 3.71Å; L946-L955 HydrophobicContact CD2-CD2 3.1Å; L946-L955 HydrophobicContact CG-CD2 4.05Å; D952-L955 HydrophobicContact CB-CB 4.19Å; D952-L955 WeakPolarHBondContact O-CA 3.25Å; D952-L955 VanDerWaalsContact O-CB 3.29Å; D952-L955 WeakPolarHBondContact O-CB 3.32Å; D952-L955 PolarHBondContact O-N 2.89Å; E953-L955 PolarHBondContact O-N 3.47Å; L955-M958 PolarHBondContact O-N 2.88Å; L955-Y959 HydrophobicContact CD2-CD2 4.33Å; L955-Y959 HydrophobicContact CD2-CE2 4.37Å; L955-Y959 WeakPolarHBondContact O-CD2 3.11Å; L955-Y959 PolarHBondContact O-N 3Å; L955-Y959 VanDerWaalsContact O-N 3.14Å
956	C	53.7	Low	55.8	Low	38 Å²	38	43.3 Å²	43.3	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-45.7	167.3	-65.6	0	0	0	0	112.2	D952 E953 M958 Y959 L960	D952-C956 PolarHBondContact O-N 3.14Å; D952-C956 VanDerWaalsContact O-N 3.14Å; E953-C956 PolarHBondContact O-N 3.11Å; C956-M958 VanDerWaalsContact C-N 3.34Å; C956-M958 PolarHBondContact O-N 3.48Å; C956-Y959 PolarHBondContact O-N 2.73Å; C956-L960 WeakPolarHBondContact O-CB 3.4Å; C956-L960 PolarHBondContact O-N 3.22Å
957	V	50.3	Low	55.8	Low	42 Å²	42	43.4 Å²	43.4	26%	0.255	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-39.7	178.1	171.7	0	0	0	0	111.7	E953 L954 L960 L961	E953-V957 WeakPolarHBondContact O-CG2 3.47Å; E953-V957 PolarHBondContact O-N 3Å; L954-V957 PolarHBondContact O-N 2.63Å; V957-L960 WeakPolarHBondContact O-CB 3.27Å; V957-L960 PolarHBondContact O-N 3.25Å; V957-L961 HydrophobicContact CG1-CD1 4.16Å; V957-L961 WeakPolarHBondContact O-CG 3.42Å; V957-L961 PolarHBondContact O-N 2.86Å
958	M	55.1	Low	55.8	Low	10 Å²	10	41.7 Å²	41.7	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-50.6	175.5	-81.4	179.3	74.5	0	0	112.2	W913 Y916 L954 L955 C956 L960 L961 L962	W913-M958 HydrophobicContact CD2-CE 3.94Å; W913-M958 HydrophobicContact CD2-SD 4.26Å; W913-M958 HydrophobicContact CE3-CE 3.44Å; W913-M958 VanDerWaalsContact CE3-CE 3.44Å; W913-M958 HydrophobicContact CE3-SD 4.28Å; W913-M958 HydrophobicContact CH2-CE 3.11Å; W913-M958 HydrophobicContact CH2-SD 3.25Å; W913-M958 WeakPolarHBondContact CH2-SD 3.42Å; W913-M958 HydrophobicContact CZ2-CE 3.62Å; W913-M958 HydrophobicContact CZ2-SD 3.16Å; W913-M958 WeakPolarHBondContact CZ2-SD 3.37Å; W913-M958 HydrophobicContact CZ3-CE 3Å; W913-M958 HydrophobicContact CZ3-SD 3.83Å; Y916-M958 HydrophobicContact CD1-CE 3.37Å; Y916-M958 HydrophobicContact CD2-CB 4.12Å; Y916-M958 HydrophobicContact CD2-CE 3.88Å; Y916-M958 HydrophobicContact CE1-CE 3.4Å; Y916-M958 HydrophobicContact CE2-CB 3.9Å; Y916-M958 HydrophobicContact CE2-CE 3.88Å; Y916-M958 VanDerWaalsContact CE2-O 3.26Å; Y916-M958 WeakPolarHBondContact CE2-O 3.37Å; Y916-M958 HydrophobicContact CG-CE 3.62Å; L954-M958 WeakPolarHBondContact O-CB 3.38Å; L954-M958 VanDerWaalsContact O-CG 3.25Å; L954-M958 WeakPolarHBondContact O-CG 3.42Å; L954-M958 PolarHBondContact O-N 3.05Å; L955-M958 PolarHBondContact O-N 2.88Å; C956-M958 VanDerWaalsContact C-N 3.34Å; C956-M958 PolarHBondContact O-N 3.48Å; M958-L960 PolarHBondContact O-N 3.17Å; M958-L961 WeakPolarHBondContact O-CB 3.44Å; M958-L961 PolarHBondContact O-N 2.81Å; M958-L961 VanDerWaalsContact O-N 3.08Å; M958-L962 PolarHBondContact O-N 3.08Å
959	Y	61.2	Low	55.9	Low	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-30.1	178.5	-89.9	-90.1	0	0	0	112.8	Y912 L915 Y916 L919 V942 L946 L955 C956 L962 L963	Y912-Y959 HydrophobicContact CD1-CE2 4.43Å; Y912-Y959 VanDerWaalsContact O-CE2 3.29Å; Y912-Y959 WeakPolarHBondContact O-CE2 3.45Å; Y912-Y959 PolarHBondContact O-OH 3.37Å; L915-Y959 VanDerWaalsContact CB-OH 3.26Å; L915-Y959 WeakPolarHBondContact CB-OH 3.44Å; Y916-Y959 HydrophobicContact CD2-CD2 4.37Å; Y916-Y959 HydrophobicContact CD2-CE2 4.39Å; Y916-Y959 PolarHBondContact N-OH 2.91Å; L919-Y959 HydrophobicContact CD1-CE1 3.95Å; V942-Y959 HydrophobicContact CB-CD1 3.83Å; V942-Y959 HydrophobicContact CB-CE1 3.53Å; V942-Y959 HydrophobicContact CG1-CD1 3.57Å; V942-Y959 HydrophobicContact CG1-CD2 4.42Å; V942-Y959 HydrophobicContact CG1-CE1 3.14Å; V942-Y959 HydrophobicContact CG1-CE2 4.07Å; V942-Y959 HydrophobicContact CG1-CG 4.16Å; V942-Y959 HydrophobicContact CG2-CE1 4Å; L946-Y959 HydrophobicContact CD1-CD1 4.42Å; L946-Y959 HydrophobicContact CD1-CD2 3.49Å; L946-Y959 VanDerWaalsContact CD1-CD2 3.49Å; L946-Y959 HydrophobicContact CD1-CE2 4.14Å; L946-Y959 HydrophobicContact CD1-CG 3.61Å; L955-Y959 HydrophobicContact CD2-CD2 4.33Å; L955-Y959 HydrophobicContact CD2-CE2 4.37Å; L955-Y959 WeakPolarHBondContact O-CD2 3.11Å; L955-Y959 PolarHBondContact O-N 3Å; L955-Y959 VanDerWaalsContact O-N 3.14Å; C956-Y959 PolarHBondContact O-N 2.73Å; Y959-L962 HydrophobicContact CD1-CD2 4.13Å; Y959-L962 HydrophobicContact CE1-CD2 4.17Å; Y959-L962 PolarHBondContact O-N 3.33Å; Y959-L963 VanDerWaalsContact O-CB 3.29Å; Y959-L963 WeakPolarHBondContact O-CB 3.36Å; Y959-L963 PolarHBondContact O-N 3.34Å
960	L	57.4	Low	56	Low	13 Å²	13	30.9 Å²	30.9	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-46.7	168.4	-169.7	103.3	0	0	0	111.2	C956 V957 M958 L962 L963 V964 L988 L992 L1066	C956-L960 WeakPolarHBondContact O-CB 3.4Å; C956-L960 PolarHBondContact O-N 3.22Å; V957-L960 WeakPolarHBondContact O-CB 3.27Å; V957-L960 PolarHBondContact O-N 3.25Å; M958-L960 PolarHBondContact O-N 3.17Å; L960-L962 VanDerWaalsContact C-N 3.33Å; L960-L962 PolarHBondContact O-N 2.9Å; L960-L963 WeakPolarHBondContact O-CB 3.44Å; L960-L963 PolarHBondContact O-N 3.36Å; L960-V964 WeakPolarHBondContact O-CB 3.16Å; L960-V964 VanDerWaalsContact O-CG2 3.25Å; L960-V964 WeakPolarHBondContact O-CG2 3.45Å; L960-V964 PolarHBondContact O-N 3.44Å; L960-L988 HydrophobicContact CB-CD2 4.38Å; L960-L988 HydrophobicContact CD1-CB 3.8Å; L960-L988 HydrophobicContact CD1-CD2 3.42Å; L960-L988 VanDerWaalsContact CD1-CD2 3.42Å; L960-L988 HydrophobicContact CD1-CG 4.21Å; L960-L988 HydrophobicContact CG-CD2 4.49Å; L960-L992 HydrophobicContact CD1-CD1 3.58Å; L960-L992 HydrophobicContact CD2-CD1 3.94Å; L960-L992 HydrophobicContact CG-CD1 4.32Å; L960-L1066 HydrophobicContact CD2-CD1 4.5Å
961	L	54.4	Low	56.2	Low	55 Å²	55	23.2 Å²	23.2	29%	0.288	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-39.5	176	-75.9	166.3	0	0	0	112.2	V957 M958 V964 N965	V957-L961 HydrophobicContact CG1-CD1 4.16Å; V957-L961 WeakPolarHBondContact O-CG 3.42Å; V957-L961 PolarHBondContact O-N 2.86Å; M958-L961 WeakPolarHBondContact O-CB 3.44Å; M958-L961 PolarHBondContact O-N 2.81Å; M958-L961 VanDerWaalsContact O-N 3.08Å; L961-V964 WeakPolarHBondContact O-CB 3.25Å; L961-V964 PolarHBondContact O-N 2.94Å; L961-N965 WeakPolarHBondContact O-CB 3.12Å; L961-N965 VanDerWaalsContact O-CG 3.23Å; L961-N965 PolarHBondContact O-N 3.15Å; L961-N965 PolarHBondContact O-ND2 2.92Å
962	L	61.9	Low	56.3	Low	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-43.6	174.2	178.8	68.7	0	0	0	111.3	Y916 L919 L920 M958 Y959 L960 V964 N965 T966	Y916-L962 HydrophobicContact CD2-CB 4.01Å; Y916-L962 HydrophobicContact CD2-CD2 3.91Å; Y916-L962 HydrophobicContact CD2-CG 4.46Å; Y916-L962 HydrophobicContact CE2-CB 3.66Å; Y916-L962 HydrophobicContact CE2-CD2 4.35Å; Y916-L962 HydrophobicContact CE2-CG 4.42Å; L919-L962 HydrophobicContact CB-CD1 4.27Å; L919-L962 HydrophobicContact CB-CD2 3.56Å; L919-L962 HydrophobicContact CB-CG 4.41Å; L919-L962 HydrophobicContact CD1-CD2 3.73Å; L919-L962 HydrophobicContact CG-CD2 4.3Å; L920-L962 HydrophobicContact CB-CD1 4.03Å; L920-L962 HydrophobicContact CD1-CD1 3.62Å; L920-L962 HydrophobicContact CG-CD1 4.45Å; M958-L962 PolarHBondContact O-N 3.08Å; Y959-L962 HydrophobicContact CD1-CD2 4.13Å; Y959-L962 HydrophobicContact CE1-CD2 4.17Å; Y959-L962 PolarHBondContact O-N 3.33Å; L960-L962 VanDerWaalsContact C-N 3.33Å; L960-L962 PolarHBondContact O-N 2.9Å; L962-V964 VanDerWaalsContact C-N 3.31Å; L962-V964 PolarHBondContact O-N 3.39Å; L962-N965 PolarHBondContact O-N 3.42Å; L962-T966 VanDerWaalsContact O-CB 3.31Å; L962-T966 WeakPolarHBondContact O-CB 3.4Å; L962-T966 PolarHBondContact O-N 2.85Å; L962-T966 PolarHBondContact O-OG1 2.95Å
963	L	62.3	Low	56.9	Low	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-41.6	174.8	-177.5	66.9	0	0	0	110.8	C939 V940 Y959 L960 T966 L967 V981 F985	C939-L963 HydrophobicContact CB-CB 4.43Å; C939-L963 HydrophobicContact CB-CD1 3.94Å; V940-L963 HydrophobicContact CG2-CD1 3.96Å; Y959-L963 VanDerWaalsContact O-CB 3.29Å; Y959-L963 WeakPolarHBondContact O-CB 3.36Å; Y959-L963 PolarHBondContact O-N 3.34Å; L960-L963 WeakPolarHBondContact O-CB 3.44Å; L960-L963 PolarHBondContact O-N 3.36Å; L963-T966 PolarHBondContact O-N 2.99Å; L963-L967 HydrophobicContact CG-CD1 4.24Å; L963-L967 WeakPolarHBondContact O-CB 3.29Å; L963-L967 VanDerWaalsContact O-CG 3.25Å; L963-L967 WeakPolarHBondContact O-CG 3.46Å; L963-L967 PolarHBondContact O-N 3.25Å; L963-V981 HydrophobicContact CD1-CG1 4.36Å; L963-F985 HydrophobicContact CD2-CB 4.49Å; L963-F985 HydrophobicContact CD2-CD2 4.23Å
964	V	57.2	Low	57.1	Low	10 Å²	10	33.3 Å²	33.3	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-50.1	174	158.9	0	0	0	0	111.3	L960 L961 L962 T966 L967 S968 F985 V1059	L960-V964 WeakPolarHBondContact O-CB 3.16Å; L960-V964 VanDerWaalsContact O-CG2 3.25Å; L960-V964 WeakPolarHBondContact O-CG2 3.45Å; L960-V964 PolarHBondContact O-N 3.44Å; L961-V964 WeakPolarHBondContact O-CB 3.25Å; L961-V964 PolarHBondContact O-N 2.94Å; L962-V964 VanDerWaalsContact C-N 3.31Å; L962-V964 PolarHBondContact O-N 3.39Å; V964-T966 VanDerWaalsContact C-N 3.27Å; V964-T966 PolarHBondContact O-N 3.28Å; V964-L967 WeakPolarHBondContact O-CB 3.45Å; V964-L967 PolarHBondContact O-N 3.14Å; V964-S968 PolarHBondContact O-N 3.26Å; V964-F985 HydrophobicContact CG2-CE2 3.73Å; V964-F985 HydrophobicContact CG2-CZ 4.45Å; V964-V1059 HydrophobicContact CB-CG1 3.9Å; V964-V1059 HydrophobicContact CG1-CG1 3.33Å; V964-V1059 HydrophobicContact CG2-CG1 3.65Å
965	N	57.8	Low	57.5	Low	50 Å²	50	32 Å²	32	27%	0.267	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-36.9	178.1	-71	-17.4	0	0	0	111	L923 L961 L962 S968 A969	L923-N965 HydrophobicContact CD2-CB 3.56Å; L961-N965 WeakPolarHBondContact O-CB 3.12Å; L961-N965 VanDerWaalsContact O-CG 3.23Å; L961-N965 PolarHBondContact O-N 3.15Å; L961-N965 PolarHBondContact O-ND2 2.92Å; L962-N965 PolarHBondContact O-N 3.42Å; N965-S968 PolarHBondContact O-N 2.63Å; N965-A969 WeakPolarHBondContact O-CB 3.39Å; N965-A969 PolarHBondContact O-N 3.5Å
966	T	62	Low	57.6	Low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-42.7	176	-52.9	0	0	0	0	111.4	L923 L935 A936 L962 L963 V964 A969 M970	L923-T966 HydrophobicContact CD1-CG2 4.17Å; L935-T966 HydrophobicContact CB-CG2 4.25Å; L935-T966 HydrophobicContact CD2-CG2 4.09Å; L935-T966 HydrophobicContact CG-CG2 4.26Å; A936-T966 HydrophobicContact CB-CG2 3.8Å; L962-T966 VanDerWaalsContact O-CB 3.31Å; L962-T966 WeakPolarHBondContact O-CB 3.4Å; L962-T966 PolarHBondContact O-N 2.85Å; L962-T966 PolarHBondContact O-OG1 2.95Å; L963-T966 PolarHBondContact O-N 2.99Å; V964-T966 VanDerWaalsContact C-N 3.27Å; V964-T966 PolarHBondContact O-N 3.28Å; T966-A969 PolarHBondContact O-N 2.87Å; T966-M970 VanDerWaalsContact O-CG 3.29Å; T966-M970 WeakPolarHBondContact O-CG 3.45Å; T966-M970 PolarHBondContact O-N 3.05Å
967	L	60.4	Low	57.6	Low	4 Å²	4	37.3 Å²	37.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-43.6	173.3	-77.8	170.2	0	0	0	111.8	L963 V964 M970 V971 L977 V981 F985	L963-L967 HydrophobicContact CG-CD1 4.24Å; L963-L967 WeakPolarHBondContact O-CB 3.29Å; L963-L967 VanDerWaalsContact O-CG 3.25Å; L963-L967 WeakPolarHBondContact O-CG 3.46Å; L963-L967 PolarHBondContact O-N 3.25Å; V964-L967 WeakPolarHBondContact O-CB 3.45Å; V964-L967 PolarHBondContact O-N 3.14Å; L967-M970 WeakPolarHBondContact O-CB 3.39Å; L967-M970 PolarHBondContact O-N 3.26Å; L967-V971 VanDerWaalsContact O-CG2 3.31Å; L967-V971 WeakPolarHBondContact O-CG2 3.43Å; L967-V971 PolarHBondContact O-N 3.46Å; L967-L977 HydrophobicContact CD2-CD1 4.12Å; L967-L977 HydrophobicContact CD2-CD2 3.9Å; L967-L977 HydrophobicContact CD2-CG 4.07Å; L967-V981 HydrophobicContact CD2-CG1 3.56Å; L967-V981 HydrophobicContact CG-CG1 4.28Å; L967-F985 HydrophobicContact CD1-CB 4.11Å; L967-F985 HydrophobicContact CD1-CD2 3.71Å; L967-F985 HydrophobicContact CD1-CE2 4.31Å; L967-F985 HydrophobicContact CD1-CG 3.89Å
968	S	57.6	Low	58	Low	16 Å²	16	38 Å²	38	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-48.5	173.6	-101.7	0	0	0	0	111.2	V964 N965 M970 V971 E972 H1056	V964-S968 PolarHBondContact O-N 3.26Å; N965-S968 PolarHBondContact O-N 2.63Å; S968-M970 VanDerWaalsContact C-N 3.32Å; S968-M970 PolarHBondContact O-N 2.88Å; S968-V971 WeakPolarHBondContact O-CB 3.33Å; S968-V971 PolarHBondContact O-N 3.08Å; S968-V971 VanDerWaalsContact O-N 3.1Å; S968-E972 WeakPolarHBondContact O-CG 3.19Å; S968-E972 PolarHBondContact O-N 3.19Å; S968-H1056 PolarHBondContact OG-CD2 3.47Å; S968-H1056 PolarHBondContact OG-NE2 3.31Å
969	A	60.4	Low	57.9	Low	10 Å²	10	42.5 Å²	42.5	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-36.5	178	0	0	0	0	0	112.4	L923 N965 T966 V971 E972 R973	L923-A969 HydrophobicContact CD1-CB 3.61Å; L923-A969 HydrophobicContact CG-CB 4.44Å; N965-A969 WeakPolarHBondContact O-CB 3.39Å; N965-A969 PolarHBondContact O-N 3.5Å; T966-A969 PolarHBondContact O-N 2.87Å; A969-V971 VanDerWaalsContact C-N 3.32Å; A969-E972 PolarHBondContact O-N 2.99Å; A969-R973 VanDerWaalsContact O-CB 3.24Å; A969-R973 WeakPolarHBondContact O-CB 3.26Å; A969-R973 VanDerWaalsContact O-CG 3.29Å; A969-R973 WeakPolarHBondContact O-CG 3.15Å; A969-R973 PolarHBondContact O-N 3.4Å
970	M	62.1	Low	57.5	Low	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-40.6	172.5	-75.4	-177.1	79.3	0	0	111.5	A933 A936 T966 L967 S968 C974 C975 T976	A933-M970 HydrophobicContact CB-CE 4.18Å; A936-M970 HydrophobicContact CB-SD 3.63Å; T966-M970 VanDerWaalsContact O-CG 3.29Å; T966-M970 WeakPolarHBondContact O-CG 3.45Å; T966-M970 PolarHBondContact O-N 3.05Å; L967-M970 WeakPolarHBondContact O-CB 3.39Å; L967-M970 PolarHBondContact O-N 3.26Å; S968-M970 VanDerWaalsContact C-N 3.32Å; S968-M970 PolarHBondContact O-N 2.88Å; M970-C974 PolarHBondContact O-N 3.49Å; M970-C975 HydrophobicContact CB-CB 4.11Å; M970-C975 HydrophobicContact CE-CB 4.21Å; M970-C975 HydrophobicContact CG-CB 4.28Å; M970-C975 PolarHBondContact O-N 3.28Å; M970-T976 WeakPolarHBondContact CE-O 3.4Å
971	V	55.4	Low	57.5	Low	23 Å²	23	43.9 Å²	43.9	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-46.4	176.5	173.2	0	0	0	0	110.8	L967 S968 A969 R973 C974 L977 M1052 L1055 H1056	L967-V971 VanDerWaalsContact O-CG2 3.31Å; L967-V971 WeakPolarHBondContact O-CG2 3.43Å; L967-V971 PolarHBondContact O-N 3.46Å; S968-V971 WeakPolarHBondContact O-CB 3.33Å; S968-V971 PolarHBondContact O-N 3.08Å; S968-V971 VanDerWaalsContact O-N 3.1Å; A969-V971 VanDerWaalsContact C-N 3.32Å; V971-R973 VanDerWaalsContact C-N 3.34Å; V971-R973 PolarHBondContact O-N 2.92Å; V971-C974 PolarHBondContact O-N 3.02Å; V971-L977 HydrophobicContact CG2-CD1 3.8Å; V971-M1052 HydrophobicContact CG2-SD 4.45Å; V971-L1055 HydrophobicContact CG2-CD2 4.04Å; V971-H1056 HydrophobicContact CG1-CB 4.32Å
972	E	54.4	Low	57.6	Low	141 Å²	141	42.8 Å²	42.8	66%	0.659	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-38.1	178	-75.2	-177.2	165.1	0	0	112.5	S968 A969 C974	S968-E972 WeakPolarHBondContact O-CG 3.19Å; S968-E972 PolarHBondContact O-N 3.19Å; A969-E972 PolarHBondContact O-N 2.99Å; E972-C974 VanDerWaalsContact C-N 3.32Å; E972-C974 PolarHBondContact O-N 3.23Å
973	R	62.6	Low	57.3	Low	108 Å²	108	49.4 Å²	49.4	41%	0.408	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	11.6	-179.5	-63.4	-179.2	-179	-177.4	1.6	113.8	L923 A969 V971 C975	L923-R973 PolarHBondContact O-NH2 2.83Å; A969-R973 VanDerWaalsContact O-CB 3.24Å; A969-R973 WeakPolarHBondContact O-CB 3.26Å; A969-R973 VanDerWaalsContact O-CG 3.29Å; A969-R973 WeakPolarHBondContact O-CG 3.15Å; A969-R973 PolarHBondContact O-N 3.4Å; V971-R973 VanDerWaalsContact C-N 3.34Å; V971-R973 PolarHBondContact O-N 2.92Å; R973-C975 PolarHBondContact O-N 3.34Å
974	C	52.1	Low	57	Low	113 Å²	113	51.8 Å²	51.8	76%	0.764	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	30.4	-179.2	-67.1	0	0	0	0	114.4	M970 V971 E972	M970-C974 PolarHBondContact O-N 3.49Å; V971-C974 PolarHBondContact O-N 3.02Å; E972-C974 VanDerWaalsContact C-N 3.32Å; E972-C974 PolarHBondContact O-N 3.23Å
975	C	56.6	Low	57	Low	31 Å²	31	51.4 Å²	51.4	21%	0.209	29%	0.286	C	S	.	.			trans	-75.1	147.2	177.2	-57	0	0	0	0	110.4	T932 M970 R973 L977	T932-C975 PolarHBondContact OG1-SG 2.99Å; M970-C975 HydrophobicContact CB-CB 4.11Å; M970-C975 HydrophobicContact CE-CB 4.21Å; M970-C975 HydrophobicContact CG-CB 4.28Å; M970-C975 PolarHBondContact O-N 3.28Å; R973-C975 PolarHBondContact O-N 3.34Å; C975-L977 PolarHBondContact O-N 2.89Å; C975-L977 VanDerWaalsContact O-N 3.14Å
976	T	55	Low	56.9	Low	127 Å²	127	51.6 Å²	51.6	78%	0.779	29%	0.286	S	S	*	.			trans	-70	111	176.2	13.7	0	0	0	0	109.7	M970 T978	M970-T976 WeakPolarHBondContact CE-O 3.4Å; T976-T978 PolarHBondContact O-N 2.86Å; T976-T978 VanDerWaalsContact O-N 3.1Å
977	L	54.3	Low	56.5	Low	29 Å²	29	56.2 Å²	56.2	15%	0.152	31%	0.311	C	S	.	.			trans	-66.4	109	175.1	-135.9	131.9	0	0	0	108.5	L967 V971 C975 F982 M1052 L1055	L967-L977 HydrophobicContact CD2-CD1 4.12Å; L967-L977 HydrophobicContact CD2-CD2 3.9Å; L967-L977 HydrophobicContact CD2-CG 4.07Å; V971-L977 HydrophobicContact CG2-CD1 3.8Å; C975-L977 PolarHBondContact O-N 2.89Å; C975-L977 VanDerWaalsContact O-N 3.14Å; L977-F982 HydrophobicContact CD2-CB 3.89Å; L977-F982 HydrophobicContact CD2-CD2 4.12Å; L977-F982 HydrophobicContact CD2-CG 4.42Å; L977-M1052 HydrophobicContact CD1-SD 4.45Å; L977-L1055 HydrophobicContact CD1-CD2 3.41Å; L977-L1055 VanDerWaalsContact CD1-CD2 3.41Å; L977-L1055 HydrophobicContact CD2-CD2 4.26Å; L977-L1055 HydrophobicContact CG-CD2 4.47Å
978	T	58.6	Low	56.1	Low	58 Å²	58	56.5 Å²	56.5	36%	0.356	31%	0.312	S	S	.	.			trans	-72.7	140.6	-178.3	65.3	0	0	0	0	109.8	T976 G980 V981 F982	T976-T978 PolarHBondContact O-N 2.86Å; T976-T978 VanDerWaalsContact O-N 3.1Å; T978-G980 PolarHBondContact O-N 3.24Å; T978-V981 PolarHBondContact O-N 3.45Å; T978-V981 VanDerWaalsContact OG1-CG2 3.27Å; T978-V981 WeakPolarHBondContact OG1-CG2 3.32Å; T978-F982 PolarHBondContact O-N 3.46Å
979	V	52.3	Low	55.9	Low	104 Å²	104	57.6 Å²	57.6	63%	0.63	32%	0.32	S	S	*	.	H	α-helix	trans	-53.4	-30.1	176.8	174.2	0	0	0	0	111.8	K983	V979-K983 HydrophobicContact CG1-CD 4.09Å; V979-K983 HydrophobicContact CG1-CG 4.29Å; V979-K983 WeakPolarHBondContact O-CB 3.26Å; V979-K983 VanDerWaalsContact O-CG 3.32Å; V979-K983 WeakPolarHBondContact O-CG 3.39Å; V979-K983 PolarHBondContact O-N 2.81Å
980	G	53.7	Low	55.4	Low	42 Å²	42	58.5 Å²	58.5	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-47.7	175.6	0	0	0	0	0	113.2	T978 Q984	T978-G980 PolarHBondContact O-N 3.24Å; G980-Q984 WeakPolarHBondContact O-CG 3.34Å; G980-Q984 PolarHBondContact O-N 3.34Å
981	V	55.4	Low	54.8	Low	1 Å²	1	61.6 Å²	61.6	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-41.6	180	179.5	0	0	0	0	110.6	A936 V940 L963 L967 T978 Q984 F985	A936-V981 HydrophobicContact CB-CG1 4.06Å; A936-V981 HydrophobicContact CB-CG2 3.9Å; V940-V981 HydrophobicContact CG2-CG1 4.49Å; L963-V981 HydrophobicContact CD1-CG1 4.36Å; L967-V981 HydrophobicContact CD2-CG1 3.56Å; L967-V981 HydrophobicContact CG-CG1 4.28Å; T978-V981 PolarHBondContact O-N 3.45Å; T978-V981 VanDerWaalsContact OG1-CG2 3.27Å; T978-V981 WeakPolarHBondContact OG1-CG2 3.32Å; V981-Q984 PolarHBondContact O-N 2.8Å; V981-F985 PolarHBondContact O-N 2.75Å
982	F	56.5	Low	54.5	Low	31 Å²	31	62.2 Å²	62.2	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-66.1	-43.5	178.6	-171.1	-107.8	0	0	0	113	L977 T978 Q984 F985 L986 L1055	L977-F982 HydrophobicContact CD2-CB 3.89Å; L977-F982 HydrophobicContact CD2-CD2 4.12Å; L977-F982 HydrophobicContact CD2-CG 4.42Å; T978-F982 PolarHBondContact O-N 3.46Å; F982-Q984 VanDerWaalsContact C-N 3.26Å; F982-Q984 PolarHBondContact O-N 2.87Å; F982-F985 PolarHBondContact O-N 3.28Å; F982-L986 HydrophobicContact CD1-CD1 3.86Å; F982-L986 HydrophobicContact CE1-CD1 3.47Å; F982-L986 VanDerWaalsContact CE1-CD1 3.47Å; F982-L986 HydrophobicContact CE1-CG 4.21Å; F982-L986 HydrophobicContact CZ-CD1 4Å; F982-L986 HydrophobicContact CZ-CG 4.34Å; F982-L986 PolarHBondContact O-N 2.94Å; F982-L986 VanDerWaalsContact O-N 3.09Å; F982-L1055 HydrophobicContact CD2-CD1 4.44Å; F982-L1055 HydrophobicContact CE2-CD1 3.76Å
983	K	56.4	Low	54.1	Low	140 Å²	140	58.8 Å²	58.8	61%	0.609	33%	0.332	S	S	*	.	H	α-helix	trans	-59	-38.4	175.6	-82.8	-177.3	176.6	-175.4	0	112.2	V979 L987	V979-K983 HydrophobicContact CG1-CD 4.09Å; V979-K983 HydrophobicContact CG1-CG 4.29Å; V979-K983 WeakPolarHBondContact O-CB 3.26Å; V979-K983 VanDerWaalsContact O-CG 3.32Å; V979-K983 WeakPolarHBondContact O-CG 3.39Å; V979-K983 PolarHBondContact O-N 2.81Å; K983-L987 WeakPolarHBondContact O-CB 3.41Å; K983-L987 PolarHBondContact O-N 3.46Å
984	Q	55.9	Low	53.4	Low	49 Å²	49	58.1 Å²	58.1	23%	0.229	34%	0.34	C	S	.	.	H	α-helix	trans	-76.5	-34.3	-179.9	-71.8	-152.9	11.8	0	0	113.4	V940 N944 G980 V981 F982 L986 L987 L988	V940-Q984 HydrophobicContact CG1-CG 4.46Å; V940-Q984 HydrophobicContact CG2-CB 3.97Å; N944-Q984 VanDerWaalsContact ND2-CD 3.35Å; N944-Q984 PolarHBondContact ND2-NE2 3.46Å; N944-Q984 VanDerWaalsContact ND2-NE2 3.16Å; N944-Q984 PolarHBondContact ND2-OE1 3.31Å; N944-Q984 PolarHBondContact OD1-OE1 2.87Å; G980-Q984 WeakPolarHBondContact O-CG 3.34Å; G980-Q984 PolarHBondContact O-N 3.34Å; V981-Q984 PolarHBondContact O-N 2.8Å; F982-Q984 VanDerWaalsContact C-N 3.26Å; F982-Q984 PolarHBondContact O-N 2.87Å; Q984-L986 VanDerWaalsContact C-N 3.32Å; Q984-L986 PolarHBondContact O-N 3.37Å; Q984-L987 PolarHBondContact O-N 2.9Å; Q984-L988 PolarHBondContact O-N 3.42Å
985	F	56.9	Low	53.2	Low	3 Å²	3	57 Å²	57	1%	0.013	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-46.7	169.9	178.9	-104.2	0	0	0	111.3	L963 V964 L967 V981 F982 L987 L988 C989 F1058 V1059	L963-F985 HydrophobicContact CD2-CB 4.49Å; L963-F985 HydrophobicContact CD2-CD2 4.23Å; V964-F985 HydrophobicContact CG2-CE2 3.73Å; V964-F985 HydrophobicContact CG2-CZ 4.45Å; L967-F985 HydrophobicContact CD1-CB 4.11Å; L967-F985 HydrophobicContact CD1-CD2 3.71Å; L967-F985 HydrophobicContact CD1-CE2 4.31Å; L967-F985 HydrophobicContact CD1-CG 3.89Å; V981-F985 PolarHBondContact O-N 2.75Å; F982-F985 PolarHBondContact O-N 3.28Å; F985-L987 PolarHBondContact O-N 3.28Å; F985-L988 PolarHBondContact O-N 3.03Å; F985-C989 PolarHBondContact O-N 2.98Å; F985-C989 PolarHBondContact O-SG 2.81Å; F985-F1058 HydrophobicContact CE1-CE1 4.36Å; F985-V1059 HydrophobicContact CE1-CG2 4.13Å; F985-V1059 HydrophobicContact CZ-CG1 4.36Å; F985-V1059 HydrophobicContact CZ-CG2 3.98Å
986	L	56.8	Low	52.7	Low	53 Å²	53	56.9 Å²	56.9	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-39.9	175.6	-70.3	173.9	0	0	0	112.9	F982 Q984 C989 G990	F982-L986 HydrophobicContact CD1-CD1 3.86Å; F982-L986 HydrophobicContact CE1-CD1 3.47Å; F982-L986 VanDerWaalsContact CE1-CD1 3.47Å; F982-L986 HydrophobicContact CE1-CG 4.21Å; F982-L986 HydrophobicContact CZ-CD1 4Å; F982-L986 HydrophobicContact CZ-CG 4.34Å; F982-L986 PolarHBondContact O-N 2.94Å; F982-L986 VanDerWaalsContact O-N 3.09Å; Q984-L986 VanDerWaalsContact C-N 3.32Å; Q984-L986 PolarHBondContact O-N 3.37Å; L986-C989 PolarHBondContact O-N 3.36Å; L986-G990 PolarHBondContact O-N 3.05Å
987	L	53.9	Low	52.3	Low	98 Å²	98	51.9 Å²	51.9	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-43.2	175.3	-169.7	76.8	0	0	0	111.4	K983 Q984 F985 G990 I991	K983-L987 WeakPolarHBondContact O-CB 3.41Å; K983-L987 PolarHBondContact O-N 3.46Å; Q984-L987 PolarHBondContact O-N 2.9Å; F985-L987 PolarHBondContact O-N 3.28Å; L987-G990 PolarHBondContact O-N 3.3Å; L987-I991 HydrophobicContact CD2-CD1 4.46Å; L987-I991 HydrophobicContact CG-CD1 4.09Å; L987-I991 VanDerWaalsContact O-CG1 3.31Å; L987-I991 WeakPolarHBondContact O-CG1 3.34Å; L987-I991 PolarHBondContact O-N 2.92Å
988	L	52	Low	52	Low	10 Å²	10	54.2 Å²	54.2	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-41.8	176.1	-106	95.9	0	0	0	112.3	C943 I947 L960 Q984 F985 G990 I991 L992	C943-L988 HydrophobicContact CB-CD1 3.75Å; C943-L988 HydrophobicContact CB-CD2 4.09Å; I947-L988 HydrophobicContact CD1-CD1 3.68Å; I947-L988 HydrophobicContact CD1-CG 3.92Å; L960-L988 HydrophobicContact CB-CD2 4.38Å; L960-L988 HydrophobicContact CD1-CB 3.8Å; L960-L988 HydrophobicContact CD1-CD2 3.42Å; L960-L988 VanDerWaalsContact CD1-CD2 3.42Å; L960-L988 HydrophobicContact CD1-CG 4.21Å; L960-L988 HydrophobicContact CG-CD2 4.49Å; Q984-L988 PolarHBondContact O-N 3.42Å; F985-L988 PolarHBondContact O-N 3.03Å; L988-G990 VanDerWaalsContact C-N 3.32Å; L988-G990 PolarHBondContact O-N 3.3Å; L988-I991 PolarHBondContact O-N 3.03Å; L988-L992 WeakPolarHBondContact O-CB 3.36Å; L988-L992 PolarHBondContact O-N 3.31Å
989	C	52.3	Low	51.5	Low	39 Å²	39	58 Å²	58	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-43.5	174.7	-68.1	0	0	0	0	111.5	F985 L986 L992 E993	F985-C989 PolarHBondContact O-N 2.98Å; F985-C989 PolarHBondContact O-SG 2.81Å; L986-C989 PolarHBondContact O-N 3.36Å; C989-L992 PolarHBondContact O-N 3.17Å; C989-E993 PolarHBondContact O-N 3.01Å
990	G	49.9	Very low	51.3	Low	28 Å²	28	55.2 Å²	55.2	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-36	176.1	0	0	0	0	0	113.8	L986 L987 L988 E993 V994	L986-G990 PolarHBondContact O-N 3.05Å; L987-G990 PolarHBondContact O-N 3.3Å; L988-G990 VanDerWaalsContact C-N 3.32Å; L988-G990 PolarHBondContact O-N 3.3Å; G990-E993 WeakPolarHBondContact O-CB 3.15Å; G990-E993 PolarHBondContact O-N 3.28Å; G990-V994 WeakPolarHBondContact O-CG2 3.44Å; G990-V994 PolarHBondContact O-N 3.38Å; G990-V994 VanDerWaalsContact O-N 3.09Å
991	I	49.7	Very low	50.9	Low	65 Å²	65	58.6 Å²	58.6	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-40.8	174.7	-69.1	164.4	0	0	0	110.9	I947 L987 L988 E993 V994 F995	I947-I991 HydrophobicContact CD1-CD1 3.57Å; I947-I991 HydrophobicContact CG1-CD1 4.12Å; I947-I991 HydrophobicContact CG2-CD1 3.88Å; L987-I991 HydrophobicContact CD2-CD1 4.46Å; L987-I991 HydrophobicContact CG-CD1 4.09Å; L987-I991 VanDerWaalsContact O-CG1 3.31Å; L987-I991 WeakPolarHBondContact O-CG1 3.34Å; L987-I991 PolarHBondContact O-N 2.92Å; L988-I991 PolarHBondContact O-N 3.03Å; I991-E993 VanDerWaalsContact C-N 3.34Å; I991-V994 PolarHBondContact O-N 2.9Å; I991-F995 WeakPolarHBondContact O-CB 3.26Å; I991-F995 PolarHBondContact O-N 3.27Å
992	L	48.4	Very low	50.5	Low	36 Å²	36	61.7 Å²	61.7	19%	0.188	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-40.3	174.4	-96.3	148.6	0	0	0	112	L960 L988 C989 F995 I996	L960-L992 HydrophobicContact CD1-CD1 3.58Å; L960-L992 HydrophobicContact CD2-CD1 3.94Å; L960-L992 HydrophobicContact CG-CD1 4.32Å; L988-L992 WeakPolarHBondContact O-CB 3.36Å; L988-L992 PolarHBondContact O-N 3.31Å; C989-L992 PolarHBondContact O-N 3.17Å; L992-F995 PolarHBondContact O-N 2.83Å; L992-I996 WeakPolarHBondContact O-CB 3.23Å; L992-I996 WeakPolarHBondContact O-CD1 3.18Å; L992-I996 WeakPolarHBondContact O-CG1 3.21Å; L992-I996 PolarHBondContact O-N 3.38Å
993	E	47.3	Very low	50	Low	69 Å²	69	62.3 Å²	62.3	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-50.7	174.4	-171.9	-173.8	167.3	0	0	111.3	C989 G990 I991 F995 I996 V997 I1036	C989-E993 PolarHBondContact O-N 3.01Å; G990-E993 WeakPolarHBondContact O-CB 3.15Å; G990-E993 PolarHBondContact O-N 3.28Å; I991-E993 VanDerWaalsContact C-N 3.34Å; E993-F995 VanDerWaalsContact C-N 3.28Å; E993-F995 PolarHBondContact O-N 2.92Å; E993-I996 PolarHBondContact O-N 2.86Å; E993-V997 VanDerWaalsContact O-CG2 3.29Å; E993-V997 WeakPolarHBondContact O-CG2 3.43Å; E993-V997 PolarHBondContact O-N 3.38Å; E993-I1036 VanDerWaalsContact CD-CD1 3.44Å; E993-I1036 HydrophobicContact CG-CD1 4.25Å; E993-I1036 WeakPolarHBondContact OE1-CD1 3.48Å
994	V	47	Very low	49.3	Very low	95 Å²	95	61.9 Å²	61.9	58%	0.576	33%	0.327	S	S	*	.	H	α-helix	trans	-60.5	-40.7	176.5	173.3	0	0	0	0	111.1	G990 I991 V997 T998	G990-V994 WeakPolarHBondContact O-CG2 3.44Å; G990-V994 PolarHBondContact O-N 3.38Å; G990-V994 VanDerWaalsContact O-N 3.09Å; I991-V994 PolarHBondContact O-N 2.9Å; V994-V997 PolarHBondContact O-N 3.03Å; V994-T998 WeakPolarHBondContact O-CB 3.32Å; V994-T998 PolarHBondContact O-N 3.23Å; V994-T998 PolarHBondContact O-OG1 3.31Å
995	F	47.8	Very low	48.8	Very low	90 Å²	90	61.2 Å²	61.2	40%	0.395	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-43.7	179.3	-166.7	-88.6	0	0	0	111.9	E953 I991 L992 E993 T998 R999	E953-F995 HydrophobicContact CG-CE1 3.6Å; E953-F995 HydrophobicContact CG-CZ 3.5Å; E953-F995 VanDerWaalsContact OE1-CE1 3.25Å; E953-F995 WeakPolarHBondContact OE1-CE1 3.26Å; E953-F995 VanDerWaalsContact OE1-CZ 3.23Å; E953-F995 WeakPolarHBondContact OE1-CZ 3.25Å; I991-F995 WeakPolarHBondContact O-CB 3.26Å; I991-F995 PolarHBondContact O-N 3.27Å; L992-F995 PolarHBondContact O-N 2.83Å; E993-F995 VanDerWaalsContact C-N 3.28Å; E993-F995 PolarHBondContact O-N 2.92Å; F995-T998 PolarHBondContact O-N 3.16Å; F995-R999 HydrophobicContact CE1-CG 4.26Å; F995-R999 WeakPolarHBondContact O-CB 3.39Å; F995-R999 PolarHBondContact O-N 3.44Å
996	I	46.9	Very low	48.4	Very low	27 Å²	27	63.7 Å²	63.7	14%	0.138	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-45.2	176.4	-70.6	164.1	0	0	0	110.6	L992 E993 T998 R999 L1000 Y1032 L1066	L992-I996 WeakPolarHBondContact O-CB 3.23Å; L992-I996 WeakPolarHBondContact O-CD1 3.18Å; L992-I996 WeakPolarHBondContact O-CG1 3.21Å; L992-I996 PolarHBondContact O-N 3.38Å; E993-I996 PolarHBondContact O-N 2.86Å; I996-T998 PolarHBondContact O-N 2.96Å; I996-R999 PolarHBondContact O-N 3.23Å; I996-L1000 HydrophobicContact CG2-CD1 3.77Å; I996-L1000 HydrophobicContact CG2-CG 4.5Å; I996-L1000 WeakPolarHBondContact O-CB 3.41Å; I996-L1000 WeakPolarHBondContact O-CG 3.47Å; I996-L1000 PolarHBondContact O-N 3.46Å; I996-Y1032 HydrophobicContact CD1-CE1 3.72Å; I996-L1066 HydrophobicContact CD1-CD2 4.43Å
997	V	46.3	Very low	47.8	Very low	23 Å²	23	66 Å²	66	14%	0.139	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-45.3	176.6	171.5	0	0	0	0	111.3	E993 V994 R999 L1000 Q1001 M1020 F1029	E993-V997 VanDerWaalsContact O-CG2 3.29Å; E993-V997 WeakPolarHBondContact O-CG2 3.43Å; E993-V997 PolarHBondContact O-N 3.38Å; V994-V997 PolarHBondContact O-N 3.03Å; V997-R999 VanDerWaalsContact C-N 3.31Å; V997-R999 PolarHBondContact O-N 3.42Å; V997-L1000 PolarHBondContact O-N 3.09Å; V997-Q1001 WeakPolarHBondContact O-CG 3.41Å; V997-Q1001 PolarHBondContact O-N 3.33Å; V997-M1020 HydrophobicContact CG2-CE 4.04Å; V997-F1029 HydrophobicContact CG2-CZ 4.08Å
998	T	48.1	Very low	47.5	Very low	78 Å²	78	67.9 Å²	67.9	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-35.6	179.6	-47.1	0	0	0	0	111.5	V994 F995 I996 S1002	V994-T998 WeakPolarHBondContact O-CB 3.32Å; V994-T998 PolarHBondContact O-N 3.23Å; V994-T998 PolarHBondContact O-OG1 3.31Å; F995-T998 PolarHBondContact O-N 3.16Å; I996-T998 PolarHBondContact O-N 2.96Å; T998-S1002 PolarHBondContact O-N 2.95Å
999	R	47	Very low	47.3	Very low	136 Å²	136	72.6 Å²	72.6	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-72.2	-41.6	177.7	-115.2	-70.3	-171.8	168.6	-0.1	112.5	F995 I996 V997 Q1001 S1002 D1003	F995-R999 HydrophobicContact CE1-CG 4.26Å; F995-R999 WeakPolarHBondContact O-CB 3.39Å; F995-R999 PolarHBondContact O-N 3.44Å; I996-R999 PolarHBondContact O-N 3.23Å; V997-R999 VanDerWaalsContact C-N 3.31Å; V997-R999 PolarHBondContact O-N 3.42Å; R999-Q1001 VanDerWaalsContact C-N 3.3Å; R999-Q1001 PolarHBondContact O-N 3.26Å; R999-S1002 WeakPolarHBondContact CA-OG 3.26Å; R999-S1002 PolarHBondContact O-N 3.38Å; R999-S1002 PolarHBondContact O-OG 3.41Å; R999-D1003 PolarHBondContact O-N 3.17Å
1000	L	47.9	Very low	47.2	Very low	46 Å²	46	74.2 Å²	74.2	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-38.8	173.9	-77.5	162.6	0	0	0	111.5	I996 V997 S1002 D1003 L1006	I996-L1000 HydrophobicContact CG2-CD1 3.77Å; I996-L1000 HydrophobicContact CG2-CG 4.5Å; I996-L1000 WeakPolarHBondContact O-CB 3.41Å; I996-L1000 WeakPolarHBondContact O-CG 3.47Å; I996-L1000 PolarHBondContact O-N 3.46Å; V997-L1000 PolarHBondContact O-N 3.09Å; L1000-S1002 PolarHBondContact O-N 3.23Å; L1000-D1003 PolarHBondContact O-N 2.68Å; L1000-L1006 HydrophobicContact CB-CD1 4.48Å; L1000-L1006 HydrophobicContact CD2-CD1 4Å; L1000-L1006 WeakPolarHBondContact O-CD1 3.45Å
1001	Q	46.9	Very low	47	Very low	114 Å²	114	76.7 Å²	76.7	53%	0.533	41%	0.409	S	S	.	.	H	α-helix	trans	-66.8	-22.1	174	-73.4	175.1	-16.8	0	0	113.7	V997 R999	V997-Q1001 WeakPolarHBondContact O-CG 3.41Å; V997-Q1001 PolarHBondContact O-N 3.33Å; R999-Q1001 VanDerWaalsContact C-N 3.3Å; R999-Q1001 PolarHBondContact O-N 3.26Å
1002	S	47.3	Very low	46.9	Very low	65 Å²	65	83 Å²	83	46%	0.455	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.5	-179.3	72.3	0	0	0	0	114.5	T998 R999 L1000 L1004	T998-S1002 PolarHBondContact O-N 2.95Å; R999-S1002 WeakPolarHBondContact CA-OG 3.26Å; R999-S1002 PolarHBondContact O-N 3.38Å; R999-S1002 PolarHBondContact O-OG 3.41Å; L1000-S1002 PolarHBondContact O-N 3.23Å; S1002-L1004 PolarHBondContact O-N 3.48Å
1003	D	46	Very low	46.7	Very low	45 Å²	45	87.2 Å²	87.2	24%	0.241	46%	0.456	C	S	.	.			trans	-77.6	117.4	-177.6	-150.7	-44.2	0	0	0	111.1	R999 L1000 S1005 L1006 Q1007 I1077	R999-D1003 PolarHBondContact O-N 3.17Å; L1000-D1003 PolarHBondContact O-N 2.68Å; D1003-S1005 VanDerWaalsContact CG-OG 3.25Å; D1003-S1005 PolarHBondContact O-N 3.16Å; D1003-S1005 PolarHBondContact OD1-N 2.81Å; D1003-S1005 PolarHBondContact OD1-OG 2.99Å; D1003-L1006 HydrophobicContact CB-CD1 4.15Å; D1003-L1006 PolarHBondContact O-N 2.82Å; D1003-L1006 VanDerWaalsContact O-N 3.15Å; D1003-Q1007 PolarHBondContact O-N 3.34Å; D1003-I1077 VanDerWaalsContact OD2-CD1 3.3Å; D1003-I1077 WeakPolarHBondContact OD2-CD1 3.48Å
1004	L	41.6	Very low	46.7	Very low	130 Å²	130	89.8 Å²	89.8	68%	0.681	47%	0.472	S	S	*	.	H	α-helix	trans	-59.8	-26.1	179.7	-85	144.5	0	0	0	112.3	S1002 Q1007 D1008	S1002-L1004 PolarHBondContact O-N 3.48Å; L1004-Q1007 WeakPolarHBondContact O-CB 3.29Å; L1004-Q1007 PolarHBondContact O-N 3.23Å; L1004-D1008 PolarHBondContact O-N 2.82Å
1005	S	45	Very low	46.5	Very low	36 Å²	36	94.8 Å²	94.8	25%	0.252	49%	0.486	S	S	.	.	H	α-helix	trans	-71.2	-33.7	177.4	61.4	0	0	0	0	113.3	D1003 V1009 I1077	D1003-S1005 VanDerWaalsContact CG-OG 3.25Å; D1003-S1005 PolarHBondContact O-N 3.16Å; D1003-S1005 PolarHBondContact OD1-N 2.81Å; D1003-S1005 PolarHBondContact OD1-OG 2.99Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.43Å; S1005-I1077 VanDerWaalsContact CB-CG2 3.41Å; S1005-I1077 WeakPolarHBondContact OG-CG2 3.28Å
1006	L	47.2	Very low	46.3	Very low	54 Å²	54	98.2 Å²	98.2	28%	0.283	51%	0.508	S	S	.	.	H	α-helix	trans	-75.4	-26.9	172.6	-81	159.1	0	0	0	111.4	L1000 D1003 D1008 V1009 Y1010	L1000-L1006 HydrophobicContact CB-CD1 4.48Å; L1000-L1006 HydrophobicContact CD2-CD1 4Å; L1000-L1006 WeakPolarHBondContact O-CD1 3.45Å; D1003-L1006 HydrophobicContact CB-CD1 4.15Å; D1003-L1006 PolarHBondContact O-N 2.82Å; D1003-L1006 VanDerWaalsContact O-N 3.15Å; L1006-D1008 VanDerWaalsContact C-N 3.28Å; L1006-D1008 PolarHBondContact O-N 3.39Å; L1006-V1009 PolarHBondContact O-N 3.49Å; L1006-Y1010 HydrophobicContact CD2-CD2 4.06Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.68Å; L1006-Y1010 WeakPolarHBondContact O-CD2 3.4Å; L1006-Y1010 PolarHBondContact O-N 2.94Å; L1006-Y1010 VanDerWaalsContact O-N 3.1Å
1007	Q	45.7	Very low	46	Very low	103 Å²	103	99.4 Å²	99.4	48%	0.481	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-30.3	173.7	-66.7	-178.8	-0.5	0	0	112.8	D1003 L1004 A1011	D1003-Q1007 PolarHBondContact O-N 3.34Å; L1004-Q1007 WeakPolarHBondContact O-CB 3.29Å; L1004-Q1007 PolarHBondContact O-N 3.23Å; Q1007-A1011 WeakPolarHBondContact O-CB 3.39Å; Q1007-A1011 PolarHBondContact O-N 3.29Å
1008	D	47.1	Very low	46.1	Very low	137 Å²	137	101.3 Å²	101.3	73%	0.733	53%	0.531	S	S	*	.	H	α-helix	trans	-79.8	-28.5	176.4	-74.1	-25.2	0	0	0	112.7	L1004 L1006	L1004-D1008 PolarHBondContact O-N 2.82Å; L1006-D1008 VanDerWaalsContact C-N 3.28Å; L1006-D1008 PolarHBondContact O-N 3.39Å
1009	V	48	Very low	46.1	Very low	109 Å²	109	100 Å²	100	66%	0.661	53%	0.525	S	S	*	.	H	α-helix	trans	-79.1	-33.2	178.5	176.7	0	0	0	0	112.3	S1005 L1006	S1005-V1009 WeakPolarHBondContact O-CG2 3.43Å; L1006-V1009 PolarHBondContact O-N 3.49Å
1010	Y	49	Very low	45.9	Very low	73 Å²	73	98 Å²	98	29%	0.286	52%	0.522	S	S	.	.	S	Bend	trans	-107.6	18.7	-176.9	-68.9	-81.5	0	0	0	113.7	L1006 E1012 E1013	L1006-Y1010 HydrophobicContact CD2-CD2 4.06Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.68Å; L1006-Y1010 WeakPolarHBondContact O-CD2 3.4Å; L1006-Y1010 PolarHBondContact O-N 2.94Å; L1006-Y1010 VanDerWaalsContact O-N 3.1Å; Y1010-E1012 PolarHBondContact O-N 3.34Å; Y1010-E1013 PolarHBondContact O-N 2.81Å; Y1010-E1013 VanDerWaalsContact O-N 3.12Å
1011	A	46.5	Very low	45.8	Very low	80 Å²	80	102.6 Å²	102.6	66%	0.661	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.3	-175.3	0	0	0	0	0	115.4	Q1007	Q1007-A1011 WeakPolarHBondContact O-CB 3.39Å; Q1007-A1011 PolarHBondContact O-N 3.29Å
1012	E	47.6	Very low	46	Very low	197 Å²	197	99 Å²	99	92%	0.921	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-9.2	179.1	-68.8	-164.9	156.7	0	0	115.2	Y1010	Y1010-E1012 PolarHBondContact O-N 3.34Å
1013	E	43.5	Very low	45.9	Very low	124 Å²	124	97.2 Å²	97.2	58%	0.579	51%	0.514	S	S	*	.	S	Bend	trans	-110.5	139.1	179.3	-70.1	-169.7	159.9	0	0	111.8	Y1010 K1015	Y1010-E1013 PolarHBondContact O-N 2.81Å; Y1010-E1013 VanDerWaalsContact O-N 3.12Å; E1013-K1015 PolarHBondContact O-N 2.98Å
1014	D	47.7	Very low	45.9	Very low	124 Å²	124	100.3 Å²	100.3	66%	0.663	53%	0.525	S	S	*	.			trans	-42.1	125.6	-175.4	-128.7	-24.1	0	0	0	111.5	D1016 A1017	D1014-D1016 PolarHBondContact O-N 3.39Å; D1014-A1017 HydrophobicContact CB-CB 3.63Å; D1014-A1017 PolarHBondContact O-N 2.87Å
1015	K	42.2	Very low	46.1	Very low	200 Å²	200	101.7 Å²	101.7	87%	0.87	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.9	-176.3	-70	-178.6	176.9	-177.2	0	113.8	E1013	E1013-K1015 PolarHBondContact O-N 2.98Å
1016	D	43.5	Very low	46.2	Very low	161 Å²	161	101.5 Å²	101.5	86%	0.861	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	4.1	-179.9	-65.3	-32.7	0	0	0	113.2	D1014	D1014-D1016 PolarHBondContact O-N 3.39Å
1017	A	42.1	Very low	46.1	Very low	53 Å²	53	103 Å²	103	44%	0.438	55%	0.545	S	S	.	.			trans	-118.3	11	-171	0	0	0	0	0	115.5	D1014 S1019	D1014-A1017 HydrophobicContact CB-CB 3.63Å; D1014-A1017 PolarHBondContact O-N 2.87Å; A1017-S1019 PolarHBondContact O-N 3.46Å
1018	I	47.3	Very low	45.9	Very low	63 Å²	63	100.9 Å²	100.9	32%	0.323	54%	0.537	S	S	.	.			trans	-65.9	89.5	164.6	-55.8	178.7	0	0	0	107.3	L1023	I1018-L1023 HydrophobicContact CG2-CD1 3.91Å; I1018-L1023 HydrophobicContact CG2-CD2 4.35Å; I1018-L1023 HydrophobicContact CG2-CG 3.7Å
1019	S	48.6	Very low	45.7	Very low	51 Å²	51	94.9 Å²	94.9	36%	0.357	50%	0.504	S	S	.	.			trans	-65.5	149.3	-178.3	83.2	0	0	0	0	109.3	A1017 Q1021 T1022 L1023	A1017-S1019 PolarHBondContact O-N 3.46Å; S1019-Q1021 PolarHBondContact O-N 3.28Å; S1019-Q1021 WeakPolarHBondContact OG-CB 3.26Å; S1019-Q1021 PolarHBondContact OG-N 3.49Å; S1019-T1022 PolarHBondContact N-OG1 2.82Å; S1019-T1022 WeakPolarHBondContact O-CA 3.25Å; S1019-T1022 WeakPolarHBondContact O-CB 3.47Å; S1019-T1022 PolarHBondContact O-N 2.91Å; S1019-T1022 PolarHBondContact OG-N 3.02Å; S1019-T1022 PolarHBondContact OG-OG1 3.31Å; S1019-L1023 PolarHBondContact O-N 3.46Å
1020	M	42.6	Very low	45.4	Very low	92 Å²	92	95.8 Å²	95.8	45%	0.453	50%	0.502	S	S	.	.	H	α-helix	trans	-53.1	-24.9	171.2	-146.5	78.9	-129.8	0	0	111.7	V997 L1023 K1024 F1029	V997-M1020 HydrophobicContact CG2-CE 4.04Å; M1020-L1023 HydrophobicContact CE-CD1 4.14Å; M1020-K1024 WeakPolarHBondContact O-CB 3.17Å; M1020-K1024 WeakPolarHBondContact O-CG 3.31Å; M1020-K1024 PolarHBondContact O-N 3.02Å; M1020-F1029 HydrophobicContact CE-CE1 4.02Å; M1020-F1029 HydrophobicContact CE-CZ 3.66Å
1021	Q	47.2	Very low	45	Very low	144 Å²	144	93.4 Å²	93.4	67%	0.673	50%	0.497	S	S	*	.	H	α-helix	trans	-75.7	-38.4	177.3	-149.8	144.5	-12.9	0	0	112	S1019 K1024 E1025	S1019-Q1021 PolarHBondContact O-N 3.28Å; S1019-Q1021 WeakPolarHBondContact OG-CB 3.26Å; S1019-Q1021 PolarHBondContact OG-N 3.49Å; Q1021-K1024 WeakPolarHBondContact O-CB 3.49Å; Q1021-K1024 PolarHBondContact O-N 3.48Å; Q1021-E1025 WeakPolarHBondContact O-CG 3.35Å; Q1021-E1025 PolarHBondContact O-N 3.09Å
1022	T	49.2	Very low	44.8	Very low	39 Å²	39	91.6 Å²	91.6	24%	0.239	47%	0.473	C	S	.	.	H	α-helix	trans	-66.3	-38.8	173.3	-40.3	0	0	0	0	111.1	S1019 E1025	S1019-T1022 PolarHBondContact N-OG1 2.82Å; S1019-T1022 WeakPolarHBondContact O-CA 3.25Å; S1019-T1022 WeakPolarHBondContact O-CB 3.47Å; S1019-T1022 PolarHBondContact O-N 2.91Å; S1019-T1022 PolarHBondContact OG-N 3.02Å; S1019-T1022 PolarHBondContact OG-OG1 3.31Å; T1022-E1025 PolarHBondContact O-N 3.32Å
1023	L	47.2	Very low	44.6	Very low	27 Å²	27	83.4 Å²	83.4	14%	0.141	44%	0.437	C	S	.	.	H	α-helix	trans	-65.1	-43	171.8	-81.3	158.8	0	0	0	111.3	I1018 S1019 M1020 E1025 T1026 F1029	I1018-L1023 HydrophobicContact CG2-CD1 3.91Å; I1018-L1023 HydrophobicContact CG2-CD2 4.35Å; I1018-L1023 HydrophobicContact CG2-CG 3.7Å; S1019-L1023 PolarHBondContact O-N 3.46Å; M1020-L1023 HydrophobicContact CE-CD1 4.14Å; L1023-E1025 PolarHBondContact O-N 2.88Å; L1023-T1026 PolarHBondContact O-N 3.44Å; L1023-T1026 VanDerWaalsContact O-N 3.09Å; L1023-T1026 PolarHBondContact O-OG1 3.04Å; L1023-F1029 HydrophobicContact CB-CD2 3.99Å; L1023-F1029 HydrophobicContact CB-CE2 3.9Å; L1023-F1029 HydrophobicContact CB-CG 4.42Å; L1023-F1029 HydrophobicContact CB-CZ 4.23Å; L1023-F1029 HydrophobicContact CD2-CD2 4.18Å; L1023-F1029 HydrophobicContact CD2-CE2 3.94Å; L1023-F1029 HydrophobicContact CG-CE2 4.35Å; L1023-F1029 WeakPolarHBondContact O-CB 3.47Å; L1023-F1029 WeakPolarHBondContact O-CG 3.27Å
1024	K	44.7	Very low	44.8	Very low	109 Å²	109	82.2 Å²	82.2	47%	0.474	43%	0.434	S	S	.	.	H	α-helix	trans	-59.8	-22.9	176.3	-81.2	175.9	178.7	-163.1	0	114.7	M1020 Q1021 F1029	M1020-K1024 WeakPolarHBondContact O-CB 3.17Å; M1020-K1024 WeakPolarHBondContact O-CG 3.31Å; M1020-K1024 PolarHBondContact O-N 3.02Å; Q1021-K1024 WeakPolarHBondContact O-CB 3.49Å; Q1021-K1024 PolarHBondContact O-N 3.48Å; K1024-F1029 HydrophobicContact CG-CD1 4.32Å
1025	E	45.3	Very low	44.6	Very low	159 Å²	159	78.2 Å²	78.2	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.1	178.3	-72.5	175.7	-175.7	0	0	113.5	Q1021 T1022 L1023	Q1021-E1025 WeakPolarHBondContact O-CG 3.35Å; Q1021-E1025 PolarHBondContact O-N 3.09Å; T1022-E1025 PolarHBondContact O-N 3.32Å; L1023-E1025 PolarHBondContact O-N 2.88Å
1026	T	47.5	Very low	44.7	Very low	33 Å²	33	71.6 Å²	71.6	20%	0.202	39%	0.388	C	S	.	.	S	Bend	trans	-75.4	133.9	172.2	61.2	0	0	0	0	110	L1023 I1028 F1029	L1023-T1026 PolarHBondContact O-N 3.44Å; L1023-T1026 VanDerWaalsContact O-N 3.09Å; L1023-T1026 PolarHBondContact O-OG1 3.04Å; T1026-I1028 PolarHBondContact O-N 3.21Å; T1026-F1029 PolarHBondContact O-N 2.89Å
1027	A	45.1	Very low	44.9	Very low	84 Å²	84	68.1 Å²	68.1	69%	0.694	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-22	177.8	0	0	0	0	0	113.1	F1029	A1027-F1029 VanDerWaalsContact C-N 3.3Å; A1027-F1029 PolarHBondContact O-N 2.92Å
1028	I	42.1	Very low	45.1	Very low	59 Å²	59	69 Å²	69	30%	0.303	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.3	175.4	-61.6	-177.5	0	0	0	112.5	T1026 Y1032 N1073	T1026-I1028 PolarHBondContact O-N 3.21Å; I1028-Y1032 WeakPolarHBondContact O-CD2 3.42Å; I1028-N1073 WeakPolarHBondContact CG1-OD1 3.34Å
1029	F	42.8	Very low	44.9	Very low	11 Å²	11	67.2 Å²	67.2	5%	0.048	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.5	-173.9	-126	-90.4	0	0	0	113.9	V997 M1020 L1023 K1024 T1026 A1027 A1031 Y1032 T1033	V997-F1029 HydrophobicContact CG2-CZ 4.08Å; M1020-F1029 HydrophobicContact CE-CE1 4.02Å; M1020-F1029 HydrophobicContact CE-CZ 3.66Å; L1023-F1029 HydrophobicContact CB-CD2 3.99Å; L1023-F1029 HydrophobicContact CB-CE2 3.9Å; L1023-F1029 HydrophobicContact CB-CG 4.42Å; L1023-F1029 HydrophobicContact CB-CZ 4.23Å; L1023-F1029 HydrophobicContact CD2-CD2 4.18Å; L1023-F1029 HydrophobicContact CD2-CE2 3.94Å; L1023-F1029 HydrophobicContact CG-CE2 4.35Å; L1023-F1029 WeakPolarHBondContact O-CB 3.47Å; L1023-F1029 WeakPolarHBondContact O-CG 3.27Å; K1024-F1029 HydrophobicContact CG-CD1 4.32Å; T1026-F1029 PolarHBondContact O-N 2.89Å; A1027-F1029 VanDerWaalsContact C-N 3.3Å; A1027-F1029 PolarHBondContact O-N 2.92Å; F1029-A1031 VanDerWaalsContact C-N 3.33Å; F1029-A1031 PolarHBondContact O-N 3.29Å; F1029-Y1032 PolarHBondContact O-N 3.11Å; F1029-T1033 WeakPolarHBondContact O-CB 3.26Å; F1029-T1033 PolarHBondContact O-N 2.95Å; F1029-T1033 PolarHBondContact O-OG1 3.49Å
1030	E	41.9	Very low	44.7	Very low	129 Å²	129	67.3 Å²	67.3	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-64.3	-37.2	-178	-161	176.1	-174	0	0	111.6	N1034	E1030-N1034 WeakPolarHBondContact O-CB 3.09Å; E1030-N1034 VanDerWaalsContact O-CG 3.24Å; E1030-N1034 PolarHBondContact O-N 2.88Å; E1030-N1034 PolarHBondContact O-ND2 3.26Å
1031	A	41.1	Very low	45	Very low	23 Å²	23	68.4 Å²	68.4	19%	0.19	37%	0.369	C	S	.	.	H	α-helix	trans	-68.9	-38.1	175.8	0	0	0	0	0	113.4	F1029 T1035 E1069	F1029-A1031 VanDerWaalsContact C-N 3.33Å; F1029-A1031 PolarHBondContact O-N 3.29Å; A1031-T1035 WeakPolarHBondContact O-CB 3.34Å; A1031-T1035 PolarHBondContact O-N 2.85Å; A1031-T1035 VanDerWaalsContact O-N 3.14Å; A1031-T1035 PolarHBondContact O-OG1 2.91Å; A1031-E1069 WeakPolarHBondContact CB-OE1 3.43Å; A1031-E1069 WeakPolarHBondContact CB-OE2 3.33Å
1032	Y	41.9	Very low	44.8	Very low	42 Å²	42	62.8 Å²	62.8	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-70.2	-41.7	176	-72.5	-81.3	0	0	0	111.5	I996 I1028 F1029 T1035 I1036 L1066	I996-Y1032 HydrophobicContact CD1-CE1 3.72Å; I1028-Y1032 WeakPolarHBondContact O-CD2 3.42Å; F1029-Y1032 PolarHBondContact O-N 3.11Å; Y1032-T1035 WeakPolarHBondContact O-CB 3.31Å; Y1032-T1035 PolarHBondContact O-N 2.93Å; Y1032-T1035 VanDerWaalsContact O-N 3.11Å; Y1032-I1036 WeakPolarHBondContact O-CD1 3.33Å; Y1032-I1036 VanDerWaalsContact O-CG1 3.26Å; Y1032-I1036 WeakPolarHBondContact O-CG1 3.43Å; Y1032-I1036 PolarHBondContact O-N 3.07Å; Y1032-L1066 HydrophobicContact CE1-CD2 4Å
1033	T	43.8	Very low	44.5	Very low	25 Å²	25	66 Å²	66	15%	0.153	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-44.1	178.8	-46.8	0	0	0	0	111	F1029 T1035 I1036 D1037	F1029-T1033 WeakPolarHBondContact O-CB 3.26Å; F1029-T1033 PolarHBondContact O-N 2.95Å; F1029-T1033 PolarHBondContact O-OG1 3.49Å; T1033-T1035 VanDerWaalsContact C-N 3.25Å; T1033-T1035 PolarHBondContact O-N 3.1Å; T1033-I1036 PolarHBondContact O-N 2.89Å; T1033-D1037 WeakPolarHBondContact O-CB 3.31Å; T1033-D1037 PolarHBondContact O-N 3.5Å
1034	N	46.1	Very low	44.6	Very low	99 Å²	99	68.7 Å²	68.7	53%	0.529	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-33.4	173	-75.1	-35.4	0	0	0	112.8	E1030 L1038	E1030-N1034 WeakPolarHBondContact O-CB 3.09Å; E1030-N1034 VanDerWaalsContact O-CG 3.24Å; E1030-N1034 PolarHBondContact O-N 2.88Å; E1030-N1034 PolarHBondContact O-ND2 3.26Å; N1034-L1038 WeakPolarHBondContact O-CB 3.1Å; N1034-L1038 PolarHBondContact O-N 2.98Å
1035	T	43.7	Very low	44.5	Very low	39 Å²	39	69 Å²	69	24%	0.239	38%	0.377	C	S	.	.	H	α-helix	trans	-73.7	-37.9	178.6	-60	0	0	0	0	112.1	A1031 Y1032 T1033 A1039 V1062	A1031-T1035 WeakPolarHBondContact O-CB 3.34Å; A1031-T1035 PolarHBondContact O-N 2.85Å; A1031-T1035 VanDerWaalsContact O-N 3.14Å; A1031-T1035 PolarHBondContact O-OG1 2.91Å; Y1032-T1035 WeakPolarHBondContact O-CB 3.31Å; Y1032-T1035 PolarHBondContact O-N 2.93Å; Y1032-T1035 VanDerWaalsContact O-N 3.11Å; T1033-T1035 VanDerWaalsContact C-N 3.25Å; T1033-T1035 PolarHBondContact O-N 3.1Å; T1035-A1039 WeakPolarHBondContact O-CB 3.38Å; T1035-A1039 PolarHBondContact O-N 3.28Å; T1035-V1062 HydrophobicContact CG2-CG1 4.34Å; T1035-V1062 HydrophobicContact CG2-CG2 3.53Å
1036	I	44.5	Very low	44.4	Very low	61 Å²	61	65.1 Å²	65.1	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-74.2	-44.4	179.4	-67.4	159.8	0	0	0	111.2	E993 Y1032 T1033 L1038 A1039 A1040	E993-I1036 VanDerWaalsContact CD-CD1 3.44Å; E993-I1036 HydrophobicContact CG-CD1 4.25Å; E993-I1036 WeakPolarHBondContact OE1-CD1 3.48Å; Y1032-I1036 WeakPolarHBondContact O-CD1 3.33Å; Y1032-I1036 VanDerWaalsContact O-CG1 3.26Å; Y1032-I1036 WeakPolarHBondContact O-CG1 3.43Å; Y1032-I1036 PolarHBondContact O-N 3.07Å; T1033-I1036 PolarHBondContact O-N 2.89Å; I1036-L1038 VanDerWaalsContact C-N 3.34Å; I1036-L1038 PolarHBondContact O-N 3.46Å; I1036-A1039 WeakPolarHBondContact O-CB 3.47Å; I1036-A1039 PolarHBondContact O-N 3.02Å; I1036-A1040 PolarHBondContact O-N 3.36Å
1037	D	49	Very low	44.4	Very low	88 Å²	88	71.5 Å²	71.5	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-39.1	177.9	-71.7	-23.4	0	0	0	111	T1033 A1040 E1041	T1033-D1037 WeakPolarHBondContact O-CB 3.31Å; T1033-D1037 PolarHBondContact O-N 3.5Å; D1037-A1040 PolarHBondContact O-N 3Å; D1037-E1041 PolarHBondContact O-N 3.45Å
1038	L	45	Very low	44.3	Very low	73 Å²	73	74.9 Å²	74.9	38%	0.382	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-34.8	173.9	-168.2	73.1	0	0	0	112.3	N1034 I1036 M1042 F1058	N1034-L1038 WeakPolarHBondContact O-CB 3.1Å; N1034-L1038 PolarHBondContact O-N 2.98Å; I1036-L1038 VanDerWaalsContact C-N 3.34Å; I1036-L1038 PolarHBondContact O-N 3.46Å; L1038-M1042 WeakPolarHBondContact O-CB 3.45Å; L1038-M1042 WeakPolarHBondContact O-CG 3.3Å; L1038-M1042 PolarHBondContact O-N 3.18Å; L1038-F1058 HydrophobicContact CB-CE2 4.42Å; L1038-F1058 HydrophobicContact CD2-CD2 3.75Å; L1038-F1058 HydrophobicContact CD2-CE2 4Å; L1038-F1058 HydrophobicContact CG-CD2 4.25Å; L1038-F1058 HydrophobicContact CG-CE2 4.23Å
1039	A	43.5	Very low	43.9	Very low	24 Å²	24	76.4 Å²	76.4	20%	0.198	40%	0.403	C	S	.	.	H	α-helix	trans	-66.2	-37.8	173.2	0	0	0	0	0	112	T1035 I1036 M1043 F1058	T1035-A1039 WeakPolarHBondContact O-CB 3.38Å; T1035-A1039 PolarHBondContact O-N 3.28Å; I1036-A1039 WeakPolarHBondContact O-CB 3.47Å; I1036-A1039 PolarHBondContact O-N 3.02Å; A1039-M1043 PolarHBondContact O-N 3.39Å; A1039-F1058 HydrophobicContact CB-CE2 4.47Å; A1039-F1058 HydrophobicContact CB-CZ 3.95Å
1040	A	45.2	Very low	44	Very low	53 Å²	53	80 Å²	80	44%	0.438	44%	0.442	S	S	.	.	H	α-helix	trans	-67.4	-45.2	174.7	0	0	0	0	0	111.7	I1036 D1037 M1042 M1043 T1044	I1036-A1040 PolarHBondContact O-N 3.36Å; D1037-A1040 PolarHBondContact O-N 3Å; A1040-M1042 VanDerWaalsContact C-N 3.35Å; A1040-M1042 PolarHBondContact O-N 2.87Å; A1040-M1043 WeakPolarHBondContact O-CB 3.25Å; A1040-M1043 PolarHBondContact O-N 2.96Å; A1040-T1044 PolarHBondContact O-N 3.41Å; A1040-T1044 PolarHBondContact O-OG1 3.21Å
1041	E	48.7	Very low	44.1	Very low	116 Å²	116	75 Å²	75	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-38.7	174.1	-80.3	-172.7	159.8	0	0	112.5	D1037 M1043 T1044 H1045	D1037-E1041 PolarHBondContact O-N 3.45Å; E1041-M1043 VanDerWaalsContact C-N 3.34Å; E1041-T1044 VanDerWaalsContact C-OG1 3.28Å; E1041-T1044 WeakPolarHBondContact CA-OG1 3.24Å; E1041-T1044 PolarHBondContact O-N 3.29Å; E1041-T1044 PolarHBondContact O-OG1 3.34Å; E1041-H1045 PolarHBondContact O-CD2 3.03Å; E1041-H1045 PolarHBondContact O-N 2.87Å
1042	M	42.5	Very low	44.1	Very low	26 Å²	26	77 Å²	77	13%	0.128	43%	0.432	C	S	.	.	H	α-helix	trans	-68.5	-32	175.2	-79	-171.2	73.4	0	0	112.2	L1038 A1040 T1044 H1045 F1046 N1054 L1055 F1058	L1038-M1042 WeakPolarHBondContact O-CB 3.45Å; L1038-M1042 WeakPolarHBondContact O-CG 3.3Å; L1038-M1042 PolarHBondContact O-N 3.18Å; A1040-M1042 VanDerWaalsContact C-N 3.35Å; A1040-M1042 PolarHBondContact O-N 2.87Å; M1042-T1044 VanDerWaalsContact C-N 3.29Å; M1042-T1044 PolarHBondContact O-N 3.37Å; M1042-H1045 PolarHBondContact O-N 2.82Å; M1042-F1046 WeakPolarHBondContact O-CB 3.35Å; M1042-F1046 PolarHBondContact O-N 3.1Å; M1042-N1054 HydrophobicContact CE-CB 4.15Å; M1042-L1055 HydrophobicContact CE-CD1 4.23Å; M1042-F1058 HydrophobicContact CE-CB 4.22Å; M1042-F1058 HydrophobicContact CE-CG 4.37Å; M1042-F1058 HydrophobicContact SD-CB 3.82Å; M1042-F1058 HydrophobicContact SD-CD1 4.21Å; M1042-F1058 HydrophobicContact SD-CD2 3.57Å; M1042-F1058 VanDerWaalsContact SD-CD2 3.57Å; M1042-F1058 HydrophobicContact SD-CE2 4.17Å; M1042-F1058 HydrophobicContact SD-CG 3.6Å; M1042-F1058 VanDerWaalsContact SD-CG 3.6Å
1043	M	43.2	Very low	44.1	Very low	105 Å²	105	80.7 Å²	80.7	52%	0.517	46%	0.459	S	S	.	.	H	α-helix	trans	-62.9	-38.2	174.3	-129.9	-146.2	-58.2	0	0	111.6	A1039 A1040 E1041	A1039-M1043 PolarHBondContact O-N 3.39Å; A1040-M1043 WeakPolarHBondContact O-CB 3.25Å; A1040-M1043 PolarHBondContact O-N 2.96Å; E1041-M1043 VanDerWaalsContact C-N 3.34Å
1044	T	48.9	Very low	44.3	Very low	84 Å²	84	84.5 Å²	84.5	52%	0.515	48%	0.478	S	S	.	.	H	α-helix	trans	-70.3	-39.4	172.2	34.6	0	0	0	0	112.4	A1040 E1041 M1042	A1040-T1044 PolarHBondContact O-N 3.41Å; A1040-T1044 PolarHBondContact O-OG1 3.21Å; E1041-T1044 VanDerWaalsContact C-OG1 3.28Å; E1041-T1044 WeakPolarHBondContact CA-OG1 3.24Å; E1041-T1044 PolarHBondContact O-N 3.29Å; E1041-T1044 PolarHBondContact O-OG1 3.34Å; M1042-T1044 VanDerWaalsContact C-N 3.29Å; M1042-T1044 PolarHBondContact O-N 3.37Å
1045	H	43.5	Very low	44.2	Very low	117 Å²	117	79.9 Å²	79.9	54%	0.542	45%	0.453	S	S	.	.	H	α-helix	trans	-75	-31.7	179.7	-84.6	-52	0	0	0	114.7	E1041 M1042 Q1047 E1048 S1049	E1041-H1045 PolarHBondContact O-CD2 3.03Å; E1041-H1045 PolarHBondContact O-N 2.87Å; M1042-H1045 PolarHBondContact O-N 2.82Å; H1045-Q1047 PolarHBondContact O-N 3.39Å; H1045-E1048 PolarHBondContact O-N 3.36Å; H1045-E1048 VanDerWaalsContact O-N 3.11Å; H1045-S1049 PolarHBondContact O-N 3.24Å
1046	F	43.4	Very low	44	Very low	77 Å²	77	81.1 Å²	81.1	34%	0.338	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-23	177.6	-134.2	-88.7	0	0	0	112.3	M1042 L1055	M1042-F1046 WeakPolarHBondContact O-CB 3.35Å; M1042-F1046 PolarHBondContact O-N 3.1Å; F1046-L1055 HydrophobicContact CE2-CD1 4.27Å
1047	Q	47.3	Very low	44	Very low	166 Å²	166	81.5 Å²	81.5	78%	0.776	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.9	175.3	-70	-175.5	-7.8	0	0	113.2	H1045	H1045-Q1047 PolarHBondContact O-N 3.39Å
1048	E	42.1	Very low	43.8	Very low	155 Å²	155	78.2 Å²	78.2	72%	0.724	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-30.2	-165.4	-68.6	-170	158.6	0	0	116	H1045	H1045-E1048 PolarHBondContact O-N 3.36Å; H1045-E1048 VanDerWaalsContact O-N 3.11Å
1049	S	34.3	Very low	43.9	Very low	92 Å²	92	74.9 Å²	74.9	64%	0.643	43%	0.426	S	S	*	.	S	Bend	trans	-174.5	132.3	177	43.2	0	0	0	0	114.6	H1045 G1051	H1045-S1049 PolarHBondContact O-N 3.24Å; S1049-G1051 VanDerWaalsContact C-N 3.27Å; S1049-G1051 PolarHBondContact O-N 3.35Å
1050	G	45	Very low	43.9	Very low	85 Å²	85	75.5 Å²	75.5	88%	0.876	43%	0.429	S	S	*	.			trans	55.4	7.6	147.3	0	0	0	0	0	121.5	M1052	G1050-M1052 VanDerWaalsContact C-N 3.34Å; G1050-M1052 PolarHBondContact O-N 3.29Å
1051	G	43.8	Very low	43.8	Very low	25 Å²	25	79.4 Å²	79.4	26%	0.258	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	12.9	-159.4	0	0	0	0	0	120.1	S1049 V1053 N1054	S1049-G1051 VanDerWaalsContact C-N 3.27Å; S1049-G1051 PolarHBondContact O-N 3.35Å; G1051-V1053 VanDerWaalsContact C-N 3.33Å; G1051-V1053 PolarHBondContact O-N 3.01Å; G1051-N1054 PolarHBondContact O-N 3.28Å
1052	M	40.9	Very low	43.7	Very low	66 Å²	66	74.5 Å²	74.5	33%	0.325	41%	0.414	S	S	.	.	H	α-helix	trans	-62.9	-31.3	-174.1	-79.7	-95.6	-82.9	0	0	114.3	V971 L977 G1050 N1054 L1055	V971-M1052 HydrophobicContact CG2-SD 4.45Å; L977-M1052 HydrophobicContact CD1-SD 4.45Å; G1050-M1052 VanDerWaalsContact C-N 3.34Å; G1050-M1052 PolarHBondContact O-N 3.29Å; M1052-N1054 VanDerWaalsContact C-N 3.29Å; M1052-N1054 PolarHBondContact O-N 3.2Å; M1052-L1055 PolarHBondContact O-N 3.44Å
1053	V	41.7	Very low	43.8	Very low	119 Å²	119	74.4 Å²	74.4	72%	0.721	42%	0.417	S	S	*	.	H	α-helix	trans	-70.5	-25.4	-178.6	-179.8	0	0	0	0	112.5	G1051 T1057	G1051-V1053 VanDerWaalsContact C-N 3.33Å; G1051-V1053 PolarHBondContact O-N 3.01Å; V1053-T1057 PolarHBondContact O-OG1 2.68Å
1054	N	47.4	Very low	43.7	Very low	104 Å²	104	74.7 Å²	74.7	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-82.1	-21	178.7	-74.9	-15	0	0	0	112.8	M1042 G1051 M1052 F1058	M1042-N1054 HydrophobicContact CE-CB 4.15Å; G1051-N1054 PolarHBondContact O-N 3.28Å; M1052-N1054 VanDerWaalsContact C-N 3.29Å; M1052-N1054 PolarHBondContact O-N 3.2Å; N1054-F1058 WeakPolarHBondContact O-CB 3.33Å; N1054-F1058 PolarHBondContact O-N 3.32Å
1055	L	44.4	Very low	43.3	Very low	3 Å²	3	72 Å²	72	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-70.1	-43.8	-176.6	-166.6	74	0	0	0	112.5	V971 L977 F982 M1042 F1046 M1052 T1057 F1058 V1059	V971-L1055 HydrophobicContact CG2-CD2 4.04Å; L977-L1055 HydrophobicContact CD1-CD2 3.41Å; L977-L1055 VanDerWaalsContact CD1-CD2 3.41Å; L977-L1055 HydrophobicContact CD2-CD2 4.26Å; L977-L1055 HydrophobicContact CG-CD2 4.47Å; F982-L1055 HydrophobicContact CD2-CD1 4.44Å; F982-L1055 HydrophobicContact CE2-CD1 3.76Å; M1042-L1055 HydrophobicContact CE-CD1 4.23Å; F1046-L1055 HydrophobicContact CE2-CD1 4.27Å; M1052-L1055 PolarHBondContact O-N 3.44Å; L1055-T1057 VanDerWaalsContact C-N 3.35Å; L1055-T1057 PolarHBondContact O-N 2.79Å; L1055-F1058 PolarHBondContact O-N 3.22Å; L1055-V1059 HydrophobicContact CD1-CG2 4.38Å; L1055-V1059 HydrophobicContact CG-CG2 4.22Å; L1055-V1059 WeakPolarHBondContact O-CB 3.14Å; L1055-V1059 VanDerWaalsContact O-CG2 3.24Å; L1055-V1059 WeakPolarHBondContact O-CG2 3.46Å; L1055-V1059 PolarHBondContact O-N 3.27Å
1056	H	40.5	Very low	43.4	Very low	65 Å²	65	68.6 Å²	68.6	30%	0.301	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-45.8	175.9	-179.8	-81.2	0	0	0	111.4	S968 V971 S1060	S968-H1056 PolarHBondContact OG-CD2 3.47Å; S968-H1056 PolarHBondContact OG-NE2 3.31Å; V971-H1056 HydrophobicContact CG1-CB 4.32Å; H1056-S1060 WeakPolarHBondContact O-CB 3.33Å; H1056-S1060 PolarHBondContact O-N 3.48Å; H1056-S1060 PolarHBondContact O-OG 2.93Å
1057	T	43.2	Very low	43.2	Very low	69 Å²	69	70.9 Å²	70.9	42%	0.423	40%	0.399	S	S	.	.	H	α-helix	trans	-66	-39.5	178.5	-46.4	0	0	0	0	111.7	V1053 L1055 K1061	V1053-T1057 PolarHBondContact O-OG1 2.68Å; L1055-T1057 VanDerWaalsContact C-N 3.35Å; L1055-T1057 PolarHBondContact O-N 2.79Å; T1057-K1061 VanDerWaalsContact O-CB 3.27Å; T1057-K1061 WeakPolarHBondContact O-CB 3.48Å; T1057-K1061 VanDerWaalsContact O-CG 3.26Å; T1057-K1061 WeakPolarHBondContact O-CG 3.39Å; T1057-K1061 PolarHBondContact O-N 3.12Å
1058	F	44.6	Very low	42.7	Very low	18 Å²	18	65.6 Å²	65.6	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-53.9	176	174.1	-100	0	0	0	111.4	F985 L1038 A1039 M1042 N1054 L1055 S1060 K1061 V1062	F985-F1058 HydrophobicContact CE1-CE1 4.36Å; L1038-F1058 HydrophobicContact CB-CE2 4.42Å; L1038-F1058 HydrophobicContact CD2-CD2 3.75Å; L1038-F1058 HydrophobicContact CD2-CE2 4Å; L1038-F1058 HydrophobicContact CG-CD2 4.25Å; L1038-F1058 HydrophobicContact CG-CE2 4.23Å; A1039-F1058 HydrophobicContact CB-CE2 4.47Å; A1039-F1058 HydrophobicContact CB-CZ 3.95Å; M1042-F1058 HydrophobicContact CE-CB 4.22Å; M1042-F1058 HydrophobicContact CE-CG 4.37Å; M1042-F1058 HydrophobicContact SD-CB 3.82Å; M1042-F1058 HydrophobicContact SD-CD1 4.21Å; M1042-F1058 HydrophobicContact SD-CD2 3.57Å; M1042-F1058 VanDerWaalsContact SD-CD2 3.57Å; M1042-F1058 HydrophobicContact SD-CE2 4.17Å; M1042-F1058 HydrophobicContact SD-CG 3.6Å; M1042-F1058 VanDerWaalsContact SD-CG 3.6Å; N1054-F1058 WeakPolarHBondContact O-CB 3.33Å; N1054-F1058 PolarHBondContact O-N 3.32Å; L1055-F1058 PolarHBondContact O-N 3.22Å; F1058-S1060 VanDerWaalsContact C-N 3.3Å; F1058-S1060 PolarHBondContact O-N 3.43Å; F1058-K1061 CarbonylContact O-C 3.56Å; F1058-K1061 WeakPolarHBondContact O-CA 3.33Å; F1058-K1061 WeakPolarHBondContact O-CB 3.49Å; F1058-K1061 PolarHBondContact O-N 3.11Å; F1058-V1062 HydrophobicContact CD1-CG2 4.36Å; F1058-V1062 HydrophobicContact CD2-CG2 4.33Å; F1058-V1062 HydrophobicContact CE1-CG2 4.01Å; F1058-V1062 HydrophobicContact CE2-CG2 3.97Å; F1058-V1062 HydrophobicContact CZ-CG2 3.79Å; F1058-V1062 WeakPolarHBondContact O-CG2 3.35Å; F1058-V1062 PolarHBondContact O-N 2.98Å
1059	V	47.9	Very low	42.6	Very low	4 Å²	4	60.6 Å²	60.6	2%	0.024	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-40.3	-179.8	173.3	0	0	0	0	111	V964 F985 L1055 V1062 A1063	V964-V1059 HydrophobicContact CB-CG1 3.9Å; V964-V1059 HydrophobicContact CG1-CG1 3.33Å; V964-V1059 HydrophobicContact CG2-CG1 3.65Å; F985-V1059 HydrophobicContact CE1-CG2 4.13Å; F985-V1059 HydrophobicContact CZ-CG1 4.36Å; F985-V1059 HydrophobicContact CZ-CG2 3.98Å; L1055-V1059 HydrophobicContact CD1-CG2 4.38Å; L1055-V1059 HydrophobicContact CG-CG2 4.22Å; L1055-V1059 WeakPolarHBondContact O-CB 3.14Å; L1055-V1059 VanDerWaalsContact O-CG2 3.24Å; L1055-V1059 WeakPolarHBondContact O-CG2 3.46Å; L1055-V1059 PolarHBondContact O-N 3.27Å; V1059-V1062 PolarHBondContact O-N 3.33Å; V1059-A1063 VanDerWaalsContact O-CB 3.26Å; V1059-A1063 WeakPolarHBondContact O-CB 3.4Å; V1059-A1063 PolarHBondContact O-N 3.18Å
1060	S	42.8	Very low	42.9	Very low	37 Å²	37	61.7 Å²	61.7	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-40.8	173.1	-61.1	0	0	0	0	111.8	H1056 F1058 L1064	H1056-S1060 WeakPolarHBondContact O-CB 3.33Å; H1056-S1060 PolarHBondContact O-N 3.48Å; H1056-S1060 PolarHBondContact O-OG 2.93Å; F1058-S1060 VanDerWaalsContact C-N 3.3Å; F1058-S1060 PolarHBondContact O-N 3.43Å; S1060-L1064 WeakPolarHBondContact O-CB 3.48Å; S1060-L1064 WeakPolarHBondContact O-CD1 3.44Å; S1060-L1064 WeakPolarHBondContact O-CG 3.37Å; S1060-L1064 PolarHBondContact O-N 3.08Å
1061	K	44	Very low	42.5	Very low	134 Å²	134	61.7 Å²	61.7	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-67.7	-38.8	175.7	-83.8	-179.4	176.8	-174.7	0	112.9	T1057 F1058 A1065	T1057-K1061 VanDerWaalsContact O-CB 3.27Å; T1057-K1061 WeakPolarHBondContact O-CB 3.48Å; T1057-K1061 VanDerWaalsContact O-CG 3.26Å; T1057-K1061 WeakPolarHBondContact O-CG 3.39Å; T1057-K1061 PolarHBondContact O-N 3.12Å; F1058-K1061 CarbonylContact O-C 3.56Å; F1058-K1061 WeakPolarHBondContact O-CA 3.33Å; F1058-K1061 WeakPolarHBondContact O-CB 3.49Å; F1058-K1061 PolarHBondContact O-N 3.11Å; K1061-A1065 WeakPolarHBondContact O-CB 3.29Å; K1061-A1065 PolarHBondContact O-N 3.24Å
1062	V	47.5	Very low	42.1	Very low	14 Å²	14	65 Å²	65	9%	0.085	34%	0.344	C	S	.	.	H	α-helix	trans	-68.2	-45.2	176	175	0	0	0	0	110.2	T1035 F1058 V1059 A1065 L1066	T1035-V1062 HydrophobicContact CG2-CG1 4.34Å; T1035-V1062 HydrophobicContact CG2-CG2 3.53Å; F1058-V1062 HydrophobicContact CD1-CG2 4.36Å; F1058-V1062 HydrophobicContact CD2-CG2 4.33Å; F1058-V1062 HydrophobicContact CE1-CG2 4.01Å; F1058-V1062 HydrophobicContact CE2-CG2 3.97Å; F1058-V1062 HydrophobicContact CZ-CG2 3.79Å; F1058-V1062 WeakPolarHBondContact O-CG2 3.35Å; F1058-V1062 PolarHBondContact O-N 2.98Å; V1059-V1062 PolarHBondContact O-N 3.33Å; V1062-A1065 PolarHBondContact O-N 3.03Å; V1062-L1066 HydrophobicContact CG1-CD1 3.77Å; V1062-L1066 HydrophobicContact CG1-CG 4.36Å; V1062-L1066 VanDerWaalsContact O-CB 3.25Å; V1062-L1066 WeakPolarHBondContact O-CB 3.24Å; V1062-L1066 WeakPolarHBondContact O-CD1 3.29Å; V1062-L1066 WeakPolarHBondContact O-CG 3.27Å; V1062-L1066 PolarHBondContact O-N 3.45Å
1063	A	44.1	Very low	41.8	Very low	23 Å²	23	63.7 Å²	63.7	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-45.1	173.8	0	0	0	0	0	111.5	V1059 Y1067	V1059-A1063 VanDerWaalsContact O-CB 3.26Å; V1059-A1063 WeakPolarHBondContact O-CB 3.4Å; V1059-A1063 PolarHBondContact O-N 3.18Å; A1063-Y1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Y1067 PolarHBondContact O-N 2.93Å
1064	L	40.4	Very low	41.6	Very low	112 Å²	112	62.7 Å²	62.7	59%	0.586	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-40.8	176.3	-88.5	154	0	0	0	112.3	S1060 Y1067 S1068	S1060-L1064 WeakPolarHBondContact O-CB 3.48Å; S1060-L1064 WeakPolarHBondContact O-CD1 3.44Å; S1060-L1064 WeakPolarHBondContact O-CG 3.37Å; S1060-L1064 PolarHBondContact O-N 3.08Å; L1064-Y1067 CarbonylContact O-C 3.59Å; L1064-Y1067 PolarHBondContact O-N 3.07Å; L1064-S1068 WeakPolarHBondContact O-CA 3.47Å; L1064-S1068 WeakPolarHBondContact O-CB 3.47Å; L1064-S1068 PolarHBondContact O-N 3.45Å; L1064-S1068 PolarHBondContact O-OG 3.14Å
1065	A	41.7	Very low	41	Very low	27 Å²	27	65.8 Å²	65.8	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-44.1	177.7	0	0	0	0	0	111.4	K1061 V1062 Y1067 S1068 E1069	K1061-A1065 WeakPolarHBondContact O-CB 3.29Å; K1061-A1065 PolarHBondContact O-N 3.24Å; V1062-A1065 PolarHBondContact O-N 3.03Å; A1065-Y1067 PolarHBondContact O-N 3.18Å; A1065-S1068 PolarHBondContact O-N 3.1Å; A1065-E1069 WeakPolarHBondContact O-CB 3.32Å; A1065-E1069 PolarHBondContact O-N 2.86Å
1066	L	44.1	Very low	40.3	Very low	45 Å²	45	70.1 Å²	70.1	24%	0.236	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-30.1	172.9	-71.7	169.2	0	0	0	112.2	L960 I996 Y1032 V1062 R1070	L960-L1066 HydrophobicContact CD2-CD1 4.5Å; I996-L1066 HydrophobicContact CD1-CD2 4.43Å; Y1032-L1066 HydrophobicContact CE1-CD2 4Å; V1062-L1066 HydrophobicContact CG1-CD1 3.77Å; V1062-L1066 HydrophobicContact CG1-CG 4.36Å; V1062-L1066 VanDerWaalsContact O-CB 3.25Å; V1062-L1066 WeakPolarHBondContact O-CB 3.24Å; V1062-L1066 WeakPolarHBondContact O-CD1 3.29Å; V1062-L1066 WeakPolarHBondContact O-CG 3.27Å; V1062-L1066 PolarHBondContact O-N 3.45Å; L1066-R1070 WeakPolarHBondContact O-CB 3.41Å
1067	Y	38.8	Very low	39.8	Very low	125 Å²	125	70.8 Å²	70.8	49%	0.49	37%	0.367	S	S	.	.	H	α-helix	trans	-85.6	-40.4	178.1	-152.2	-96.2	0	0	0	113	E856 A1063 L1064 A1065 C1071	E856-Y1067 PolarHBondContact OE1-OH 3.42Å; A1063-Y1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Y1067 PolarHBondContact O-N 2.93Å; L1064-Y1067 CarbonylContact O-C 3.59Å; L1064-Y1067 PolarHBondContact O-N 3.07Å; A1065-Y1067 PolarHBondContact O-N 3.18Å; Y1067-C1071 PolarHBondContact O-SG 3.3Å; Y1067-C1071 VanDerWaalsContact O-SG 3.42Å
1068	S	38.6	Very low	39	Very low	55 Å²	55	75.8 Å²	75.8	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-79.1	-36.5	-174.9	69.1	0	0	0	0	112	L1064 A1065 C1071 I1072	L1064-S1068 WeakPolarHBondContact O-CA 3.47Å; L1064-S1068 WeakPolarHBondContact O-CB 3.47Å; L1064-S1068 PolarHBondContact O-N 3.45Å; L1064-S1068 PolarHBondContact O-OG 3.14Å; A1065-S1068 PolarHBondContact O-N 3.1Å; S1068-C1071 PolarHBondContact O-N 3.3Å; S1068-I1072 WeakPolarHBondContact O-CD1 3.46Å; S1068-I1072 WeakPolarHBondContact O-CG1 3.31Å; S1068-I1072 PolarHBondContact O-N 3.05Å
1069	E	38.4	Very low	38.7	Very low	51 Å²	51	78.7 Å²	78.7	24%	0.238	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-18.7	-177.6	-69.8	-161.2	169	0	0	114.3	A1031 A1065 C1071 I1072 N1073	A1031-E1069 WeakPolarHBondContact CB-OE1 3.43Å; A1031-E1069 WeakPolarHBondContact CB-OE2 3.33Å; A1065-E1069 WeakPolarHBondContact O-CB 3.32Å; A1065-E1069 PolarHBondContact O-N 2.86Å; E1069-C1071 PolarHBondContact O-N 3.47Å; E1069-I1072 PolarHBondContact O-N 3.03Å; E1069-I1072 VanDerWaalsContact O-N 3.11Å; E1069-N1073 WeakPolarHBondContact O-CB 3.35Å; E1069-N1073 PolarHBondContact O-N 2.79Å
1070	R	41.1	Very low	38.2	Very low	114 Å²	114	82.6 Å²	82.6	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-26.8	162.2	-104.9	-179.3	165.9	-176.8	-7.7	112.2	E953 L1066 I1072	E953-R1070 IonicContact OE2-NH2 2.85Å; L1066-R1070 WeakPolarHBondContact O-CB 3.41Å; R1070-I1072 VanDerWaalsContact C-N 3.34Å
1071	C	36.3	Very low	38	Very low	85 Å²	85	85.1 Å²	85.1	57%	0.574	46%	0.464	S	S	*	.	H	α-helix	trans	-78.7	-16.1	171	-67.5	0	0	0	0	113.4	Y1067 S1068 E1069	Y1067-C1071 PolarHBondContact O-SG 3.3Å; Y1067-C1071 VanDerWaalsContact O-SG 3.42Å; S1068-C1071 PolarHBondContact O-N 3.3Å; E1069-C1071 PolarHBondContact O-N 3.47Å
1072	I	35.3	Very low	37.6	Very low	96 Å²	96	82.2 Å²	82.2	49%	0.492	46%	0.457	S	S	.	.	H	α-helix	trans	-103.2	-29.6	-177.8	-64.9	168.1	0	0	0	111.7	S1068 E1069 R1070 R1075	S1068-I1072 WeakPolarHBondContact O-CD1 3.46Å; S1068-I1072 WeakPolarHBondContact O-CG1 3.31Å; S1068-I1072 PolarHBondContact O-N 3.05Å; E1069-I1072 PolarHBondContact O-N 3.03Å; E1069-I1072 VanDerWaalsContact O-N 3.11Å; R1070-I1072 VanDerWaalsContact C-N 3.34Å; I1072-R1075 WeakPolarHBondContact O-CB 3.46Å; I1072-R1075 PolarHBondContact O-N 3.37Å
1073	N	36	Very low	37	Very low	38 Å²	38	86.5 Å²	86.5	20%	0.203	48%	0.48	C	S	.	.	H	α-helix	trans	-86.1	-19.9	179.8	-79.9	-38.7	0	0	0	115.2	I1028 E1069 R1075 C1076	I1028-N1073 WeakPolarHBondContact CG1-OD1 3.34Å; E1069-N1073 WeakPolarHBondContact O-CB 3.35Å; E1069-N1073 PolarHBondContact O-N 2.79Å; N1073-R1075 PolarHBondContact O-N 3.11Å; N1073-C1076 PolarHBondContact O-N 3.28Å
1074	D	37.1	Very low	36.5	Very low	98 Å²	98	90.7 Å²	90.7	52%	0.524	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.6	164.2	-79.7	-7.7	0	0	0	112
1075	R	34.6	Very low	36.2	Very low	169 Å²	169	89.2 Å²	89.2	64%	0.638	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	1.9	174.7	-68.9	-178.5	160.6	-173.7	-7.1	114.4	E751 I1072 N1073	E751-R1075 IonicContact OE1-CZ 2.66Å; E751-R1075 IonicContact OE1-NE 3.51Å; E751-R1075 PolarHBondContact OE1-NE 3.44Å; E751-R1075 IonicContact OE1-NH2 3.94Å; E751-R1075 PolarHBondContact OE1-NH2 3.42Å; E751-R1075 IonicContact OE2-NH2 3.92Å; E751-R1075 PolarHBondContact OE2-NH2 3.47Å; I1072-R1075 WeakPolarHBondContact O-CB 3.46Å; I1072-R1075 PolarHBondContact O-N 3.37Å; N1073-R1075 PolarHBondContact O-N 3.11Å
1076	C	28.8	Very low	35.8	Very low	94 Å²	94	94 Å²	94	64%	0.635	51%	0.514	S	S	*	.	S	Bend	trans	-116.7	12.5	178.8	-73.1	0	0	0	0	114.2	N1073	N1073-C1076 PolarHBondContact O-N 3.28Å
1077	I	29.6	Very low	35.1	Very low	78 Å²	78	98.1 Å²	98.1	40%	0.4	54%	0.537	S	S	.	.			trans	-129.5	73	174.2	-55.6	175.2	0	0	0	108.8	D1003 S1005	D1003-I1077 VanDerWaalsContact OD2-CD1 3.3Å; D1003-I1077 WeakPolarHBondContact OD2-CD1 3.48Å; S1005-I1077 VanDerWaalsContact CB-CG2 3.41Å; S1005-I1077 WeakPolarHBondContact OG-CG2 3.28Å
1078	A	26.9	Very low	34.8	Very low	174 Å²	174	95.6 Å²	95.6	100%	1.438	54%	0.542	S	S	*	.			trans	-149	0	163.1	0	0	0	0	0	108.6

Retrieved 1,078 of 1,078 residues in 1144.9 ms (Link to these results)

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