A0A087YKL2_POEFO Loading...

Gamma-tubulin complex component

Component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation. Plays a role in neuronal migration.

AlphaFold DB , UniProt , Accession A0A087YKL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 875 aa.

						>A0A087YKL2_POEFO|A0A087YKL2
MSEFRIHHDVNELLSLLQVRGGDGAEGYIDLLQKHRTPYVTTTVSAHSAKVKLAEFSKTPEDFLRKYEELKSKNVRNLDPLVYLLSKLCEDKETLQSLQQNAKERSESSNPTTVTSYTLPQTTTKMSMQELDELRKKLGNVAASSNAPLPAEVTRKMLRDKHNKKNPTQPNPVFPNWVYDRPALIGDFITSPAPADQAVTIGTLPLPSQEQFVVEDLLFVLVGVDGRDITAQPVLGRQNRSFIVDATLDMSIKELVNRILPVASYYSTITRFIEEKSSFEYGQVNHALTAAMRTLMKEYLILVTQLEHLQRQGLLSLQKLWFYIQPTMRTMEILASIASSLDKGECMGGATLSLLHDRTFNYTGDSQAQELCLYLTKAASVPYFEILEKWIYRGIIKDPYSEFMVEEHELQKEKIQEDYNDKYWDQRYTIVQHRIPSFLQKMADKILSTGKYLNVVRECGRDVTCPDAKEVLYTLKERAYVEQIEKAYNYASKVLLDFLMDEKELVLRLRSIKHYFLMDKGDFFVHFMDLTEEELKKPVDDIVPPRLEALLELALRMSTANTDPFKDDLKIDLMPHDVITQLLRVLAIETKQEKAIINAEPTDGALSGLEAFSFDYIVKWPLSLIINRKALTRYQMLFRHMFYCKHVERLLCNVWISNKDFKLYSLPSAKWFAAAFALRQRMLNFIQNIQYYMMFEVMEPTWHIMENNLKTASNIDDVLCHHTSFLDNCLKDCMLTNPELLRIFSKLMSVCVMFTNCIQTFTQSMRLERLSHEQGVADRPAAASEQLDEAEKKRPNTKFVAEDGLQSDASFEATIGKFDSNFSMMLLDLLDKLSIYSTNDCEHSMISIIYRLDFNGFYTEQLERMAVERSQKAAA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	62	Low	122 Å²	122	90.2 Å²	90.2	60%	0.601	43%	0.434	S	S	*	.				0	126	0	-67	-80.4	-100.8	0	0	107.5	I6 D9 R36	M1-I6 HydrophobicContact CB-CD1 4.39Å; M1-I6 HydrophobicContact CB-CG1 4.2Å; M1-D9 VanDerWaalsContact CE-OD2 3.23Å; M1-D9 WeakPolarHBondContact CE-OD2 3.43Å; M1-R36 PolarHBondContact O-NH1 3.03Å; M1-R36 PolarHBondContact O-NH2 3.45Å
2	S	53.2	Low	62.6	Low	76 Å²	76	90.6 Å²	90.6	53%	0.531	44%	0.435	S	S	.	.			trans	-65.6	144.6	170.4	41.7	0	0	0	0	109.2	F4 R5	S2-F4 PolarHBondContact O-N 3.07Å; S2-F4 VanDerWaalsContact O-N 3.16Å; S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 2.88Å
3	E	57.3	Low	62.8	Low	114 Å²	114	90.8 Å²	90.8	53%	0.533	44%	0.439	S	S	.	.	H	α-helix	trans	-50.3	-40.9	-178.6	-77.8	171	158.5	0	0	112.2	R5 I6 H7	E3-R5 VanDerWaalsContact C-N 3.25Å; E3-R5 PolarHBondContact O-N 2.68Å; E3-I6 WeakPolarHBondContact O-CB 3.47Å; E3-I6 PolarHBondContact O-N 3.45Å; E3-H7 PolarHBondContact O-CD2 3.05Å; E3-H7 PolarHBondContact O-N 2.92Å
4	F	57	Low	63.1	Low	176 Å²	176	86.1 Å²	86.1	77%	0.772	42%	0.417	S	S	*	.	H	α-helix	trans	-57.1	-33	176.4	-78.2	-83.5	0	0	0	114.6	S2 H8	S2-F4 PolarHBondContact O-N 3.07Å; S2-F4 VanDerWaalsContact O-N 3.16Å; F4-H8 WeakPolarHBondContact O-CB 3.44Å; F4-H8 PolarHBondContact O-N 3.16Å
5	R	62.7	Low	63.3	Low	155 Å²	155	85.5 Å²	85.5	59%	0.585	43%	0.425	S	S	*	.	H	α-helix	trans	-72	-36.3	176.6	-122.7	177.2	-173.9	168.9	1.7	111.4	S2 E3 H8 D9	S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 2.88Å; E3-R5 VanDerWaalsContact C-N 3.25Å; E3-R5 PolarHBondContact O-N 2.68Å; R5-H8 PolarHBondContact O-N 3.3Å; R5-D9 WeakPolarHBondContact O-CB 3.26Å; R5-D9 PolarHBondContact O-N 3.35Å
6	I	65.8	Low	63.2	Low	23 Å²	23	87.6 Å²	87.6	12%	0.118	44%	0.438	C	S	.	.	H	α-helix	trans	-68	-43.2	177.3	-59.2	173.8	0	0	0	110	M1 E3 H8 D9 V10 I29 L32	M1-I6 HydrophobicContact CB-CD1 4.39Å; M1-I6 HydrophobicContact CB-CG1 4.2Å; E3-I6 WeakPolarHBondContact O-CB 3.47Å; E3-I6 PolarHBondContact O-N 3.45Å; I6-H8 VanDerWaalsContact C-N 3.28Å; I6-H8 PolarHBondContact O-N 3.2Å; I6-D9 PolarHBondContact O-N 3.29Å; I6-V10 HydrophobicContact CG2-CG2 4.08Å; I6-V10 WeakPolarHBondContact O-CB 3.46Å; I6-V10 WeakPolarHBondContact O-CG2 3.29Å; I6-V10 PolarHBondContact O-N 3.12Å; I6-I29 HydrophobicContact CG2-CG2 4.29Å; I6-L32 HydrophobicContact CG2-CB 4.31Å; I6-L32 HydrophobicContact CG2-CD1 4.21Å
7	H	66.1	Low	63.1	Low	52 Å²	52	84.3 Å²	84.3	24%	0.241	42%	0.422	C	S	.	.	H	α-helix	trans	-59.9	-41.1	173.7	-80.2	-97.2	0	0	0	111.8	E3 N11 E26 I29 Q33	E3-H7 PolarHBondContact O-CD2 3.05Å; E3-H7 PolarHBondContact O-N 2.92Å; H7-N11 VanDerWaalsContact O-CB 3.26Å; H7-N11 WeakPolarHBondContact O-CB 3.5Å; H7-N11 PolarHBondContact O-N 2.77Å; H7-N11 VanDerWaalsContact O-N 3.12Å; H7-N11 PolarHBondContact O-ND2 2.84Å; H7-E26 IonicContact CE1-OE1 3.95Å; H7-E26 IonicContact ND1-OE1 2.75Å; H7-I29 HydrophobicContact CB-CD1 4.2Å; H7-I29 VanDerWaalsContact CE1-CG2 3.43Å; H7-I29 WeakPolarHBondContact CE1-CG2 3.33Å; H7-I29 WeakPolarHBondContact ND1-CD1 3.38Å; H7-I29 VanDerWaalsContact NE2-CG2 3.29Å; H7-I29 WeakPolarHBondContact NE2-CG2 3.23Å; H7-Q33 PolarHBondContact NE2-NE2 3.02Å
8	H	70.7	Confident	62.7	Low	117 Å²	117	88.2 Å²	88.2	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-65.9	-52.8	176.9	-175.5	67.5	0	0	0	111.7	F4 R5 I6 V10 N11 E12	F4-H8 WeakPolarHBondContact O-CB 3.44Å; F4-H8 PolarHBondContact O-N 3.16Å; R5-H8 PolarHBondContact O-N 3.3Å; I6-H8 VanDerWaalsContact C-N 3.28Å; I6-H8 PolarHBondContact O-N 3.2Å; H8-V10 VanDerWaalsContact C-N 3.34Å; H8-V10 PolarHBondContact O-N 3.38Å; H8-N11 PolarHBondContact O-N 3.41Å; H8-E12 IonicContact CD2-OE2 3.99Å; H8-E12 IonicContact NE2-OE2 3.78Å; H8-E12 VanDerWaalsContact O-CB 3.26Å; H8-E12 WeakPolarHBondContact O-CB 3.16Å; H8-E12 PolarHBondContact O-N 2.81Å
9	D	64.3	Low	62.5	Low	59 Å²	59	84.9 Å²	84.9	32%	0.316	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-36.8	-175.1	-60.4	-17.7	0	0	0	111.5	M1 R5 I6 L13	M1-D9 VanDerWaalsContact CE-OD2 3.23Å; M1-D9 WeakPolarHBondContact CE-OD2 3.43Å; R5-D9 WeakPolarHBondContact O-CB 3.26Å; R5-D9 PolarHBondContact O-N 3.35Å; I6-D9 PolarHBondContact O-N 3.29Å; D9-L13 WeakPolarHBondContact O-CB 3.13Å; D9-L13 PolarHBondContact O-N 3.27Å
10	V	68.4	Low	62	Low	19 Å²	19	93.5 Å²	93.5	12%	0.115	45%	0.451	C	S	.	.	H	α-helix	trans	-72.5	-41.6	176.9	175.9	0	0	0	0	111.2	I6 H8 E12 L13 L14 I29 L32	I6-V10 HydrophobicContact CG2-CG2 4.08Å; I6-V10 WeakPolarHBondContact O-CB 3.46Å; I6-V10 WeakPolarHBondContact O-CG2 3.29Å; I6-V10 PolarHBondContact O-N 3.12Å; H8-V10 VanDerWaalsContact C-N 3.34Å; H8-V10 PolarHBondContact O-N 3.38Å; V10-E12 VanDerWaalsContact C-N 3.35Å; V10-L13 PolarHBondContact O-N 2.93Å; V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 2.98Å; V10-L14 PolarHBondContact O-N 3.44Å; V10-I29 HydrophobicContact CB-CD1 4.18Å; V10-I29 HydrophobicContact CB-CG1 3.7Å; V10-I29 HydrophobicContact CG1-CD1 4.22Å; V10-I29 HydrophobicContact CG1-CG1 3.73Å; V10-I29 HydrophobicContact CG2-CG1 3.98Å; V10-L32 HydrophobicContact CG2-CD1 3.55Å
11	N	68.3	Low	61.3	Low	79 Å²	79	90.4 Å²	90.4	42%	0.422	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-39	174.2	-83.7	-53.9	0	0	0	111.8	H7 H8 L14 S15 A25	H7-N11 VanDerWaalsContact O-CB 3.26Å; H7-N11 WeakPolarHBondContact O-CB 3.5Å; H7-N11 PolarHBondContact O-N 2.77Å; H7-N11 VanDerWaalsContact O-N 3.12Å; H7-N11 PolarHBondContact O-ND2 2.84Å; H8-N11 PolarHBondContact O-N 3.41Å; N11-L14 PolarHBondContact O-N 2.87Å; N11-S15 VanDerWaalsContact O-CB 3.26Å; N11-S15 WeakPolarHBondContact O-CB 3.3Å; N11-S15 PolarHBondContact O-N 2.84Å; N11-S15 PolarHBondContact O-OG 2.84Å; N11-A25 WeakPolarHBondContact OD1-CB 3.41Å
12	E	69.7	Low	61.6	Low	95 Å²	95	87.2 Å²	87.2	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-45.3	175.5	-168.6	177.5	-165.9	0	0	109.9	H8 V10 L14 S15 L16	H8-E12 IonicContact CD2-OE2 3.99Å; H8-E12 IonicContact NE2-OE2 3.78Å; H8-E12 VanDerWaalsContact O-CB 3.26Å; H8-E12 WeakPolarHBondContact O-CB 3.16Å; H8-E12 PolarHBondContact O-N 2.81Å; V10-E12 VanDerWaalsContact C-N 3.35Å; E12-L14 PolarHBondContact O-N 3.33Å; E12-S15 WeakPolarHBondContact CA-OG 3.41Å; E12-S15 PolarHBondContact O-N 3.46Å; E12-S15 PolarHBondContact O-OG 3.21Å; E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.26Å; E12-L16 VanDerWaalsContact O-CG 3.24Å; E12-L16 WeakPolarHBondContact O-CG 3.26Å; E12-L16 PolarHBondContact O-N 2.87Å
13	L	64.6	Low	61.5	Low	93 Å²	93	90.4 Å²	90.4	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.9	-168.7	135.3	0	0	0	112.3	D9 V10 S15 L16 L17	D9-L13 WeakPolarHBondContact O-CB 3.13Å; D9-L13 PolarHBondContact O-N 3.27Å; V10-L13 PolarHBondContact O-N 2.93Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-L17 HydrophobicContact CD2-CD1 3.58Å; L13-L17 HydrophobicContact CD2-CG 4.5Å; L13-L17 HydrophobicContact CG-CD1 4.22Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 2.96Å
14	L	67.4	Low	61.5	Low	26 Å²	26	87.2 Å²	87.2	14%	0.136	45%	0.451	C	S	.	.	H	α-helix	trans	-66.2	-36	174.5	-72.4	171	0	0	0	112.2	V10 N11 E12 L17 Q18 V19 A25 Y28	V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.15Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 2.98Å; V10-L14 PolarHBondContact O-N 3.44Å; N11-L14 PolarHBondContact O-N 2.87Å; E12-L14 PolarHBondContact O-N 3.33Å; L14-L17 PolarHBondContact O-N 2.95Å; L14-Q18 PolarHBondContact O-N 3.24Å; L14-V19 HydrophobicContact CD2-CB 4.41Å; L14-V19 PolarHBondContact O-N 3.49Å; L14-A25 HydrophobicContact CD1-CB 3.5Å; L14-A25 VanDerWaalsContact CD1-CB 3.5Å; L14-Y28 HydrophobicContact CD1-CD2 4.37Å
15	S	65.8	Low	61.6	Low	77 Å²	77	79.8 Å²	79.8	54%	0.538	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-40.1	174.6	80.4	0	0	0	0	112.1	N11 E12 L13 L17 Q18	N11-S15 VanDerWaalsContact O-CB 3.26Å; N11-S15 WeakPolarHBondContact O-CB 3.3Å; N11-S15 PolarHBondContact O-N 2.84Å; N11-S15 PolarHBondContact O-OG 2.84Å; E12-S15 WeakPolarHBondContact CA-OG 3.41Å; E12-S15 PolarHBondContact O-N 3.46Å; E12-S15 PolarHBondContact O-OG 3.21Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.4Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-Q18 PolarHBondContact O-N 3.07Å
16	L	62.1	Low	61.6	Low	119 Å²	119	78.5 Å²	78.5	62%	0.623	42%	0.422	S	S	*	.	H	α-helix	trans	-69.1	-32.3	177.3	-73.5	171.3	0	0	0	111.9	E12 L13 Q18	E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.26Å; E12-L16 VanDerWaalsContact O-CG 3.24Å; E12-L16 WeakPolarHBondContact O-CG 3.26Å; E12-L16 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-Q18 VanDerWaalsContact C-N 3.31Å
17	L	60.6	Low	61.5	Low	31 Å²	31	78.9 Å²	78.9	16%	0.162	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.3	176.2	-64.6	176.9	0	0	0	113.5	L13 L14 S15 V19 L98	L13-L17 HydrophobicContact CD2-CD1 3.58Å; L13-L17 HydrophobicContact CD2-CG 4.5Å; L13-L17 HydrophobicContact CG-CD1 4.22Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 2.96Å; L14-L17 PolarHBondContact O-N 2.95Å; S15-L17 VanDerWaalsContact C-N 3.33Å; L17-V19 HydrophobicContact CB-CG2 3.96Å; L17-V19 PolarHBondContact O-N 3.41Å; L17-L98 HydrophobicContact CD1-CD2 4.35Å; L17-L98 HydrophobicContact CD2-CD2 3.33Å; L17-L98 HydrophobicContact CD2-CG 3.98Å; L17-L98 HydrophobicContact CG-CD2 4.49Å
18	Q	56.9	Low	61.4	Low	154 Å²	154	78.9 Å²	78.9	72%	0.72	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30.4	-178.8	-60.7	-170.9	0.8	0	0	114.7	L14 S15 L16 R20	L14-Q18 PolarHBondContact O-N 3.24Å; S15-Q18 PolarHBondContact O-N 3.07Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; Q18-R20 PolarHBondContact O-N 3.34Å
19	V	58.6	Low	61.3	Low	26 Å²	26	73.3 Å²	73.3	16%	0.158	40%	0.404	C	S	.	.			trans	-83.5	115.8	179	-178	0	0	0	0	108.1	L14 L17 G21 T94	L14-V19 HydrophobicContact CD2-CB 4.41Å; L14-V19 PolarHBondContact O-N 3.49Å; L17-V19 HydrophobicContact CB-CG2 3.96Å; L17-V19 PolarHBondContact O-N 3.41Å; V19-G21 WeakPolarHBondContact CG1-O 3.22Å; V19-T94 HydrophobicContact CB-CG2 4.49Å; V19-T94 HydrophobicContact CG1-CG2 3.93Å; V19-T94 HydrophobicContact CG2-CG2 3.94Å
20	R	52.3	Low	61.2	Low	257 Å²	257	75.3 Å²	75.3	97%	0.97	41%	0.414	S	S	*	.			trans	-117.8	17.1	178.4	-75.5	-164.6	-176.9	-167.6	3	114	Q18	Q18-R20 PolarHBondContact O-N 3.34Å
21	G	47.1	Very low	60.9	Low	29 Å²	29	77.7 Å²	77.7	30%	0.299	43%	0.426	S	S	.	.	S	Bend	trans	-144.7	139.1	177.2	0	0	0	0	0	110.7	V19	V19-G21 WeakPolarHBondContact CG1-O 3.22Å
22	G	54.1	Low	60.6	Low	55 Å²	55	77 Å²	77	57%	0.567	42%	0.423	S	S	*	.	S	Bend	trans	120	154.2	-169.7	0	0	0	0	0	111.9	G24	G22-G24 PolarHBondContact O-N 3.43Å
23	D	51.5	Low	60.3	Low	143 Å²	143	74.8 Å²	74.8	77%	0.765	41%	0.412	S	S	*	.	S	Bend	trans	-41.3	112.9	177.8	-109.6	-11.6	0	0	0	108	Y28	D23-Y28 WeakPolarHBondContact O-CE2 3.44Å
24	G	58.3	Low	60.1	Low	47 Å²	47	77.9 Å²	77.9	49%	0.485	42%	0.422	S	S	.	.			trans	-54.8	173.1	-162.1	0	0	0	0	0	113.9	G22 E26 G27	G22-G24 PolarHBondContact O-N 3.43Å; G24-E26 CarbonylContact O-C 3.56Å; G24-E26 PolarHBondContact O-N 3.17Å; G24-G27 PolarHBondContact O-N 3.46Å
25	A	59.2	Low	59.5	Low	19 Å²	19	79 Å²	79	16%	0.157	43%	0.426	C	S	.	.	H	α-helix	trans	-44.4	-35.2	-176.5	0	0	0	0	0	114.6	N11 L14 G27 Y28 I29	N11-A25 WeakPolarHBondContact OD1-CB 3.41Å; L14-A25 HydrophobicContact CD1-CB 3.5Å; L14-A25 VanDerWaalsContact CD1-CB 3.5Å; A25-G27 VanDerWaalsContact C-N 3.32Å; A25-G27 PolarHBondContact O-N 2.85Å; A25-Y28 PolarHBondContact O-N 3.3Å; A25-I29 HydrophobicContact CB-CD1 4.12Å; A25-I29 WeakPolarHBondContact O-CD1 3.31Å; A25-I29 WeakPolarHBondContact O-CG1 3.29Å; A25-I29 PolarHBondContact O-N 2.84Å
26	E	62.2	Low	59	Low	129 Å²	129	82.6 Å²	82.6	60%	0.603	43%	0.428	S	S	*	.	H	α-helix	trans	-49.1	-43.2	171.2	-68.3	-73.7	135.6	0	0	113.9	H7 G24 I29 D30	H7-E26 IonicContact CE1-OE1 3.95Å; H7-E26 IonicContact ND1-OE1 2.75Å; G24-E26 CarbonylContact O-C 3.56Å; G24-E26 PolarHBondContact O-N 3.17Å; E26-I29 PolarHBondContact O-N 3.08Å; E26-D30 VanDerWaalsContact O-CB 3.31Å; E26-D30 WeakPolarHBondContact O-CB 3.45Å; E26-D30 PolarHBondContact O-N 3.28Å
27	G	64.2	Low	58.4	Low	30 Å²	30	81.6 Å²	81.6	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-41.9	-179.7	0	0	0	0	0	113.2	G24 A25 L31	G24-G27 PolarHBondContact O-N 3.46Å; A25-G27 VanDerWaalsContact C-N 3.32Å; A25-G27 PolarHBondContact O-N 2.85Å; G27-L31 WeakPolarHBondContact O-CB 3.38Å; G27-L31 PolarHBondContact O-N 3.41Å; G27-L31 VanDerWaalsContact O-N 3.11Å
28	Y	63.8	Low	57.8	Low	52 Å²	52	85.5 Å²	85.5	20%	0.204	45%	0.454	C	S	.	.	H	α-helix	trans	-72.1	-32.7	176.2	-63.3	-80.1	0	0	0	112.2	L14 D23 A25 L32 D91	L14-Y28 HydrophobicContact CD1-CD2 4.37Å; D23-Y28 WeakPolarHBondContact O-CE2 3.44Å; A25-Y28 PolarHBondContact O-N 3.3Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 WeakPolarHBondContact O-CG 3.41Å; Y28-L32 PolarHBondContact O-N 2.81Å; Y28-D91 PolarHBondContact OH-OD2 3.36Å
29	I	67.1	Low	57.1	Low	1 Å²	1	87.2 Å²	87.2	1%	0.005	46%	0.455	C	S	.	.	H	α-helix	trans	-71.5	-44.8	178.4	-64.2	157.1	0	0	0	110.6	I6 H7 V10 A25 E26 L31 L32 Q33	I6-I29 HydrophobicContact CG2-CG2 4.29Å; H7-I29 HydrophobicContact CB-CD1 4.2Å; H7-I29 VanDerWaalsContact CE1-CG2 3.43Å; H7-I29 WeakPolarHBondContact CE1-CG2 3.33Å; H7-I29 WeakPolarHBondContact ND1-CD1 3.38Å; H7-I29 VanDerWaalsContact NE2-CG2 3.29Å; H7-I29 WeakPolarHBondContact NE2-CG2 3.23Å; V10-I29 HydrophobicContact CB-CD1 4.18Å; V10-I29 HydrophobicContact CB-CG1 3.7Å; V10-I29 HydrophobicContact CG1-CD1 4.22Å; V10-I29 HydrophobicContact CG1-CG1 3.73Å; V10-I29 HydrophobicContact CG2-CG1 3.98Å; A25-I29 HydrophobicContact CB-CD1 4.12Å; A25-I29 WeakPolarHBondContact O-CD1 3.31Å; A25-I29 WeakPolarHBondContact O-CG1 3.29Å; A25-I29 PolarHBondContact O-N 2.84Å; E26-I29 PolarHBondContact O-N 3.08Å; I29-L31 VanDerWaalsContact C-N 3.28Å; I29-L31 PolarHBondContact O-N 3.29Å; I29-L32 PolarHBondContact O-N 3.21Å; I29-Q33 HydrophobicContact CG2-CG 4.48Å; I29-Q33 WeakPolarHBondContact O-CG 3.4Å; I29-Q33 PolarHBondContact O-N 3.02Å
30	D	63.3	Low	56.4	Low	100 Å²	100	91.2 Å²	91.2	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-37.5	176.7	-158.7	30.4	0	0	0	110.6	E26 Q33 K34	E26-D30 VanDerWaalsContact O-CB 3.31Å; E26-D30 WeakPolarHBondContact O-CB 3.45Å; E26-D30 PolarHBondContact O-N 3.28Å; D30-Q33 PolarHBondContact O-N 3.34Å; D30-K34 WeakPolarHBondContact O-CB 3.32Å; D30-K34 PolarHBondContact O-N 3.28Å
31	L	61.9	Low	56.2	Low	70 Å²	70	84.2 Å²	84.2	37%	0.366	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-46.1	173.2	-142.7	108.1	0	0	0	112.5	G27 I29 Q33 K34 H35 Y83	G27-L31 WeakPolarHBondContact O-CB 3.38Å; G27-L31 PolarHBondContact O-N 3.41Å; G27-L31 VanDerWaalsContact O-N 3.11Å; I29-L31 VanDerWaalsContact C-N 3.28Å; I29-L31 PolarHBondContact O-N 3.29Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 2.75Å; L31-K34 PolarHBondContact O-N 2.91Å; L31-H35 PolarHBondContact O-CD2 3.05Å; L31-H35 PolarHBondContact O-N 3.44Å; L31-Y83 HydrophobicContact CD2-CE1 4.26Å
32	L	61.9	Low	56.5	Low	65 Å²	65	84.2 Å²	84.2	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-36.1	178	-82.1	164.3	0	0	0	112.3	I6 V10 Y28 I29	I6-L32 HydrophobicContact CG2-CB 4.31Å; I6-L32 HydrophobicContact CG2-CD1 4.21Å; V10-L32 HydrophobicContact CG2-CD1 3.55Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 WeakPolarHBondContact O-CG 3.41Å; Y28-L32 PolarHBondContact O-N 2.81Å; I29-L32 PolarHBondContact O-N 3.21Å
33	Q	64	Low	56.5	Low	48 Å²	48	85.7 Å²	85.7	22%	0.224	46%	0.457	C	S	.	.	H	α-helix	trans	-69.7	-45.2	174.9	-72.7	-179.4	9.5	0	0	111.2	H7 I29 D30 L31 H35 R36	H7-Q33 PolarHBondContact NE2-NE2 3.02Å; I29-Q33 HydrophobicContact CG2-CG 4.48Å; I29-Q33 WeakPolarHBondContact O-CG 3.4Å; I29-Q33 PolarHBondContact O-N 3.02Å; D30-Q33 PolarHBondContact O-N 3.34Å; L31-Q33 VanDerWaalsContact C-N 3.32Å; L31-Q33 PolarHBondContact O-N 2.75Å; Q33-H35 VanDerWaalsContact C-N 3.29Å; Q33-H35 PolarHBondContact O-N 3.47Å; Q33-R36 WeakPolarHBondContact O-CB 3.34Å; Q33-R36 PolarHBondContact O-N 3.13Å
34	K	59.5	Low	56.4	Low	158 Å²	158	84 Å²	84	69%	0.687	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-29.4	-179.5	-157.3	172.1	-168.4	170.7	0	113.6	D30 L31 T37	D30-K34 WeakPolarHBondContact O-CB 3.32Å; D30-K34 PolarHBondContact O-N 3.28Å; L31-K34 PolarHBondContact O-N 2.91Å; K34-T37 PolarHBondContact O-OG1 3.48Å
35	H	54.9	Low	56.4	Low	48 Å²	48	82.9 Å²	82.9	22%	0.222	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2	178.6	-76.4	-67.6	0	0	0	114.9	L31 Q33 T42 Y83	L31-H35 PolarHBondContact O-CD2 3.05Å; L31-H35 PolarHBondContact O-N 3.44Å; Q33-H35 VanDerWaalsContact C-N 3.29Å; Q33-H35 PolarHBondContact O-N 3.47Å; H35-T42 VanDerWaalsContact ND1-CG2 3.33Å; H35-T42 WeakPolarHBondContact ND1-CG2 3.42Å; H35-Y83 AromaticContact NE2-CE1 3.66Å
36	R	56.1	Low	56.6	Low	153 Å²	153	82.1 Å²	82.1	58%	0.577	43%	0.43	S	S	*	.	S	Bend	trans	-85.5	-17.7	178.1	-159.2	176.6	168	-155.7	-6.6	113.3	M1 Q33	M1-R36 PolarHBondContact O-NH1 3.03Å; M1-R36 PolarHBondContact O-NH2 3.45Å; Q33-R36 WeakPolarHBondContact O-CB 3.34Å; Q33-R36 PolarHBondContact O-N 3.13Å
37	T	48.5	Very low	56.8	Low	99 Å²	99	81.6 Å²	81.6	61%	0.607	43%	0.428	S	S	*	.	S	Bend	trans	-91.5	132.1	174.5	50.5	0	0	0	0	111.3	K34 Y39	K34-T37 PolarHBondContact O-OG1 3.48Å; T37-Y39 PolarHBondContact O-N 2.89Å
38	P	48.4	Very low	57.1	Low	112 Å²	112	83.1 Å²	83.1	73%	0.727	43%	0.434	S	S	*	.			trans	-90	91.7	-168.4	34.9	-30.7	0	0	0	110.5
39	Y	41.8	Very low	57.5	Low	191 Å²	191	80.8 Å²	80.8	75%	0.749	43%	0.425	S	S	*	.			trans	-144	123.7	163.5	-100.1	-85.3	0	0	0	112.2	T37 T41	T37-Y39 PolarHBondContact O-N 2.89Å; Y39-T41 PolarHBondContact O-N 3.27Å; Y39-T41 PolarHBondContact O-OG1 2.86Å
40	V	45.2	Very low	58.1	Low	110 Å²	110	81.6 Å²	81.6	67%	0.667	43%	0.429	S	S	*	.	S	Bend	trans	35.9	-34.2	156.3	-174.3	0	0	0	0	120.5	T43	V40-T43 PolarHBondContact O-OG1 3.38Å
41	T	47.8	Very low	58.7	Low	109 Å²	109	79.8 Å²	79.8	67%	0.669	42%	0.421	S	S	*	.	H	α-helix	trans	-78.4	-16.9	178.4	50.2	0	0	0	0	113.7	Y39 S45	Y39-T41 PolarHBondContact O-N 3.27Å; Y39-T41 PolarHBondContact O-OG1 2.86Å; T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 2.9Å; T41-S45 PolarHBondContact O-OG 3.48Å
42	T	52.8	Low	59.1	Low	30 Å²	30	79.9 Å²	79.9	18%	0.184	42%	0.418	C	S	.	.	H	α-helix	trans	-78.4	-27.1	179.3	42.5	0	0	0	0	114.6	H35 S45 A46	H35-T42 VanDerWaalsContact ND1-CG2 3.33Å; H35-T42 WeakPolarHBondContact ND1-CG2 3.42Å; T42-S45 PolarHBondContact O-OG 2.88Å; T42-A46 WeakPolarHBondContact O-CB 3.41Å; T42-A46 PolarHBondContact O-N 3.43Å
43	T	53.5	Low	59.7	Low	85 Å²	85	77.7 Å²	77.7	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-75.5	-40.8	-178.8	53.9	0	0	0	0	111.7	V40 H47	V40-T43 PolarHBondContact O-OG1 3.38Å; T43-H47 PolarHBondContact O-N 3.44Å
44	V	49.6	Very low	60.3	Low	109 Å²	109	75.7 Å²	75.7	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-68.8	-36.8	175.7	-175.4	0	0	0	0	110.6	S48	V44-S48 PolarHBondContact O-N 2.84Å
45	S	58.5	Low	61	Low	23 Å²	23	75 Å²	75	16%	0.161	40%	0.398	C	S	.	.	H	α-helix	trans	-72.7	-35.7	178.2	83.4	0	0	0	0	112.8	T41 T42 A49 Y83	T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 2.9Å; T41-S45 PolarHBondContact O-OG 3.48Å; T42-S45 PolarHBondContact O-OG 2.88Å; S45-A49 VanDerWaalsContact O-CB 3.29Å; S45-A49 WeakPolarHBondContact O-CB 3.36Å; S45-A49 PolarHBondContact O-N 3.12Å; S45-Y83 VanDerWaalsContact CB-CE2 3.44Å; S45-Y83 WeakPolarHBondContact O-CD2 3.05Å; S45-Y83 WeakPolarHBondContact OG-CD2 3.44Å
46	A	62.7	Low	61.6	Low	2 Å²	2	79.8 Å²	79.8	2%	0.017	42%	0.418	C	S	.	.	H	α-helix	trans	-68.4	-36.2	176.7	0	0	0	0	0	112.8	T42 A49 K50 D79	T42-A46 WeakPolarHBondContact O-CB 3.41Å; T42-A46 PolarHBondContact O-N 3.43Å; A46-A49 PolarHBondContact O-N 2.97Å; A46-K50 WeakPolarHBondContact O-CB 3.45Å; A46-K50 PolarHBondContact O-N 3Å; A46-D79 HydrophobicContact CB-CB 3.76Å
47	H	68.4	Low	62.1	Low	118 Å²	118	74.2 Å²	74.2	55%	0.546	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-44.9	176.6	-165.2	77	0	0	0	111.6	T43 K50 V51	T43-H47 PolarHBondContact O-N 3.44Å; H47-K50 PolarHBondContact O-N 3.25Å; H47-V51 WeakPolarHBondContact O-CG2 3.49Å; H47-V51 PolarHBondContact O-N 2.89Å; H47-V51 VanDerWaalsContact O-N 3.09Å
48	S	70.5	Confident	63.1	Low	63 Å²	63	79.7 Å²	79.7	44%	0.441	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-42	174.5	-177.1	0	0	0	0	112	V44 V51 K52	V44-S48 PolarHBondContact O-N 2.84Å; S48-V51 PolarHBondContact O-N 3.36Å; S48-K52 WeakPolarHBondContact O-CB 3.34Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.35Å; S48-K52 PolarHBondContact O-N 3.43Å
49	A	72.2	Confident	64.3	Low	2 Å²	2	78.3 Å²	78.3	2%	0.017	41%	0.408	C	S	.	.	H	α-helix	trans	-65.4	-37.6	176.5	0	0	0	0	0	113.3	S45 A46 K52 L53 Y83	S45-A49 VanDerWaalsContact O-CB 3.29Å; S45-A49 WeakPolarHBondContact O-CB 3.36Å; S45-A49 PolarHBondContact O-N 3.12Å; A46-A49 PolarHBondContact O-N 2.97Å; A49-K52 PolarHBondContact O-N 2.92Å; A49-L53 WeakPolarHBondContact O-CB 3.48Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-Y83 HydrophobicContact CB-CD2 3.74Å
50	K	78.1	Confident	65.8	Low	19 Å²	19	71.9 Å²	71.9	8%	0.083	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-48.3	174.3	178	-164.5	178.2	-166.7	0	111.1	A46 H47 L53 A54 F63 L64 Y67 E68 V82	A46-K50 WeakPolarHBondContact O-CB 3.45Å; A46-K50 PolarHBondContact O-N 3Å; H47-K50 PolarHBondContact O-N 3.25Å; K50-L53 PolarHBondContact O-N 2.91Å; K50-A54 WeakPolarHBondContact O-CB 3.47Å; K50-A54 PolarHBondContact O-N 3.12Å; K50-F63 HydrophobicContact CG-CE1 4.44Å; K50-L64 HydrophobicContact CD-CD2 4.1Å; K50-L64 HydrophobicContact CG-CD2 3.85Å; K50-Y67 HydrophobicContact CD-CD1 3.6Å; K50-Y67 HydrophobicContact CD-CE1 3.54Å; K50-Y67 HydrophobicContact CD-CG 4.32Å; K50-Y67 HydrophobicContact CG-CD1 4.16Å; K50-Y67 HydrophobicContact CG-CE1 4.29Å; K50-Y67 HydrophobicContact CG-CG 4.4Å; K50-E68 IonicContact NZ-OE1 2.7Å; K50-E68 PolarHBondContact NZ-OE1 2.95Å; K50-V82 HydrophobicContact CB-CG1 4.36Å
51	V	76.5	Confident	67.2	Low	61 Å²	61	73.7 Å²	73.7	37%	0.37	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-47.1	178.8	174.5	0	0	0	0	110.3	H47 S48 L53 A54 E55	H47-V51 WeakPolarHBondContact O-CG2 3.49Å; H47-V51 PolarHBondContact O-N 2.89Å; H47-V51 VanDerWaalsContact O-N 3.09Å; S48-V51 PolarHBondContact O-N 3.36Å; V51-L53 PolarHBondContact O-N 3.43Å; V51-A54 WeakPolarHBondContact O-CB 3.35Å; V51-A54 PolarHBondContact O-N 3.19Å; V51-E55 WeakPolarHBondContact O-CG 3.41Å; V51-E55 PolarHBondContact O-N 3.32Å
52	K	70.5	Confident	68.4	Low	72 Å²	72	72.5 Å²	72.5	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-46.2	177.1	-75.6	177.7	168.7	-167.3	0	113	S48 A49 A54 E55 F56 E90	S48-K52 WeakPolarHBondContact O-CB 3.34Å; S48-K52 VanDerWaalsContact O-CG 3.32Å; S48-K52 WeakPolarHBondContact O-CG 3.35Å; S48-K52 PolarHBondContact O-N 3.43Å; A49-K52 PolarHBondContact O-N 2.92Å; K52-A54 VanDerWaalsContact C-N 3.28Å; K52-A54 PolarHBondContact O-N 3.07Å; K52-E55 WeakPolarHBondContact O-CB 3.28Å; K52-E55 PolarHBondContact O-N 3.47Å; K52-E55 VanDerWaalsContact O-N 3.15Å; K52-F56 WeakPolarHBondContact O-CD2 3.2Å; K52-F56 PolarHBondContact O-N 2.9Å; K52-E90 IonicContact NZ-OE1 3.63Å; K52-E90 PolarHBondContact NZ-OE1 3.22Å
53	L	74.7	Confident	69.7	Low	19 Å²	19	74 Å²	74	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-34.9	177.4	-83.6	168.4	0	0	0	112.4	A49 K50 V51 E55 F56 S57 F63 V82 L85 C89	A49-L53 WeakPolarHBondContact O-CB 3.48Å; A49-L53 PolarHBondContact O-N 3.47Å; K50-L53 PolarHBondContact O-N 2.91Å; V51-L53 PolarHBondContact O-N 3.43Å; L53-E55 VanDerWaalsContact C-N 3.34Å; L53-F56 PolarHBondContact O-N 3.16Å; L53-S57 VanDerWaalsContact O-CB 3.31Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 3.31Å; L53-F63 HydrophobicContact CB-CE1 3.98Å; L53-F63 HydrophobicContact CB-CZ 3.98Å; L53-F63 HydrophobicContact CD1-CZ 4.24Å; L53-V82 HydrophobicContact CD1-CG1 3.7Å; L53-V82 WeakPolarHBondContact CD1-O 3.5Å; L53-L85 HydrophobicContact CD1-CB 3.92Å; L53-L85 HydrophobicContact CD2-CB 4.37Å; L53-C89 HydrophobicContact CD2-CB 4.48Å
54	A	75.6	Confident	71	Confident	7 Å²	7	72.7 Å²	72.7	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-43.9	172.6	0	0	0	0	0	110.7	K50 V51 K52 F56 S57 P60 F63 L64	K50-A54 WeakPolarHBondContact O-CB 3.47Å; K50-A54 PolarHBondContact O-N 3.12Å; V51-A54 WeakPolarHBondContact O-CB 3.35Å; V51-A54 PolarHBondContact O-N 3.19Å; K52-A54 VanDerWaalsContact C-N 3.28Å; K52-A54 PolarHBondContact O-N 3.07Å; A54-F56 PolarHBondContact O-N 2.91Å; A54-S57 PolarHBondContact O-N 3.38Å; A54-S57 VanDerWaalsContact O-N 3.14Å; A54-S57 PolarHBondContact O-OG 3.11Å; A54-P60 HydrophobicContact CB-CB 4.03Å; A54-P60 WeakPolarHBondContact O-CB 3.39Å; A54-F63 HydrophobicContact CB-CD1 4.16Å; A54-L64 HydrophobicContact CB-CD1 4.34Å; A54-L64 HydrophobicContact CB-CD2 3.88Å; A54-L64 HydrophobicContact CB-CG 4.04Å
55	E	75.8	Confident	72.4	Confident	142 Å²	142	75 Å²	75	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-61	-38.8	176.6	-70.4	172.7	176.7	0	0	113.3	V51 K52 L53 S57	V51-E55 WeakPolarHBondContact O-CG 3.41Å; V51-E55 PolarHBondContact O-N 3.32Å; K52-E55 WeakPolarHBondContact O-CB 3.28Å; K52-E55 PolarHBondContact O-N 3.47Å; K52-E55 VanDerWaalsContact O-N 3.15Å; L53-E55 VanDerWaalsContact C-N 3.34Å; E55-S57 VanDerWaalsContact C-N 3.32Å
56	F	65.6	Low	73.4	Confident	150 Å²	150	78.9 Å²	78.9	66%	0.658	39%	0.385	S	S	*	.	H	α-helix	trans	-82	-8.4	176.9	-74.2	-74.4	0	0	0	113.9	K52 L53 A54	K52-F56 WeakPolarHBondContact O-CD2 3.2Å; K52-F56 PolarHBondContact O-N 2.9Å; L53-F56 PolarHBondContact O-N 3.16Å; A54-F56 PolarHBondContact O-N 2.91Å
57	S	68.1	Low	74.3	Confident	36 Å²	36	79.3 Å²	79.3	25%	0.252	39%	0.386	S	S	.	.	S	Bend	trans	-88.3	143.7	178.6	79.9	0	0	0	0	111.6	L53 A54 E55 T59 P60	L53-S57 VanDerWaalsContact O-CB 3.31Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 3.31Å; A54-S57 PolarHBondContact O-N 3.38Å; A54-S57 VanDerWaalsContact O-N 3.14Å; A54-S57 PolarHBondContact O-OG 3.11Å; E55-S57 VanDerWaalsContact C-N 3.32Å; S57-T59 PolarHBondContact O-N 2.88Å; S57-P60 WeakPolarHBondContact OG-CA 3.34Å
58	K	69.6	Low	74.9	Confident	213 Å²	213	77.9 Å²	77.9	93%	0.926	38%	0.38	S	S	*	.	S	Bend	trans	-67.4	-16.3	175.9	-67.4	-177.5	178.8	180	0	113.3
59	T	74	Confident	75.5	Confident	83 Å²	83	78 Å²	78	51%	0.509	37%	0.373	S	S	.	.			trans	-138.8	76.9	-176.1	53.2	0	0	0	0	110.2	S57 E61 F63	S57-T59 PolarHBondContact O-N 2.88Å; T59-E61 PolarHBondContact O-N 3.32Å; T59-F63 PolarHBondContact O-N 3.27Å
60	P	73.4	Confident	75.7	Confident	56 Å²	56	80.6 Å²	80.6	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-43.1	-174	20	-30.6	0	0	0	112.8	A54 S57 D62 F63 L64	A54-P60 HydrophobicContact CB-CB 4.03Å; A54-P60 WeakPolarHBondContact O-CB 3.39Å; S57-P60 WeakPolarHBondContact OG-CA 3.34Å; P60-D62 PolarHBondContact O-N 3.29Å; P60-F63 PolarHBondContact O-N 3.1Å; P60-L64 WeakPolarHBondContact O-CG 3.46Å; P60-L64 PolarHBondContact O-N 3.14Å
61	E	73.4	Confident	75.7	Confident	148 Å²	148	84.1 Å²	84.1	69%	0.692	40%	0.402	S	S	*	.	H	α-helix	trans	-64.6	-40.5	-174.6	-64.7	-171.9	174.4	0	0	113.3	T59 L64 R65	T59-E61 PolarHBondContact O-N 3.32Å; E61-L64 PolarHBondContact O-N 2.97Å; E61-R65 WeakPolarHBondContact O-CB 3.37Å; E61-R65 PolarHBondContact O-N 3.31Å
62	D	73.9	Confident	75.8	Confident	85 Å²	85	85.6 Å²	85.6	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-71.5	-36	179.2	-72.8	-22.1	0	0	0	111.6	P60 R65 K66	P60-D62 PolarHBondContact O-N 3.29Å; D62-R65 PolarHBondContact O-N 2.69Å; D62-R65 IonicContact OD1-CZ 3.63Å; D62-R65 IonicContact OD1-NH1 2.76Å; D62-R65 IonicContact OD1-NH2 3.62Å; D62-R65 PolarHBondContact OD1-NH2 3.5Å; D62-K66 WeakPolarHBondContact O-CB 3.25Å; D62-K66 PolarHBondContact O-N 3.48Å
63	F	79.3	Confident	76.2	Confident	62 Å²	62	88.5 Å²	88.5	27%	0.272	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-48.2	172.7	174.1	-99.2	0	0	0	111.3	K50 L53 A54 T59 P60 R65 K66 Y67 V82	K50-F63 HydrophobicContact CG-CE1 4.44Å; L53-F63 HydrophobicContact CB-CE1 3.98Å; L53-F63 HydrophobicContact CB-CZ 3.98Å; L53-F63 HydrophobicContact CD1-CZ 4.24Å; A54-F63 HydrophobicContact CB-CD1 4.16Å; T59-F63 PolarHBondContact O-N 3.27Å; P60-F63 PolarHBondContact O-N 3.1Å; F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 3.29Å; F63-K66 PolarHBondContact O-N 3.22Å; F63-Y67 WeakPolarHBondContact O-CB 3.33Å; F63-Y67 PolarHBondContact O-N 3.46Å; F63-V82 HydrophobicContact CZ-CG1 4.48Å
64	L	79.8	Confident	75.9	Confident	57 Å²	57	94.5 Å²	94.5	30%	0.298	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-43.2	178.4	-65.3	170.4	0	0	0	111.1	K50 A54 P60 E61 Y67 E68	K50-L64 HydrophobicContact CD-CD2 4.1Å; K50-L64 HydrophobicContact CG-CD2 3.85Å; A54-L64 HydrophobicContact CB-CD1 4.34Å; A54-L64 HydrophobicContact CB-CD2 3.88Å; A54-L64 HydrophobicContact CB-CG 4.04Å; P60-L64 WeakPolarHBondContact O-CG 3.46Å; P60-L64 PolarHBondContact O-N 3.14Å; E61-L64 PolarHBondContact O-N 2.97Å; L64-Y67 PolarHBondContact O-N 3.38Å; L64-E68 WeakPolarHBondContact O-CG 3.43Å; L64-E68 PolarHBondContact O-N 3.27Å
65	R	80.1	Confident	75.8	Confident	158 Å²	158	97.5 Å²	97.5	60%	0.596	48%	0.477	S	S	*	.	H	α-helix	trans	-61.3	-44.2	176.5	-165.8	-173.4	-49	154.1	19.2	111.5	E61 D62 F63 E68 E69	E61-R65 WeakPolarHBondContact O-CB 3.37Å; E61-R65 PolarHBondContact O-N 3.31Å; D62-R65 PolarHBondContact O-N 2.69Å; D62-R65 IonicContact OD1-CZ 3.63Å; D62-R65 IonicContact OD1-NH1 2.76Å; D62-R65 IonicContact OD1-NH2 3.62Å; D62-R65 PolarHBondContact OD1-NH2 3.5Å; F63-R65 VanDerWaalsContact C-N 3.33Å; F63-R65 PolarHBondContact O-N 3.29Å; R65-E68 PolarHBondContact O-N 3.16Å; R65-E69 WeakPolarHBondContact O-CB 3.47Å; R65-E69 PolarHBondContact O-N 3.29Å
66	K	78.8	Confident	75.2	Confident	104 Å²	104	101.7 Å²	101.7	45%	0.452	49%	0.487	S	S	.	.	H	α-helix	trans	-69.1	-38.1	179.1	-163.7	72.6	-166	169.3	0	112.2	D62 F63 E69 L70	D62-K66 WeakPolarHBondContact O-CB 3.25Å; D62-K66 PolarHBondContact O-N 3.48Å; F63-K66 PolarHBondContact O-N 3.22Å; K66-E69 WeakPolarHBondContact CD-OE2 3.46Å; K66-E69 WeakPolarHBondContact CE-OE2 3.32Å; K66-E69 VanDerWaalsContact NZ-CD 3.27Å; K66-E69 IonicContact NZ-OE1 2.6Å; K66-E69 PolarHBondContact NZ-OE1 3.43Å; K66-E69 VanDerWaalsContact NZ-OE1 3.13Å; K66-E69 IonicContact NZ-OE2 3.11Å; K66-E69 PolarHBondContact NZ-OE2 3.45Å; K66-E69 PolarHBondContact O-N 3.41Å; K66-L70 HydrophobicContact CG-CD1 4.31Å; K66-L70 WeakPolarHBondContact O-CB 3.49Å; K66-L70 VanDerWaalsContact O-CG 3.29Å; K66-L70 WeakPolarHBondContact O-CG 3.45Å; K66-L70 PolarHBondContact O-N 2.93Å
67	Y	81.8	Confident	75.1	Confident	10 Å²	10	100.5 Å²	100.5	4%	0.039	49%	0.488	C	S	.	.	H	α-helix	trans	-61.5	-46.6	174	173.4	-89.9	0	0	0	111.3	K50 F63 L64 E69 L70 K71 L78 D79 V82	K50-Y67 HydrophobicContact CD-CD1 3.6Å; K50-Y67 HydrophobicContact CD-CE1 3.54Å; K50-Y67 HydrophobicContact CD-CG 4.32Å; K50-Y67 HydrophobicContact CG-CD1 4.16Å; K50-Y67 HydrophobicContact CG-CE1 4.29Å; K50-Y67 HydrophobicContact CG-CG 4.4Å; F63-Y67 WeakPolarHBondContact O-CB 3.33Å; F63-Y67 PolarHBondContact O-N 3.46Å; L64-Y67 PolarHBondContact O-N 3.38Å; Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.47Å; Y67-L70 PolarHBondContact O-N 3.13Å; Y67-K71 HydrophobicContact CE1-CD 3.91Å; Y67-K71 VanDerWaalsContact O-CB 3.32Å; Y67-K71 WeakPolarHBondContact O-CB 3.23Å; Y67-K71 PolarHBondContact O-N 2.96Å; Y67-L78 HydrophobicContact CD2-CD2 3.99Å; Y67-L78 HydrophobicContact CD2-CG 4.17Å; Y67-L78 HydrophobicContact CE2-CD2 3.9Å; Y67-L78 HydrophobicContact CE2-CG 3.97Å; Y67-D79 PolarHBondContact OH-OD1 3.1Å; Y67-V82 HydrophobicContact CD2-CG2 3.8Å; Y67-V82 HydrophobicContact CE2-CB 4.41Å; Y67-V82 HydrophobicContact CE2-CG1 4.49Å; Y67-V82 HydrophobicContact CE2-CG2 3.83Å
68	E	82.1	Confident	75.3	Confident	89 Å²	89	99.8 Å²	99.8	42%	0.416	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-35.6	176.2	-68.3	-58.9	156.2	0	0	112.3	K50 L64 R65 K71 S72	K50-E68 IonicContact NZ-OE1 2.7Å; K50-E68 PolarHBondContact NZ-OE1 2.95Å; L64-E68 WeakPolarHBondContact O-CG 3.43Å; L64-E68 PolarHBondContact O-N 3.27Å; R65-E68 PolarHBondContact O-N 3.16Å; E68-K71 PolarHBondContact O-N 3.35Å; E68-S72 WeakPolarHBondContact O-CB 3.49Å; E68-S72 PolarHBondContact O-N 3.14Å; E68-S72 PolarHBondContact O-OG 3.42Å
69	E	82.9	Confident	75.4	Confident	66 Å²	66	91.5 Å²	91.5	31%	0.308	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-41.8	172.6	-167.2	-158.8	142.2	0	0	111.8	R65 K66 Y67 S72 K73	R65-E69 WeakPolarHBondContact O-CB 3.47Å; R65-E69 PolarHBondContact O-N 3.29Å; K66-E69 WeakPolarHBondContact CD-OE2 3.46Å; K66-E69 WeakPolarHBondContact CE-OE2 3.32Å; K66-E69 VanDerWaalsContact NZ-CD 3.27Å; K66-E69 IonicContact NZ-OE1 2.6Å; K66-E69 PolarHBondContact NZ-OE1 3.43Å; K66-E69 VanDerWaalsContact NZ-OE1 3.13Å; K66-E69 IonicContact NZ-OE2 3.11Å; K66-E69 PolarHBondContact NZ-OE2 3.45Å; K66-E69 PolarHBondContact O-N 3.41Å; Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.47Å; E69-S72 WeakPolarHBondContact CA-OG 3.5Å; E69-S72 PolarHBondContact O-OG 3.28Å; E69-K73 VanDerWaalsContact O-CG 3.27Å; E69-K73 WeakPolarHBondContact O-CG 3.02Å; E69-K73 PolarHBondContact O-N 2.99Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å
70	L	76.4	Confident	75	Confident	56 Å²	56	90 Å²	90	29%	0.293	44%	0.438	S	S	.	.	H	α-helix	trans	-74.7	-32.2	178.9	-68.2	173.5	0	0	0	112	K66 Y67 K73 N74 V75 L78	K66-L70 HydrophobicContact CG-CD1 4.31Å; K66-L70 WeakPolarHBondContact O-CB 3.49Å; K66-L70 VanDerWaalsContact O-CG 3.29Å; K66-L70 WeakPolarHBondContact O-CG 3.45Å; K66-L70 PolarHBondContact O-N 2.93Å; Y67-L70 PolarHBondContact O-N 3.13Å; L70-K73 PolarHBondContact O-N 2.94Å; L70-N74 PolarHBondContact O-N 3.36Å; L70-V75 HydrophobicContact CB-CG2 4.37Å; L70-V75 HydrophobicContact CD2-CG2 4.15Å; L70-V75 WeakPolarHBondContact O-CG2 3.45Å; L70-V75 PolarHBondContact O-N 3.5Å; L70-L78 HydrophobicContact CB-CD1 4.2Å; L70-L78 HydrophobicContact CB-CD2 3.72Å; L70-L78 HydrophobicContact CD1-CD1 4.22Å
71	K	77.5	Confident	74.8	Confident	92 Å²	92	91.6 Å²	91.6	40%	0.4	44%	0.443	S	S	.	.	H	α-helix	trans	-68.5	-44.7	174.5	-168.6	171.1	-173.5	166.6	0	111.6	Y67 E68 K73 N74 L78	Y67-K71 HydrophobicContact CE1-CD 3.91Å; Y67-K71 VanDerWaalsContact O-CB 3.32Å; Y67-K71 WeakPolarHBondContact O-CB 3.23Å; Y67-K71 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 3.35Å; K71-K73 PolarHBondContact O-N 3.34Å; K71-N74 PolarHBondContact O-N 3.1Å; K71-L78 HydrophobicContact CB-CD2 4.12Å
72	S	78.3	Confident	74.8	Confident	93 Å²	93	84.9 Å²	84.9	65%	0.65	41%	0.412	S	S	*	.	H	α-helix	trans	-63.2	-25	174.2	54.8	0	0	0	0	113	E68 E69 N74	E68-S72 WeakPolarHBondContact O-CB 3.49Å; E68-S72 PolarHBondContact O-N 3.14Å; E68-S72 PolarHBondContact O-OG 3.42Å; E69-S72 WeakPolarHBondContact CA-OG 3.5Å; E69-S72 PolarHBondContact O-OG 3.28Å; S72-N74 VanDerWaalsContact C-N 3.31Å
73	K	78.5	Confident	74.5	Confident	132 Å²	132	83.3 Å²	83.3	57%	0.574	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.7	172	-71.3	173.7	177.9	176.9	0	114.5	E69 L70 K71 V75	E69-K73 VanDerWaalsContact O-CG 3.27Å; E69-K73 WeakPolarHBondContact O-CG 3.02Å; E69-K73 PolarHBondContact O-N 2.99Å; E69-K73 IonicContact OE1-NZ 3.89Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; L70-K73 PolarHBondContact O-N 2.94Å; K71-K73 PolarHBondContact O-N 3.34Å; K73-V75 VanDerWaalsContact C-N 3.29Å; K73-V75 HydrophobicContact CB-CG2 4.29Å; K73-V75 PolarHBondContact O-N 2.86Å
74	N	69.6	Low	74	Confident	145 Å²	145	82.5 Å²	82.5	78%	0.775	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42.1	179.6	-80.7	-29.7	0	0	0	114.2	L70 K71 S72 R76	L70-N74 PolarHBondContact O-N 3.36Å; K71-N74 PolarHBondContact O-N 3.1Å; S72-N74 VanDerWaalsContact C-N 3.31Å; N74-R76 PolarHBondContact O-N 2.68Å
75	V	72.8	Confident	73.4	Confident	70 Å²	70	83.4 Å²	83.4	42%	0.424	40%	0.403	S	S	.	.			trans	-65	123.3	176.7	-179.8	0	0	0	0	110	L70 K73 N77	L70-V75 HydrophobicContact CB-CG2 4.37Å; L70-V75 HydrophobicContact CD2-CG2 4.15Å; L70-V75 WeakPolarHBondContact O-CG2 3.45Å; L70-V75 PolarHBondContact O-N 3.5Å; K73-V75 VanDerWaalsContact C-N 3.29Å; K73-V75 HydrophobicContact CB-CG2 4.29Å; K73-V75 PolarHBondContact O-N 2.86Å; V75-N77 PolarHBondContact O-N 3.04Å
76	R	62.5	Low	73	Confident	230 Å²	230	76.2 Å²	76.2	87%	0.868	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	135.3	-179.2	-68.3	-178.7	179.1	175	-0.3	110.8	N74 L78	N74-R76 PolarHBondContact O-N 2.68Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.5Å
77	N	64.6	Low	72.4	Confident	126 Å²	126	75.2 Å²	75.2	67%	0.674	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	20.8	175	-50.4	-30	0	0	0	116.4	V75 P80 L81	V75-N77 PolarHBondContact O-N 3.04Å; N77-P80 HydrophobicContact CB-CG 4.48Å; N77-P80 WeakPolarHBondContact O-CD 3.39Å; N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 PolarHBondContact O-N 3.41Å; N77-L81 VanDerWaalsContact O-N 3.16Å
78	L	72.9	Confident	71.6	Confident	20 Å²	20	77 Å²	77	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-59.9	-48.1	176.6	-177.2	67.4	0	0	0	112.6	Y67 L70 K71 R76 L81 V82	Y67-L78 HydrophobicContact CD2-CD2 3.99Å; Y67-L78 HydrophobicContact CD2-CG 4.17Å; Y67-L78 HydrophobicContact CE2-CD2 3.9Å; Y67-L78 HydrophobicContact CE2-CG 3.97Å; L70-L78 HydrophobicContact CB-CD1 4.2Å; L70-L78 HydrophobicContact CB-CD2 3.72Å; L70-L78 HydrophobicContact CD1-CD1 4.22Å; K71-L78 HydrophobicContact CB-CD2 4.12Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.5Å; L78-L81 WeakPolarHBondContact O-CB 3.26Å; L78-L81 PolarHBondContact O-N 3.39Å; L78-V82 HydrophobicContact CD1-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CG2 3.21Å; L78-V82 PolarHBondContact O-N 3.3Å
79	D	70.2	Confident	70.8	Confident	40 Å²	40	75 Å²	75	21%	0.214	38%	0.378	C	S	.	.	H	α-helix	trans	-63.9	-45.3	-178	-70.8	-9.4	0	0	0	113	A46 Y67 L81 V82 Y83	A46-D79 HydrophobicContact CB-CB 3.76Å; Y67-D79 PolarHBondContact OH-OD1 3.1Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.02Å; D79-V82 PolarHBondContact O-N 3.2Å; D79-Y83 WeakPolarHBondContact O-CB 3.25Å; D79-Y83 PolarHBondContact O-N 3.47Å
80	P	66.4	Low	70	Confident	50 Å²	50	75.7 Å²	75.7	33%	0.325	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-38.9	169.6	-27.6	33.2	0	0	0	114.3	N77 Y83 L84	N77-P80 HydrophobicContact CB-CG 4.48Å; N77-P80 WeakPolarHBondContact O-CD 3.39Å; P80-Y83 PolarHBondContact O-N 3.06Å; P80-L84 WeakPolarHBondContact O-CB 3.42Å; P80-L84 PolarHBondContact O-N 3.28Å
81	L	69.8	Low	69.5	Low	91 Å²	91	74.6 Å²	74.6	48%	0.476	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-46	179.5	179.9	67.7	0	0	0	111.6	N77 L78 D79 Y83 L84 L85	N77-L81 WeakPolarHBondContact O-CB 3.44Å; N77-L81 PolarHBondContact O-N 3.41Å; N77-L81 VanDerWaalsContact O-N 3.16Å; L78-L81 WeakPolarHBondContact O-CB 3.26Å; L78-L81 PolarHBondContact O-N 3.39Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.02Å; L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 PolarHBondContact O-N 3.12Å; L81-L84 PolarHBondContact O-N 3.38Å; L81-L85 HydrophobicContact CD1-CD1 4.49Å; L81-L85 HydrophobicContact CG-CD1 4.18Å; L81-L85 WeakPolarHBondContact O-CB 3.46Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 2.97Å
82	V	72.2	Confident	68.8	Low	7 Å²	7	78.1 Å²	78.1	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-37.5	177.8	173.4	0	0	0	0	110.7	K50 L53 F63 Y67 L78 D79 S86	K50-V82 HydrophobicContact CB-CG1 4.36Å; L53-V82 HydrophobicContact CD1-CG1 3.7Å; L53-V82 WeakPolarHBondContact CD1-O 3.5Å; F63-V82 HydrophobicContact CZ-CG1 4.48Å; Y67-V82 HydrophobicContact CD2-CG2 3.8Å; Y67-V82 HydrophobicContact CE2-CB 4.41Å; Y67-V82 HydrophobicContact CE2-CG1 4.49Å; Y67-V82 HydrophobicContact CE2-CG2 3.83Å; L78-V82 HydrophobicContact CD1-CG2 4.43Å; L78-V82 WeakPolarHBondContact O-CG2 3.21Å; L78-V82 PolarHBondContact O-N 3.3Å; D79-V82 PolarHBondContact O-N 3.2Å; V82-S86 WeakPolarHBondContact O-CB 3.43Å; V82-S86 PolarHBondContact O-N 3.2Å
83	Y	69.1	Low	67.9	Low	51 Å²	51	78.9 Å²	78.9	20%	0.2	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-45.3	174.2	-170.2	-102.7	0	0	0	112.7	L31 H35 S45 A49 D79 P80 L81 L85 S86 K87	L31-Y83 HydrophobicContact CD2-CE1 4.26Å; H35-Y83 AromaticContact NE2-CE1 3.66Å; S45-Y83 VanDerWaalsContact CB-CE2 3.44Å; S45-Y83 WeakPolarHBondContact O-CD2 3.05Å; S45-Y83 WeakPolarHBondContact OG-CD2 3.44Å; A49-Y83 HydrophobicContact CB-CD2 3.74Å; D79-Y83 WeakPolarHBondContact O-CB 3.25Å; D79-Y83 PolarHBondContact O-N 3.47Å; P80-Y83 PolarHBondContact O-N 3.06Å; L81-Y83 VanDerWaalsContact C-N 3.28Å; L81-Y83 PolarHBondContact O-N 3.12Å; Y83-L85 PolarHBondContact O-N 3.17Å; Y83-S86 PolarHBondContact O-N 2.52Å; Y83-K87 HydrophobicContact CE1-CG 4.36Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-K87 VanDerWaalsContact O-N 3.14Å
84	L	67.1	Low	67.1	Low	46 Å²	46	72.7 Å²	72.7	24%	0.241	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-46.3	176.1	-178.9	68.6	0	0	0	111.6	P80 L81 S86 K87 L88	P80-L84 WeakPolarHBondContact O-CB 3.42Å; P80-L84 PolarHBondContact O-N 3.28Å; L81-L84 PolarHBondContact O-N 3.38Å; L84-S86 VanDerWaalsContact C-N 3.31Å; L84-S86 PolarHBondContact O-N 2.98Å; L84-K87 PolarHBondContact O-N 2.78Å; L84-K87 VanDerWaalsContact O-N 3.1Å; L84-L88 HydrophobicContact CG-CD1 4.08Å; L84-L88 HydrophobicContact CG-CG 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.49Å; L84-L88 PolarHBondContact O-N 3.39Å
85	L	68	Low	67	Low	75 Å²	75	68.4 Å²	68.4	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-39.9	177.8	-72.6	172.4	0	0	0	111.7	L53 L81 Y83 K87 L88 C89	L53-L85 HydrophobicContact CD1-CB 3.92Å; L53-L85 HydrophobicContact CD2-CB 4.37Å; L81-L85 HydrophobicContact CD1-CD1 4.49Å; L81-L85 HydrophobicContact CG-CD1 4.18Å; L81-L85 WeakPolarHBondContact O-CB 3.46Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 2.97Å; Y83-L85 PolarHBondContact O-N 3.17Å; L85-K87 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.27Å; L85-C89 WeakPolarHBondContact O-CB 3.48Å; L85-C89 PolarHBondContact O-N 2.68Å; L85-C89 PolarHBondContact O-SG 2.98Å; L85-C89 VanDerWaalsContact O-SG 3.36Å
86	S	72.2	Confident	66.5	Low	7 Å²	7	71.1 Å²	71.1	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-34.4	175.5	-179.9	0	0	0	0	112.1	V82 Y83 L84 E90	V82-S86 WeakPolarHBondContact O-CB 3.43Å; V82-S86 PolarHBondContact O-N 3.2Å; Y83-S86 PolarHBondContact O-N 2.52Å; L84-S86 VanDerWaalsContact C-N 3.31Å; L84-S86 PolarHBondContact O-N 2.98Å; S86-E90 PolarHBondContact O-N 3.45Å
87	K	66.1	Low	66.6	Low	84 Å²	84	61.9 Å²	61.9	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-80	-36.4	177.9	-75.6	-62.8	-172.6	179.7	0	113.2	Y83 L84 L85 C89 E90 D91	Y83-K87 HydrophobicContact CE1-CG 4.36Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-K87 VanDerWaalsContact O-N 3.14Å; L84-K87 PolarHBondContact O-N 2.78Å; L84-K87 VanDerWaalsContact O-N 3.1Å; L85-K87 PolarHBondContact O-N 3.36Å; K87-C89 PolarHBondContact O-N 3.42Å; K87-E90 VanDerWaalsContact CD-OE2 3.23Å; K87-E90 WeakPolarHBondContact CD-OE2 3.29Å; K87-E90 WeakPolarHBondContact CE-OE2 3.41Å; K87-E90 IonicContact NZ-OE2 3.39Å; K87-E90 PolarHBondContact NZ-OE2 2.77Å; K87-E90 WeakPolarHBondContact O-CB 3.14Å; K87-E90 PolarHBondContact O-N 2.96Å; K87-D91 PolarHBondContact O-N 2.69Å
88	L	65.3	Low	66.6	Low	46 Å²	46	59.5 Å²	59.5	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-33.2	169.9	-73	171.1	0	0	0	111.6	L84 L85 E90 T94	L84-L88 HydrophobicContact CG-CD1 4.08Å; L84-L88 HydrophobicContact CG-CG 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.49Å; L84-L88 PolarHBondContact O-N 3.39Å; L85-L88 PolarHBondContact O-N 3.27Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.01Å; L88-T94 PolarHBondContact O-OG1 3.46Å
89	C	64.6	Low	66.2	Low	47 Å²	47	64.6 Å²	64.6	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-24.8	172.3	-73.5	0	0	0	0	114	L53 L85 K87 L95	L53-C89 HydrophobicContact CD2-CB 4.48Å; L85-C89 WeakPolarHBondContact O-CB 3.48Å; L85-C89 PolarHBondContact O-N 2.68Å; L85-C89 PolarHBondContact O-SG 2.98Å; L85-C89 VanDerWaalsContact O-SG 3.36Å; K87-C89 PolarHBondContact O-N 3.42Å; C89-L95 HydrophobicContact CB-CD1 4.49Å
90	E	66.2	Low	66	Low	81 Å²	81	68.3 Å²	68.3	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-78.1	-27.3	177.5	-75.2	178.6	-179.7	0	0	112.1	K52 S86 K87 L88 K92	K52-E90 IonicContact NZ-OE1 3.63Å; K52-E90 PolarHBondContact NZ-OE1 3.22Å; S86-E90 PolarHBondContact O-N 3.45Å; K87-E90 VanDerWaalsContact CD-OE2 3.23Å; K87-E90 WeakPolarHBondContact CD-OE2 3.29Å; K87-E90 WeakPolarHBondContact CE-OE2 3.41Å; K87-E90 IonicContact NZ-OE2 3.39Å; K87-E90 PolarHBondContact NZ-OE2 2.77Å; K87-E90 WeakPolarHBondContact O-CB 3.14Å; K87-E90 PolarHBondContact O-N 2.96Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.01Å; E90-K92 PolarHBondContact O-N 2.95Å
91	D	65.9	Low	65.8	Low	34 Å²	34	68.2 Å²	68.2	18%	0.182	34%	0.336	C	S	.	.			trans	-84.4	99.8	179.6	-170.6	-8.1	0	0	0	112.1	Y28 K87 E93 T94 L95	Y28-D91 PolarHBondContact OH-OD2 3.36Å; K87-D91 PolarHBondContact O-N 2.69Å; D91-E93 VanDerWaalsContact C-N 3.27Å; D91-E93 PolarHBondContact O-N 2.94Å; D91-E93 PolarHBondContact OD1-N 2.87Å; D91-T94 HydrophobicContact CB-CG2 4.24Å; D91-T94 PolarHBondContact O-N 3.05Å; D91-T94 PolarHBondContact O-OG1 3.23Å; D91-T94 VanDerWaalsContact OD2-CG2 3.32Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; D91-L95 PolarHBondContact O-N 3.02Å; D91-L95 VanDerWaalsContact O-N 3.14Å
92	K	61.9	Low	65.4	Low	165 Å²	165	66.8 Å²	66.8	72%	0.717	34%	0.338	S	S	*	.	H	α-helix	trans	-60.9	-31.2	-174.5	-70.3	-177.6	179.7	176.7	0	113.6	E90 Q96	E90-K92 PolarHBondContact O-N 2.95Å; K92-Q96 WeakPolarHBondContact O-CB 3.36Å; K92-Q96 VanDerWaalsContact O-CG 3.28Å; K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.07Å; K92-Q96 VanDerWaalsContact O-N 3.1Å
93	E	59.5	Low	64.8	Low	109 Å²	109	72.5 Å²	72.5	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-72.2	-44.4	-179.1	-69.2	-173.2	-178.6	0	0	110.6	D91 L95 Q96 S97	D91-E93 VanDerWaalsContact C-N 3.27Å; D91-E93 PolarHBondContact O-N 2.94Å; D91-E93 PolarHBondContact OD1-N 2.87Å; E93-L95 PolarHBondContact O-N 3.49Å; E93-Q96 PolarHBondContact O-N 2.87Å; E93-S97 PolarHBondContact O-N 3.22Å; E93-S97 PolarHBondContact O-OG 2.84Å; E93-S97 VanDerWaalsContact O-OG 3.13Å
94	T	63.4	Low	64.1	Low	2 Å²	2	74.8 Å²	74.8	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-39	177.1	67	0	0	0	0	112.2	V19 L88 D91 S97 L98	V19-T94 HydrophobicContact CB-CG2 4.49Å; V19-T94 HydrophobicContact CG1-CG2 3.93Å; V19-T94 HydrophobicContact CG2-CG2 3.94Å; L88-T94 PolarHBondContact O-OG1 3.46Å; D91-T94 HydrophobicContact CB-CG2 4.24Å; D91-T94 PolarHBondContact O-N 3.05Å; D91-T94 PolarHBondContact O-OG1 3.23Å; D91-T94 VanDerWaalsContact OD2-CG2 3.32Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.49Å; T94-S97 PolarHBondContact O-N 2.88Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 WeakPolarHBondContact O-CG 3.27Å; T94-L98 PolarHBondContact O-N 3.41Å
95	L	66.1	Low	63.4	Low	56 Å²	56	82.1 Å²	82.1	29%	0.293	40%	0.399	S	S	.	.	H	α-helix	trans	-68.6	-39.7	179.9	-166	150.5	0	0	0	111.7	C89 D91 E93 L98 Q99	C89-L95 HydrophobicContact CB-CD1 4.49Å; D91-L95 PolarHBondContact O-N 3.02Å; D91-L95 VanDerWaalsContact O-N 3.14Å; E93-L95 PolarHBondContact O-N 3.49Å; L95-L98 PolarHBondContact O-N 3.21Å; L95-Q99 HydrophobicContact CD2-CG 4.21Å; L95-Q99 WeakPolarHBondContact O-CB 3.47Å; L95-Q99 WeakPolarHBondContact O-CG 3.47Å; L95-Q99 PolarHBondContact O-N 3.45Å
96	Q	63.5	Low	62.6	Low	127 Å²	127	82.3 Å²	82.3	59%	0.593	41%	0.407	S	S	*	.	H	α-helix	trans	-64.6	-43.2	173.3	-75.9	179.2	3.3	0	0	111.6	K92 E93 L98 Q99 Q100	K92-Q96 WeakPolarHBondContact O-CB 3.36Å; K92-Q96 VanDerWaalsContact O-CG 3.28Å; K92-Q96 WeakPolarHBondContact O-CG 3.45Å; K92-Q96 PolarHBondContact O-N 3.07Å; K92-Q96 VanDerWaalsContact O-N 3.1Å; E93-Q96 PolarHBondContact O-N 2.87Å; Q96-L98 PolarHBondContact O-N 3.29Å; Q96-Q99 PolarHBondContact O-N 3.41Å; Q96-Q100 WeakPolarHBondContact O-CB 3.41Å; Q96-Q100 PolarHBondContact O-N 3.28Å
97	S	63.4	Low	61.4	Low	36 Å²	36	88.3 Å²	88.3	25%	0.252	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-37	175.9	-63.1	0	0	0	0	113.3	E93 T94 Q100 N101	E93-S97 PolarHBondContact O-N 3.22Å; E93-S97 PolarHBondContact O-OG 2.84Å; E93-S97 VanDerWaalsContact O-OG 3.13Å; T94-S97 PolarHBondContact O-N 2.88Å; S97-Q100 PolarHBondContact O-N 3.31Å; S97-N101 WeakPolarHBondContact O-CB 3.23Å; S97-N101 PolarHBondContact O-N 3.27Å; S97-N101 PolarHBondContact O-ND2 3.2Å
98	L	64.3	Low	60.4	Low	76 Å²	76	88.6 Å²	88.6	40%	0.398	45%	0.447	S	S	.	.	H	α-helix	trans	-66.6	-41.6	174.3	-81.8	165.4	0	0	0	111.9	L17 T94 L95 Q96 A102	L17-L98 HydrophobicContact CD1-CD2 4.35Å; L17-L98 HydrophobicContact CD2-CD2 3.33Å; L17-L98 HydrophobicContact CD2-CG 3.98Å; L17-L98 HydrophobicContact CG-CD2 4.49Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 WeakPolarHBondContact O-CG 3.27Å; T94-L98 PolarHBondContact O-N 3.41Å; L95-L98 PolarHBondContact O-N 3.21Å; Q96-L98 PolarHBondContact O-N 3.29Å; L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 3.15Å
99	Q	66.1	Low	59.1	Low	126 Å²	126	90.7 Å²	90.7	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-65.9	-41.8	175	-76	-179.6	-11.8	0	0	111.5	L95 Q96 A102 K103	L95-Q99 HydrophobicContact CD2-CG 4.21Å; L95-Q99 WeakPolarHBondContact O-CB 3.47Å; L95-Q99 WeakPolarHBondContact O-CG 3.47Å; L95-Q99 PolarHBondContact O-N 3.45Å; Q96-Q99 PolarHBondContact O-N 3.41Å; Q99-A102 PolarHBondContact O-N 2.96Å; Q99-K103 WeakPolarHBondContact O-CB 3.41Å; Q99-K103 PolarHBondContact O-N 3.37Å
100	Q	66.1	Low	57.6	Low	119 Å²	119	95.2 Å²	95.2	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-61.6	-49.9	176.2	-166.7	84.9	11.6	0	0	110.9	Q96 S97 A102 K103 E104	Q96-Q100 WeakPolarHBondContact O-CB 3.41Å; Q96-Q100 PolarHBondContact O-N 3.28Å; S97-Q100 PolarHBondContact O-N 3.31Å; Q100-A102 PolarHBondContact O-N 3.26Å; Q100-K103 WeakPolarHBondContact O-CB 3.45Å; Q100-K103 PolarHBondContact O-N 3.21Å; Q100-K103 VanDerWaalsContact O-N 3.12Å; Q100-E104 WeakPolarHBondContact O-CG 3.45Å; Q100-E104 PolarHBondContact O-N 2.88Å
101	N	61.6	Low	56.5	Low	47 Å²	47	96.7 Å²	96.7	25%	0.251	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-36.7	177.3	-91.8	-56.8	0	0	0	113.2	S97 K103 R105	S97-N101 WeakPolarHBondContact O-CB 3.23Å; S97-N101 PolarHBondContact O-N 3.27Å; S97-N101 PolarHBondContact O-ND2 3.2Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-R105 WeakPolarHBondContact O-CB 3.32Å; N101-R105 PolarHBondContact O-N 2.7Å
102	A	60.3	Low	54.7	Low	62 Å²	62	101.3 Å²	101.3	51%	0.512	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-36.9	174.1	0	0	0	0	0	111.3	L98 Q99 Q100 S106	L98-A102 VanDerWaalsContact O-CB 3.25Å; L98-A102 WeakPolarHBondContact O-CB 3.38Å; L98-A102 PolarHBondContact O-N 3.15Å; Q99-A102 PolarHBondContact O-N 2.96Å; Q100-A102 PolarHBondContact O-N 3.26Å; A102-S106 WeakPolarHBondContact O-CB 3.43Å; A102-S106 PolarHBondContact O-N 3.43Å
103	K	60.3	Low	53	Low	127 Å²	127	100 Å²	100	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-68.5	-47	175.6	-145.3	177.8	-178.2	-171.7	0	111.2	Q99 Q100 N101 R105 S106 E107	Q99-K103 WeakPolarHBondContact O-CB 3.41Å; Q99-K103 PolarHBondContact O-N 3.37Å; Q100-K103 WeakPolarHBondContact O-CB 3.45Å; Q100-K103 PolarHBondContact O-N 3.21Å; Q100-K103 VanDerWaalsContact O-N 3.12Å; N101-K103 VanDerWaalsContact C-N 3.29Å; K103-R105 PolarHBondContact O-N 3.13Å; K103-S106 CarbonylContact O-C 3.57Å; K103-S106 PolarHBondContact O-N 3.33Å; K103-S106 VanDerWaalsContact O-N 3.12Å; K103-S106 PolarHBondContact O-OG 3.15Å; K103-E107 WeakPolarHBondContact O-CB 3.41Å; K103-E107 WeakPolarHBondContact O-CG 3.46Å; K103-E107 PolarHBondContact O-N 3.41Å
104	E	54.6	Low	51.5	Low	99 Å²	99	100.8 Å²	100.8	46%	0.463	55%	0.55	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175.7	-73.9	177.3	-171.6	0	0	112.4	Q100 E107 S108	Q100-E104 WeakPolarHBondContact O-CG 3.45Å; Q100-E104 PolarHBondContact O-N 2.88Å; E104-E107 CarbonylContact O-C 3.58Å; E104-E107 PolarHBondContact O-N 3.43Å; E104-S108 VanDerWaalsContact O-CB 3.29Å; E104-S108 WeakPolarHBondContact O-CB 3.47Å; E104-S108 PolarHBondContact O-N 3.39Å; E104-S108 PolarHBondContact O-OG 3.28Å
105	R	52.9	Low	49.7	Very low	200 Å²	200	106.4 Å²	106.4	76%	0.755	59%	0.585	S	S	*	*	H	α-helix	trans	-66.3	-37.4	172.4	-87.5	-174.3	175.4	-177	0.2	112.8	N101 K103 E107 S108	N101-R105 WeakPolarHBondContact O-CB 3.32Å; N101-R105 PolarHBondContact O-N 2.7Å; K103-R105 PolarHBondContact O-N 3.13Å; R105-E107 VanDerWaalsContact C-N 3.26Å; R105-E107 PolarHBondContact O-N 3.35Å; R105-S108 WeakPolarHBondContact CA-OG 3.41Å; R105-S108 PolarHBondContact O-N 3.2Å; R105-S108 PolarHBondContact O-OG 3.49Å; R105-S108 VanDerWaalsContact O-OG 3.08Å
106	S	51.1	Low	47.8	Very low	79 Å²	79	108.4 Å²	108.4	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-68.7	-27	174.8	77.5	0	0	0	0	112.7	A102 K103	A102-S106 WeakPolarHBondContact O-CB 3.43Å; A102-S106 PolarHBondContact O-N 3.43Å; K103-S106 CarbonylContact O-C 3.57Å; K103-S106 PolarHBondContact O-N 3.33Å; K103-S106 VanDerWaalsContact O-N 3.12Å; K103-S106 PolarHBondContact O-OG 3.15Å
107	E	46.7	Very low	45.9	Very low	132 Å²	132	113.4 Å²	113.4	62%	0.617	62%	0.618	S	S	*	*	H	α-helix	trans	-88	-22.7	177.9	-71	175	-174.4	0	0	112.7	K103 E104 R105	K103-E107 WeakPolarHBondContact O-CB 3.41Å; K103-E107 WeakPolarHBondContact O-CG 3.46Å; K103-E107 PolarHBondContact O-N 3.41Å; E104-E107 CarbonylContact O-C 3.58Å; E104-E107 PolarHBondContact O-N 3.43Å; R105-E107 VanDerWaalsContact C-N 3.26Å; R105-E107 PolarHBondContact O-N 3.35Å
108	S	44.7	Very low	44.1	Very low	91 Å²	91	118.3 Å²	118.3	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-84.7	-7.2	179.7	70.4	0	0	0	0	115.9	E104 R105 N110	E104-S108 VanDerWaalsContact O-CB 3.29Å; E104-S108 WeakPolarHBondContact O-CB 3.47Å; E104-S108 PolarHBondContact O-N 3.39Å; E104-S108 PolarHBondContact O-OG 3.28Å; R105-S108 WeakPolarHBondContact CA-OG 3.41Å; R105-S108 PolarHBondContact O-N 3.2Å; R105-S108 PolarHBondContact O-OG 3.49Å; R105-S108 VanDerWaalsContact O-OG 3.08Å; S108-N110 PolarHBondContact O-N 3.44Å
109	S	38.9	Very low	42.2	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	67%	0.668	S	S	*	*			trans	-93.8	68.8	175.9	66.9	0	0	0	0	111.5
110	N	31.9	Very low	40.2	Very low	142 Å²	142	122.2 Å²	122.2	76%	0.759	68%	0.678	S	S	*	*			trans	-86	132.7	160.1	-95.7	-22.3	0	0	0	109.5	S108	S108-N110 PolarHBondContact O-N 3.44Å
111	P	42.8	Very low	38.4	Very low	113 Å²	113	125 Å²	125	73%	0.734	69%	0.691	S	S	*	*			trans	-82.6	133.3	177.9	33.5	-30.4	0	0	0	109.5
112	T	28.6	Very low	36.9	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	72%	0.719	S	S	*	*			trans	-156.4	143.2	162	-0.3	0	0	0	0	112
113	T	27.1	Very low	35.5	Very low	137 Å²	137	132.2 Å²	132.2	84%	0.84	73%	0.731	S	S	*	*			trans	76.6	113.1	-171.1	57.1	0	0	0	0	113.6
114	V	26.8	Very low	34.3	Very low	126 Å²	126	132.7 Å²	132.7	76%	0.764	75%	0.745	S	S	*	*			cis	-159.3	136.2	38	172.7	0	0	0	0	111.8
115	T	26.3	Very low	33.6	Very low	121 Å²	121	138 Å²	138	74%	0.742	77%	0.766	S	S	*	*			trans	27	115.4	157.8	57	0	0	0	0	124.5
116	S	25.2	Very low	32.8	Very low	97 Å²	97	132 Å²	132	68%	0.678	75%	0.747	S	S	*	*			trans	18.9	122.2	136.6	60.2	0	0	0	0	122.9
117	Y	24.9	Very low	33.2	Very low	233 Å²	233	131 Å²	131	91%	0.914	74%	0.741	S	S	*	*				-160.7	138.1	107.9	-96	-76.3	0	0	0	110.2
118	T	25.1	Very low	33.2	Very low	139 Å²	139	132.2 Å²	132.2	85%	0.853	75%	0.748	S	S	*	*			trans	-105.1	131.2	-160.9	23.3	0	0	0	0	114.7
119	L	23.5	Very low	33.2	Very low	160 Å²	160	135.9 Å²	135.9	84%	0.838	76%	0.755	S	S	*	*			trans	-126	146.1	151.4	-95.9	134.6	0	0	0	107.6	Q121	L119-Q121 PolarHBondContact O-N 3.07Å
120	P	25.7	Very low	33.6	Very low	123 Å²	123	136 Å²	136	80%	0.799	75%	0.746	S	S	*	*			trans	-78.5	126.4	-158.4	29.8	-32.3	0	0	0	112.7
121	Q	27.9	Very low	34.3	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	73%	0.732	S	S	*	*			trans	-118	108.5	170.6	-73.5	-173.2	-18.8	0	0	109.9	L119	L119-Q121 PolarHBondContact O-N 3.07Å
122	T	28.7	Very low	34.4	Very low	137 Å²	137	132.5 Å²	132.5	84%	0.84	72%	0.721	S	S	*	*			trans	-89.4	110.2	158.5	49.3	0	0	0	0	108
123	T	32	Very low	35.6	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	71%	0.706	S	S	*	*			trans	-141.7	83.7	164	49.7	0	0	0	0	111.5
124	T	34.8	Very low	36.4	Very low	138 Å²	138	128.2 Å²	128.2	85%	0.847	68%	0.684	S	S	*	*			trans	-63.4	125.7	148.9	13.1	0	0	0	0	108	M126	T124-M126 PolarHBondContact O-N 3.41Å
125	K	39.9	Very low	37.4	Very low	209 Å²	209	130.8 Å²	130.8	91%	0.909	68%	0.68	S	S	*	*			trans	-69.8	113.8	175.6	-75.7	-178.4	-179.7	176.1	0	109.2
126	M	37.3	Very low	38.4	Very low	74 Å²	74	132.5 Å²	132.5	37%	0.365	68%	0.677	S	S	.	*			trans	-74.6	130.2	-173.4	-156.9	171.5	78.6	0	0	110.9	T124 E130 L131 L134	T124-M126 PolarHBondContact O-N 3.41Å; M126-E130 WeakPolarHBondContact CA-OE2 3.44Å; M126-E130 HydrophobicContact CB-CB 4.37Å; M126-E130 WeakPolarHBondContact CE-O 3.31Å; M126-E130 HydrophobicContact CG-CB 3.2Å; M126-E130 HydrophobicContact CG-CG 4.16Å; M126-E130 WeakPolarHBondContact CG-OE2 3.18Å; M126-E130 HydrophobicContact SD-CB 4.22Å; M126-L131 HydrophobicContact CE-CB 4.14Å; M126-L131 HydrophobicContact CE-CD1 3.66Å; M126-L131 HydrophobicContact CE-CG 4.48Å; M126-L134 HydrophobicContact CE-CB 3.61Å; M126-L134 HydrophobicContact CE-CD1 3.64Å; M126-L134 HydrophobicContact CE-CD2 3.78Å; M126-L134 HydrophobicContact CE-CG 3.81Å; M126-L134 HydrophobicContact SD-CB 4.41Å; M126-L134 HydrophobicContact SD-CD1 3.24Å; M126-L134 WeakPolarHBondContact SD-CD1 3.28Å; M126-L134 HydrophobicContact SD-CD2 4.09Å; M126-L134 HydrophobicContact SD-CG 4.06Å
127	S	58.4	Low	39.2	Very low	59 Å²	59	133.6 Å²	133.6	41%	0.413	67%	0.67	S	S	.	*			trans	-68.1	159.3	-178.9	67.1	0	0	0	0	112.3	Q129 E130 L131	S127-Q129 PolarHBondContact O-N 2.92Å; S127-Q129 VanDerWaalsContact O-N 3.14Å; S127-E130 PolarHBondContact N-OE2 3.08Å; S127-E130 CarbonylContact O-C 3.6Å; S127-E130 WeakPolarHBondContact O-CA 2.87Å; S127-E130 WeakPolarHBondContact O-CB 3.41Å; S127-E130 PolarHBondContact O-N 3.23Å; S127-E130 WeakPolarHBondContact OG-CG 3.47Å; S127-E130 PolarHBondContact OG-N 3.35Å; S127-E130 PolarHBondContact OG-OE2 3.1Å; S127-L131 PolarHBondContact O-N 3.43Å
128	M	46.6	Very low	39.9	Very low	158 Å²	158	127.6 Å²	127.6	78%	0.778	65%	0.653	S	S	*	*	H	α-helix	trans	-56.9	-29.7	178.4	-88	179.9	69.9	0	0	113.3	L131 D132	M128-L131 PolarHBondContact O-N 3.48Å; M128-D132 PolarHBondContact O-N 3.44Å
129	Q	44.8	Very low	40.4	Very low	167 Å²	167	122.7 Å²	122.7	78%	0.78	63%	0.63	S	S	*	*	H	α-helix	trans	-71	-38.9	171.7	-96.1	177.8	-22.6	0	0	112.4	S127 L131 D132 E133	S127-Q129 PolarHBondContact O-N 2.92Å; S127-Q129 VanDerWaalsContact O-N 3.14Å; Q129-L131 VanDerWaalsContact C-N 3.28Å; Q129-L131 PolarHBondContact O-N 3.48Å; Q129-D132 PolarHBondContact O-N 3.22Å; Q129-E133 WeakPolarHBondContact O-CB 3.42Å; Q129-E133 PolarHBondContact O-N 3.26Å
130	E	47	Very low	41.1	Very low	92 Å²	92	120.3 Å²	120.3	43%	0.43	62%	0.618	S	S	.	*	H	α-helix	trans	-70.9	-24.4	172.2	-70.1	172.4	144.6	0	0	111.9	M126 S127 L134	M126-E130 WeakPolarHBondContact CA-OE2 3.44Å; M126-E130 HydrophobicContact CB-CB 4.37Å; M126-E130 WeakPolarHBondContact CE-O 3.31Å; M126-E130 HydrophobicContact CG-CB 3.2Å; M126-E130 HydrophobicContact CG-CG 4.16Å; M126-E130 WeakPolarHBondContact CG-OE2 3.18Å; M126-E130 HydrophobicContact SD-CB 4.22Å; S127-E130 PolarHBondContact N-OE2 3.08Å; S127-E130 CarbonylContact O-C 3.6Å; S127-E130 WeakPolarHBondContact O-CA 2.87Å; S127-E130 WeakPolarHBondContact O-CB 3.41Å; S127-E130 PolarHBondContact O-N 3.23Å; S127-E130 WeakPolarHBondContact OG-CG 3.47Å; S127-E130 PolarHBondContact OG-N 3.35Å; S127-E130 PolarHBondContact OG-OE2 3.1Å; E130-L134 WeakPolarHBondContact O-CA 3.18Å; E130-L134 VanDerWaalsContact O-CB 3.25Å; E130-L134 WeakPolarHBondContact O-CB 3.17Å; E130-L134 PolarHBondContact O-N 3.44Å
131	L	46.7	Very low	41.5	Very low	90 Å²	90	118 Å²	118	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-74.7	-36.9	172.6	-163.9	78.7	0	0	0	112.2	M126 S127 M128 Q129 L134 R135	M126-L131 HydrophobicContact CE-CB 4.14Å; M126-L131 HydrophobicContact CE-CD1 3.66Å; M126-L131 HydrophobicContact CE-CG 4.48Å; S127-L131 PolarHBondContact O-N 3.43Å; M128-L131 PolarHBondContact O-N 3.48Å; Q129-L131 VanDerWaalsContact C-N 3.28Å; Q129-L131 PolarHBondContact O-N 3.48Å; L131-L134 CarbonylContact O-C 3.58Å; L131-L134 PolarHBondContact O-N 3.22Å; L131-R135 WeakPolarHBondContact O-CB 3.49Å; L131-R135 PolarHBondContact O-N 3.31Å
132	D	45.8	Very low	41.8	Very low	92 Å²	92	113.2 Å²	113.2	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-75.2	-35.3	171.4	-87.9	-21.2	0	0	0	111.8	M128 Q129 L134 R135 K136	M128-D132 PolarHBondContact O-N 3.44Å; Q129-D132 PolarHBondContact O-N 3.22Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-R135 PolarHBondContact O-N 2.91Å; D132-K136 WeakPolarHBondContact O-CB 3.47Å; D132-K136 PolarHBondContact O-N 3.46Å
133	E	52.9	Low	42	Very low	106 Å²	106	110.8 Å²	110.8	50%	0.495	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-34.3	165.6	-81.8	-163.5	174.9	0	0	112.1	Q129 K136 K137	Q129-E133 WeakPolarHBondContact O-CB 3.42Å; Q129-E133 PolarHBondContact O-N 3.26Å; E133-K136 CarbonylContact O-C 3.52Å; E133-K136 PolarHBondContact O-N 2.95Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 VanDerWaalsContact O-CG 3.23Å; E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 3.34Å; E133-K137 IonicContact OE2-NZ 3.96Å; E133-K137 PolarHBondContact OE2-NZ 2.83Å
134	L	44.7	Very low	42	Very low	71 Å²	71	109.5 Å²	109.5	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-71.8	-33.1	172.4	-121.8	87.6	0	0	0	111.3	M126 E130 L131 D132 K136 K137 L138	M126-L134 HydrophobicContact CE-CB 3.61Å; M126-L134 HydrophobicContact CE-CD1 3.64Å; M126-L134 HydrophobicContact CE-CD2 3.78Å; M126-L134 HydrophobicContact CE-CG 3.81Å; M126-L134 HydrophobicContact SD-CB 4.41Å; M126-L134 HydrophobicContact SD-CD1 3.24Å; M126-L134 WeakPolarHBondContact SD-CD1 3.28Å; M126-L134 HydrophobicContact SD-CD2 4.09Å; M126-L134 HydrophobicContact SD-CG 4.06Å; E130-L134 WeakPolarHBondContact O-CA 3.18Å; E130-L134 VanDerWaalsContact O-CB 3.25Å; E130-L134 WeakPolarHBondContact O-CB 3.17Å; E130-L134 PolarHBondContact O-N 3.44Å; L131-L134 CarbonylContact O-C 3.58Å; L131-L134 PolarHBondContact O-N 3.22Å; D132-L134 VanDerWaalsContact C-N 3.32Å; L134-K136 VanDerWaalsContact C-N 3.35Å; L134-K137 CarbonylContact O-C 3.26Å; L134-K137 PolarHBondContact O-N 2.73Å; L134-L138 HydrophobicContact CD2-CD1 3.89Å; L134-L138 HydrophobicContact CG-CD1 4.33Å; L134-L138 WeakPolarHBondContact O-CA 3.38Å; L134-L138 WeakPolarHBondContact O-CB 3.5Å; L134-L138 WeakPolarHBondContact O-CD1 3.38Å; L134-L138 PolarHBondContact O-N 3.06Å
135	R	46.8	Very low	41.7	Very low	180 Å²	180	105.5 Å²	105.5	68%	0.679	56%	0.56	S	S	*	*	H	α-helix	trans	-68	-35.4	170.2	-94.2	179.9	169	168.8	-3.1	111.7	L131 D132 G139	L131-R135 WeakPolarHBondContact O-CB 3.49Å; L131-R135 PolarHBondContact O-N 3.31Å; D132-R135 PolarHBondContact O-N 2.91Å; R135-G139 WeakPolarHBondContact O-CA 3.41Å; R135-G139 PolarHBondContact O-N 3.1Å
136	K	48.1	Very low	41.2	Very low	156 Å²	156	104.1 Å²	104.1	68%	0.678	56%	0.563	S	S	*	*	H	α-helix	trans	-72.2	-38.2	173.4	-125.5	175	179.7	178	0	111.5	D132 E133 L134 G139 N140	D132-K136 WeakPolarHBondContact O-CB 3.47Å; D132-K136 PolarHBondContact O-N 3.46Å; E133-K136 CarbonylContact O-C 3.52Å; E133-K136 PolarHBondContact O-N 2.95Å; L134-K136 VanDerWaalsContact C-N 3.35Å; K136-G139 PolarHBondContact O-N 2.8Å; K136-N140 VanDerWaalsContact O-CB 3.29Å; K136-N140 WeakPolarHBondContact O-CB 3.2Å; K136-N140 PolarHBondContact O-N 3.01Å; K136-N140 PolarHBondContact O-OD1 3Å
137	K	41.1	Very low	41	Very low	121 Å²	121	104 Å²	104	53%	0.526	57%	0.573	S	S	.	*	H	α-helix	trans	-74.4	-34.8	174.5	-74.7	169.1	178.5	159.6	0	111.8	E133 L134 N140 V141	E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 VanDerWaalsContact O-CG 3.23Å; E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 3.34Å; E133-K137 IonicContact OE2-NZ 3.96Å; E133-K137 PolarHBondContact OE2-NZ 2.83Å; L134-K137 CarbonylContact O-C 3.26Å; L134-K137 PolarHBondContact O-N 2.73Å; K137-N140 CarbonylContact O-C 3.58Å; K137-N140 PolarHBondContact O-N 3.13Å; K137-V141 VanDerWaalsContact O-CB 3.23Å; K137-V141 WeakPolarHBondContact O-CB 3.44Å; K137-V141 WeakPolarHBondContact O-CG2 3.48Å; K137-V141 PolarHBondContact O-N 3.46Å
138	L	39.6	Very low	40.4	Very low	106 Å²	106	104.6 Å²	104.6	56%	0.555	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-31.1	169.1	-99.7	120.5	0	0	0	111.6	L134 A142	L134-L138 HydrophobicContact CD2-CD1 3.89Å; L134-L138 HydrophobicContact CG-CD1 4.33Å; L134-L138 WeakPolarHBondContact O-CA 3.38Å; L134-L138 WeakPolarHBondContact O-CB 3.5Å; L134-L138 WeakPolarHBondContact O-CD1 3.38Å; L134-L138 PolarHBondContact O-N 3.06Å; L138-A142 WeakPolarHBondContact O-CA 3.32Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.08Å
139	G	35.8	Very low	40.7	Very low	37 Å²	37	102.6 Å²	102.6	38%	0.381	57%	0.568	S	S	.	*	H	α-helix	trans	-66.4	-41.3	169	0	0	0	0	0	110.8	R135 K136 A143	R135-G139 WeakPolarHBondContact O-CA 3.41Å; R135-G139 PolarHBondContact O-N 3.1Å; K136-G139 PolarHBondContact O-N 2.8Å; G139-A143 WeakPolarHBondContact O-CB 3.42Å; G139-A143 PolarHBondContact O-N 2.85Å
140	N	37.7	Very low	41.5	Very low	109 Å²	109	98.7 Å²	98.7	58%	0.583	56%	0.557	S	S	*	*	H	α-helix	trans	-74.1	-30	174.4	-71.5	-5.7	0	0	0	112.8	K136 K137 A143 S144	K136-N140 VanDerWaalsContact O-CB 3.29Å; K136-N140 WeakPolarHBondContact O-CB 3.2Å; K136-N140 PolarHBondContact O-N 3.01Å; K136-N140 PolarHBondContact O-OD1 3Å; K137-N140 CarbonylContact O-C 3.58Å; K137-N140 PolarHBondContact O-N 3.13Å; N140-A143 CarbonylContact O-C 3.5Å; N140-S144 VanDerWaalsContact O-CB 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.41Å; N140-S144 PolarHBondContact O-N 3.23Å; N140-S144 PolarHBondContact O-OG 3.28Å
141	V	35.1	Very low	42.3	Very low	76 Å²	76	96.3 Å²	96.3	46%	0.461	55%	0.553	S	S	.	*	H	α-helix	trans	-78.1	-38.3	173.6	169	0	0	0	0	110.6	K137 A143 S144 S145	K137-V141 VanDerWaalsContact O-CB 3.23Å; K137-V141 WeakPolarHBondContact O-CB 3.44Å; K137-V141 WeakPolarHBondContact O-CG2 3.48Å; K137-V141 PolarHBondContact O-N 3.46Å; V141-A143 PolarHBondContact O-N 3.42Å; V141-S144 WeakPolarHBondContact CA-OG 3.45Å; V141-S144 CarbonylContact O-C 3.28Å; V141-S144 VanDerWaalsContact O-C 3.26Å; V141-S144 WeakPolarHBondContact O-CA 3.41Å; V141-S144 PolarHBondContact O-N 3.37Å; V141-S145 WeakPolarHBondContact CG1-OG 3.22Å; V141-S145 WeakPolarHBondContact O-CB 3.31Å; V141-S145 PolarHBondContact O-N 2.9Å; V141-S145 PolarHBondContact O-OG 3.45Å
142	A	33.3	Very low	43.1	Very low	78 Å²	78	97.6 Å²	97.6	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-65.6	-31.1	168.9	0	0	0	0	0	111.5	L138 S144	L138-A142 WeakPolarHBondContact O-CA 3.32Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3.08Å; A142-S144 VanDerWaalsContact C-N 3.26Å; A142-S144 PolarHBondContact O-N 2.83Å
143	A	34.1	Very low	43.9	Very low	85 Å²	85	96.3 Å²	96.3	70%	0.702	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-9	168.6	0	0	0	0	0	113.7	G139 N140 V141	G139-A143 WeakPolarHBondContact O-CB 3.42Å; G139-A143 PolarHBondContact O-N 2.85Å; N140-A143 CarbonylContact O-C 3.5Å; V141-A143 PolarHBondContact O-N 3.42Å
144	S	31.3	Very low	44.5	Very low	95 Å²	95	92.7 Å²	92.7	66%	0.664	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	12.6	-178	60.3	0	0	0	0	115.9	N140 V141 A142	N140-S144 VanDerWaalsContact O-CB 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.41Å; N140-S144 PolarHBondContact O-N 3.23Å; N140-S144 PolarHBondContact O-OG 3.28Å; V141-S144 WeakPolarHBondContact CA-OG 3.45Å; V141-S144 CarbonylContact O-C 3.28Å; V141-S144 VanDerWaalsContact O-C 3.26Å; V141-S144 WeakPolarHBondContact O-CA 3.41Å; V141-S144 PolarHBondContact O-N 3.37Å; A142-S144 VanDerWaalsContact C-N 3.26Å; A142-S144 PolarHBondContact O-N 2.83Å
145	S	28.4	Very low	45.8	Very low	55 Å²	55	90.6 Å²	90.6	39%	0.385	52%	0.524	S	S	.	.			trans	-131.3	104.7	176.1	51	0	0	0	0	111.8	V141 A147	V141-S145 WeakPolarHBondContact CG1-OG 3.22Å; V141-S145 WeakPolarHBondContact O-CB 3.31Å; V141-S145 PolarHBondContact O-N 2.9Å; V141-S145 PolarHBondContact O-OG 3.45Å; S145-A147 PolarHBondContact O-N 3.44Å
146	N	30.9	Very low	46.9	Very low	180 Å²	180	88.5 Å²	88.5	96%	0.963	52%	0.52	S	S	*	.			trans	-66.6	45.8	158.9	-78.1	-26.5	0	0	0	111.3
147	A	32.3	Very low	47.9	Very low	71 Å²	71	85.9 Å²	85.9	59%	0.587	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-94.7	118.9	174.6	0	0	0	0	0	108.9	S145 L149	S145-A147 PolarHBondContact O-N 3.44Å; A147-L149 PolarHBondContact O-N 2.99Å
148	P	45.4	Very low	49.1	Very low	71 Å²	71	80.9 Å²	80.9	46%	0.461	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-64.2	134	-176.9	24	-30.9	0	0	0	110.9
149	L	52.7	Low	50.6	Low	116 Å²	116	79.1 Å²	79.1	61%	0.607	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-58.6	144.2	170.9	-75.7	159.5	0	0	0	109.9	A147 A151	A147-L149 PolarHBondContact O-N 2.99Å; L149-A151 PolarHBondContact O-N 2.86Å
150	P	61.5	Low	52	Low	86 Å²	86	81.8 Å²	81.8	56%	0.558	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-56.7	131.5	174.4	-22.7	32.4	0	0	0	110.8	E152 V153 T154	P150-E152 PolarHBondContact O-N 3.25Å; P150-V153 HydrophobicContact CB-CG2 4.29Å; P150-V153 HydrophobicContact CG-CG2 4.42Å; P150-V153 WeakPolarHBondContact O-CB 3.41Å; P150-V153 PolarHBondContact O-N 2.93Å; P150-T154 PolarHBondContact O-N 3.44Å
151	A	63.8	Low	53.5	Low	41 Å²	41	83 Å²	83	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-55	-23.2	-175.5	0	0	0	0	0	113.9	L149 R155	L149-A151 PolarHBondContact O-N 2.86Å; A151-R155 WeakPolarHBondContact O-CB 3.4Å; A151-R155 VanDerWaalsContact O-CG 3.27Å; A151-R155 WeakPolarHBondContact O-CG 3.43Å; A151-R155 PolarHBondContact O-N 3.38Å; A151-R155 VanDerWaalsContact O-N 3.13Å; A151-R155 PolarHBondContact O-NE 3.33Å
152	E	64.1	Low	55.2	Low	117 Å²	117	80.2 Å²	80.2	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-72.2	-36.9	174.9	-166.1	168.2	-175	0	0	113.6	P150 K156	P150-E152 PolarHBondContact O-N 3.25Å; E152-K156 WeakPolarHBondContact O-CB 3.38Å; E152-K156 PolarHBondContact O-N 2.68Å
153	V	62.4	Low	56.8	Low	65 Å²	65	78.9 Å²	78.9	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-68.9	-42.5	176.2	178.9	0	0	0	0	109.9	P150 K156 M157	P150-V153 HydrophobicContact CB-CG2 4.29Å; P150-V153 HydrophobicContact CG-CG2 4.42Å; P150-V153 WeakPolarHBondContact O-CB 3.41Å; P150-V153 PolarHBondContact O-N 2.93Å; V153-K156 PolarHBondContact O-N 2.97Å; V153-M157 HydrophobicContact CG1-SD 4.24Å; V153-M157 WeakPolarHBondContact O-CG 3.46Å; V153-M157 PolarHBondContact O-N 3.37Å
154	T	65.8	Low	58.3	Low	31 Å²	31	83.6 Å²	83.6	19%	0.19	45%	0.45	C	S	.	.	H	α-helix	trans	-60.5	-46.5	176	-49.2	0	0	0	0	111.2	P150 K156 M157 L158	P150-T154 PolarHBondContact O-N 3.44Å; T154-K156 PolarHBondContact O-N 3Å; T154-M157 PolarHBondContact O-N 2.97Å; T154-L158 HydrophobicContact CG2-CD1 4.18Å; T154-L158 WeakPolarHBondContact O-CB 3.24Å; T154-L158 VanDerWaalsContact O-CG 3.27Å; T154-L158 WeakPolarHBondContact O-CG 3.5Å; T154-L158 PolarHBondContact O-N 3Å
155	R	71.9	Confident	59.8	Low	26 Å²	26	83.6 Å²	83.6	10%	0.098	44%	0.439	C	S	.	.	H	α-helix	trans	-60.6	-43.9	175.9	-76.3	178.3	-71.4	146.4	-9.2	112.4	A151 L158 R159 E280 Y281	A151-R155 WeakPolarHBondContact O-CB 3.4Å; A151-R155 VanDerWaalsContact O-CG 3.27Å; A151-R155 WeakPolarHBondContact O-CG 3.43Å; A151-R155 PolarHBondContact O-N 3.38Å; A151-R155 VanDerWaalsContact O-N 3.13Å; A151-R155 PolarHBondContact O-NE 3.33Å; R155-L158 PolarHBondContact O-N 3.03Å; R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 PolarHBondContact O-N 2.87Å; R155-E280 HydrophobicContact CB-CG 4.1Å; R155-E280 HydrophobicContact CG-CB 4.31Å; R155-E280 HydrophobicContact CG-CG 4.25Å; R155-Y281 HydrophobicContact CG-CE2 4.41Å
156	K	69.9	Low	61.4	Low	136 Å²	136	83.4 Å²	83.4	59%	0.591	43%	0.433	S	S	*	.	H	α-helix	trans	-63	-44.4	177.5	-170.2	176.8	179.1	180	0	112.1	E152 V153 T154 L158 R159 D160	E152-K156 WeakPolarHBondContact O-CB 3.38Å; E152-K156 PolarHBondContact O-N 2.68Å; V153-K156 PolarHBondContact O-N 2.97Å; T154-K156 PolarHBondContact O-N 3Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 3.23Å; K156-R159 WeakPolarHBondContact O-CB 3.49Å; K156-R159 PolarHBondContact O-N 3.39Å; K156-D160 VanDerWaalsContact O-CG 3.31Å; K156-D160 PolarHBondContact O-N 3.09Å
157	M	67.9	Low	62.7	Low	101 Å²	101	79.2 Å²	79.2	50%	0.498	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.4	-72.8	-179	67.3	0	0	112.5	V153 T154 K161	V153-M157 HydrophobicContact CG1-SD 4.24Å; V153-M157 WeakPolarHBondContact O-CG 3.46Å; V153-M157 PolarHBondContact O-N 3.37Å; T154-M157 PolarHBondContact O-N 2.97Å; M157-K161 WeakPolarHBondContact O-CG 3.22Å; M157-K161 PolarHBondContact O-N 2.97Å
158	L	67.5	Low	63.9	Low	17 Å²	17	82 Å²	82	9%	0.089	43%	0.426	C	S	.	.	H	α-helix	trans	-63.8	-46.6	175	-71.5	172	0	0	0	110.3	T154 R155 K156 D160 K161 H162 E280 Y281 M347	T154-L158 HydrophobicContact CG2-CD1 4.18Å; T154-L158 WeakPolarHBondContact O-CB 3.24Å; T154-L158 VanDerWaalsContact O-CG 3.27Å; T154-L158 WeakPolarHBondContact O-CG 3.5Å; T154-L158 PolarHBondContact O-N 3Å; R155-L158 PolarHBondContact O-N 3.03Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 3.23Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-D160 PolarHBondContact O-N 3.47Å; L158-K161 WeakPolarHBondContact O-CB 3.4Å; L158-K161 PolarHBondContact O-N 3.32Å; L158-K161 VanDerWaalsContact O-N 3.16Å; L158-H162 PolarHBondContact O-N 3.34Å; L158-H162 PolarHBondContact O-ND1 3.41Å; L158-E280 HydrophobicContact CB-CB 4.07Å; L158-E280 HydrophobicContact CD1-CB 4.2Å; L158-Y281 HydrophobicContact CD1-CD1 4.39Å; L158-Y281 HydrophobicContact CD1-CE1 4.34Å; L158-M347 HydrophobicContact CD1-SD 4.2Å; L158-M347 HydrophobicContact CD2-CE 3.7Å; L158-M347 HydrophobicContact CD2-SD 3.86Å
159	R	70.4	Confident	64.7	Low	69 Å²	69	85.7 Å²	85.7	26%	0.26	44%	0.437	S	S	.	.	H	α-helix	trans	-56.9	-46.7	176.9	-171.6	-179.4	-58	170.8	4.4	112.6	R155 K156 K161 H162 N163 V173 E280	R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 PolarHBondContact O-N 2.87Å; K156-R159 WeakPolarHBondContact O-CB 3.49Å; K156-R159 PolarHBondContact O-N 3.39Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.5Å; R159-H162 PolarHBondContact O-N 3.26Å; R159-N163 WeakPolarHBondContact O-CB 3.32Å; R159-N163 PolarHBondContact O-N 3.47Å; R159-V173 VanDerWaalsContact CZ-CG2 3.44Å; R159-E280 IonicContact CZ-OE1 3.42Å; R159-E280 IonicContact NE-OE1 2.84Å; R159-E280 IonicContact NH2-OE1 3.66Å; R159-E280 PolarHBondContact NH2-OE1 3.45Å
160	D	65.4	Low	65.3	Low	92 Å²	92	84.8 Å²	84.8	49%	0.492	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-35.9	179.4	-68.3	-17.9	0	0	0	111.5	K156 L158 K164	K156-D160 VanDerWaalsContact O-CG 3.31Å; K156-D160 PolarHBondContact O-N 3.09Å; L158-D160 VanDerWaalsContact C-N 3.35Å; L158-D160 PolarHBondContact O-N 3.47Å; D160-K164 VanDerWaalsContact O-CB 3.25Å; D160-K164 WeakPolarHBondContact O-CB 3.49Å; D160-K164 PolarHBondContact O-N 3.03Å; D160-K164 VanDerWaalsContact O-N 3.09Å
161	K	69.6	Low	65.9	Low	134 Å²	134	81.7 Å²	81.7	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-64.6	-44.5	173.2	-77.8	178.2	179.1	-179.1	0	112.4	M157 L158 R159 K165	M157-K161 WeakPolarHBondContact O-CG 3.22Å; M157-K161 PolarHBondContact O-N 2.97Å; L158-K161 WeakPolarHBondContact O-CB 3.4Å; L158-K161 PolarHBondContact O-N 3.32Å; L158-K161 VanDerWaalsContact O-N 3.16Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.5Å; K161-K165 PolarHBondContact O-N 3.41Å
162	H	70.7	Confident	66.7	Low	18 Å²	18	82.9 Å²	82.9	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-69.1	-46.6	-179.8	-63.7	112.3	0	0	0	111.9	L158 R159 K164 K165 N166 N171 Y400	L158-H162 PolarHBondContact O-N 3.34Å; L158-H162 PolarHBondContact O-ND1 3.41Å; R159-H162 PolarHBondContact O-N 3.26Å; H162-K164 VanDerWaalsContact C-N 3.27Å; H162-K164 PolarHBondContact O-N 3.15Å; H162-K165 PolarHBondContact O-N 3.39Å; H162-N166 PolarHBondContact O-N 3.2Å; H162-N171 WeakPolarHBondContact CB-ND2 3.43Å; H162-Y400 VanDerWaalsContact CD2-C 3.48Å; H162-Y400 PolarHBondContact CD2-O 2.96Å; H162-Y400 PolarHBondContact NE2-O 3.46Å
163	N	67.5	Low	67.5	Low	51 Å²	51	80.3 Å²	80.3	27%	0.273	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-28.1	-179.2	-70.6	-13.2	0	0	0	112.6	R159 K165 N166 N171	R159-N163 WeakPolarHBondContact O-CB 3.32Å; R159-N163 PolarHBondContact O-N 3.47Å; N163-K165 VanDerWaalsContact C-N 3.28Å; N163-N166 CarbonylContact O-C 3.53Å; N163-N171 PolarHBondContact OD1-N 2.78Å
164	K	65	Low	68.4	Low	183 Å²	183	80.1 Å²	80.1	80%	0.796	41%	0.407	S	S	*	.	H	α-helix	trans	-67.4	-29.9	172.5	-172.4	175.7	-179.3	-177.2	0	112.4	D160 H162	D160-K164 VanDerWaalsContact O-CB 3.25Å; D160-K164 WeakPolarHBondContact O-CB 3.49Å; D160-K164 PolarHBondContact O-N 3.03Å; D160-K164 VanDerWaalsContact O-N 3.09Å; H162-K164 VanDerWaalsContact C-N 3.27Å; H162-K164 PolarHBondContact O-N 3.15Å
165	K	63.4	Low	69.4	Low	96 Å²	96	81.7 Å²	81.7	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-86.1	-35.9	179.5	-71.4	-165.7	169.4	-153.8	0	112.5	K161 H162 N163 P167 E406	K161-K165 PolarHBondContact O-N 3.41Å; H162-K165 PolarHBondContact O-N 3.39Å; N163-K165 VanDerWaalsContact C-N 3.28Å; K165-P167 WeakPolarHBondContact O-CD 3.34Å; K165-E406 IonicContact NZ-OE2 2.67Å; K165-E406 PolarHBondContact NZ-OE2 2.98Å
166	N	60.8	Low	69.7	Low	50 Å²	50	85.2 Å²	85.2	27%	0.267	44%	0.438	S	S	.	.			trans	-119.3	81.4	179.7	-70.1	-27.6	0	0	0	111.3	H162 N163 T168 D398 P399	H162-N166 PolarHBondContact O-N 3.2Å; N163-N166 CarbonylContact O-C 3.53Å; N166-T168 VanDerWaalsContact C-N 3.26Å; N166-T168 PolarHBondContact O-N 3.44Å; N166-D398 PolarHBondContact ND2-O 3.14Å; N166-P399 PolarHBondContact ND2-O 3.04Å
167	P	59.2	Low	70.4	Confident	92 Å²	92	86.1 Å²	86.1	60%	0.597	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18	-176.7	28.2	-34	0	0	0	113.7	K165	K165-P167 WeakPolarHBondContact O-CD 3.34Å
168	T	56.3	Low	71.1	Confident	130 Å²	130	83.2 Å²	83.2	80%	0.798	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.9	-172.2	51.1	0	0	0	0	113.9	N166	N166-T168 VanDerWaalsContact C-N 3.26Å; N166-T168 PolarHBondContact O-N 3.44Å
169	Q	61.9	Low	71.6	Confident	149 Å²	149	85 Å²	85	70%	0.696	43%	0.432	S	S	*	.	S	Bend	trans	-148.5	109.2	177	-163.9	169.1	12.1	0	0	110.2	N171	Q169-N171 PolarHBondContact O-N 3.43Å
170	P	66.8	Low	71.9	Confident	96 Å²	96	87 Å²	87	62%	0.623	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-65.9	137.4	177.6	26.8	-32.6	0	0	0	110.2
171	N	72.6	Confident	72.6	Confident	22 Å²	22	90.1 Å²	90.1	12%	0.118	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-62.6	146.6	179.7	-77.3	-10.9	0	0	0	111.4	H162 N163 Q169 P399 Y400	H162-N171 WeakPolarHBondContact CB-ND2 3.43Å; N163-N171 PolarHBondContact OD1-N 2.78Å; Q169-N171 PolarHBondContact O-N 3.43Å; N171-P399 PolarHBondContact ND2-O 3.45Å; N171-P399 PolarHBondContact OD1-O 3.22Å; N171-Y400 HydrophobicContact CB-CE1 4.21Å; N171-Y400 WeakPolarHBondContact ND2-CD1 3.41Å
172	P	81.7	Confident	72.9	Confident	66 Å²	66	87.2 Å²	87.2	43%	0.429	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-62.6	147	178	27.6	-34.4	0	0	0	110.9	F279	P172-F279 HydrophobicContact CB-CD1 4.48Å; P172-F279 HydrophobicContact CB-CD2 4.11Å; P172-F279 HydrophobicContact CB-CE1 4.41Å; P172-F279 HydrophobicContact CB-CE2 4.03Å; P172-F279 HydrophobicContact CB-CG 4.34Å; P172-F279 HydrophobicContact CB-CZ 4.19Å; P172-F279 HydrophobicContact CG-CD1 3.77Å; P172-F279 HydrophobicContact CG-CD2 4.19Å; P172-F279 HydrophobicContact CG-CE1 3.95Å; P172-F279 HydrophobicContact CG-CE2 4.35Å; P172-F279 HydrophobicContact CG-CG 3.9Å; P172-F279 HydrophobicContact CG-CZ 4.24Å; P172-F279 WeakPolarHBondContact O-CB 3.47Å; P172-F279 VanDerWaalsContact O-CD2 3.32Å; P172-F279 WeakPolarHBondContact O-CD2 3.32Å; P172-F279 WeakPolarHBondContact O-CG 3.39Å
173	V	80.5	Confident	73.2	Confident	62 Å²	62	89.9 Å²	89.9	38%	0.376	47%	0.473	S	S	.	.			trans	-129.3	136.7	-176.9	173.3	0	0	0	0	109.1	R159	R159-V173 VanDerWaalsContact CZ-CG2 3.44Å
174	F	82.1	Confident	73.6	Confident	62 Å²	62	91.7 Å²	91.7	27%	0.272	48%	0.482	S	S	.	.			trans	-74.8	144.7	170.2	-74.1	-71.4	0	0	0	111.3	V178 Y179 F279	F174-V178 HydrophobicContact CB-CB 4.38Å; F174-V178 HydrophobicContact CB-CG2 4.26Å; F174-V178 HydrophobicContact CD1-CG2 4.44Å; F174-Y179 HydrophobicContact CB-CE2 3.93Å; F174-Y179 WeakPolarHBondContact CB-OH 3.04Å; F174-F279 HydrophobicContact CD1-CE2 4.01Å; F174-F279 AromaticContact CD2-CD2 3.49Å; F174-F279 HydrophobicContact CD2-CD2 3.49Å; F174-F279 VanDerWaalsContact CD2-CD2 3.49Å; F174-F279 AromaticContact CD2-CE2 3.64Å; F174-F279 HydrophobicContact CD2-CE2 3.64Å; F174-F279 HydrophobicContact CD2-CG 4.39Å; F174-F279 AromaticContact CE1-CE2 3.74Å; F174-F279 HydrophobicContact CE1-CE2 3.74Å; F174-F279 HydrophobicContact CE1-CZ 4.14Å; F174-F279 AromaticContact CE2-CD2 3.41Å; F174-F279 HydrophobicContact CE2-CD2 3.41Å; F174-F279 VanDerWaalsContact CE2-CD2 3.41Å; F174-F279 HydrophobicContact CE2-CE1 4.5Å; F174-F279 AromaticContact CE2-CE2 3.35Å; F174-F279 HydrophobicContact CE2-CE2 3.35Å; F174-F279 HydrophobicContact CE2-CG 4.04Å; F174-F279 AromaticContact CE2-CZ 3.94Å; F174-F279 HydrophobicContact CE2-CZ 3.94Å; F174-F279 HydrophobicContact CG-CD2 4.14Å; F174-F279 AromaticContact CG-CE2 3.96Å; F174-F279 HydrophobicContact CG-CE2 3.96Å; F174-F279 AromaticContact CZ-CD2 3.99Å; F174-F279 HydrophobicContact CZ-CD2 3.99Å; F174-F279 HydrophobicContact CZ-CE1 4.43Å; F174-F279 AromaticContact CZ-CE2 3.4Å; F174-F279 HydrophobicContact CZ-CE2 3.4Å; F174-F279 VanDerWaalsContact CZ-CE2 3.4Å; F174-F279 AromaticContact CZ-CZ 3.66Å; F174-F279 HydrophobicContact CZ-CZ 3.66Å
175	P	85.4	Confident	73.9	Confident	63 Å²	63	85.9 Å²	85.9	41%	0.409	46%	0.459	S	S	.	.			trans	-57.1	145.7	170.6	-24.5	34.7	0	0	0	112.5	W177 V178	P175-W177 HydrophobicContact CB-CD2 4.35Å; P175-W177 HydrophobicContact CB-CG 4.12Å; P175-W177 HydrophobicContact CB-CZ2 4.41Å; P175-W177 HydrophobicContact CG-CZ2 4.24Å; P175-W177 PolarHBondContact O-N 2.91Å; P175-W177 VanDerWaalsContact O-N 3.12Å; P175-V178 WeakPolarHBondContact O-CB 3.48Å; P175-V178 WeakPolarHBondContact O-CG2 3.38Å; P175-V178 PolarHBondContact O-N 3.36Å
176	N	79.3	Confident	74.2	Confident	101 Å²	101	83 Å²	83	54%	0.54	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.7	-177.6	-67.1	-1.3	0	0	0	113.5	V178 Y179 D180	N176-V178 PolarHBondContact O-N 2.82Å; N176-Y179 PolarHBondContact O-N 3.14Å; N176-D180 PolarHBondContact O-N 2.82Å
177	W	83.9	Confident	74.9	Confident	154 Å²	154	81.2 Å²	81.2	58%	0.583	45%	0.447	S	S	*	.	H	α-helix	trans	-60.2	-21.1	179.4	64.5	-105.6	0	0	0	114	P175 Y179 R181 L184	P175-W177 HydrophobicContact CB-CD2 4.35Å; P175-W177 HydrophobicContact CB-CG 4.12Å; P175-W177 HydrophobicContact CB-CZ2 4.41Å; P175-W177 HydrophobicContact CG-CZ2 4.24Å; P175-W177 PolarHBondContact O-N 2.91Å; P175-W177 VanDerWaalsContact O-N 3.12Å; W177-Y179 VanDerWaalsContact C-N 3.25Å; W177-Y179 PolarHBondContact O-N 3.34Å; W177-R181 WeakPolarHBondContact O-CB 3.38Å; W177-R181 WeakPolarHBondContact O-CG 3.48Å; W177-L184 HydrophobicContact CE3-CD1 4.37Å; W177-L184 HydrophobicContact CZ3-CD1 4.13Å
178	V	83	Confident	75.7	Confident	41 Å²	41	77.2 Å²	77.2	25%	0.248	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-35	175.7	176.8	0	0	0	0	110.5	F174 P175 N176	F174-V178 HydrophobicContact CB-CB 4.38Å; F174-V178 HydrophobicContact CB-CG2 4.26Å; F174-V178 HydrophobicContact CD1-CG2 4.44Å; P175-V178 WeakPolarHBondContact O-CB 3.48Å; P175-V178 WeakPolarHBondContact O-CG2 3.38Å; P175-V178 PolarHBondContact O-N 3.36Å; N176-V178 PolarHBondContact O-N 2.82Å
179	Y	78.3	Confident	76.2	Confident	55 Å²	55	75 Å²	75	22%	0.216	40%	0.403	C	S	.	.	H	α-helix	trans	-89.5	-32.6	-177.3	-51	-68.2	0	0	0	112.6	F174 N176 W177 R181 S278	F174-Y179 HydrophobicContact CB-CE2 3.93Å; F174-Y179 WeakPolarHBondContact CB-OH 3.04Å; N176-Y179 PolarHBondContact O-N 3.14Å; W177-Y179 VanDerWaalsContact C-N 3.25Å; W177-Y179 PolarHBondContact O-N 3.34Å; Y179-R181 VanDerWaalsContact C-N 3.27Å; Y179-R181 PolarHBondContact O-N 2.67Å; Y179-S278 WeakPolarHBondContact CE1-OG 3.3Å
180	D	76.2	Confident	76.1	Confident	110 Å²	110	72.4 Å²	72.4	59%	0.588	40%	0.397	S	S	*	.	H	α-helix	trans	-78.4	-10	-174.6	-60.9	-29	0	0	0	113.4	N176 P182	N176-D180 PolarHBondContact O-N 2.82Å; D180-P182 VanDerWaalsContact O-CD 3.26Å; D180-P182 WeakPolarHBondContact O-CD 3.27Å
181	R	79.9	Confident	75.4	Confident	157 Å²	157	72 Å²	72	59%	0.592	40%	0.397	S	S	*	.			trans	-97.4	104.8	-173.4	-72.9	-75.9	-173.1	176.8	1.3	111.1	W177 Y179 A183 L184	W177-R181 WeakPolarHBondContact O-CB 3.38Å; W177-R181 WeakPolarHBondContact O-CG 3.48Å; Y179-R181 VanDerWaalsContact C-N 3.27Å; Y179-R181 PolarHBondContact O-N 2.67Å; R181-A183 PolarHBondContact O-N 2.88Å; R181-L184 HydrophobicContact CB-CD1 3.82Å; R181-L184 HydrophobicContact CB-CG 3.95Å; R181-L184 HydrophobicContact CG-CD1 4.45Å; R181-L184 PolarHBondContact O-N 3.45Å
182	P	75.8	Confident	73.9	Confident	73 Å²	73	76.8 Å²	76.8	47%	0.474	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.2	-179.6	-20.8	34.8	0	0	0	113	D180 L184 I185	D180-P182 VanDerWaalsContact O-CD 3.26Å; D180-P182 WeakPolarHBondContact O-CD 3.27Å; P182-L184 PolarHBondContact O-N 3.13Å; P182-I185 PolarHBondContact O-N 3.28Å
183	A	77.3	Confident	71.9	Confident	75 Å²	75	77.9 Å²	77.9	62%	0.62	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.4	-179.6	0	0	0	0	0	114.5	R181 I189	R181-A183 PolarHBondContact O-N 2.88Å; A183-I189 HydrophobicContact CB-CD1 4.27Å
184	L	76.8	Confident	70	Confident	88 Å²	88	80.5 Å²	80.5	46%	0.461	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-82	-16.2	178.5	-65.7	177.1	0	0	0	112.8	W177 R181 P182 G186	W177-L184 HydrophobicContact CE3-CD1 4.37Å; W177-L184 HydrophobicContact CZ3-CD1 4.13Å; R181-L184 HydrophobicContact CB-CD1 3.82Å; R181-L184 HydrophobicContact CB-CG 3.95Å; R181-L184 HydrophobicContact CG-CD1 4.45Å; R181-L184 PolarHBondContact O-N 3.45Å; P182-L184 PolarHBondContact O-N 3.13Å; L184-G186 PolarHBondContact O-N 2.7Å
185	I	71.5	Confident	68	Low	61 Å²	61	82.4 Å²	82.4	31%	0.313	49%	0.489	S	S	.	.	S	Bend	trans	-74.4	-15.6	-173.6	-51.3	171.8	0	0	0	111.2	P182 D187 T270 R271	P182-I185 PolarHBondContact O-N 3.28Å; I185-D187 HydrophobicContact CB-CB 4.33Å; I185-D187 HydrophobicContact CG2-CB 3.75Å; I185-D187 PolarHBondContact O-N 3.49Å; I185-D187 VanDerWaalsContact O-N 3.1Å; I185-T270 WeakPolarHBondContact O-CG2 3.45Å; I185-R271 HydrophobicContact CG2-CG 4.11Å
186	G	69.6	Low	65.9	Low	35 Å²	35	86.4 Å²	86.4	36%	0.361	51%	0.507	S	S	.	.			trans	60.4	20.2	-178.3	0	0	0	0	0	113.7	L184 Y266	L184-G186 PolarHBondContact O-N 2.7Å; G186-Y266 WeakPolarHBondContact O-CE1 2.97Å; G186-Y266 PolarHBondContact O-OH 3.03Å
187	D	75.6	Confident	64.3	Low	13 Å²	13	91.2 Å²	91.2	7%	0.07	53%	0.526	C	S	.	.	S	Bend	trans	-121.1	161.1	-174.3	-176.1	31.4	0	0	0	109.5	I185 I189 G223 R240 S267 R271	I185-D187 HydrophobicContact CB-CB 4.33Å; I185-D187 HydrophobicContact CG2-CB 3.75Å; I185-D187 PolarHBondContact O-N 3.49Å; I185-D187 VanDerWaalsContact O-N 3.1Å; D187-I189 PolarHBondContact O-N 3.21Å; D187-I189 VanDerWaalsContact O-N 3.13Å; D187-G223 CarbonylContact C-O 3.53Å; D187-R240 IonicContact OD1-CZ 3.7Å; D187-R240 IonicContact OD1-NE 2.8Å; D187-R240 PolarHBondContact OD1-NE 2.93Å; D187-R240 IonicContact OD1-NH2 2.98Å; D187-R240 PolarHBondContact OD1-NH2 3.39Å; D187-R240 VanDerWaalsContact OD1-NH2 3.11Å; D187-R240 IonicContact OD2-CZ 3.55Å; D187-R240 IonicContact OD2-NE 2.7Å; D187-R240 IonicContact OD2-NH2 3.13Å; D187-R240 PolarHBondContact OD2-NH2 2.77Å; D187-S267 VanDerWaalsContact CG-OG 3.23Å; D187-S267 WeakPolarHBondContact OD1-CB 3.43Å; D187-S267 PolarHBondContact OD1-OG 3.14Å; D187-S267 PolarHBondContact OD2-OG 3.25Å; D187-R271 IonicContact OD2-CZ 2.7Å; D187-R271 IonicContact OD2-NE 3.13Å; D187-R271 PolarHBondContact OD2-NE 3.4Å; D187-R271 IonicContact OD2-NH2 2.73Å; D187-R271 PolarHBondContact OD2-NH2 2.9Å
188	F	74.4	Confident	62.6	Low	9 Å²	9	87.3 Å²	87.3	4%	0.039	53%	0.526	C	S	.	.			trans	-56.2	120.1	-173.3	-52.6	-95.6	0	0	0	111.4	V220 G223 V224 D225 A231 R240 F242	F188-V220 HydrophobicContact CE1-CB 4.38Å; F188-V220 HydrophobicContact CE1-CG1 4.03Å; F188-V220 HydrophobicContact CZ-CG1 3.87Å; F188-V220 VanDerWaalsContact CZ-O 3.25Å; F188-V220 WeakPolarHBondContact CZ-O 3.38Å; F188-G223 WeakPolarHBondContact CA-O 3.33Å; F188-G223 PolarHBondContact N-O 3.18Å; F188-V224 WeakPolarHBondContact CE1-O 3.27Å; F188-D225 VanDerWaalsContact CD1-OD1 3.28Å; F188-D225 WeakPolarHBondContact CD1-OD1 3.46Å; F188-A231 HydrophobicContact CB-CB 3.77Å; F188-A231 HydrophobicContact CD1-CB 3.74Å; F188-A231 HydrophobicContact CD2-CB 3.99Å; F188-A231 HydrophobicContact CE1-CB 4.3Å; F188-A231 HydrophobicContact CG-CB 3.56Å; F188-R240 PolarHBondContact O-NH2 3.42Å; F188-F242 HydrophobicContact CD2-CE1 4.39Å; F188-F242 AromaticContact CE1-CE1 3.96Å; F188-F242 HydrophobicContact CE1-CE1 3.96Å; F188-F242 AromaticContact CE2-CE1 3.67Å; F188-F242 HydrophobicContact CE2-CE1 3.67Å; F188-F242 AromaticContact CE2-CZ 3.74Å; F188-F242 HydrophobicContact CE2-CZ 3.74Å; F188-F242 AromaticContact CZ-CE1 3.42Å; F188-F242 HydrophobicContact CZ-CE1 3.42Å; F188-F242 VanDerWaalsContact CZ-CE1 3.42Å; F188-F242 AromaticContact CZ-CZ 3.76Å; F188-F242 HydrophobicContact CZ-CZ 3.76Å
189	I	68.1	Low	61.4	Low	84 Å²	84	90.3 Å²	90.3	43%	0.431	54%	0.544	S	S	.	.			trans	-89.3	112.8	177.1	-55.9	173.3	0	0	0	107.1	A183 D187 S191	A183-I189 HydrophobicContact CB-CD1 4.27Å; D187-I189 PolarHBondContact O-N 3.21Å; D187-I189 VanDerWaalsContact O-N 3.13Å; I189-S191 PolarHBondContact O-N 2.94Å
190	T	59.3	Low	60.5	Low	93 Å²	93	91.5 Å²	91.5	57%	0.571	56%	0.558	S	S	*	*			trans	-68.1	85.4	172	47.1	0	0	0	0	109.9	P233	T190-P233 HydrophobicContact CG2-CB 4.38Å
191	S	51.2	Low	60	Low	89 Å²	89	86.5 Å²	86.5	62%	0.622	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-77	140.3	160.5	-90.4	0	0	0	0	108.5	I189 A193	I189-S191 PolarHBondContact O-N 2.94Å; S191-A193 PolarHBondContact O-N 3.09Å; S191-A193 VanDerWaalsContact O-N 3.13Å
192	P	42.9	Very low	59.3	Low	122 Å²	122	80.9 Å²	80.9	79%	0.792	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-57.9	121.1	161.5	24.4	-28.8	0	0	0	107.3
193	A	39.9	Very low	59	Low	89 Å²	89	82 Å²	82	74%	0.736	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-50.8	138.2	-175.1	0	0	0	0	0	111.5	S191 A195	S191-A193 PolarHBondContact O-N 3.09Å; S191-A193 VanDerWaalsContact O-N 3.13Å; A193-A195 PolarHBondContact O-N 3.18Å
194	P	40.1	Very low	59	Low	116 Å²	116	81 Å²	81	75%	0.753	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-60.2	126.5	162.1	-13.3	27	0	0	0	108.4	D196	P194-D196 PolarHBondContact O-N 3.38Å
195	A	40.3	Very low	59.3	Low	102 Å²	102	80.8 Å²	80.8	84%	0.843	52%	0.515	S	S	*	.			trans	-76.6	57	177.8	0	0	0	0	0	111.9	A193	A193-A195 PolarHBondContact O-N 3.18Å
196	D	40.4	Very low	59.8	Low	147 Å²	147	82.6 Å²	82.6	79%	0.786	53%	0.525	S	S	*	.			trans	-104.5	115	166.4	-86.2	-21.5	0	0	0	108.9	P194 A198	P194-D196 PolarHBondContact O-N 3.38Å; D196-A198 PolarHBondContact O-N 3.19Å
197	Q	45	Very low	60.4	Low	203 Å²	203	85.1 Å²	85.1	95%	0.949	54%	0.535	S	S	*	.			trans	-60.8	99.6	180	-69.4	173.4	-19.8	0	0	110.2
198	A	49.5	Very low	60.8	Low	71 Å²	71	86.3 Å²	86.3	59%	0.587	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-67.4	143.2	166.9	0	0	0	0	0	110.1	D196 T200	D196-A198 PolarHBondContact O-N 3.19Å; A198-T200 PolarHBondContact O-N 3.23Å
199	V	56.8	Low	61.2	Low	104 Å²	104	86.4 Å²	86.4	63%	0.63	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55.7	127.6	171.2	177.9	0	0	0	0	108.4	I201	V199-I201 PolarHBondContact O-N 2.76Å
200	T	60.6	Low	62	Low	81 Å²	81	85 Å²	85	50%	0.497	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-64.1	120.7	178.8	47.8	0	0	0	0	110	A198 G202 T203	A198-T200 PolarHBondContact O-N 3.23Å; T200-G202 PolarHBondContact O-N 3.39Å; T200-G202 VanDerWaalsContact O-N 3.07Å; T200-T203 PolarHBondContact O-N 3.28Å; T200-T203 PolarHBondContact O-OG1 3.08Å
201	I	66.1	Low	63.2	Low	4 Å²	4	85.9 Å²	85.9	2%	0.021	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.6	-176.9	-72.3	163.6	0	0	0	112.3	V199 T203 L204 Q209 D228 L248	V199-I201 PolarHBondContact O-N 2.76Å; I201-T203 PolarHBondContact O-N 3.1Å; I201-L204 WeakPolarHBondContact O-CB 3.21Å; I201-L204 PolarHBondContact O-N 3.25Å; I201-Q209 HydrophobicContact CG2-CB 3.99Å; I201-Q209 HydrophobicContact CG2-CG 3.67Å; I201-Q209 PolarHBondContact O-NE2 2.94Å; I201-D228 HydrophobicContact CD1-CB 3.45Å; I201-D228 VanDerWaalsContact CD1-CB 3.45Å; I201-D228 VanDerWaalsContact CD1-OD1 3.25Å; I201-D228 WeakPolarHBondContact CD1-OD1 3.25Å; I201-D228 WeakPolarHBondContact CD1-OD2 3.48Å; I201-L248 HydrophobicContact CD1-CD2 4.42Å; I201-L248 HydrophobicContact CG2-CD2 3.79Å; I201-L248 HydrophobicContact CG2-CG 4.32Å
202	G	63.3	Low	64.8	Low	39 Å²	39	86 Å²	86	40%	0.402	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-56.7	-15	178.8	0	0	0	0	0	115.3	T200 T247	T200-G202 PolarHBondContact O-N 3.39Å; T200-G202 VanDerWaalsContact O-N 3.07Å; G202-T247 WeakPolarHBondContact CA-O 3.37Å; G202-T247 PolarHBondContact N-OG1 2.84Å
203	T	69.8	Low	66.9	Low	98 Å²	98	80.2 Å²	80.2	60%	0.601	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-87.6	-10	176	61.5	0	0	0	0	114.2	T200 I201	T200-T203 PolarHBondContact O-N 3.28Å; T200-T203 PolarHBondContact O-OG1 3.08Å; I201-T203 PolarHBondContact O-N 3.1Å
204	L	77.8	Confident	69.3	Low	54 Å²	54	76 Å²	76	28%	0.283	45%	0.452	S	S	.	.	S	Bend	trans	-92.4	152.4	-176.1	-63.4	170.6	0	0	0	112.6	I201 Q209 F212	I201-L204 WeakPolarHBondContact O-CB 3.21Å; I201-L204 PolarHBondContact O-N 3.25Å; L204-Q209 HydrophobicContact CB-CG 4.05Å; L204-Q209 WeakPolarHBondContact O-CG 3.47Å; L204-Q209 PolarHBondContact O-NE2 3.27Å; L204-F212 HydrophobicContact CD1-CD2 3.78Å; L204-F212 HydrophobicContact CD1-CE2 3.76Å
205	P	82.8	Confident	71.5	Confident	83 Å²	83	74.6 Å²	74.6	54%	0.539	44%	0.435	S	S	.	.			trans	-60.3	146	171.6	-22	33.5	0	0	0	112.4	P207 S208 Q209	P205-P207 VanDerWaalsContact C-N 3.32Å; P205-P207 VanDerWaalsContact O-N 3.12Å; P205-S208 WeakPolarHBondContact O-CA 3.37Å; P205-S208 WeakPolarHBondContact O-CB 3.47Å; P205-S208 PolarHBondContact O-N 3.08Å; P205-Q209 PolarHBondContact O-N 2.87Å
206	L	82.1	Confident	73.9	Confident	99 Å²	99	70.1 Å²	70.1	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-45.8	-43.1	-179.3	-69.7	167.9	0	0	0	114.9	S208 Q209 E210 D249 I252	L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 2.66Å; L206-Q209 WeakPolarHBondContact O-CB 3.29Å; L206-Q209 PolarHBondContact O-N 2.9Å; L206-E210 PolarHBondContact O-N 3.46Å; L206-D249 HydrophobicContact CD2-CB 3.74Å; L206-I252 HydrophobicContact CD2-CD1 4.44Å
207	P	82.4	Confident	76.2	Confident	87 Å²	87	63.1 Å²	63.1	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-33.9	178.3	-21	33.9	0	0	0	113.5	P205 Q211	P205-P207 VanDerWaalsContact C-N 3.32Å; P205-P207 VanDerWaalsContact O-N 3.12Å; P207-Q211 WeakPolarHBondContact O-CG 3.27Å; P207-Q211 PolarHBondContact O-N 3.3Å
208	S	83.2	Confident	78.3	Confident	38 Å²	38	53.8 Å²	53.8	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-73.3	-38.6	175.5	-59.2	0	0	0	0	110.7	P205 L206 E210 Q211 F212	P205-S208 WeakPolarHBondContact O-CA 3.37Å; P205-S208 WeakPolarHBondContact O-CB 3.47Å; P205-S208 PolarHBondContact O-N 3.08Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 2.66Å; S208-E210 VanDerWaalsContact C-N 3.32Å; S208-E210 PolarHBondContact O-N 3.46Å; S208-Q211 PolarHBondContact O-N 3.01Å; S208-F212 WeakPolarHBondContact O-CD2 3.27Å; S208-F212 PolarHBondContact O-N 3.01Å; S208-F212 VanDerWaalsContact O-N 3.08Å
209	Q	82.9	Confident	80.2	Confident	11 Å²	11	55.1 Å²	55.1	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-45	173.2	-60.7	-173.2	-15.1	0	0	111.2	I201 L204 P205 L206 Q211 V213 I252	I201-Q209 HydrophobicContact CG2-CB 3.99Å; I201-Q209 HydrophobicContact CG2-CG 3.67Å; I201-Q209 PolarHBondContact O-NE2 2.94Å; L204-Q209 HydrophobicContact CB-CG 4.05Å; L204-Q209 WeakPolarHBondContact O-CG 3.47Å; L204-Q209 PolarHBondContact O-NE2 3.27Å; P205-Q209 PolarHBondContact O-N 2.87Å; L206-Q209 WeakPolarHBondContact O-CB 3.29Å; L206-Q209 PolarHBondContact O-N 2.9Å; Q209-Q211 PolarHBondContact O-N 2.87Å; Q209-V213 WeakPolarHBondContact O-CB 3.41Å; Q209-V213 WeakPolarHBondContact O-CG2 3.37Å; Q209-V213 PolarHBondContact O-N 2.58Å; Q209-I252 HydrophobicContact CB-CD1 4.27Å
210	E	85.6	Confident	81.8	Confident	54 Å²	54	50.2 Å²	50.2	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-44.2	177.4	-171.3	-178.4	175.5	0	0	112.1	L206 S208 V213 V214 S316 L317	L206-E210 PolarHBondContact O-N 3.46Å; S208-E210 VanDerWaalsContact C-N 3.32Å; S208-E210 PolarHBondContact O-N 3.46Å; E210-V213 PolarHBondContact O-N 3.45Å; E210-V214 HydrophobicContact CG-CG2 4.4Å; E210-V214 WeakPolarHBondContact O-CB 3.34Å; E210-V214 WeakPolarHBondContact O-CG2 3.25Å; E210-V214 PolarHBondContact O-N 3.11Å; E210-S316 WeakPolarHBondContact OE1-CA 3.37Å; E210-S316 VanDerWaalsContact OE1-CB 3.3Å; E210-S316 WeakPolarHBondContact OE1-CB 3.23Å; E210-L317 HydrophobicContact CG-CB 4.02Å; E210-L317 PolarHBondContact OE1-N 2.75Å
211	Q	85.4	Confident	83.1	Confident	112 Å²	112	46.4 Å²	46.4	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-45.3	-180	-75.7	179.3	-15.2	0	0	113	P207 S208 Q209 V214 E215 Q310	P207-Q211 WeakPolarHBondContact O-CG 3.27Å; P207-Q211 PolarHBondContact O-N 3.3Å; S208-Q211 PolarHBondContact O-N 3.01Å; Q209-Q211 PolarHBondContact O-N 2.87Å; Q211-V214 PolarHBondContact O-N 3.34Å; Q211-E215 PolarHBondContact O-N 3.37Å; Q211-E215 VanDerWaalsContact O-N 3.1Å; Q211-Q310 PolarHBondContact O-NE2 3.44Å; Q211-Q310 VanDerWaalsContact O-NE2 3.15Å
212	F	84.6	Confident	84.1	Confident	91 Å²	91	48.9 Å²	48.9	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-42.4	177.5	-74.2	-62.6	0	0	0	111.6	L204 S208 V214 E215 D216	L204-F212 HydrophobicContact CD1-CD2 3.78Å; L204-F212 HydrophobicContact CD1-CE2 3.76Å; S208-F212 WeakPolarHBondContact O-CD2 3.27Å; S208-F212 PolarHBondContact O-N 3.01Å; S208-F212 VanDerWaalsContact O-N 3.08Å; F212-V214 PolarHBondContact O-N 3.13Å; F212-E215 PolarHBondContact O-N 3.09Å; F212-D216 WeakPolarHBondContact O-CB 3.49Å; F212-D216 PolarHBondContact O-N 3.06Å
213	V	86.9	Confident	85.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-38.5	177.7	170.5	0	0	0	0	111.9	Q209 E210 D216 L217 L248 I252 V256	Q209-V213 WeakPolarHBondContact O-CB 3.41Å; Q209-V213 WeakPolarHBondContact O-CG2 3.37Å; Q209-V213 PolarHBondContact O-N 2.58Å; E210-V213 PolarHBondContact O-N 3.45Å; V213-D216 PolarHBondContact O-N 3.49Å; V213-L217 WeakPolarHBondContact O-CB 3.14Å; V213-L217 PolarHBondContact O-N 3.46Å; V213-L248 HydrophobicContact CG2-CD2 3.43Å; V213-L248 VanDerWaalsContact CG2-CD2 3.43Å; V213-I252 HydrophobicContact CG1-CG2 4.16Å; V213-I252 HydrophobicContact CG2-CG2 4.35Å; V213-V256 HydrophobicContact CG1-CG2 3.4Å; V213-V256 VanDerWaalsContact CG1-CG2 3.4Å
214	V	88.8	Confident	86	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-41.7	177.1	169.8	0	0	0	0	111.1	E210 Q211 F212 L217 L218 Q310 L315 L317 L320	E210-V214 HydrophobicContact CG-CG2 4.4Å; E210-V214 WeakPolarHBondContact O-CB 3.34Å; E210-V214 WeakPolarHBondContact O-CG2 3.25Å; E210-V214 PolarHBondContact O-N 3.11Å; Q211-V214 PolarHBondContact O-N 3.34Å; F212-V214 PolarHBondContact O-N 3.13Å; V214-L217 PolarHBondContact O-N 3.36Å; V214-L218 HydrophobicContact CG1-CD1 4.29Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 2.88Å; V214-Q310 VanDerWaalsContact CG1-CD 3.45Å; V214-Q310 HydrophobicContact CG1-CG 4.31Å; V214-Q310 VanDerWaalsContact CG1-OE1 3.3Å; V214-L315 HydrophobicContact CG1-CD2 3.63Å; V214-L315 HydrophobicContact CG1-CG 4.17Å; V214-L317 HydrophobicContact CG2-CB 4.11Å; V214-L317 HydrophobicContact CG2-CD1 3.91Å; V214-L320 HydrophobicContact CG1-CD2 4.39Å
215	E	88.2	Confident	86.2	Confident	86 Å²	86	46.2 Å²	46.2	40%	0.402	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-47.5	173.6	-176.7	176.9	-179.1	0	0	110.8	Q211 F212 L217 L218 F219	Q211-E215 PolarHBondContact O-N 3.37Å; Q211-E215 VanDerWaalsContact O-N 3.1Å; F212-E215 PolarHBondContact O-N 3.09Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 2.89Å; E215-L218 PolarHBondContact O-N 3.29Å; E215-F219 HydrophobicContact CG-CD2 4.39Å; E215-F219 HydrophobicContact CG-CE2 3.96Å; E215-F219 VanDerWaalsContact O-CD2 3.23Å; E215-F219 WeakPolarHBondContact O-CD2 3.49Å; E215-F219 PolarHBondContact O-N 3.32Å
216	D	88.9	Confident	86.1	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-40.1	-179.7	-152.5	43	0	0	0	112.6	F212 V213 L218 F219 V220 G226 R227 D228 I229	F212-D216 WeakPolarHBondContact O-CB 3.49Å; F212-D216 PolarHBondContact O-N 3.06Å; V213-D216 PolarHBondContact O-N 3.49Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 2.84Å; D216-F219 WeakPolarHBondContact O-CB 3.35Å; D216-F219 PolarHBondContact O-N 3Å; D216-V220 WeakPolarHBondContact O-CG2 3.19Å; D216-V220 PolarHBondContact O-N 2.92Å; D216-G226 VanDerWaalsContact OD1-C 3.23Å; D216-G226 WeakPolarHBondContact OD1-CA 3.35Å; D216-R227 PolarHBondContact OD1-N 2.92Å; D216-R227 PolarHBondContact OD2-N 3.24Å; D216-D228 WeakPolarHBondContact OD2-CA 3.2Å; D216-D228 WeakPolarHBondContact OD2-CB 3.36Å; D216-D228 PolarHBondContact OD2-N 3.23Å; D216-I229 PolarHBondContact OD2-N 2.9Å
217	L	89.4	Confident	86	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-35.5	177.4	-169.6	61	0	0	0	111.8	V213 V214 E215 F219 V220 L221 I229 I259 L260 L317 L320	V213-L217 WeakPolarHBondContact O-CB 3.14Å; V213-L217 PolarHBondContact O-N 3.46Å; V214-L217 PolarHBondContact O-N 3.36Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 2.89Å; L217-F219 VanDerWaalsContact C-N 3.33Å; L217-F219 PolarHBondContact O-N 2.67Å; L217-V220 PolarHBondContact O-N 2.69Å; L217-L221 WeakPolarHBondContact O-CB 3.48Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.19Å; L217-I229 HydrophobicContact CB-CD1 4.42Å; L217-I229 HydrophobicContact CD1-CD1 4.02Å; L217-I259 HydrophobicContact CD1-CG2 4.07Å; L217-I259 HydrophobicContact CD2-CB 4.03Å; L217-I259 HydrophobicContact CD2-CD1 3.57Å; L217-I259 HydrophobicContact CD2-CG1 4.37Å; L217-I259 HydrophobicContact CD2-CG2 3.73Å; L217-I259 HydrophobicContact CG-CG2 4.1Å; L217-L260 HydrophobicContact CD1-CD2 4.16Å; L217-L317 HydrophobicContact CD2-CD1 4.05Å; L217-L320 HydrophobicContact CD2-CD2 3.7Å; L217-L320 HydrophobicContact CG-CD2 4.36Å
218	L	90.2	Very high	85.8	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-36.9	173.9	-73.2	166.5	0	0	0	111.9	V214 E215 D216 L221 V303 L306 E307 Q310 L315 L320	V214-L218 HydrophobicContact CG1-CD1 4.29Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 2.88Å; E215-L218 PolarHBondContact O-N 3.29Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 2.84Å; L218-L221 HydrophobicContact CD2-CD1 4.4Å; L218-L221 PolarHBondContact O-N 2.94Å; L218-V303 HydrophobicContact CD2-CG1 4.05Å; L218-L306 HydrophobicContact CD2-CB 3.85Å; L218-E307 HydrophobicContact CD1-CB 4.45Å; L218-Q310 HydrophobicContact CD1-CB 3.93Å; L218-Q310 HydrophobicContact CD1-CG 4.13Å; L218-L315 HydrophobicContact CD1-CD2 4.33Å; L218-L320 HydrophobicContact CD2-CD1 4.45Å
219	F	88.8	Confident	85.8	Confident	99 Å²	99	43.5 Å²	43.5	43%	0.434	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-46	171.9	-77.6	-73.5	0	0	0	111.9	E215 D216 L217 L221 V222 G223 V224	E215-F219 HydrophobicContact CG-CD2 4.39Å; E215-F219 HydrophobicContact CG-CE2 3.96Å; E215-F219 VanDerWaalsContact O-CD2 3.23Å; E215-F219 WeakPolarHBondContact O-CD2 3.49Å; E215-F219 PolarHBondContact O-N 3.32Å; D216-F219 WeakPolarHBondContact O-CB 3.35Å; D216-F219 PolarHBondContact O-N 3Å; L217-F219 VanDerWaalsContact C-N 3.33Å; L217-F219 PolarHBondContact O-N 2.67Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 2.98Å; F219-V222 PolarHBondContact O-N 2.61Å; F219-V222 VanDerWaalsContact O-N 3.08Å; F219-G223 PolarHBondContact O-N 3.33Å; F219-V224 CarbonylContact C-O 3.59Å; F219-V224 VanDerWaalsContact C-O 3.28Å; F219-V224 HydrophobicContact CD1-CB 4.44Å; F219-V224 HydrophobicContact CD1-CG1 4.4Å; F219-V224 PolarHBondContact O-N 3.5Å; F219-V224 VanDerWaalsContact O-N 3.15Å
220	V	89.4	Confident	85.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-36.3	178.5	174.1	0	0	0	0	111.7	F188 D216 L217 V222 G223 V224 I229 F242 L260 A263	F188-V220 HydrophobicContact CE1-CB 4.38Å; F188-V220 HydrophobicContact CE1-CG1 4.03Å; F188-V220 HydrophobicContact CZ-CG1 3.87Å; F188-V220 VanDerWaalsContact CZ-O 3.25Å; F188-V220 WeakPolarHBondContact CZ-O 3.38Å; D216-V220 WeakPolarHBondContact O-CG2 3.19Å; D216-V220 PolarHBondContact O-N 2.92Å; L217-V220 PolarHBondContact O-N 2.69Å; V220-V222 PolarHBondContact O-N 2.94Å; V220-G223 PolarHBondContact O-N 3.47Å; V220-G223 VanDerWaalsContact O-N 3.09Å; V220-V224 WeakPolarHBondContact CA-O 3.46Å; V220-V224 PolarHBondContact N-O 3.38Å; V220-I229 HydrophobicContact CG1-CG2 4.39Å; V220-I229 HydrophobicContact CG2-CB 3.95Å; V220-I229 HydrophobicContact CG2-CG2 3.86Å; V220-F242 HydrophobicContact CG1-CD1 4.14Å; V220-F242 HydrophobicContact CG1-CE1 3.8Å; V220-F242 HydrophobicContact CG1-CZ 4.28Å; V220-L260 HydrophobicContact CG1-CD2 4.27Å; V220-A263 HydrophobicContact CG1-CB 3.73Å
221	L	88.4	Confident	85.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-23.7	176.4	-73.5	172.6	0	0	0	113.4	L217 L218 F219 I259 V262 Y299 V303	L217-L221 WeakPolarHBondContact O-CB 3.48Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.19Å; L218-L221 HydrophobicContact CD2-CD1 4.4Å; L218-L221 PolarHBondContact O-N 2.94Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 2.98Å; L221-I259 HydrophobicContact CD2-CG2 4.4Å; L221-V262 HydrophobicContact CD2-CG1 3.31Å; L221-Y299 WeakPolarHBondContact CA-OH 3.4Å; L221-Y299 WeakPolarHBondContact CB-OH 3.33Å; L221-Y299 WeakPolarHBondContact CD2-OH 3.19Å; L221-Y299 WeakPolarHBondContact O-CE1 3.44Å; L221-Y299 PolarHBondContact O-OH 2.99Å; L221-V303 HydrophobicContact CB-CG1 4.35Å; L221-V303 HydrophobicContact CB-CG2 4.21Å
222	V	87.9	Confident	85.6	Confident	57 Å²	57	42 Å²	42	35%	0.345	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3	176.5	-174.3	0	0	0	0	112.3	F219 V220 Y266 L300 V303	F219-V222 PolarHBondContact O-N 2.61Å; F219-V222 VanDerWaalsContact O-N 3.08Å; V220-V222 PolarHBondContact O-N 2.94Å; V222-Y266 WeakPolarHBondContact O-CE1 3.5Å; V222-Y266 PolarHBondContact O-OH 3.03Å; V222-Y266 VanDerWaalsContact O-OH 3.08Å; V222-L300 HydrophobicContact CG1-CD2 4.02Å; V222-V303 HydrophobicContact CG2-CB 4.25Å; V222-V303 HydrophobicContact CG2-CG1 3.55Å
223	G	85.3	Confident	85.1	Confident	6 Å²	6	42 Å²	42	6%	0.062	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	18.6	-178.6	0	0	0	0	0	114.6	D187 F188 F219 V220	D187-G223 CarbonylContact C-O 3.53Å; F188-G223 WeakPolarHBondContact CA-O 3.33Å; F188-G223 PolarHBondContact N-O 3.18Å; F219-G223 PolarHBondContact O-N 3.33Å; V220-G223 PolarHBondContact O-N 3.47Å; V220-G223 VanDerWaalsContact O-N 3.09Å
224	V	86.7	Confident	84.3	Confident	77 Å²	77	43.7 Å²	43.7	47%	0.467	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-101.1	135.8	171.7	-177.9	0	0	0	0	108.3	F188 F219 V220 G226	F188-V224 WeakPolarHBondContact CE1-O 3.27Å; F219-V224 CarbonylContact C-O 3.59Å; F219-V224 VanDerWaalsContact C-O 3.28Å; F219-V224 HydrophobicContact CD1-CB 4.44Å; F219-V224 HydrophobicContact CD1-CG1 4.4Å; F219-V224 PolarHBondContact O-N 3.5Å; F219-V224 VanDerWaalsContact O-N 3.15Å; V220-V224 WeakPolarHBondContact CA-O 3.46Å; V220-V224 PolarHBondContact N-O 3.38Å; V224-G226 PolarHBondContact O-N 2.69Å
225	D	82.8	Confident	82.9	Confident	51 Å²	51	51 Å²	51	27%	0.273	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.3	133.6	177.8	-77.7	-52.1	0	0	0	110.9	F188 A231	F188-D225 VanDerWaalsContact CD1-OD1 3.28Å; F188-D225 WeakPolarHBondContact CD1-OD1 3.46Å; D225-A231 WeakPolarHBondContact OD1-CB 3.4Å; D225-A231 PolarHBondContact OD1-N 3.47Å; D225-A231 VanDerWaalsContact OD1-N 3.08Å
226	G	79.3	Confident	81.7	Confident	11 Å²	11	49.2 Å²	49.2	11%	0.113	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-78.8	170.1	172.7	0	0	0	0	0	112.7	D216 V224 I229	D216-G226 VanDerWaalsContact OD1-C 3.23Å; D216-G226 WeakPolarHBondContact OD1-CA 3.35Å; V224-G226 PolarHBondContact O-N 2.69Å; G226-I229 CarbonylContact C-O 3.59Å; G226-I229 VanDerWaalsContact CA-O 3.31Å; G226-I229 WeakPolarHBondContact CA-O 3.29Å; G226-I229 PolarHBondContact N-O 3.43Å; G226-I229 VanDerWaalsContact N-O 3.1Å
227	R	80.1	Confident	80.5	Confident	206 Å²	206	54.5 Å²	54.5	78%	0.777	29%	0.289	S	S	*	.	S	Bend	trans	-73.6	-40.2	172	-63.5	-177.3	180	-179.9	2.7	111.5	D216	D216-R227 PolarHBondContact OD1-N 2.92Å; D216-R227 PolarHBondContact OD2-N 3.24Å
228	D	78.3	Confident	79.5	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.321	C	S	.	.	S	Bend	trans	-111.3	-24.7	-169.6	-53.7	-51.1	0	0	0	111.8	I201 D216 D245	I201-D228 HydrophobicContact CD1-CB 3.45Å; I201-D228 VanDerWaalsContact CD1-CB 3.45Å; I201-D228 VanDerWaalsContact CD1-OD1 3.25Å; I201-D228 WeakPolarHBondContact CD1-OD1 3.25Å; I201-D228 WeakPolarHBondContact CD1-OD2 3.48Å; D216-D228 WeakPolarHBondContact OD2-CA 3.2Å; D216-D228 WeakPolarHBondContact OD2-CB 3.36Å; D216-D228 PolarHBondContact OD2-N 3.23Å; D228-D245 PolarHBondContact O-N 3.15Å
229	I	83.9	Confident	78.9	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.4	172.8	-55.9	172.6	0	0	0	108.6	D216 L217 V220 G226 F242 I243 V256 L260	D216-I229 PolarHBondContact OD2-N 2.9Å; L217-I229 HydrophobicContact CB-CD1 4.42Å; L217-I229 HydrophobicContact CD1-CD1 4.02Å; V220-I229 HydrophobicContact CG1-CG2 4.39Å; V220-I229 HydrophobicContact CG2-CB 3.95Å; V220-I229 HydrophobicContact CG2-CG2 3.86Å; G226-I229 CarbonylContact C-O 3.59Å; G226-I229 VanDerWaalsContact CA-O 3.31Å; G226-I229 WeakPolarHBondContact CA-O 3.29Å; G226-I229 PolarHBondContact N-O 3.43Å; G226-I229 VanDerWaalsContact N-O 3.1Å; I229-F242 HydrophobicContact CG2-CB 4.26Å; I229-F242 HydrophobicContact CG2-CD1 4.42Å; I229-I243 WeakPolarHBondContact CA-O 3.4Å; I229-V256 HydrophobicContact CD1-CG1 3.73Å; I229-L260 HydrophobicContact CG2-CD2 3.87Å
230	T	83.3	Confident	78.6	Confident	58 Å²	58	61 Å²	61	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.5	-177.6	51.9	0	0	0	0	111.4	I243	T230-I243 PolarHBondContact N-O 3.48Å; T230-I243 PolarHBondContact O-N 2.83Å
231	A	83.9	Confident	78.4	Confident	11 Å²	11	63.5 Å²	63.5	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.5	178	0	0	0	0	0	111.9	F188 D225 F242	F188-A231 HydrophobicContact CB-CB 3.77Å; F188-A231 HydrophobicContact CD1-CB 3.74Å; F188-A231 HydrophobicContact CD2-CB 3.99Å; F188-A231 HydrophobicContact CE1-CB 4.3Å; F188-A231 HydrophobicContact CG-CB 3.56Å; D225-A231 WeakPolarHBondContact OD1-CB 3.4Å; D225-A231 PolarHBondContact OD1-N 3.47Å; D225-A231 VanDerWaalsContact OD1-N 3.08Å; A231-F242 HydrophobicContact CB-CD1 3.98Å; A231-F242 HydrophobicContact CB-CE1 3.83Å
232	Q	81.9	Confident	78.2	Confident	76 Å²	76	64.9 Å²	64.9	36%	0.355	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-76.5	147.7	171.9	-66.5	-169.7	-21.6	0	0	111.2	V234 R240 S241 I243	Q232-V234 PolarHBondContact O-N 2.97Å; Q232-R240 PolarHBondContact O-NH1 3.43Å; Q232-S241 WeakPolarHBondContact CB-O 3.36Å; Q232-S241 PolarHBondContact N-O 3.49Å; Q232-S241 PolarHBondContact OE1-OG 3.4Å; Q232-I243 HydrophobicContact CG-CD1 3.8Å; Q232-I243 HydrophobicContact CG-CG1 3.62Å
233	P	74.4	Confident	78	Confident	92 Å²	92	66.2 Å²	66.2	60%	0.597	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-63.8	129.8	171.1	26.8	-33	0	0	0	109.5	T190 L235	T190-P233 HydrophobicContact CG2-CB 4.38Å; P233-L235 PolarHBondContact O-N 3.38Å
234	V	70.4	Confident	78	Confident	37 Å²	37	66.8 Å²	66.8	22%	0.224	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-83.5	120.6	179.8	-178.4	0	0	0	0	109.7	Q232 G236 Q238 R240 R271	Q232-V234 PolarHBondContact O-N 2.97Å; V234-G236 WeakPolarHBondContact CG1-O 3.41Å; V234-Q238 VanDerWaalsContact CG1-O 3.27Å; V234-Q238 WeakPolarHBondContact CG1-O 3.46Å; V234-R240 HydrophobicContact CG2-CB 3.67Å; V234-R240 HydrophobicContact CG2-CG 3.67Å; V234-R271 VanDerWaalsContact CG2-NH1 3.33Å; V234-R271 VanDerWaalsContact CG2-NH2 3.32Å
235	L	60.4	Low	77.7	Confident	155 Å²	155	65.3 Å²	65.3	81%	0.812	34%	0.342	S	S	*	.			trans	-96.4	101.4	173.2	-70.8	160.7	0	0	0	109.2	P233	P233-L235 PolarHBondContact O-N 3.38Å
236	G	61.4	Low	77.4	Confident	47 Å²	47	66.8 Å²	66.8	49%	0.485	36%	0.362	S	S	.	.	S	Bend	trans	81.8	-154	175.7	0	0	0	0	0	115.3	V234 Q238	V234-G236 WeakPolarHBondContact CG1-O 3.41Å; G236-Q238 VanDerWaalsContact C-N 3.28Å; G236-Q238 PolarHBondContact O-N 2.72Å; G236-Q238 VanDerWaalsContact O-N 3.08Å
237	R	64	Low	77.4	Confident	119 Å²	119	69.3 Å²	69.3	45%	0.449	38%	0.375	S	S	.	.	S	Bend	trans	-83.5	56	-176.1	-72	-178.3	166.9	158.5	3.9	112.7	D342 E345	R237-D342 WeakPolarHBondContact CD-OD2 3.3Å; R237-D342 VanDerWaalsContact CZ-O 3.25Å; R237-D342 IonicContact CZ-OD2 2.77Å; R237-D342 IonicContact NE-OD2 2.79Å; R237-D342 PolarHBondContact NE-OD2 3.25Å; R237-D342 PolarHBondContact NH1-O 2.88Å; R237-D342 PolarHBondContact NH2-O 3.38Å; R237-D342 IonicContact NH2-OD1 3.21Å; R237-D342 IonicContact NH2-OD2 3.37Å; R237-E345 IonicContact NH2-OE1 3.05Å
238	Q	69.6	Low	77.4	Confident	144 Å²	144	60.1 Å²	60.1	67%	0.673	34%	0.341	S	S	*	.			trans	-120.8	154.9	178.3	-64.2	-169.5	5.9	0	0	112.3	V234 G236	V234-Q238 VanDerWaalsContact CG1-O 3.27Å; V234-Q238 WeakPolarHBondContact CG1-O 3.46Å; G236-Q238 VanDerWaalsContact C-N 3.28Å; G236-Q238 PolarHBondContact O-N 2.72Å; G236-Q238 VanDerWaalsContact O-N 3.08Å
239	N	76.7	Confident	77.6	Confident	86 Å²	86	61.5 Å²	61.5	46%	0.46	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.9	143.9	170.2	-73.2	-6.3	0	0	0	109.7
240	R	82.4	Confident	77.7	Confident	12 Å²	12	68.3 Å²	68.3	5%	0.045	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-71	130.1	-179.4	-171.1	177.3	-84.4	-104.1	28.6	110.5	D187 F188 Q232 V234 F242 S264 S267 R271	D187-R240 IonicContact OD1-CZ 3.7Å; D187-R240 IonicContact OD1-NE 2.8Å; D187-R240 PolarHBondContact OD1-NE 2.93Å; D187-R240 IonicContact OD1-NH2 2.98Å; D187-R240 PolarHBondContact OD1-NH2 3.39Å; D187-R240 VanDerWaalsContact OD1-NH2 3.11Å; D187-R240 IonicContact OD2-CZ 3.55Å; D187-R240 IonicContact OD2-NE 2.7Å; D187-R240 IonicContact OD2-NH2 3.13Å; D187-R240 PolarHBondContact OD2-NH2 2.77Å; F188-R240 PolarHBondContact O-NH2 3.42Å; Q232-R240 PolarHBondContact O-NH1 3.43Å; V234-R240 HydrophobicContact CG2-CB 3.67Å; V234-R240 HydrophobicContact CG2-CG 3.67Å; R240-F242 HydrophobicContact CG-CZ 4.31Å; R240-S264 PolarHBondContact N-OG 2.71Å; R240-S264 WeakPolarHBondContact O-CB 3.29Å; R240-S264 PolarHBondContact O-OG 3.26Å; R240-S267 WeakPolarHBondContact CD-OG 3.4Å; R240-S267 PolarHBondContact NE-OG 3.31Å; R240-R271 VanDerWaalsContact NE-NH2 3.15Å
241	S	84.7	Confident	77.8	Confident	54 Å²	54	69 Å²	69	38%	0.378	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-96.4	154.3	172.4	46.1	0	0	0	0	111	Q232	Q232-S241 WeakPolarHBondContact CB-O 3.36Å; Q232-S241 PolarHBondContact N-O 3.49Å; Q232-S241 PolarHBondContact OE1-OG 3.4Å
242	F	85.6	Confident	77.9	Confident	30 Å²	30	69.2 Å²	69.2	13%	0.132	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.4	-178.6	-62.2	-83.9	0	0	0	110.3	F188 V220 I229 A231 R240 L260 A263	F188-F242 HydrophobicContact CD2-CE1 4.39Å; F188-F242 AromaticContact CE1-CE1 3.96Å; F188-F242 HydrophobicContact CE1-CE1 3.96Å; F188-F242 AromaticContact CE2-CE1 3.67Å; F188-F242 HydrophobicContact CE2-CE1 3.67Å; F188-F242 AromaticContact CE2-CZ 3.74Å; F188-F242 HydrophobicContact CE2-CZ 3.74Å; F188-F242 AromaticContact CZ-CE1 3.42Å; F188-F242 HydrophobicContact CZ-CE1 3.42Å; F188-F242 VanDerWaalsContact CZ-CE1 3.42Å; F188-F242 AromaticContact CZ-CZ 3.76Å; F188-F242 HydrophobicContact CZ-CZ 3.76Å; V220-F242 HydrophobicContact CG1-CD1 4.14Å; V220-F242 HydrophobicContact CG1-CE1 3.8Å; V220-F242 HydrophobicContact CG1-CZ 4.28Å; I229-F242 HydrophobicContact CG2-CB 4.26Å; I229-F242 HydrophobicContact CG2-CD1 4.42Å; A231-F242 HydrophobicContact CB-CD1 3.98Å; A231-F242 HydrophobicContact CB-CE1 3.83Å; R240-F242 HydrophobicContact CG-CZ 4.31Å; F242-L260 HydrophobicContact CB-CD1 4Å; F242-L260 HydrophobicContact CB-CD2 4.04Å; F242-L260 HydrophobicContact CD2-CB 4.25Å; F242-L260 HydrophobicContact CD2-CD2 4.02Å; F242-L260 HydrophobicContact CG-CD2 3.94Å; F242-A263 HydrophobicContact CE1-CB 4.45Å; F242-A263 HydrophobicContact CE2-CB 3.89Å; F242-A263 HydrophobicContact CZ-CB 3.65Å
243	I	83.7	Confident	78.1	Confident	85 Å²	85	68.2 Å²	68.2	44%	0.436	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.1	171.9	-57.3	172	0	0	0	107.5	I229 T230 Q232	I229-I243 WeakPolarHBondContact CA-O 3.4Å; T230-I243 PolarHBondContact N-O 3.48Å; T230-I243 PolarHBondContact O-N 2.83Å; Q232-I243 HydrophobicContact CG-CD1 3.8Å; Q232-I243 HydrophobicContact CG-CG1 3.62Å
244	V	83.7	Confident	78.8	Confident	17 Å²	17	68.3 Å²	68.3	10%	0.103	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.9	174.1	-178.8	0	0	0	0	108.2	A246 L248 K253 V256 L260	V244-A246 PolarHBondContact O-N 3.36Å; V244-L248 HydrophobicContact CG1-CD1 3.44Å; V244-L248 VanDerWaalsContact CG1-CD1 3.44Å; V244-K253 HydrophobicContact CG1-CG 4.32Å; V244-V256 HydrophobicContact CG2-CG1 4.04Å; V244-L260 HydrophobicContact CG2-CD1 3.65Å
245	D	81	Confident	79.6	Confident	46 Å²	46	67.8 Å²	67.8	25%	0.246	37%	0.372	C	S	.	.			trans	-50.8	135.7	178.1	-173.2	12	0	0	0	112	D228 T247 L248	D228-D245 PolarHBondContact O-N 3.15Å; D245-T247 PolarHBondContact O-N 3.41Å; D245-T247 PolarHBondContact OD1-N 3.02Å; D245-T247 PolarHBondContact OD2-OG1 3.06Å; D245-L248 HydrophobicContact CB-CD1 3.98Å
246	A	75.9	Confident	80.9	Confident	83 Å²	83	60.4 Å²	60.4	69%	0.686	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.1	-179.1	0	0	0	0	0	112.5	V244	V244-A246 PolarHBondContact O-N 3.36Å
247	T	79.4	Confident	82.3	Confident	63 Å²	63	61.5 Å²	61.5	39%	0.387	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-3.3	-175.2	77.2	0	0	0	0	115	G202 D245	G202-T247 WeakPolarHBondContact CA-O 3.37Å; G202-T247 PolarHBondContact N-OG1 2.84Å; D245-T247 PolarHBondContact O-N 3.41Å; D245-T247 PolarHBondContact OD1-N 3.02Å; D245-T247 PolarHBondContact OD2-OG1 3.06Å
248	L	80.2	Confident	83.5	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.068	33%	0.329	C	S	.	.	S	Bend	trans	-69.7	149.3	177.8	-82.4	152.8	0	0	0	112.9	I201 V213 V244 D245 M250 I252	I201-L248 HydrophobicContact CD1-CD2 4.42Å; I201-L248 HydrophobicContact CG2-CD2 3.79Å; I201-L248 HydrophobicContact CG2-CG 4.32Å; V213-L248 HydrophobicContact CG2-CD2 3.43Å; V213-L248 VanDerWaalsContact CG2-CD2 3.43Å; V244-L248 HydrophobicContact CG1-CD1 3.44Å; V244-L248 VanDerWaalsContact CG1-CD1 3.44Å; D245-L248 HydrophobicContact CB-CD1 3.98Å; L248-M250 PolarHBondContact O-N 3.41Å; L248-I252 HydrophobicContact CD2-CG2 4.36Å
249	D	83.6	Confident	84.5	Confident	60 Å²	60	55 Å²	55	32%	0.321	30%	0.297	S	S	.	.			trans	-56.8	137.8	170.9	-178.2	71.7	0	0	0	111.2	L206 S251 I252 K253	L206-D249 HydrophobicContact CD2-CB 3.74Å; D249-S251 PolarHBondContact O-N 3.22Å; D249-S251 VanDerWaalsContact OD2-CB 3.28Å; D249-S251 WeakPolarHBondContact OD2-CB 3.15Å; D249-S251 PolarHBondContact OD2-N 3.05Å; D249-S251 PolarHBondContact OD2-OG 3.43Å; D249-I252 HydrophobicContact CB-CB 4.5Å; D249-I252 HydrophobicContact CB-CD1 4.2Å; D249-I252 HydrophobicContact CB-CG1 4.29Å; D249-I252 PolarHBondContact O-N 3.35Å; D249-K253 WeakPolarHBondContact O-CB 3.41Å; D249-K253 PolarHBondContact O-N 3.5Å
250	M	84.4	Confident	85.1	Confident	146 Å²	146	51.4 Å²	51.4	72%	0.719	28%	0.278	S	S	*	.	H	α-helix	trans	-61.2	-33.4	-173.6	-169	67.3	73.6	0	0	112.4	L248 E254	L248-M250 PolarHBondContact O-N 3.41Å; M250-E254 WeakPolarHBondContact O-CB 3.45Å; M250-E254 PolarHBondContact O-N 3.27Å
251	S	87.1	Confident	85.5	Confident	74 Å²	74	53 Å²	53	52%	0.517	29%	0.29	S	S	.	.	H	α-helix	trans	-71.5	-42.6	-179.9	73.4	0	0	0	0	112	D249 E254 L255	D249-S251 PolarHBondContact O-N 3.22Å; D249-S251 VanDerWaalsContact OD2-CB 3.28Å; D249-S251 WeakPolarHBondContact OD2-CB 3.15Å; D249-S251 PolarHBondContact OD2-N 3.05Å; D249-S251 PolarHBondContact OD2-OG 3.43Å; S251-E254 PolarHBondContact O-N 2.76Å; S251-L255 PolarHBondContact O-N 3.24Å; S251-L255 VanDerWaalsContact O-N 3.16Å
252	I	85.4	Confident	85.8	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-43.8	175.5	-61.7	178	0	0	0	109.5	L206 Q209 V213 L248 D249 E254 L255 V256 L317	L206-I252 HydrophobicContact CD2-CD1 4.44Å; Q209-I252 HydrophobicContact CB-CD1 4.27Å; V213-I252 HydrophobicContact CG1-CG2 4.16Å; V213-I252 HydrophobicContact CG2-CG2 4.35Å; L248-I252 HydrophobicContact CD2-CG2 4.36Å; D249-I252 HydrophobicContact CB-CB 4.5Å; D249-I252 HydrophobicContact CB-CD1 4.2Å; D249-I252 HydrophobicContact CB-CG1 4.29Å; D249-I252 PolarHBondContact O-N 3.35Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-E254 PolarHBondContact O-N 3.31Å; I252-L255 WeakPolarHBondContact O-CB 3.45Å; I252-L255 PolarHBondContact O-N 3.4Å; I252-L255 VanDerWaalsContact O-N 3.17Å; I252-V256 HydrophobicContact CG2-CG2 4.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.38Å; I252-V256 PolarHBondContact O-N 3.42Å; I252-L317 HydrophobicContact CG2-CD2 3.92Å
253	K	86.3	Confident	86	Confident	55 Å²	55	49 Å²	49	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-43.7	177.9	-174.1	173.7	-175.3	165.1	0	112.7	V244 D249 V256 N257	V244-K253 HydrophobicContact CG1-CG 4.32Å; D249-K253 WeakPolarHBondContact O-CB 3.41Å; D249-K253 PolarHBondContact O-N 3.5Å; K253-V256 PolarHBondContact O-N 3.06Å; K253-N257 WeakPolarHBondContact O-CB 3.49Å; K253-N257 VanDerWaalsContact O-CG 3.28Å; K253-N257 PolarHBondContact O-N 3.33Å; K253-N257 PolarHBondContact O-ND2 3.08Å
254	E	88	Confident	86.3	Confident	94 Å²	94	45.5 Å²	45.5	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-40.9	176	176.3	58.2	-159.2	0	0	112	M250 S251 I252 N257 R258	M250-E254 WeakPolarHBondContact O-CB 3.45Å; M250-E254 PolarHBondContact O-N 3.27Å; S251-E254 PolarHBondContact O-N 2.76Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-E254 PolarHBondContact O-N 3.31Å; E254-N257 PolarHBondContact O-N 3.04Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.16Å; E254-R258 VanDerWaalsContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 3.99Å; E254-R258 IonicContact OE1-NE 3Å; E254-R258 PolarHBondContact OE1-NE 3.05Å; E254-R258 VanDerWaalsContact OE1-NE 3.09Å; E254-R258 IonicContact OE1-NH2 3.46Å; E254-R258 PolarHBondContact OE1-NH2 3.33Å
255	L	87.9	Confident	86.6	Confident	26 Å²	26	46.7 Å²	46.7	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-43	174.7	-91.7	144.8	0	0	0	112.5	S251 I252 R258 I259 L317	S251-L255 PolarHBondContact O-N 3.24Å; S251-L255 VanDerWaalsContact O-N 3.16Å; I252-L255 WeakPolarHBondContact O-CB 3.45Å; I252-L255 PolarHBondContact O-N 3.4Å; I252-L255 VanDerWaalsContact O-N 3.17Å; L255-R258 WeakPolarHBondContact O-CB 3.14Å; L255-R258 PolarHBondContact O-N 2.9Å; L255-I259 WeakPolarHBondContact O-CG1 3.41Å; L255-I259 PolarHBondContact O-N 3.01Å; L255-L317 HydrophobicContact CB-CD2 3.63Å; L255-L317 HydrophobicContact CB-CG 4.21Å; L255-L317 HydrophobicContact CD1-CD2 4.31Å; L255-L317 HydrophobicContact CG-CD2 4.44Å
256	V	88.8	Confident	87.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-46.8	174.6	171.7	0	0	0	0	110.3	V213 I229 V244 I252 K253 R258 I259 L260	V213-V256 HydrophobicContact CG1-CG2 3.4Å; V213-V256 VanDerWaalsContact CG1-CG2 3.4Å; I229-V256 HydrophobicContact CD1-CG1 3.73Å; V244-V256 HydrophobicContact CG2-CG1 4.04Å; I252-V256 HydrophobicContact CG2-CG2 4.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.38Å; I252-V256 PolarHBondContact O-N 3.42Å; K253-V256 PolarHBondContact O-N 3.06Å; V256-R258 PolarHBondContact O-N 3.35Å; V256-R258 VanDerWaalsContact O-N 3.15Å; V256-I259 PolarHBondContact O-N 3.23Å; V256-L260 HydrophobicContact CG1-CD1 3.89Å; V256-L260 HydrophobicContact CG1-CD2 4.39Å; V256-L260 HydrophobicContact CG1-CG 3.94Å; V256-L260 WeakPolarHBondContact O-CG 3.37Å; V256-L260 PolarHBondContact O-N 3.38Å
257	N	89.4	Confident	87.8	Confident	71 Å²	71	41.2 Å²	41.2	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-27	177.3	-75.2	-28.9	0	0	0	113.7	K253 E254 P261	K253-N257 WeakPolarHBondContact O-CB 3.49Å; K253-N257 VanDerWaalsContact O-CG 3.28Å; K253-N257 PolarHBondContact O-N 3.33Å; K253-N257 PolarHBondContact O-ND2 3.08Å; E254-N257 PolarHBondContact O-N 3.04Å; N257-P261 VanDerWaalsContact O-CD 3.29Å; N257-P261 WeakPolarHBondContact O-CD 3.37Å
258	R	90	Very high	88.3	Confident	125 Å²	125	39.1 Å²	39.1	47%	0.472	20%	0.197	S	C	.	.	H	α-helix	trans	-75.5	-29.7	172.9	-69.6	176.7	-169.6	-170.7	2.5	113.1	E254 L255 V256 P261 W321 M328	E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.16Å; E254-R258 VanDerWaalsContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 3.99Å; E254-R258 IonicContact OE1-NE 3Å; E254-R258 PolarHBondContact OE1-NE 3.05Å; E254-R258 VanDerWaalsContact OE1-NE 3.09Å; E254-R258 IonicContact OE1-NH2 3.46Å; E254-R258 PolarHBondContact OE1-NH2 3.33Å; L255-R258 WeakPolarHBondContact O-CB 3.14Å; L255-R258 PolarHBondContact O-N 2.9Å; V256-R258 PolarHBondContact O-N 3.35Å; V256-R258 VanDerWaalsContact O-N 3.15Å; R258-P261 WeakPolarHBondContact O-CD 3.39Å; R258-W321 HydrophobicContact CB-CE3 4.36Å; R258-W321 HydrophobicContact CB-CH2 3.84Å; R258-W321 HydrophobicContact CB-CZ2 4.31Å; R258-W321 HydrophobicContact CB-CZ3 3.87Å; R258-W321 VanDerWaalsContact O-CZ3 3.22Å; R258-W321 WeakPolarHBondContact O-CZ3 3.39Å; R258-M328 WeakPolarHBondContact O-CE 3.22Å
259	I	90.4	Very high	88.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-83.6	-38	-180	-61.2	163.9	0	0	0	111.3	L217 L221 L255 V256 P261 V262 L317 L320 W321 I324	L217-I259 HydrophobicContact CD1-CG2 4.07Å; L217-I259 HydrophobicContact CD2-CB 4.03Å; L217-I259 HydrophobicContact CD2-CD1 3.57Å; L217-I259 HydrophobicContact CD2-CG1 4.37Å; L217-I259 HydrophobicContact CD2-CG2 3.73Å; L217-I259 HydrophobicContact CG-CG2 4.1Å; L221-I259 HydrophobicContact CD2-CG2 4.4Å; L255-I259 WeakPolarHBondContact O-CG1 3.41Å; L255-I259 PolarHBondContact O-N 3.01Å; V256-I259 PolarHBondContact O-N 3.23Å; I259-P261 VanDerWaalsContact C-N 3.3Å; I259-P261 WeakPolarHBondContact O-CD 3.49Å; I259-V262 HydrophobicContact CG2-CG1 4.18Å; I259-V262 WeakPolarHBondContact O-CG1 3.23Å; I259-V262 PolarHBondContact O-N 3.29Å; I259-L317 HydrophobicContact CD1-CD1 3.78Å; I259-L317 HydrophobicContact CD1-CG 4.44Å; I259-L320 HydrophobicContact CD1-CD2 4.39Å; I259-W321 HydrophobicContact CD1-CB 4.41Å; I259-W321 HydrophobicContact CG1-CE3 3.65Å; I259-W321 HydrophobicContact CG1-CZ3 4.28Å; I259-I324 HydrophobicContact CB-CD1 4Å; I259-I324 HydrophobicContact CG1-CD1 3.74Å; I259-I324 HydrophobicContact CG2-CD1 3.4Å
260	L	89.4	Confident	89.1	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-50.4	-32.1	-176.2	-74.3	173.8	0	0	0	116.8	L217 V220 I229 F242 V244 V256 V262 A263 S264	L217-L260 HydrophobicContact CD1-CD2 4.16Å; V220-L260 HydrophobicContact CG1-CD2 4.27Å; I229-L260 HydrophobicContact CG2-CD2 3.87Å; F242-L260 HydrophobicContact CB-CD1 4Å; F242-L260 HydrophobicContact CB-CD2 4.04Å; F242-L260 HydrophobicContact CD2-CB 4.25Å; F242-L260 HydrophobicContact CD2-CD2 4.02Å; F242-L260 HydrophobicContact CG-CD2 3.94Å; V244-L260 HydrophobicContact CG2-CD1 3.65Å; V256-L260 HydrophobicContact CG1-CD1 3.89Å; V256-L260 HydrophobicContact CG1-CD2 4.39Å; V256-L260 HydrophobicContact CG1-CG 3.94Å; V256-L260 WeakPolarHBondContact O-CG 3.37Å; V256-L260 PolarHBondContact O-N 3.38Å; L260-V262 PolarHBondContact O-N 2.96Å; L260-A263 WeakPolarHBondContact O-CB 3.5Å; L260-A263 PolarHBondContact O-N 3.33Å; L260-S264 PolarHBondContact O-N 2.91Å; L260-S264 VanDerWaalsContact O-N 3.17Å
261	P	91.3	Very high	89.2	Confident	46 Å²	46	32.6 Å²	32.6	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-53.1	-35.8	174.4	-30.5	37	0	0	0	114.3	N257 R258 I259 A263 S264 Y265	N257-P261 VanDerWaalsContact O-CD 3.29Å; N257-P261 WeakPolarHBondContact O-CD 3.37Å; R258-P261 WeakPolarHBondContact O-CD 3.39Å; I259-P261 VanDerWaalsContact C-N 3.3Å; I259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-A263 VanDerWaalsContact C-N 3.33Å; P261-A263 PolarHBondContact O-N 3.09Å; P261-S264 VanDerWaalsContact O-CB 3.32Å; P261-S264 WeakPolarHBondContact O-CB 3.48Å; P261-S264 PolarHBondContact O-N 3.03Å; P261-S264 VanDerWaalsContact O-N 3.14Å; P261-Y265 HydrophobicContact CB-CE2 4.13Å; P261-Y265 VanDerWaalsContact O-CD2 3.24Å; P261-Y265 WeakPolarHBondContact O-CD2 3.33Å; P261-Y265 VanDerWaalsContact O-CG 3.25Å; P261-Y265 PolarHBondContact O-N 2.97Å
262	V	90.4	Very high	89.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-34.9	178.6	61.6	0	0	0	0	112.3	L221 I259 L260 S264 Y265 Y266 Y299 I324 M328 M331	L221-V262 HydrophobicContact CD2-CG1 3.31Å; I259-V262 HydrophobicContact CG2-CG1 4.18Å; I259-V262 WeakPolarHBondContact O-CG1 3.23Å; I259-V262 PolarHBondContact O-N 3.29Å; L260-V262 PolarHBondContact O-N 2.96Å; V262-S264 VanDerWaalsContact C-N 3.32Å; V262-Y265 PolarHBondContact O-N 3.42Å; V262-Y266 WeakPolarHBondContact O-CB 3.49Å; V262-Y266 PolarHBondContact O-N 3.14Å; V262-Y299 HydrophobicContact CG2-CE2 3.92Å; V262-I324 HydrophobicContact CG1-CD1 4.37Å; V262-M328 HydrophobicContact CB-CE 3.96Å; V262-M328 HydrophobicContact CG1-CE 4.01Å; V262-M331 HydrophobicContact CG2-CB 4.27Å; V262-M331 HydrophobicContact CG2-CG 4.18Å
263	A	89.1	Confident	89.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-33.4	174.1	0	0	0	0	0	111.7	V220 F242 L260 P261 S267	V220-A263 HydrophobicContact CG1-CB 3.73Å; F242-A263 HydrophobicContact CE1-CB 4.45Å; F242-A263 HydrophobicContact CE2-CB 3.89Å; F242-A263 HydrophobicContact CZ-CB 3.65Å; L260-A263 WeakPolarHBondContact O-CB 3.5Å; L260-A263 PolarHBondContact O-N 3.33Å; P261-A263 VanDerWaalsContact C-N 3.33Å; P261-A263 PolarHBondContact O-N 3.09Å; A263-S267 PolarHBondContact O-N 3.35Å; A263-S267 VanDerWaalsContact O-N 3.09Å
264	S	89.6	Confident	89.7	Confident	11 Å²	11	29.6 Å²	29.6	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-45	172.6	-161.4	0	0	0	0	111.3	R240 L260 P261 V262 S267 T268	R240-S264 PolarHBondContact N-OG 2.71Å; R240-S264 WeakPolarHBondContact O-CB 3.29Å; R240-S264 PolarHBondContact O-OG 3.26Å; L260-S264 PolarHBondContact O-N 2.91Å; L260-S264 VanDerWaalsContact O-N 3.17Å; P261-S264 VanDerWaalsContact O-CB 3.32Å; P261-S264 WeakPolarHBondContact O-CB 3.48Å; P261-S264 PolarHBondContact O-N 3.03Å; P261-S264 VanDerWaalsContact O-N 3.14Å; V262-S264 VanDerWaalsContact C-N 3.32Å; S264-S267 PolarHBondContact O-N 3.4Å; S264-T268 PolarHBondContact O-N 3.12Å; S264-T268 VanDerWaalsContact O-N 3.1Å; S264-T268 PolarHBondContact O-OG1 3.05Å
265	Y	91.4	Very high	89.6	Confident	42 Å²	42	28.2 Å²	28.2	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-43.2	176.1	-59.9	-33.3	0	0	0	112.1	P261 V262 S267 T268 I269 M331 E332 A335	P261-Y265 HydrophobicContact CB-CE2 4.13Å; P261-Y265 VanDerWaalsContact O-CD2 3.24Å; P261-Y265 WeakPolarHBondContact O-CD2 3.33Å; P261-Y265 VanDerWaalsContact O-CG 3.25Å; P261-Y265 PolarHBondContact O-N 2.97Å; V262-Y265 PolarHBondContact O-N 3.42Å; Y265-S267 PolarHBondContact O-N 3.24Å; Y265-T268 PolarHBondContact O-N 2.95Å; Y265-I269 WeakPolarHBondContact O-CD1 3.25Å; Y265-I269 WeakPolarHBondContact O-CG1 3.47Å; Y265-I269 PolarHBondContact O-N 3.45Å; Y265-M331 HydrophobicContact CD2-CB 4.36Å; Y265-E332 HydrophobicContact CD2-CB 3.99Å; Y265-E332 HydrophobicContact CE2-CB 3.57Å; Y265-E332 HydrophobicContact CE2-CG 3.96Å; Y265-A335 HydrophobicContact CD1-CB 3.58Å; Y265-A335 HydrophobicContact CE1-CB 4.48Å; Y265-A335 HydrophobicContact CG-CB 3.95Å
266	Y	91.9	Very high	89.5	Confident	15 Å²	15	27.6 Å²	27.6	6%	0.059	13%	0.129	C	C	.	.	H	α-helix	trans	-53.6	-51.8	173.3	174.7	-91.3	0	0	0	111.3	G186 V222 V262 T268 I269 T270 M296 Y299 L300 M331	G186-Y266 WeakPolarHBondContact O-CE1 2.97Å; G186-Y266 PolarHBondContact O-OH 3.03Å; V222-Y266 WeakPolarHBondContact O-CE1 3.5Å; V222-Y266 PolarHBondContact O-OH 3.03Å; V222-Y266 VanDerWaalsContact O-OH 3.08Å; V262-Y266 WeakPolarHBondContact O-CB 3.49Å; V262-Y266 PolarHBondContact O-N 3.14Å; Y266-T268 PolarHBondContact O-N 2.96Å; Y266-I269 PolarHBondContact O-N 3.31Å; Y266-T270 PolarHBondContact O-N 3.2Å; Y266-T270 PolarHBondContact O-OG1 2.96Å; Y266-M296 HydrophobicContact CD2-CE 3.15Å; Y266-M296 HydrophobicContact CE2-CE 3.29Å; Y266-M296 HydrophobicContact CG-CE 4.1Å; Y266-Y299 AromaticContact CD2-CD1 3.81Å; Y266-Y299 HydrophobicContact CD2-CD1 3.81Å; Y266-Y299 AromaticContact CD2-CE1 3.4Å; Y266-Y299 HydrophobicContact CD2-CE1 3.4Å; Y266-Y299 HydrophobicContact CE2-CD1 4.16Å; Y266-Y299 AromaticContact CE2-CE1 3.93Å; Y266-Y299 HydrophobicContact CE2-CE1 3.93Å; Y266-Y299 HydrophobicContact CG-CE1 4.2Å; Y266-L300 HydrophobicContact CE2-CD2 4.11Å; Y266-M331 HydrophobicContact CD2-CE 3.95Å; Y266-M331 HydrophobicContact CG-CE 4.47Å
267	S	89.8	Confident	89.5	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-45.4	178.8	-175.4	0	0	0	0	112.5	D187 R240 A263 S264 Y265 R271	D187-S267 VanDerWaalsContact CG-OG 3.23Å; D187-S267 WeakPolarHBondContact OD1-CB 3.43Å; D187-S267 PolarHBondContact OD1-OG 3.14Å; D187-S267 PolarHBondContact OD2-OG 3.25Å; R240-S267 WeakPolarHBondContact CD-OG 3.4Å; R240-S267 PolarHBondContact NE-OG 3.31Å; A263-S267 PolarHBondContact O-N 3.35Å; A263-S267 VanDerWaalsContact O-N 3.09Å; S264-S267 PolarHBondContact O-N 3.4Å; Y265-S267 PolarHBondContact O-N 3.24Å; S267-R271 WeakPolarHBondContact O-CB 3.35Å; S267-R271 VanDerWaalsContact O-CG 3.27Å; S267-R271 WeakPolarHBondContact O-CG 3.27Å; S267-R271 PolarHBondContact O-N 2.95Å; S267-R271 VanDerWaalsContact O-N 3.13Å
268	T	88.9	Confident	89.3	Confident	19 Å²	19	25.8 Å²	25.8	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-42.7	178.4	-61	0	0	0	0	112.2	S264 Y265 Y266 F272 A335	S264-T268 PolarHBondContact O-N 3.12Å; S264-T268 VanDerWaalsContact O-N 3.1Å; S264-T268 PolarHBondContact O-OG1 3.05Å; Y265-T268 PolarHBondContact O-N 2.95Å; Y266-T268 PolarHBondContact O-N 2.96Å; T268-F272 WeakPolarHBondContact O-CB 3.47Å; T268-F272 PolarHBondContact O-N 2.84Å; T268-F272 VanDerWaalsContact O-N 3.11Å; T268-A335 HydrophobicContact CG2-CB 4.47Å
269	I	91.3	Very high	89.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-45.7	-178.9	-63.2	159.4	0	0	0	110.7	Y265 Y266 R271 F272 I273 M296 M331 L334 A335	Y265-I269 WeakPolarHBondContact O-CD1 3.25Å; Y265-I269 WeakPolarHBondContact O-CG1 3.47Å; Y265-I269 PolarHBondContact O-N 3.45Å; Y266-I269 PolarHBondContact O-N 3.31Å; I269-R271 PolarHBondContact O-N 2.88Å; I269-F272 WeakPolarHBondContact O-CB 3.47Å; I269-F272 PolarHBondContact O-N 3.43Å; I269-I273 HydrophobicContact CG2-CD1 3.64Å; I269-I273 HydrophobicContact CG2-CG1 4.23Å; I269-I273 WeakPolarHBondContact O-CB 3.34Å; I269-I273 VanDerWaalsContact O-CG1 3.29Å; I269-I273 WeakPolarHBondContact O-CG1 3.46Å; I269-I273 PolarHBondContact O-N 3.16Å; I269-M296 HydrophobicContact CB-CE 4.45Å; I269-M296 HydrophobicContact CB-SD 4.05Å; I269-M296 HydrophobicContact CD1-SD 4.11Å; I269-M296 HydrophobicContact CG2-CE 4.28Å; I269-M296 HydrophobicContact CG2-CG 3.85Å; I269-M296 HydrophobicContact CG2-SD 3.52Å; I269-M296 VanDerWaalsContact CG2-SD 3.52Å; I269-M331 HydrophobicContact CD1-CB 4.38Å; I269-M331 HydrophobicContact CD1-CE 4.28Å; I269-M331 HydrophobicContact CD1-SD 3.77Å; I269-L334 HydrophobicContact CD1-CB 3.52Å; I269-L334 HydrophobicContact CD1-CD1 4.24Å; I269-L334 HydrophobicContact CG1-CB 3.97Å; I269-A335 HydrophobicContact CD1-CB 4.4Å; I269-A335 HydrophobicContact CG1-CB 4.19Å
270	T	90.4	Very high	88.8	Confident	14 Å²	14	22.7 Å²	22.7	9%	0.086	11%	0.112	C	C	.	.	H	α-helix	trans	-65.2	-42	-177.9	-46.1	0	0	0	0	111.5	I185 Y266 F272 I273 E274	I185-T270 WeakPolarHBondContact O-CG2 3.45Å; Y266-T270 PolarHBondContact O-N 3.2Å; Y266-T270 PolarHBondContact O-OG1 2.96Å; T270-F272 VanDerWaalsContact C-N 3.34Å; T270-F272 PolarHBondContact O-N 3.48Å; T270-I273 PolarHBondContact O-N 3.06Å; T270-E274 PolarHBondContact O-N 3.39Å
271	R	86.6	Confident	88.5	Confident	67 Å²	67	22.8 Å²	22.8	25%	0.253	11%	0.111	S	C	.	.	H	α-helix	trans	-58.2	-45.3	172	-73.7	174.5	179.8	174.8	0.6	112.5	I185 D187 V234 R240 S267 I269 E274 E275	I185-R271 HydrophobicContact CG2-CG 4.11Å; D187-R271 IonicContact OD2-CZ 2.7Å; D187-R271 IonicContact OD2-NE 3.13Å; D187-R271 PolarHBondContact OD2-NE 3.4Å; D187-R271 IonicContact OD2-NH2 2.73Å; D187-R271 PolarHBondContact OD2-NH2 2.9Å; V234-R271 VanDerWaalsContact CG2-NH1 3.33Å; V234-R271 VanDerWaalsContact CG2-NH2 3.32Å; R240-R271 VanDerWaalsContact NE-NH2 3.15Å; S267-R271 WeakPolarHBondContact O-CB 3.35Å; S267-R271 VanDerWaalsContact O-CG 3.27Å; S267-R271 WeakPolarHBondContact O-CG 3.27Å; S267-R271 PolarHBondContact O-N 2.95Å; S267-R271 VanDerWaalsContact O-N 3.13Å; I269-R271 PolarHBondContact O-N 2.88Å; R271-E274 PolarHBondContact O-N 2.94Å; R271-E275 WeakPolarHBondContact O-CB 3.22Å; R271-E275 PolarHBondContact O-N 2.94Å
272	F	89.3	Confident	88.3	Confident	11 Å²	11	20.7 Å²	20.7	5%	0.048	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-44.2	179	175.4	-94.3	0	0	0	111.8	T268 I269 T270 K276 L288 T289 M292 A338 L341	T268-F272 WeakPolarHBondContact O-CB 3.47Å; T268-F272 PolarHBondContact O-N 2.84Å; T268-F272 VanDerWaalsContact O-N 3.11Å; I269-F272 WeakPolarHBondContact O-CB 3.47Å; I269-F272 PolarHBondContact O-N 3.43Å; T270-F272 VanDerWaalsContact C-N 3.34Å; T270-F272 PolarHBondContact O-N 3.48Å; F272-K276 HydrophobicContact CD2-CG 3.77Å; F272-K276 HydrophobicContact CE1-CG 4.44Å; F272-K276 HydrophobicContact CE2-CB 4.45Å; F272-K276 HydrophobicContact CE2-CD 4.45Å; F272-K276 HydrophobicContact CE2-CG 3.49Å; F272-K276 VanDerWaalsContact CE2-CG 3.49Å; F272-K276 HydrophobicContact CG-CG 4.37Å; F272-K276 HydrophobicContact CZ-CB 4.35Å; F272-K276 HydrophobicContact CZ-CG 3.85Å; F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 WeakPolarHBondContact O-CG 3.34Å; F272-K276 PolarHBondContact O-N 3.33Å; F272-L288 HydrophobicContact CE1-CD2 4.35Å; F272-L288 HydrophobicContact CZ-CD2 4.3Å; F272-T289 HydrophobicContact CD1-CG2 4.31Å; F272-T289 HydrophobicContact CE1-CG2 4Å; F272-M292 HydrophobicContact CD1-SD 3.78Å; F272-M292 HydrophobicContact CE1-CE 4.21Å; F272-M292 HydrophobicContact CE1-SD 3.7Å; F272-A338 HydrophobicContact CB-CB 3.86Å; F272-A338 HydrophobicContact CD1-CB 3.96Å; F272-A338 HydrophobicContact CD2-CB 3.86Å; F272-A338 HydrophobicContact CE2-CB 4.42Å; F272-A338 HydrophobicContact CG-CB 3.61Å; F272-L341 HydrophobicContact CE1-CD1 4.48Å; F272-L341 HydrophobicContact CE2-CB 3.9Å; F272-L341 HydrophobicContact CE2-CD1 4.21Å; F272-L341 HydrophobicContact CZ-CB 4.18Å; F272-L341 HydrophobicContact CZ-CD1 3.64Å
273	I	91	Very high	88.3	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-49.9	178.1	-74.9	169.8	0	0	0	110.8	I269 T270 S277 M292 R293 M296	I269-I273 HydrophobicContact CG2-CD1 3.64Å; I269-I273 HydrophobicContact CG2-CG1 4.23Å; I269-I273 WeakPolarHBondContact O-CB 3.34Å; I269-I273 VanDerWaalsContact O-CG1 3.29Å; I269-I273 WeakPolarHBondContact O-CG1 3.46Å; I269-I273 PolarHBondContact O-N 3.16Å; T270-I273 PolarHBondContact O-N 3.06Å; I273-S277 WeakPolarHBondContact O-CB 3.02Å; I273-S277 PolarHBondContact O-N 3.11Å; I273-S277 VanDerWaalsContact O-N 3.12Å; I273-M292 HydrophobicContact CD1-CB 3.9Å; I273-M292 HydrophobicContact CG1-CB 4.05Å; I273-R293 HydrophobicContact CD1-CG 3.98Å; I273-R293 HydrophobicContact CG1-CG 4.45Å; I273-R293 HydrophobicContact CG2-CG 3.44Å; I273-R293 VanDerWaalsContact CG2-CG 3.44Å; I273-M296 HydrophobicContact CD1-CG 3.78Å
274	E	88.3	Confident	88.5	Confident	66 Å²	66	23.3 Å²	23.3	31%	0.308	11%	0.11	S	C	.	.	H	α-helix	trans	-71.1	-38.6	-177.2	-64.9	-51.5	132.9	0	0	112.3	T270 R271 R293	T270-E274 PolarHBondContact O-N 3.39Å; R271-E274 PolarHBondContact O-N 2.94Å; E274-R293 VanDerWaalsContact CD-NH2 3.25Å; E274-R293 IonicContact OE1-CZ 2.68Å; E274-R293 IonicContact OE1-NE 3.55Å; E274-R293 IonicContact OE1-NH2 2.87Å; E274-R293 PolarHBondContact OE1-NH2 3.3Å; E274-R293 IonicContact OE2-NH2 3.1Å; E274-R293 PolarHBondContact OE2-NH2 2.82Å; E274-R293 VanDerWaalsContact OE2-NH2 3.13Å
275	E	85.6	Confident	88.6	Confident	64 Å²	64	23 Å²	23	30%	0.299	11%	0.107	S	C	.	.	H	α-helix	trans	-67.2	-54.1	178.7	-168.2	-166.6	137.3	0	0	111.6	R271 S277 S278 Y281	R271-E275 WeakPolarHBondContact O-CB 3.22Å; R271-E275 PolarHBondContact O-N 2.94Å; E275-S277 PolarHBondContact O-N 3.13Å; E275-S278 WeakPolarHBondContact O-CB 3.46Å; E275-S278 PolarHBondContact O-N 3.22Å; E275-S278 PolarHBondContact O-OG 3.37Å; E275-Y281 HydrophobicContact CG-CE2 4.16Å; E275-Y281 WeakPolarHBondContact O-CD2 3.42Å; E275-Y281 VanDerWaalsContact O-CE2 3.23Å; E275-Y281 WeakPolarHBondContact O-CE2 3.49Å; E275-Y281 PolarHBondContact OE1-OH 2.9Å
276	K	86.4	Confident	88.6	Confident	14 Å²	14	22.9 Å²	22.9	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-77.9	-5.2	-174.6	-56.4	-51.6	-174.7	-153.2	0	113.5	F272 S278 Y281 H286 T289 D342	F272-K276 HydrophobicContact CD2-CG 3.77Å; F272-K276 HydrophobicContact CE1-CG 4.44Å; F272-K276 HydrophobicContact CE2-CB 4.45Å; F272-K276 HydrophobicContact CE2-CD 4.45Å; F272-K276 HydrophobicContact CE2-CG 3.49Å; F272-K276 VanDerWaalsContact CE2-CG 3.49Å; F272-K276 HydrophobicContact CG-CG 4.37Å; F272-K276 HydrophobicContact CZ-CB 4.35Å; F272-K276 HydrophobicContact CZ-CG 3.85Å; F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 WeakPolarHBondContact O-CG 3.34Å; F272-K276 PolarHBondContact O-N 3.33Å; K276-S278 PolarHBondContact O-N 2.97Å; K276-Y281 HydrophobicContact CD-CD1 3.68Å; K276-Y281 HydrophobicContact CD-CD2 4.05Å; K276-Y281 HydrophobicContact CD-CE1 3.76Å; K276-Y281 HydrophobicContact CD-CE2 4.12Å; K276-Y281 HydrophobicContact CD-CG 3.83Å; K276-H286 PolarHBondContact O-CD2 3.17Å; K276-T289 HydrophobicContact CB-CG2 3.83Å; K276-D342 IonicContact NZ-OD1 3.11Å; K276-D342 PolarHBondContact NZ-OD1 2.76Å
277	S	88.5	Confident	88.7	Confident	29 Å²	29	23.2 Å²	23.2	20%	0.203	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.2	168.3	-175.5	0	0	0	0	113.1	I273 E275	I273-S277 WeakPolarHBondContact O-CB 3.02Å; I273-S277 PolarHBondContact O-N 3.11Å; I273-S277 VanDerWaalsContact O-N 3.12Å; E275-S277 PolarHBondContact O-N 3.13Å
278	S	86.8	Confident	88.9	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	-69.6	142.4	176.7	-48.6	0	0	0	0	111.7	Y179 E275 K276 E280 Y281 H286	Y179-S278 WeakPolarHBondContact CE1-OG 3.3Å; E275-S278 WeakPolarHBondContact O-CB 3.46Å; E275-S278 PolarHBondContact O-N 3.22Å; E275-S278 PolarHBondContact O-OG 3.37Å; K276-S278 PolarHBondContact O-N 2.97Å; S278-E280 VanDerWaalsContact CB-OE2 3.27Å; S278-E280 WeakPolarHBondContact CB-OE2 3.42Å; S278-E280 PolarHBondContact O-N 3.1Å; S278-Y281 PolarHBondContact O-N 3.09Å; S278-Y281 VanDerWaalsContact O-N 3.14Å; S278-H286 PolarHBondContact O-NE2 3.43Å
279	F	84.4	Confident	89.1	Confident	55 Å²	55	22.4 Å²	22.4	24%	0.241	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.5	-176.4	-68.6	-65.9	0	0	0	114	P172 F174 Y281 G282 Y400	P172-F279 HydrophobicContact CB-CD1 4.48Å; P172-F279 HydrophobicContact CB-CD2 4.11Å; P172-F279 HydrophobicContact CB-CE1 4.41Å; P172-F279 HydrophobicContact CB-CE2 4.03Å; P172-F279 HydrophobicContact CB-CG 4.34Å; P172-F279 HydrophobicContact CB-CZ 4.19Å; P172-F279 HydrophobicContact CG-CD1 3.77Å; P172-F279 HydrophobicContact CG-CD2 4.19Å; P172-F279 HydrophobicContact CG-CE1 3.95Å; P172-F279 HydrophobicContact CG-CE2 4.35Å; P172-F279 HydrophobicContact CG-CG 3.9Å; P172-F279 HydrophobicContact CG-CZ 4.24Å; P172-F279 WeakPolarHBondContact O-CB 3.47Å; P172-F279 VanDerWaalsContact O-CD2 3.32Å; P172-F279 WeakPolarHBondContact O-CD2 3.32Å; P172-F279 WeakPolarHBondContact O-CG 3.39Å; F174-F279 HydrophobicContact CD1-CE2 4.01Å; F174-F279 AromaticContact CD2-CD2 3.49Å; F174-F279 HydrophobicContact CD2-CD2 3.49Å; F174-F279 VanDerWaalsContact CD2-CD2 3.49Å; F174-F279 AromaticContact CD2-CE2 3.64Å; F174-F279 HydrophobicContact CD2-CE2 3.64Å; F174-F279 HydrophobicContact CD2-CG 4.39Å; F174-F279 AromaticContact CE1-CE2 3.74Å; F174-F279 HydrophobicContact CE1-CE2 3.74Å; F174-F279 HydrophobicContact CE1-CZ 4.14Å; F174-F279 AromaticContact CE2-CD2 3.41Å; F174-F279 HydrophobicContact CE2-CD2 3.41Å; F174-F279 VanDerWaalsContact CE2-CD2 3.41Å; F174-F279 HydrophobicContact CE2-CE1 4.5Å; F174-F279 AromaticContact CE2-CE2 3.35Å; F174-F279 HydrophobicContact CE2-CE2 3.35Å; F174-F279 HydrophobicContact CE2-CG 4.04Å; F174-F279 AromaticContact CE2-CZ 3.94Å; F174-F279 HydrophobicContact CE2-CZ 3.94Å; F174-F279 HydrophobicContact CG-CD2 4.14Å; F174-F279 AromaticContact CG-CE2 3.96Å; F174-F279 HydrophobicContact CG-CE2 3.96Å; F174-F279 AromaticContact CZ-CD2 3.99Å; F174-F279 HydrophobicContact CZ-CD2 3.99Å; F174-F279 HydrophobicContact CZ-CE1 4.43Å; F174-F279 AromaticContact CZ-CE2 3.4Å; F174-F279 HydrophobicContact CZ-CE2 3.4Å; F174-F279 VanDerWaalsContact CZ-CE2 3.4Å; F174-F279 AromaticContact CZ-CZ 3.66Å; F174-F279 HydrophobicContact CZ-CZ 3.66Å; F279-Y281 PolarHBondContact O-N 3.32Å; F279-G282 PolarHBondContact O-N 3.28Å; F279-Y400 HydrophobicContact CB-CE1 4.31Å; F279-Y400 WeakPolarHBondContact CD1-OH 3.34Å; F279-Y400 WeakPolarHBondContact O-CD1 3.47Å; F279-Y400 WeakPolarHBondContact O-CE1 3.34Å
280	E	83.4	Confident	89.3	Confident	6 Å²	6	25 Å²	25	3%	0.028	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-64.9	-21.8	-177.3	-63.5	86.8	170.1	0	0	114.7	R155 L158 R159 S278	R155-E280 HydrophobicContact CB-CG 4.1Å; R155-E280 HydrophobicContact CG-CB 4.31Å; R155-E280 HydrophobicContact CG-CG 4.25Å; L158-E280 HydrophobicContact CB-CB 4.07Å; L158-E280 HydrophobicContact CD1-CB 4.2Å; R159-E280 IonicContact CZ-OE1 3.42Å; R159-E280 IonicContact NE-OE1 2.84Å; R159-E280 IonicContact NH2-OE1 3.66Å; R159-E280 PolarHBondContact NH2-OE1 3.45Å; S278-E280 VanDerWaalsContact CB-OE2 3.27Å; S278-E280 WeakPolarHBondContact CB-OE2 3.42Å; S278-E280 PolarHBondContact O-N 3.1Å
281	Y	83.8	Confident	89.5	Confident	13 Å²	13	24.6 Å²	24.6	5%	0.051	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-89.5	1	-177.5	-65.6	-74.7	0	0	0	114.2	R155 L158 E275 K276 S278 F279 N285	R155-Y281 HydrophobicContact CG-CE2 4.41Å; L158-Y281 HydrophobicContact CD1-CD1 4.39Å; L158-Y281 HydrophobicContact CD1-CE1 4.34Å; E275-Y281 HydrophobicContact CG-CE2 4.16Å; E275-Y281 WeakPolarHBondContact O-CD2 3.42Å; E275-Y281 VanDerWaalsContact O-CE2 3.23Å; E275-Y281 WeakPolarHBondContact O-CE2 3.49Å; E275-Y281 PolarHBondContact OE1-OH 2.9Å; K276-Y281 HydrophobicContact CD-CD1 3.68Å; K276-Y281 HydrophobicContact CD-CD2 4.05Å; K276-Y281 HydrophobicContact CD-CE1 3.76Å; K276-Y281 HydrophobicContact CD-CE2 4.12Å; K276-Y281 HydrophobicContact CD-CG 3.83Å; S278-Y281 PolarHBondContact O-N 3.09Å; S278-Y281 VanDerWaalsContact O-N 3.14Å; F279-Y281 PolarHBondContact O-N 3.32Å; Y281-N285 WeakPolarHBondContact O-CB 3.49Å; Y281-N285 PolarHBondContact O-ND2 2.7Å
282	G	87.4	Confident	89.9	Confident	2 Å²	2	21.4 Å²	21.4	2%	0.021	12%	0.117	C	C	.	.			trans	82.2	165.2	172.8	0	0	0	0	0	115.7	F279 V284 N285 H286 E402	F279-G282 PolarHBondContact O-N 3.28Å; G282-V284 PolarHBondContact O-N 3.33Å; G282-N285 PolarHBondContact O-N 2.78Å; G282-H286 PolarHBondContact O-CD2 2.91Å; G282-H286 VanDerWaalsContact O-CD2 3.24Å; G282-H286 PolarHBondContact O-CE1 3.15Å; G282-H286 VanDerWaalsContact O-CE1 3.31Å; G282-H286 VanDerWaalsContact O-CG 3.23Å; G282-H286 PolarHBondContact O-N 2.93Å; G282-H286 PolarHBondContact O-ND1 2.91Å; G282-H286 PolarHBondContact O-NE2 2.87Å; G282-E402 VanDerWaalsContact C-OE1 3.27Å; G282-E402 VanDerWaalsContact CA-CD 3.46Å; G282-E402 WeakPolarHBondContact CA-OE1 3.33Å
283	Q	90.3	Very high	90.1	Very high	54 Å²	54	25.8 Å²	25.8	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-69	-34	-169.2	-61.8	178.5	4.2	0	0	112.9	N285 H286 A287 P382 Y400 E402	Q283-N285 VanDerWaalsContact C-N 3.34Å; Q283-N285 PolarHBondContact O-N 3.26Å; Q283-H286 WeakPolarHBondContact O-CB 3.28Å; Q283-H286 PolarHBondContact O-N 2.93Å; Q283-A287 PolarHBondContact O-N 3.34Å; Q283-P382 HydrophobicContact CB-CB 3.79Å; Q283-P382 HydrophobicContact CB-CG 4.37Å; Q283-Y400 HydrophobicContact CG-CD2 3.7Å; Q283-Y400 HydrophobicContact CG-CE2 3.76Å; Q283-E402 WeakPolarHBondContact CB-OE2 3.47Å; Q283-E402 VanDerWaalsContact N-CD 3.29Å; Q283-E402 PolarHBondContact N-OE1 3.07Å; Q283-E402 PolarHBondContact N-OE2 3.42Å
284	V	93.3	Very high	90.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-43.7	179	173	0	0	0	0	110.5	G282 H286 A287 L288 T351 L352 A379 Y383 E402	G282-V284 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact C-N 3.34Å; V284-A287 PolarHBondContact O-N 3.27Å; V284-L288 PolarHBondContact O-N 3.08Å; V284-T351 HydrophobicContact CG1-CG2 4.05Å; V284-L352 HydrophobicContact CG1-CD2 3.79Å; V284-L352 HydrophobicContact CG1-CG 3.86Å; V284-A379 HydrophobicContact CG1-CB 4.4Å; V284-Y383 HydrophobicContact CG2-CD2 4.19Å; V284-E402 PolarHBondContact N-OE1 3.12Å
285	N	92.1	Very high	90.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-33.4	177	-76.1	-32.4	0	0	0	111.5	Y281 G282 Q283 L288 T289 C346 T351	Y281-N285 WeakPolarHBondContact O-CB 3.49Å; Y281-N285 PolarHBondContact O-ND2 2.7Å; G282-N285 PolarHBondContact O-N 2.78Å; Q283-N285 VanDerWaalsContact C-N 3.34Å; Q283-N285 PolarHBondContact O-N 3.26Å; N285-L288 PolarHBondContact O-N 3.24Å; N285-T289 WeakPolarHBondContact O-CG2 3.47Å; N285-T289 PolarHBondContact O-N 2.96Å; N285-T289 PolarHBondContact O-OG1 3.4Å; N285-C346 PolarHBondContact ND2-O 3.18Å; N285-C346 VanDerWaalsContact ND2-O 3.16Å; N285-T351 WeakPolarHBondContact OD1-CG2 3.38Å; N285-T351 PolarHBondContact OD1-OG1 3.42Å
286	H	92.2	Very high	90.7	Very high	40 Å²	40	24.8 Å²	24.8	19%	0.185	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-45.8	172.4	-57.5	156	0	0	0	112.2	K276 S278 G282 Q283 V284 L288 T289 A290	K276-H286 PolarHBondContact O-CD2 3.17Å; S278-H286 PolarHBondContact O-NE2 3.43Å; G282-H286 PolarHBondContact O-CD2 2.91Å; G282-H286 VanDerWaalsContact O-CD2 3.24Å; G282-H286 PolarHBondContact O-CE1 3.15Å; G282-H286 VanDerWaalsContact O-CE1 3.31Å; G282-H286 VanDerWaalsContact O-CG 3.23Å; G282-H286 PolarHBondContact O-N 2.93Å; G282-H286 PolarHBondContact O-ND1 2.91Å; G282-H286 PolarHBondContact O-NE2 2.87Å; Q283-H286 WeakPolarHBondContact O-CB 3.28Å; Q283-H286 PolarHBondContact O-N 2.93Å; V284-H286 VanDerWaalsContact C-N 3.34Å; H286-L288 VanDerWaalsContact C-N 3.32Å; H286-L288 PolarHBondContact O-N 3.37Å; H286-T289 WeakPolarHBondContact CA-OG1 3.47Å; H286-T289 PolarHBondContact O-N 3.17Å; H286-T289 PolarHBondContact O-OG1 3.46Å; H286-A290 WeakPolarHBondContact O-CB 3.06Å; H286-A290 PolarHBondContact O-N 3.14Å
287	A	93.7	Very high	91	Very high	22 Å²	22	30.8 Å²	30.8	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-39	177.6	0	0	0	0	0	111.8	Q283 V284 A290 A291 P382	Q283-A287 PolarHBondContact O-N 3.34Å; V284-A287 PolarHBondContact O-N 3.27Å; A287-A290 PolarHBondContact O-N 3.19Å; A287-A291 PolarHBondContact O-N 3.44Å; A287-P382 HydrophobicContact CB-CG 3.66Å
288	L	94.1	Very high	91.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-47.9	174.9	-179.3	63.1	0	0	0	112.1	F272 V284 N285 H286 A290 A291 M292 L341 T351 L355 L375 A379	F272-L288 HydrophobicContact CE1-CD2 4.35Å; F272-L288 HydrophobicContact CZ-CD2 4.3Å; V284-L288 PolarHBondContact O-N 3.08Å; N285-L288 PolarHBondContact O-N 3.24Å; H286-L288 VanDerWaalsContact C-N 3.32Å; H286-L288 PolarHBondContact O-N 3.37Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.07Å; L288-A291 PolarHBondContact O-N 2.73Å; L288-M292 HydrophobicContact CD1-CE 4.05Å; L288-M292 HydrophobicContact CD2-CE 4.25Å; L288-M292 HydrophobicContact CG-CE 4.1Å; L288-M292 HydrophobicContact CG-SD 4.45Å; L288-M292 WeakPolarHBondContact O-CG 3.49Å; L288-M292 PolarHBondContact O-N 3.48Å; L288-L341 HydrophobicContact CD2-CD1 3.35Å; L288-T351 HydrophobicContact CD2-CG2 3.96Å; L288-L355 HydrophobicContact CD1-CD1 3.93Å; L288-L355 HydrophobicContact CD1-CD2 4.25Å; L288-L355 HydrophobicContact CD2-CD1 4.33Å; L288-L375 HydrophobicContact CD1-CB 4.16Å; L288-L375 HydrophobicContact CD1-CD2 4.05Å; L288-A379 HydrophobicContact CB-CB 4.08Å; L288-A379 HydrophobicContact CD1-CB 4.3Å
289	T	93.4	Very high	91.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-36.2	179	51	0	0	0	0	111.8	F272 K276 N285 H286 M292 R293	F272-T289 HydrophobicContact CD1-CG2 4.31Å; F272-T289 HydrophobicContact CE1-CG2 4Å; K276-T289 HydrophobicContact CB-CG2 3.83Å; N285-T289 WeakPolarHBondContact O-CG2 3.47Å; N285-T289 PolarHBondContact O-N 2.96Å; N285-T289 PolarHBondContact O-OG1 3.4Å; H286-T289 WeakPolarHBondContact CA-OG1 3.47Å; H286-T289 PolarHBondContact O-N 3.17Å; H286-T289 PolarHBondContact O-OG1 3.46Å; T289-M292 PolarHBondContact O-N 2.7Å; T289-R293 WeakPolarHBondContact O-CG 3.13Å; T289-R293 PolarHBondContact O-N 3.16Å
290	A	94	Very high	91.8	Very high	54 Å²	54	35.8 Å²	35.8	45%	0.446	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-41	172.5	0	0	0	0	0	112.8	H286 A287 L288 R293 T294	H286-A290 WeakPolarHBondContact O-CB 3.06Å; H286-A290 PolarHBondContact O-N 3.14Å; A287-A290 PolarHBondContact O-N 3.19Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.07Å; A290-R293 PolarHBondContact O-N 2.54Å; A290-T294 PolarHBondContact O-N 2.93Å; A290-T294 PolarHBondContact O-OG1 2.88Å
291	A	94.8	Very high	92.3	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-43.9	174.7	0	0	0	0	0	111.7	A287 L288 R293 T294 L295 Y374 L375 A378	A287-A291 PolarHBondContact O-N 3.44Å; L288-A291 PolarHBondContact O-N 2.73Å; A291-R293 VanDerWaalsContact C-N 3.34Å; A291-R293 PolarHBondContact O-N 2.57Å; A291-T294 WeakPolarHBondContact O-CB 3.41Å; A291-T294 PolarHBondContact O-N 2.64Å; A291-T294 VanDerWaalsContact O-N 3.16Å; A291-L295 PolarHBondContact O-N 2.71Å; A291-Y374 HydrophobicContact CB-CE1 4.23Å; A291-L375 HydrophobicContact CB-CD2 4.05Å; A291-A378 HydrophobicContact CB-CB 3.65Å
292	M	94.5	Very high	92.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174.9	-69.4	-174.9	169.8	0	0	112	F272 I273 L288 T289 T294 L295 M296 L334 I337 L375	F272-M292 HydrophobicContact CD1-SD 3.78Å; F272-M292 HydrophobicContact CE1-CE 4.21Å; F272-M292 HydrophobicContact CE1-SD 3.7Å; I273-M292 HydrophobicContact CD1-CB 3.9Å; I273-M292 HydrophobicContact CG1-CB 4.05Å; L288-M292 HydrophobicContact CD1-CE 4.05Å; L288-M292 HydrophobicContact CD2-CE 4.25Å; L288-M292 HydrophobicContact CG-CE 4.1Å; L288-M292 HydrophobicContact CG-SD 4.45Å; L288-M292 WeakPolarHBondContact O-CG 3.49Å; L288-M292 PolarHBondContact O-N 3.48Å; T289-M292 PolarHBondContact O-N 2.7Å; M292-T294 PolarHBondContact O-N 3.47Å; M292-L295 PolarHBondContact O-N 3.41Å; M292-L295 VanDerWaalsContact O-N 3.16Å; M292-M296 VanDerWaalsContact O-CG 3.3Å; M292-M296 WeakPolarHBondContact O-CG 3.47Å; M292-M296 PolarHBondContact O-N 3.4Å; M292-L334 HydrophobicContact CE-CD2 4.27Å; M292-L334 HydrophobicContact CG-CD2 4.2Å; M292-I337 HydrophobicContact CE-CB 4.33Å; M292-I337 HydrophobicContact CE-CG2 3.81Å; M292-L375 HydrophobicContact CG-CD2 3.95Å
293	R	93.7	Very high	93	Very high	104 Å²	104	40.6 Å²	40.6	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-57.8	-35.7	174.4	-80.8	-178.7	173.8	171.7	4.1	112.9	I273 E274 T289 A290 A291 M296 K297	I273-R293 HydrophobicContact CD1-CG 3.98Å; I273-R293 HydrophobicContact CG1-CG 4.45Å; I273-R293 HydrophobicContact CG2-CG 3.44Å; I273-R293 VanDerWaalsContact CG2-CG 3.44Å; E274-R293 VanDerWaalsContact CD-NH2 3.25Å; E274-R293 IonicContact OE1-CZ 2.68Å; E274-R293 IonicContact OE1-NE 3.55Å; E274-R293 IonicContact OE1-NH2 2.87Å; E274-R293 PolarHBondContact OE1-NH2 3.3Å; E274-R293 IonicContact OE2-NH2 3.1Å; E274-R293 PolarHBondContact OE2-NH2 2.82Å; E274-R293 VanDerWaalsContact OE2-NH2 3.13Å; T289-R293 WeakPolarHBondContact O-CG 3.13Å; T289-R293 PolarHBondContact O-N 3.16Å; A290-R293 PolarHBondContact O-N 2.54Å; A291-R293 VanDerWaalsContact C-N 3.34Å; A291-R293 PolarHBondContact O-N 2.57Å; R293-M296 PolarHBondContact O-N 2.81Å; R293-K297 PolarHBondContact O-N 3.37Å
294	T	94.1	Very high	93.1	Very high	71 Å²	71	42.4 Å²	42.4	44%	0.436	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-42.7	178.1	-57.6	0	0	0	0	111.1	A290 A291 M292 K297 E298	A290-T294 PolarHBondContact O-N 2.93Å; A290-T294 PolarHBondContact O-OG1 2.88Å; A291-T294 WeakPolarHBondContact O-CB 3.41Å; A291-T294 PolarHBondContact O-N 2.64Å; A291-T294 VanDerWaalsContact O-N 3.16Å; M292-T294 PolarHBondContact O-N 3.47Å; T294-K297 WeakPolarHBondContact O-CB 3.4Å; T294-K297 PolarHBondContact O-N 2.71Å; T294-E298 PolarHBondContact O-N 3.33Å
295	L	92.8	Very high	93	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-38.5	176.3	-61.3	167	0	0	0	112.1	A291 M292 K297 E298 Y299 L334 L371 Y374 L375	A291-L295 PolarHBondContact O-N 2.71Å; M292-L295 PolarHBondContact O-N 3.41Å; M292-L295 VanDerWaalsContact O-N 3.16Å; L295-K297 PolarHBondContact O-N 3.28Å; L295-E298 WeakPolarHBondContact O-CB 3.23Å; L295-E298 PolarHBondContact O-N 3.28Å; L295-E298 VanDerWaalsContact O-N 3.15Å; L295-Y299 PolarHBondContact O-N 3.35Å; L295-L334 HydrophobicContact CB-CD1 4.18Å; L295-L334 HydrophobicContact CD1-CD1 4.09Å; L295-L334 HydrophobicContact CD1-CD2 3.91Å; L295-L371 HydrophobicContact CD1-CD1 3.52Å; L295-L371 HydrophobicContact CD2-CD1 4.02Å; L295-L371 HydrophobicContact CG-CD1 4.42Å; L295-Y374 HydrophobicContact CD1-CD1 4.42Å; L295-Y374 HydrophobicContact CD1-CE1 4.37Å; L295-Y374 HydrophobicContact CD2-CE1 4.38Å; L295-Y374 HydrophobicContact CG-CE1 4.3Å; L295-L375 HydrophobicContact CD1-CD2 3.99Å
296	M	91.3	Very high	93	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.059	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-33.8	174.9	-69.3	-61.7	-69.2	0	0	112.2	Y266 I269 I273 M292 R293 E298 Y299 L300 M331	Y266-M296 HydrophobicContact CD2-CE 3.15Å; Y266-M296 HydrophobicContact CE2-CE 3.29Å; Y266-M296 HydrophobicContact CG-CE 4.1Å; I269-M296 HydrophobicContact CB-CE 4.45Å; I269-M296 HydrophobicContact CB-SD 4.05Å; I269-M296 HydrophobicContact CD1-SD 4.11Å; I269-M296 HydrophobicContact CG2-CE 4.28Å; I269-M296 HydrophobicContact CG2-CG 3.85Å; I269-M296 HydrophobicContact CG2-SD 3.52Å; I269-M296 VanDerWaalsContact CG2-SD 3.52Å; I273-M296 HydrophobicContact CD1-CG 3.78Å; M292-M296 VanDerWaalsContact O-CG 3.3Å; M292-M296 WeakPolarHBondContact O-CG 3.47Å; M292-M296 PolarHBondContact O-N 3.4Å; R293-M296 PolarHBondContact O-N 2.81Å; M296-E298 VanDerWaalsContact C-N 3.35Å; M296-Y299 WeakPolarHBondContact O-CB 3.37Å; M296-Y299 PolarHBondContact O-N 2.99Å; M296-L300 WeakPolarHBondContact O-CG 3.23Å; M296-L300 PolarHBondContact O-N 3.25Å; M296-M331 HydrophobicContact CE-CE 3.87Å; M296-M331 HydrophobicContact SD-CE 3.61Å; M296-M331 HydrophobicContact SD-SD 3.77Å
297	K	92.7	Very high	93	Very high	139 Å²	139	48.1 Å²	48.1	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-63.9	-39.3	175.3	-173	-178.8	176.3	-176.9	0	112	R293 T294 L295 Y299 L300 I301	R293-K297 PolarHBondContact O-N 3.37Å; T294-K297 WeakPolarHBondContact O-CB 3.4Å; T294-K297 PolarHBondContact O-N 2.71Å; L295-K297 PolarHBondContact O-N 3.28Å; K297-Y299 VanDerWaalsContact C-N 3.35Å; K297-L300 PolarHBondContact O-N 3.28Å; K297-I301 HydrophobicContact CG-CD1 4.26Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.42Å; K297-I301 PolarHBondContact O-N 3.16Å
298	E	91.7	Very high	92.9	Very high	127 Å²	127	52.2 Å²	52.2	59%	0.593	27%	0.265	S	S	*	.	H	α-helix	trans	-64.1	-41.5	176.3	-63.5	-176.4	166.7	0	0	111.5	T294 L295 M296 I301 L302	T294-E298 PolarHBondContact O-N 3.33Å; L295-E298 WeakPolarHBondContact O-CB 3.23Å; L295-E298 PolarHBondContact O-N 3.28Å; L295-E298 VanDerWaalsContact O-N 3.15Å; M296-E298 VanDerWaalsContact C-N 3.35Å; E298-I301 PolarHBondContact O-N 3.19Å; E298-L302 PolarHBondContact O-N 2.75Å
299	Y	92.6	Very high	92.8	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-46.8	173.9	169.3	-100.2	0	0	0	112.1	L221 V262 Y266 L295 M296 K297 I301 L302 V303 M331	L221-Y299 WeakPolarHBondContact CA-OH 3.4Å; L221-Y299 WeakPolarHBondContact CB-OH 3.33Å; L221-Y299 WeakPolarHBondContact CD2-OH 3.19Å; L221-Y299 WeakPolarHBondContact O-CE1 3.44Å; L221-Y299 PolarHBondContact O-OH 2.99Å; V262-Y299 HydrophobicContact CG2-CE2 3.92Å; Y266-Y299 AromaticContact CD2-CD1 3.81Å; Y266-Y299 HydrophobicContact CD2-CD1 3.81Å; Y266-Y299 AromaticContact CD2-CE1 3.4Å; Y266-Y299 HydrophobicContact CD2-CE1 3.4Å; Y266-Y299 HydrophobicContact CE2-CD1 4.16Å; Y266-Y299 AromaticContact CE2-CE1 3.93Å; Y266-Y299 HydrophobicContact CE2-CE1 3.93Å; Y266-Y299 HydrophobicContact CG-CE1 4.2Å; L295-Y299 PolarHBondContact O-N 3.35Å; M296-Y299 WeakPolarHBondContact O-CB 3.37Å; M296-Y299 PolarHBondContact O-N 2.99Å; K297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 3.5Å; Y299-L302 WeakPolarHBondContact O-CB 3.42Å; Y299-L302 PolarHBondContact O-N 3.22Å; Y299-L302 VanDerWaalsContact O-N 3.16Å; Y299-V303 HydrophobicContact CE1-CG2 4.09Å; Y299-V303 HydrophobicContact CE2-CG2 4.1Å; Y299-V303 WeakPolarHBondContact O-CG2 3.36Å; Y299-V303 PolarHBondContact O-N 3.47Å; Y299-V303 VanDerWaalsContact O-N 3.08Å; Y299-M331 HydrophobicContact CD1-CE 3.65Å; Y299-M331 HydrophobicContact CD2-CE 3.85Å; Y299-M331 HydrophobicContact CD2-CG 4.4Å; Y299-M331 HydrophobicContact CE1-CE 3.91Å; Y299-M331 HydrophobicContact CE2-CE 4.09Å; Y299-M331 HydrophobicContact CG-CE 3.61Å; Y299-M331 HydrophobicContact CG-SD 4.37Å
300	L	92.1	Very high	92.6	Very high	60 Å²	60	55.8 Å²	55.8	31%	0.314	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-38.3	178	-69.4	173.8	0	0	0	112.1	V222 Y266 M296 K297 L302 V303 T304	V222-L300 HydrophobicContact CG1-CD2 4.02Å; Y266-L300 HydrophobicContact CE2-CD2 4.11Å; M296-L300 WeakPolarHBondContact O-CG 3.23Å; M296-L300 PolarHBondContact O-N 3.25Å; K297-L300 PolarHBondContact O-N 3.28Å; L300-L302 VanDerWaalsContact C-N 3.34Å; L300-L302 PolarHBondContact O-N 3.38Å; L300-V303 PolarHBondContact O-N 2.84Å; L300-T304 WeakPolarHBondContact O-CG2 3.42Å; L300-T304 PolarHBondContact O-N 3.32Å
301	I	94.4	Very high	92.3	Very high	78 Å²	78	62.4 Å²	62.4	40%	0.4	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-43.7	175	-67.3	163.5	0	0	0	110.5	K297 E298 Y299 V303 T304 Q305	K297-I301 HydrophobicContact CG-CD1 4.26Å; K297-I301 VanDerWaalsContact O-CG1 3.29Å; K297-I301 WeakPolarHBondContact O-CG1 3.42Å; K297-I301 PolarHBondContact O-N 3.16Å; E298-I301 PolarHBondContact O-N 3.19Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 3.5Å; I301-V303 VanDerWaalsContact C-N 3.33Å; I301-V303 PolarHBondContact O-N 3.42Å; I301-T304 WeakPolarHBondContact CA-OG1 3.49Å; I301-T304 PolarHBondContact O-N 2.95Å; I301-T304 PolarHBondContact O-OG1 3.45Å; I301-Q305 WeakPolarHBondContact O-CG 3.1Å; I301-Q305 PolarHBondContact O-N 3.25Å
302	L	93.2	Very high	92.2	Very high	37 Å²	37	67.1 Å²	67.1	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-45.3	176	178.2	67.2	0	0	0	111.6	E298 Y299 L300 T304 Q305 L306 T327	E298-L302 PolarHBondContact O-N 2.75Å; Y299-L302 WeakPolarHBondContact O-CB 3.42Å; Y299-L302 PolarHBondContact O-N 3.22Å; Y299-L302 VanDerWaalsContact O-N 3.16Å; L300-L302 VanDerWaalsContact C-N 3.34Å; L300-L302 PolarHBondContact O-N 3.38Å; L302-T304 VanDerWaalsContact C-N 3.32Å; L302-T304 PolarHBondContact O-N 3.37Å; L302-Q305 WeakPolarHBondContact O-CB 3.45Å; L302-Q305 PolarHBondContact O-N 3.42Å; L302-Q305 VanDerWaalsContact O-N 3.14Å; L302-L306 HydrophobicContact CD1-CD1 4.48Å; L302-L306 HydrophobicContact CG-CD1 4.08Å; L302-L306 WeakPolarHBondContact O-CG 3.48Å; L302-L306 PolarHBondContact O-N 3.01Å; L302-T327 HydrophobicContact CD2-CG2 3.41Å; L302-T327 VanDerWaalsContact CD2-CG2 3.41Å
303	V	92.5	Very high	91.8	Very high	7 Å²	7	69.6 Å²	69.6	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-40.3	178.9	-178.4	0	0	0	0	111.1	L218 L221 V222 Y299 L300 I301 Q305 L306 E307	L218-V303 HydrophobicContact CD2-CG1 4.05Å; L221-V303 HydrophobicContact CB-CG1 4.35Å; L221-V303 HydrophobicContact CB-CG2 4.21Å; V222-V303 HydrophobicContact CG2-CB 4.25Å; V222-V303 HydrophobicContact CG2-CG1 3.55Å; Y299-V303 HydrophobicContact CE1-CG2 4.09Å; Y299-V303 HydrophobicContact CE2-CG2 4.1Å; Y299-V303 WeakPolarHBondContact O-CG2 3.36Å; Y299-V303 PolarHBondContact O-N 3.47Å; Y299-V303 VanDerWaalsContact O-N 3.08Å; L300-V303 PolarHBondContact O-N 2.84Å; I301-V303 VanDerWaalsContact C-N 3.33Å; I301-V303 PolarHBondContact O-N 3.42Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3Å; V303-L306 PolarHBondContact O-N 3.2Å; V303-E307 PolarHBondContact O-N 3.44Å
304	T	91.7	Very high	91.6	Very high	92 Å²	92	69.2 Å²	69.2	56%	0.564	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-33.4	175.1	62.5	0	0	0	0	113.4	L300 I301 L302 H308	L300-T304 WeakPolarHBondContact O-CG2 3.42Å; L300-T304 PolarHBondContact O-N 3.32Å; I301-T304 WeakPolarHBondContact CA-OG1 3.49Å; I301-T304 PolarHBondContact O-N 2.95Å; I301-T304 PolarHBondContact O-OG1 3.45Å; L302-T304 VanDerWaalsContact C-N 3.32Å; L302-T304 PolarHBondContact O-N 3.37Å; T304-H308 PolarHBondContact O-N 2.94Å
305	Q	92.3	Very high	91.5	Very high	111 Å²	111	66.5 Å²	66.5	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-69.1	-41.2	174.2	-69.3	173.7	-5.5	0	0	111	I301 L302 V303 H308 L309	I301-Q305 WeakPolarHBondContact O-CG 3.1Å; I301-Q305 PolarHBondContact O-N 3.25Å; L302-Q305 WeakPolarHBondContact O-CB 3.45Å; L302-Q305 PolarHBondContact O-N 3.42Å; L302-Q305 VanDerWaalsContact O-N 3.14Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3Å; Q305-H308 WeakPolarHBondContact O-CB 3.35Å; Q305-H308 PolarHBondContact O-N 2.91Å; Q305-L309 WeakPolarHBondContact O-CD1 3.18Å; Q305-L309 PolarHBondContact O-N 2.92Å
306	L	91.7	Very high	91.3	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-40.9	176.2	-69.7	166.3	0	0	0	112.1	L218 L302 V303 H308 L309 Q310 L315 L320 Y323 I324	L218-L306 HydrophobicContact CD2-CB 3.85Å; L302-L306 HydrophobicContact CD1-CD1 4.48Å; L302-L306 HydrophobicContact CG-CD1 4.08Å; L302-L306 WeakPolarHBondContact O-CG 3.48Å; L302-L306 PolarHBondContact O-N 3.01Å; V303-L306 PolarHBondContact O-N 3.2Å; L306-H308 VanDerWaalsContact C-N 3.28Å; L306-H308 PolarHBondContact O-N 3.2Å; L306-L309 WeakPolarHBondContact O-CB 3.4Å; L306-L309 PolarHBondContact O-N 3.16Å; L306-L309 VanDerWaalsContact O-N 3.09Å; L306-Q310 PolarHBondContact O-N 3.4Å; L306-L315 HydrophobicContact CD2-CD1 4.13Å; L306-L320 HydrophobicContact CD1-CD1 3.69Å; L306-L320 HydrophobicContact CD2-CD1 4.22Å; L306-L320 HydrophobicContact CG-CD1 4.39Å; L306-Y323 HydrophobicContact CD2-CD2 3.66Å; L306-Y323 HydrophobicContact CD2-CG 4.17Å; L306-I324 HydrophobicContact CD1-CG2 4.15Å
307	E	91.9	Very high	91.2	Very high	48 Å²	48	66.2 Å²	66.2	22%	0.224	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-39.4	172.4	169.2	59.3	-165	0	0	111.9	L218 V303 L309 Q310 R311	L218-E307 HydrophobicContact CD1-CB 4.45Å; V303-E307 PolarHBondContact O-N 3.44Å; E307-L309 VanDerWaalsContact C-N 3.35Å; E307-L309 PolarHBondContact O-N 3.38Å; E307-Q310 WeakPolarHBondContact O-CB 3.47Å; E307-Q310 PolarHBondContact O-N 2.96Å; E307-R311 WeakPolarHBondContact O-CG 3.14Å; E307-R311 PolarHBondContact O-N 3.49Å; E307-R311 IonicContact OE1-CZ 3.89Å; E307-R311 IonicContact OE1-NE 2.84Å; E307-R311 PolarHBondContact OE1-NE 3.39Å; E307-R311 IonicContact OE1-NH2 3.83Å; E307-R311 PolarHBondContact OE1-NH2 3.08Å; E307-R311 VanDerWaalsContact OE1-NH2 3.1Å
308	H	92.2	Very high	91	Very high	108 Å²	108	64.7 Å²	64.7	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40	174.3	-176.1	70.4	0	0	0	112.5	T304 Q305 L306 Q310 R311 Q312	T304-H308 PolarHBondContact O-N 2.94Å; Q305-H308 WeakPolarHBondContact O-CB 3.35Å; Q305-H308 PolarHBondContact O-N 2.91Å; L306-H308 VanDerWaalsContact C-N 3.28Å; L306-H308 PolarHBondContact O-N 3.2Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-R311 PolarHBondContact O-N 2.94Å; H308-Q312 PolarHBondContact CD2-NE2 3.44Å; H308-Q312 PolarHBondContact NE2-NE2 2.89Å; H308-Q312 WeakPolarHBondContact O-CG 3.45Å; H308-Q312 PolarHBondContact O-N 2.87Å
309	L	90.8	Very high	91	Very high	50 Å²	50	63 Å²	63	26%	0.262	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-34.6	174.7	-83.7	82	0	0	0	112.3	Q305 L306 E307 Q312 G313 L314 L315 Y323	Q305-L309 WeakPolarHBondContact O-CD1 3.18Å; Q305-L309 PolarHBondContact O-N 2.92Å; L306-L309 WeakPolarHBondContact O-CB 3.4Å; L306-L309 PolarHBondContact O-N 3.16Å; L306-L309 VanDerWaalsContact O-N 3.09Å; E307-L309 VanDerWaalsContact C-N 3.35Å; E307-L309 PolarHBondContact O-N 3.38Å; L309-Q312 PolarHBondContact O-N 3.16Å; L309-G313 PolarHBondContact O-N 3.35Å; L309-L314 PolarHBondContact O-N 2.8Å; L309-L315 HydrophobicContact CB-CB 4.22Å; L309-Y323 HydrophobicContact CD2-CE2 4.26Å
310	Q	88.8	Confident	90.9	Very high	27 Å²	27	62.8 Å²	62.8	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-44	176	-177.7	63.8	-4.8	0	0	111.3	Q211 V214 L218 L306 E307 H308 Q312 G313 L315	Q211-Q310 PolarHBondContact O-NE2 3.44Å; Q211-Q310 VanDerWaalsContact O-NE2 3.15Å; V214-Q310 VanDerWaalsContact CG1-CD 3.45Å; V214-Q310 HydrophobicContact CG1-CG 4.31Å; V214-Q310 VanDerWaalsContact CG1-OE1 3.3Å; L218-Q310 HydrophobicContact CD1-CB 3.93Å; L218-Q310 HydrophobicContact CD1-CG 4.13Å; L306-Q310 PolarHBondContact O-N 3.4Å; E307-Q310 WeakPolarHBondContact O-CB 3.47Å; E307-Q310 PolarHBondContact O-N 2.96Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; Q310-Q312 PolarHBondContact O-N 3.48Å; Q310-G313 WeakPolarHBondContact O-CA 3.3Å; Q310-G313 PolarHBondContact O-N 2.83Å; Q310-L315 HydrophobicContact CB-CB 4.43Å; Q310-L315 HydrophobicContact CB-CD2 4Å
311	R	89.6	Confident	90.9	Very high	193 Å²	193	63.1 Å²	63.1	73%	0.728	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-27.1	176.3	-70	-178.8	-172.9	-165.9	0.2	113.8	E307 H308 G313	E307-R311 WeakPolarHBondContact O-CG 3.14Å; E307-R311 PolarHBondContact O-N 3.49Å; E307-R311 IonicContact OE1-CZ 3.89Å; E307-R311 IonicContact OE1-NE 2.84Å; E307-R311 PolarHBondContact OE1-NE 3.39Å; E307-R311 IonicContact OE1-NH2 3.83Å; E307-R311 PolarHBondContact OE1-NH2 3.08Å; E307-R311 VanDerWaalsContact OE1-NH2 3.1Å; H308-R311 PolarHBondContact O-N 2.94Å; R311-G313 VanDerWaalsContact C-N 3.28Å
312	Q	90.7	Very high	90.8	Very high	104 Å²	104	66.2 Å²	66.2	49%	0.486	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.7	174.6	-64	178.7	4.7	0	0	113	H308 L309 Q310 L314	H308-Q312 PolarHBondContact CD2-NE2 3.44Å; H308-Q312 PolarHBondContact NE2-NE2 2.89Å; H308-Q312 WeakPolarHBondContact O-CG 3.45Å; H308-Q312 PolarHBondContact O-N 2.87Å; L309-Q312 PolarHBondContact O-N 3.16Å; Q310-Q312 PolarHBondContact O-N 3.48Å; Q312-L314 HydrophobicContact CB-CD1 4.01Å; Q312-L314 HydrophobicContact CB-CG 4.28Å; Q312-L314 PolarHBondContact O-N 3.38Å
313	G	86.6	Confident	90.7	Very high	52 Å²	52	69.3 Å²	69.3	54%	0.536	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	17.4	-176.4	0	0	0	0	0	114.1	L309 Q310 R311	L309-G313 PolarHBondContact O-N 3.35Å; Q310-G313 WeakPolarHBondContact O-CA 3.3Å; Q310-G313 PolarHBondContact O-N 2.83Å; R311-G313 VanDerWaalsContact C-N 3.28Å
314	L	90.4	Very high	90.6	Very high	97 Å²	97	69.2 Å²	69.2	51%	0.508	33%	0.334	S	S	.	.			trans	-99.5	-6	-175	-72.8	168.1	0	0	0	113.7	L309 Q312 K319	L309-L314 PolarHBondContact O-N 2.8Å; Q312-L314 HydrophobicContact CB-CD1 4.01Å; Q312-L314 HydrophobicContact CB-CG 4.28Å; Q312-L314 PolarHBondContact O-N 3.38Å; L314-K319 WeakPolarHBondContact O-CD 3.34Å; L314-K319 PolarHBondContact O-NZ 2.89Å
315	L	90.8	Very high	90.5	Very high	14 Å²	14	68.4 Å²	68.4	7%	0.073	32%	0.324	C	S	.	.			trans	-94	123.3	-179.6	-173.6	68.5	0	0	0	110.1	V214 L218 L306 L309 Q310 K319 L320 Y323	V214-L315 HydrophobicContact CG1-CD2 3.63Å; V214-L315 HydrophobicContact CG1-CG 4.17Å; L218-L315 HydrophobicContact CD1-CD2 4.33Å; L306-L315 HydrophobicContact CD2-CD1 4.13Å; L309-L315 HydrophobicContact CB-CB 4.22Å; Q310-L315 HydrophobicContact CB-CB 4.43Å; Q310-L315 HydrophobicContact CB-CD2 4Å; L315-K319 HydrophobicContact CD1-CB 4.16Å; L315-L320 HydrophobicContact CD1-CB 4.17Å; L315-L320 HydrophobicContact CG-CB 4.48Å; L315-Y323 HydrophobicContact CD1-CD2 4.4Å
316	S	90.2	Very high	90.4	Very high	33 Å²	33	67.1 Å²	67.1	23%	0.231	33%	0.325	C	S	.	.			trans	-107.9	162.7	168	68.7	0	0	0	0	109.5	E210 Q318 K319 L320	E210-S316 WeakPolarHBondContact OE1-CA 3.37Å; E210-S316 VanDerWaalsContact OE1-CB 3.3Å; E210-S316 WeakPolarHBondContact OE1-CB 3.23Å; S316-Q318 VanDerWaalsContact C-N 3.29Å; S316-Q318 PolarHBondContact O-N 3.37Å; S316-K319 WeakPolarHBondContact O-CB 3.45Å; S316-K319 PolarHBondContact O-N 3.21Å; S316-K319 WeakPolarHBondContact OG-CG 3.46Å; S316-K319 PolarHBondContact OG-N 3.42Å; S316-L320 PolarHBondContact O-N 3.18Å
317	L	87.8	Confident	90.2	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-37.8	-179.7	-170.2	63.9	0	0	0	111.9	E210 V214 L217 I252 L255 I259 L320 W321	E210-L317 HydrophobicContact CG-CB 4.02Å; E210-L317 PolarHBondContact OE1-N 2.75Å; V214-L317 HydrophobicContact CG2-CB 4.11Å; V214-L317 HydrophobicContact CG2-CD1 3.91Å; L217-L317 HydrophobicContact CD2-CD1 4.05Å; I252-L317 HydrophobicContact CG2-CD2 3.92Å; L255-L317 HydrophobicContact CB-CD2 3.63Å; L255-L317 HydrophobicContact CB-CG 4.21Å; L255-L317 HydrophobicContact CD1-CD2 4.31Å; L255-L317 HydrophobicContact CG-CD2 4.44Å; I259-L317 HydrophobicContact CD1-CD1 3.78Å; I259-L317 HydrophobicContact CD1-CG 4.44Å; L317-L320 HydrophobicContact CD1-CD2 4.38Å; L317-L320 WeakPolarHBondContact O-CB 3.43Å; L317-L320 PolarHBondContact O-N 2.97Å; L317-W321 PolarHBondContact O-N 3.19Å
318	Q	89.8	Confident	90.1	Very high	108 Å²	108	66.9 Å²	66.9	51%	0.505	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-39.2	172.9	-84.9	78.2	0.2	0	0	112.9	S316 L320 W321 F322	S316-Q318 VanDerWaalsContact C-N 3.29Å; S316-Q318 PolarHBondContact O-N 3.37Å; Q318-L320 VanDerWaalsContact C-N 3.34Å; Q318-W321 PolarHBondContact O-N 3.27Å; Q318-F322 PolarHBondContact O-N 3.06Å
319	K	90.5	Very high	90.1	Very high	92 Å²	92	67.5 Å²	67.5	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-41.4	176.1	-76.3	173.1	175.6	173	0	110.7	L314 L315 S316 F322 Y323	L314-K319 WeakPolarHBondContact O-CD 3.34Å; L314-K319 PolarHBondContact O-NZ 2.89Å; L315-K319 HydrophobicContact CD1-CB 4.16Å; S316-K319 WeakPolarHBondContact O-CB 3.45Å; S316-K319 PolarHBondContact O-N 3.21Å; S316-K319 WeakPolarHBondContact OG-CG 3.46Å; S316-K319 PolarHBondContact OG-N 3.42Å; K319-F322 PolarHBondContact O-N 3.07Å; K319-Y323 HydrophobicContact CB-CD2 4.48Å; K319-Y323 HydrophobicContact CB-CE2 4.16Å; K319-Y323 WeakPolarHBondContact O-CD2 3.42Å; K319-Y323 PolarHBondContact O-N 2.89Å
320	L	90.8	Very high	90.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-51.3	173.7	178.7	62.5	0	0	0	110.8	V214 L217 L218 I259 L306 L315 S316 L317 Q318 F322 Y323 I324	V214-L320 HydrophobicContact CG1-CD2 4.39Å; L217-L320 HydrophobicContact CD2-CD2 3.7Å; L217-L320 HydrophobicContact CG-CD2 4.36Å; L218-L320 HydrophobicContact CD2-CD1 4.45Å; I259-L320 HydrophobicContact CD1-CD2 4.39Å; L306-L320 HydrophobicContact CD1-CD1 3.69Å; L306-L320 HydrophobicContact CD2-CD1 4.22Å; L306-L320 HydrophobicContact CG-CD1 4.39Å; L315-L320 HydrophobicContact CD1-CB 4.17Å; L315-L320 HydrophobicContact CG-CB 4.48Å; S316-L320 PolarHBondContact O-N 3.18Å; L317-L320 HydrophobicContact CD1-CD2 4.38Å; L317-L320 WeakPolarHBondContact O-CB 3.43Å; L317-L320 PolarHBondContact O-N 2.97Å; Q318-L320 VanDerWaalsContact C-N 3.34Å; L320-F322 VanDerWaalsContact C-N 3.27Å; L320-F322 PolarHBondContact O-N 3.27Å; L320-Y323 PolarHBondContact O-N 3.4Å; L320-I324 HydrophobicContact CD1-CG2 3.97Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 WeakPolarHBondContact O-CG2 3.24Å; L320-I324 PolarHBondContact O-N 2.89Å; L320-I324 VanDerWaalsContact O-N 3.07Å
321	W	91.6	Very high	90.2	Very high	67 Å²	67	66.6 Å²	66.6	25%	0.254	32%	0.322	S	S	.	.	H	α-helix	trans	-54.4	-41.4	176.5	172.3	-115.4	0	0	0	112.9	R258 I259 L317 Q318 I324 Q325 M328	R258-W321 HydrophobicContact CB-CE3 4.36Å; R258-W321 HydrophobicContact CB-CH2 3.84Å; R258-W321 HydrophobicContact CB-CZ2 4.31Å; R258-W321 HydrophobicContact CB-CZ3 3.87Å; R258-W321 VanDerWaalsContact O-CZ3 3.22Å; R258-W321 WeakPolarHBondContact O-CZ3 3.39Å; I259-W321 HydrophobicContact CD1-CB 4.41Å; I259-W321 HydrophobicContact CG1-CE3 3.65Å; I259-W321 HydrophobicContact CG1-CZ3 4.28Å; L317-W321 PolarHBondContact O-N 3.19Å; Q318-W321 PolarHBondContact O-N 3.27Å; W321-I324 HydrophobicContact CE3-CD1 4.01Å; W321-I324 HydrophobicContact CE3-CG1 4.31Å; W321-I324 HydrophobicContact CZ3-CD1 4.49Å; W321-I324 WeakPolarHBondContact O-CG1 3.27Å; W321-Q325 VanDerWaalsContact CD2-NE2 3.31Å; W321-Q325 WeakPolarHBondContact O-CG 3.42Å; W321-Q325 PolarHBondContact O-NE2 3.32Å; W321-M328 HydrophobicContact CH2-CE 4.42Å; W321-M328 HydrophobicContact CH2-SD 4.08Å; W321-M328 HydrophobicContact CZ3-CE 3.67Å; W321-M328 HydrophobicContact CZ3-SD 3.89Å
322	F	92.4	Very high	90.3	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.632	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-46.8	177.3	174.6	-103.3	0	0	0	112.4	Q318 K319 L320 I324 Q325	Q318-F322 PolarHBondContact O-N 3.06Å; K319-F322 PolarHBondContact O-N 3.07Å; L320-F322 VanDerWaalsContact C-N 3.27Å; L320-F322 PolarHBondContact O-N 3.27Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 PolarHBondContact O-N 3.42Å; F322-Q325 PolarHBondContact O-N 3.02Å
323	Y	91.6	Very high	90.4	Very high	102 Å²	102	57.3 Å²	57.3	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-67.8	-30.5	-177.5	-68.3	-44.4	0	0	0	113.6	L306 L309 L315 K319 L320 P326	L306-Y323 HydrophobicContact CD2-CD2 3.66Å; L306-Y323 HydrophobicContact CD2-CG 4.17Å; L309-Y323 HydrophobicContact CD2-CE2 4.26Å; L315-Y323 HydrophobicContact CD1-CD2 4.4Å; K319-Y323 HydrophobicContact CB-CD2 4.48Å; K319-Y323 HydrophobicContact CB-CE2 4.16Å; K319-Y323 WeakPolarHBondContact O-CD2 3.42Å; K319-Y323 PolarHBondContact O-N 2.89Å; L320-Y323 PolarHBondContact O-N 3.4Å; Y323-P326 WeakPolarHBondContact O-CD 3.41Å
324	I	90.9	Very high	90.7	Very high	4 Å²	4	55 Å²	55	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-81.9	-11.2	179.8	67.7	174.1	0	0	0	114.1	I259 V262 L306 L320 W321 F322 T327 M328	I259-I324 HydrophobicContact CB-CD1 4Å; I259-I324 HydrophobicContact CG1-CD1 3.74Å; I259-I324 HydrophobicContact CG2-CD1 3.4Å; V262-I324 HydrophobicContact CG1-CD1 4.37Å; L306-I324 HydrophobicContact CD1-CG2 4.15Å; L320-I324 HydrophobicContact CD1-CG2 3.97Å; L320-I324 WeakPolarHBondContact O-CG1 3.4Å; L320-I324 WeakPolarHBondContact O-CG2 3.24Å; L320-I324 PolarHBondContact O-N 2.89Å; L320-I324 VanDerWaalsContact O-N 3.07Å; W321-I324 HydrophobicContact CE3-CD1 4.01Å; W321-I324 HydrophobicContact CE3-CG1 4.31Å; W321-I324 HydrophobicContact CZ3-CD1 4.49Å; W321-I324 WeakPolarHBondContact O-CG1 3.27Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 PolarHBondContact O-N 3.42Å; I324-T327 WeakPolarHBondContact CA-OG1 3.33Å; I324-T327 PolarHBondContact O-N 3.38Å; I324-T327 PolarHBondContact O-OG1 3.42Å; I324-M328 HydrophobicContact CD1-CE 4.08Å; I324-M328 WeakPolarHBondContact O-CB 3.25Å; I324-M328 PolarHBondContact O-N 3.19Å
325	Q	89.6	Confident	90.8	Very high	76 Å²	76	50.5 Å²	50.5	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-51.5	-49.9	-176.8	-77.8	-59.7	-45.5	0	0	113.6	W321 F322 T327 M328 R329	W321-Q325 VanDerWaalsContact CD2-NE2 3.31Å; W321-Q325 WeakPolarHBondContact O-CG 3.42Å; W321-Q325 PolarHBondContact O-NE2 3.32Å; F322-Q325 PolarHBondContact O-N 3.02Å; Q325-T327 PolarHBondContact O-N 2.86Å; Q325-M328 PolarHBondContact O-N 2.79Å; Q325-R329 PolarHBondContact O-N 2.77Å
326	P	89.3	Confident	90.8	Very high	83 Å²	83	51.7 Å²	51.7	54%	0.539	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-42.3	-178.1	-20.1	34.8	0	0	0	111.6	Y323 M328 R329 T330	Y323-P326 WeakPolarHBondContact O-CD 3.41Å; P326-M328 VanDerWaalsContact C-N 3.35Å; P326-M328 PolarHBondContact O-N 3.47Å; P326-R329 PolarHBondContact O-N 3.4Å; P326-T330 PolarHBondContact O-N 3.15Å
327	T	88.9	Confident	90.9	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.16	24%	0.237	C	C	.	.	H	α-helix	trans	-68	-34.1	179	44.9	0	0	0	0	112.9	L302 I324 Q325 R329 T330 M331	L302-T327 HydrophobicContact CD2-CG2 3.41Å; L302-T327 VanDerWaalsContact CD2-CG2 3.41Å; I324-T327 WeakPolarHBondContact CA-OG1 3.33Å; I324-T327 PolarHBondContact O-N 3.38Å; I324-T327 PolarHBondContact O-OG1 3.42Å; Q325-T327 PolarHBondContact O-N 2.86Å; T327-R329 VanDerWaalsContact C-N 3.31Å; T327-R329 PolarHBondContact O-N 3.19Å; T327-T330 WeakPolarHBondContact CA-OG1 3.48Å; T327-T330 PolarHBondContact O-N 3.06Å; T327-T330 PolarHBondContact O-OG1 3.01Å; T327-M331 WeakPolarHBondContact O-CB 3.44Å; T327-M331 VanDerWaalsContact O-CG 3.23Å; T327-M331 WeakPolarHBondContact O-CG 3.29Å; T327-M331 PolarHBondContact O-N 3.47Å
328	M	89.4	Confident	91	Very high	23 Å²	23	50.1 Å²	50.1	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-45.4	178.8	179.4	169.2	-76	0	0	111.1	R258 V262 W321 I324 Q325 P326 M331 E332	R258-M328 WeakPolarHBondContact O-CE 3.22Å; V262-M328 HydrophobicContact CB-CE 3.96Å; V262-M328 HydrophobicContact CG1-CE 4.01Å; W321-M328 HydrophobicContact CH2-CE 4.42Å; W321-M328 HydrophobicContact CH2-SD 4.08Å; W321-M328 HydrophobicContact CZ3-CE 3.67Å; W321-M328 HydrophobicContact CZ3-SD 3.89Å; I324-M328 HydrophobicContact CD1-CE 4.08Å; I324-M328 WeakPolarHBondContact O-CB 3.25Å; I324-M328 PolarHBondContact O-N 3.19Å; Q325-M328 PolarHBondContact O-N 2.79Å; P326-M328 VanDerWaalsContact C-N 3.35Å; P326-M328 PolarHBondContact O-N 3.47Å; M328-M331 PolarHBondContact O-N 3.19Å; M328-E332 WeakPolarHBondContact O-CB 3.4Å; M328-E332 PolarHBondContact O-N 3.49Å
329	R	90.8	Very high	91	Very high	121 Å²	121	46.5 Å²	46.5	46%	0.457	22%	0.224	S	C	.	.	H	α-helix	trans	-63.6	-44.2	176.3	-171.2	178.1	-171.1	149.9	8.6	112.2	Q325 P326 T327 M331 E332 I333 D365	Q325-R329 PolarHBondContact O-N 2.77Å; P326-R329 PolarHBondContact O-N 3.4Å; T327-R329 VanDerWaalsContact C-N 3.31Å; T327-R329 PolarHBondContact O-N 3.19Å; R329-M331 PolarHBondContact O-N 2.89Å; R329-E332 PolarHBondContact O-N 2.93Å; R329-I333 HydrophobicContact CG-CD1 4.15Å; R329-I333 WeakPolarHBondContact O-CD1 3.43Å; R329-I333 VanDerWaalsContact O-CG1 3.3Å; R329-I333 WeakPolarHBondContact O-CG1 3.42Å; R329-I333 PolarHBondContact O-N 3.07Å; R329-I333 VanDerWaalsContact O-N 3.11Å; R329-D365 IonicContact CZ-OD1 3.94Å; R329-D365 IonicContact CZ-OD2 3.73Å; R329-D365 IonicContact NE-OD2 3.56Å; R329-D365 PolarHBondContact NE-OD2 3.47Å; R329-D365 IonicContact NH1-OD2 2.83Å; R329-D365 IonicContact NH2-OD1 3.1Å; R329-D365 IonicContact NH2-OD2 3.44Å; R329-D365 PolarHBondContact NH2-OD2 3.27Å
330	T	91.4	Very high	90.9	Very high	55 Å²	55	43.4 Å²	43.4	34%	0.337	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-42.6	178.4	57.5	0	0	0	0	112.2	P326 T327 I333 L334 L371	P326-T330 PolarHBondContact O-N 3.15Å; T327-T330 WeakPolarHBondContact CA-OG1 3.48Å; T327-T330 PolarHBondContact O-N 3.06Å; T327-T330 PolarHBondContact O-OG1 3.01Å; T330-I333 PolarHBondContact O-N 3.09Å; T330-L334 WeakPolarHBondContact O-CG 3.19Å; T330-L334 PolarHBondContact O-N 3.42Å; T330-L371 HydrophobicContact CG2-CD2 4.38Å
331	M	91.6	Very high	90.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-69	-36.6	178.8	-65.8	-68.4	-101.7	0	0	111.6	V262 Y265 Y266 I269 M296 Y299 T327 M328 R329 L334 A335	V262-M331 HydrophobicContact CG2-CB 4.27Å; V262-M331 HydrophobicContact CG2-CG 4.18Å; Y265-M331 HydrophobicContact CD2-CB 4.36Å; Y266-M331 HydrophobicContact CD2-CE 3.95Å; Y266-M331 HydrophobicContact CG-CE 4.47Å; I269-M331 HydrophobicContact CD1-CB 4.38Å; I269-M331 HydrophobicContact CD1-CE 4.28Å; I269-M331 HydrophobicContact CD1-SD 3.77Å; M296-M331 HydrophobicContact CE-CE 3.87Å; M296-M331 HydrophobicContact SD-CE 3.61Å; M296-M331 HydrophobicContact SD-SD 3.77Å; Y299-M331 HydrophobicContact CD1-CE 3.65Å; Y299-M331 HydrophobicContact CD2-CE 3.85Å; Y299-M331 HydrophobicContact CD2-CG 4.4Å; Y299-M331 HydrophobicContact CE1-CE 3.91Å; Y299-M331 HydrophobicContact CE2-CE 4.09Å; Y299-M331 HydrophobicContact CG-CE 3.61Å; Y299-M331 HydrophobicContact CG-SD 4.37Å; T327-M331 WeakPolarHBondContact O-CB 3.44Å; T327-M331 VanDerWaalsContact O-CG 3.23Å; T327-M331 WeakPolarHBondContact O-CG 3.29Å; T327-M331 PolarHBondContact O-N 3.47Å; M328-M331 PolarHBondContact O-N 3.19Å; R329-M331 PolarHBondContact O-N 2.89Å; M331-L334 PolarHBondContact O-N 2.73Å; M331-L334 HydrophobicContact SD-CD1 4.39Å; M331-A335 VanDerWaalsContact O-CB 3.27Å; M331-A335 WeakPolarHBondContact O-CB 3.48Å; M331-A335 PolarHBondContact O-N 3.4Å
332	E	92.4	Very high	90.4	Very high	94 Å²	94	41.7 Å²	41.7	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-59.7	-46.7	173.5	-178.7	-179.9	-169.5	0	0	111.7	Y265 M328 R329 A335 S336	Y265-E332 HydrophobicContact CD2-CB 3.99Å; Y265-E332 HydrophobicContact CE2-CB 3.57Å; Y265-E332 HydrophobicContact CE2-CG 3.96Å; M328-E332 WeakPolarHBondContact O-CB 3.4Å; M328-E332 PolarHBondContact O-N 3.49Å; R329-E332 PolarHBondContact O-N 2.93Å; E332-A335 PolarHBondContact O-N 2.82Å; E332-S336 VanDerWaalsContact O-CB 3.29Å; E332-S336 WeakPolarHBondContact O-CB 3.29Å; E332-S336 PolarHBondContact O-N 3.27Å
333	I	92.4	Very high	90	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-45.7	178.8	-63.7	159.5	0	0	0	110.3	R329 T330 S336 I337 Y362 A368 L371	R329-I333 HydrophobicContact CG-CD1 4.15Å; R329-I333 WeakPolarHBondContact O-CD1 3.43Å; R329-I333 VanDerWaalsContact O-CG1 3.3Å; R329-I333 WeakPolarHBondContact O-CG1 3.42Å; R329-I333 PolarHBondContact O-N 3.07Å; R329-I333 VanDerWaalsContact O-N 3.11Å; T330-I333 PolarHBondContact O-N 3.09Å; I333-S336 WeakPolarHBondContact O-CB 3.43Å; I333-S336 PolarHBondContact O-N 3.27Å; I333-I337 HydrophobicContact CG2-CD1 4.01Å; I333-I337 WeakPolarHBondContact O-CG1 3.13Å; I333-I337 PolarHBondContact O-N 3.14Å; I333-Y362 HydrophobicContact CG2-CE2 4.17Å; I333-A368 HydrophobicContact CD1-CB 3.45Å; I333-A368 VanDerWaalsContact CD1-CB 3.45Å; I333-L371 HydrophobicContact CB-CD2 4.14Å; I333-L371 HydrophobicContact CD1-CD2 4.24Å; I333-L371 HydrophobicContact CG2-CD2 4.07Å
334	L	92.6	Very high	89.2	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-45.4	177.1	-70.4	175.6	0	0	0	112.1	I269 M292 L295 T330 M331 S336 I337 A338 L375	I269-L334 HydrophobicContact CD1-CB 3.52Å; I269-L334 HydrophobicContact CD1-CD1 4.24Å; I269-L334 HydrophobicContact CG1-CB 3.97Å; M292-L334 HydrophobicContact CE-CD2 4.27Å; M292-L334 HydrophobicContact CG-CD2 4.2Å; L295-L334 HydrophobicContact CB-CD1 4.18Å; L295-L334 HydrophobicContact CD1-CD1 4.09Å; L295-L334 HydrophobicContact CD1-CD2 3.91Å; T330-L334 WeakPolarHBondContact O-CG 3.19Å; T330-L334 PolarHBondContact O-N 3.42Å; M331-L334 PolarHBondContact O-N 2.73Å; M331-L334 HydrophobicContact SD-CD1 4.39Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.17Å; L334-I337 PolarHBondContact O-N 2.96Å; L334-A338 WeakPolarHBondContact O-CB 3.4Å; L334-A338 PolarHBondContact O-N 2.99Å; L334-L375 HydrophobicContact CD2-CD1 3.61Å; L334-L375 HydrophobicContact CD2-CD2 4.28Å
335	A	91.4	Very high	88.7	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-36.2	177.7	0	0	0	0	0	112.1	Y265 T268 I269 M331 E332 S339	Y265-A335 HydrophobicContact CD1-CB 3.58Å; Y265-A335 HydrophobicContact CE1-CB 4.48Å; Y265-A335 HydrophobicContact CG-CB 3.95Å; T268-A335 HydrophobicContact CG2-CB 4.47Å; I269-A335 HydrophobicContact CD1-CB 4.4Å; I269-A335 HydrophobicContact CG1-CB 4.19Å; M331-A335 VanDerWaalsContact O-CB 3.27Å; M331-A335 WeakPolarHBondContact O-CB 3.48Å; M331-A335 PolarHBondContact O-N 3.4Å; E332-A335 PolarHBondContact O-N 2.82Å; A335-S339 VanDerWaalsContact O-CB 3.25Å; A335-S339 WeakPolarHBondContact O-CB 3.29Å; A335-S339 PolarHBondContact O-N 3.33Å; A335-S339 PolarHBondContact O-OG 2.62Å
336	S	91.8	Very high	88.3	Confident	39 Å²	39	42.7 Å²	42.7	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-43.5	173.8	-178.4	0	0	0	0	111.9	E332 I333 L334 S340	E332-S336 VanDerWaalsContact O-CB 3.29Å; E332-S336 WeakPolarHBondContact O-CB 3.29Å; E332-S336 PolarHBondContact O-N 3.27Å; I333-S336 WeakPolarHBondContact O-CB 3.43Å; I333-S336 PolarHBondContact O-N 3.27Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.17Å; S336-S340 WeakPolarHBondContact O-CB 3.49Å; S336-S340 PolarHBondContact O-N 3.21Å; S336-S340 PolarHBondContact O-OG 3.41Å
337	I	91.5	Very high	88	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-50.9	174.7	-67.8	167.9	0	0	0	110.3	M292 I333 L334 S339 S340 L341 L355 R358 L375	M292-I337 HydrophobicContact CE-CB 4.33Å; M292-I337 HydrophobicContact CE-CG2 3.81Å; I333-I337 HydrophobicContact CG2-CD1 4.01Å; I333-I337 WeakPolarHBondContact O-CG1 3.13Å; I333-I337 PolarHBondContact O-N 3.14Å; L334-I337 PolarHBondContact O-N 2.96Å; I337-S339 PolarHBondContact O-N 3.45Å; I337-S340 PolarHBondContact O-N 3.08Å; I337-S340 VanDerWaalsContact O-N 3.15Å; I337-L341 HydrophobicContact CG2-CD1 3.79Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CG 3.37Å; I337-L341 PolarHBondContact O-N 2.89Å; I337-L355 HydrophobicContact CD1-CD2 4.45Å; I337-L355 HydrophobicContact CG2-CD2 3.66Å; I337-R358 HydrophobicContact CG1-CG 4.46Å; I337-L375 HydrophobicContact CD1-CD1 3.85Å
338	A	91	Very high	87.9	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-46.5	178.8	0	0	0	0	0	112.1	F272 L334 S340 L341 D342	F272-A338 HydrophobicContact CB-CB 3.86Å; F272-A338 HydrophobicContact CD1-CB 3.96Å; F272-A338 HydrophobicContact CD2-CB 3.86Å; F272-A338 HydrophobicContact CE2-CB 4.42Å; F272-A338 HydrophobicContact CG-CB 3.61Å; L334-A338 WeakPolarHBondContact O-CB 3.4Å; L334-A338 PolarHBondContact O-N 2.99Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 2.84Å; A338-L341 PolarHBondContact O-N 2.77Å; A338-D342 PolarHBondContact O-N 3.21Å
339	S	89.1	Confident	87.8	Confident	32 Å²	32	39.8 Å²	39.8	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-35.3	178.1	-60.4	0	0	0	0	112.6	A335 I337 K343	A335-S339 VanDerWaalsContact O-CB 3.25Å; A335-S339 WeakPolarHBondContact O-CB 3.29Å; A335-S339 PolarHBondContact O-N 3.33Å; A335-S339 PolarHBondContact O-OG 2.62Å; I337-S339 PolarHBondContact O-N 3.45Å; S339-K343 WeakPolarHBondContact O-CB 3.07Å; S339-K343 WeakPolarHBondContact O-CG 3.42Å; S339-K343 PolarHBondContact O-N 3.24Å; S339-K343 VanDerWaalsContact O-N 3.12Å
340	S	89.1	Confident	87.7	Confident	28 Å²	28	35.5 Å²	35.5	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-71.6	-40.9	178.7	-58.3	0	0	0	0	111.5	S336 I337 A338 K343 G344 R358	S336-S340 WeakPolarHBondContact O-CB 3.49Å; S336-S340 PolarHBondContact O-N 3.21Å; S336-S340 PolarHBondContact O-OG 3.41Å; I337-S340 PolarHBondContact O-N 3.08Å; I337-S340 VanDerWaalsContact O-N 3.15Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 2.84Å; S340-K343 PolarHBondContact O-N 3.21Å; S340-G344 PolarHBondContact O-N 2.97Å; S340-G344 VanDerWaalsContact O-N 3.11Å; S340-R358 PolarHBondContact OG-NH2 3.45Å
341	L	86.8	Confident	87.7	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-41.5	176.7	-72.8	169.2	0	0	0	112.1	F272 L288 I337 A338 G344 E345 C346 T351 L354	F272-L341 HydrophobicContact CE1-CD1 4.48Å; F272-L341 HydrophobicContact CE2-CB 3.9Å; F272-L341 HydrophobicContact CE2-CD1 4.21Å; F272-L341 HydrophobicContact CZ-CB 4.18Å; F272-L341 HydrophobicContact CZ-CD1 3.64Å; L288-L341 HydrophobicContact CD2-CD1 3.35Å; I337-L341 HydrophobicContact CG2-CD1 3.79Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CG 3.37Å; I337-L341 PolarHBondContact O-N 2.89Å; A338-L341 PolarHBondContact O-N 2.77Å; L341-G344 PolarHBondContact O-N 2.94Å; L341-E345 PolarHBondContact O-N 3.14Å; L341-E345 VanDerWaalsContact O-N 3.1Å; L341-C346 HydrophobicContact CD2-CB 3.77Å; L341-C346 PolarHBondContact O-N 3.4Å; L341-T351 HydrophobicContact CD1-CG2 4.34Å; L341-T351 HydrophobicContact CD2-CG2 3.74Å; L341-L354 HydrophobicContact CD2-CB 4.42Å; L341-L354 HydrophobicContact CD2-CD2 3.46Å; L341-L354 VanDerWaalsContact CD2-CD2 3.46Å; L341-L354 HydrophobicContact CG-CD2 3.7Å
342	D	84	Confident	87.8	Confident	28 Å²	28	32.8 Å²	32.8	15%	0.15	19%	0.185	C	C	.	.	H	α-helix	trans	-71.4	-36	179.2	-166.9	53.3	0	0	0	112.5	R237 K276 A338 G344	R237-D342 WeakPolarHBondContact CD-OD2 3.3Å; R237-D342 VanDerWaalsContact CZ-O 3.25Å; R237-D342 IonicContact CZ-OD2 2.77Å; R237-D342 IonicContact NE-OD2 2.79Å; R237-D342 PolarHBondContact NE-OD2 3.25Å; R237-D342 PolarHBondContact NH1-O 2.88Å; R237-D342 PolarHBondContact NH2-O 3.38Å; R237-D342 IonicContact NH2-OD1 3.21Å; R237-D342 IonicContact NH2-OD2 3.37Å; K276-D342 IonicContact NZ-OD1 3.11Å; K276-D342 PolarHBondContact NZ-OD1 2.76Å; A338-D342 PolarHBondContact O-N 3.21Å; D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 3.33Å
343	K	83.8	Confident	87.7	Confident	152 Å²	152	29.3 Å²	29.3	66%	0.661	17%	0.171	S	C	*	.	H	α-helix	trans	-63.5	-37.6	173.2	-77.5	173.8	-175.8	179.6	0	112.8	S339 S340	S339-K343 WeakPolarHBondContact O-CB 3.07Å; S339-K343 WeakPolarHBondContact O-CG 3.42Å; S339-K343 PolarHBondContact O-N 3.24Å; S339-K343 VanDerWaalsContact O-N 3.12Å; S340-K343 PolarHBondContact O-N 3.21Å
344	G	76.2	Confident	87.7	Confident	47 Å²	47	30.7 Å²	30.7	49%	0.485	18%	0.179	S	C	.	.	H	α-helix	trans	-89.6	-3.2	-177.1	0	0	0	0	0	115.2	S340 L341 D342 C346	S340-G344 PolarHBondContact O-N 2.97Å; S340-G344 VanDerWaalsContact O-N 3.11Å; L341-G344 PolarHBondContact O-N 2.94Å; D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 3.33Å; G344-C346 PolarHBondContact O-N 3.06Å; G344-C346 VanDerWaalsContact O-N 3.12Å
345	E	79.9	Confident	87.7	Confident	122 Å²	122	30.7 Å²	30.7	57%	0.57	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.4	41.4	-172.9	-61.6	-173.4	169.3	0	0	112.5	R237 L341	R237-E345 IonicContact NH2-OE1 3.05Å; L341-E345 PolarHBondContact O-N 3.14Å; L341-E345 VanDerWaalsContact O-N 3.1Å
346	C	80.8	Confident	87.7	Confident	25 Å²	25	31 Å²	31	17%	0.169	18%	0.179	C	C	.	.			trans	-71.5	133.4	-172	-56.8	0	0	0	0	111.5	N285 L341 G344 A350 T351	N285-C346 PolarHBondContact ND2-O 3.18Å; N285-C346 VanDerWaalsContact ND2-O 3.16Å; L341-C346 HydrophobicContact CD2-CB 3.77Å; L341-C346 PolarHBondContact O-N 3.4Å; G344-C346 PolarHBondContact O-N 3.06Å; G344-C346 VanDerWaalsContact O-N 3.12Å; C346-A350 HydrophobicContact CB-CB 4.06Å; C346-T351 PolarHBondContact O-OG1 3.1Å
347	M	83.8	Confident	87.7	Confident	71 Å²	71	32.7 Å²	32.7	35%	0.35	19%	0.185	S	C	.	.			trans	-136.1	148.2	175.2	-60.5	-172.2	-63	0	0	110.2	L158 G349 A350	L158-M347 HydrophobicContact CD1-SD 4.2Å; L158-M347 HydrophobicContact CD2-CE 3.7Å; L158-M347 HydrophobicContact CD2-SD 3.86Å; M347-G349 PolarHBondContact O-N 3.48Å; M347-A350 PolarHBondContact O-N 3.44Å
348	G	86.3	Confident	87.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-121.8	178.8	0	0	0	0	0	113.3	A350 T351 L352 E402	G348-A350 VanDerWaalsContact C-N 3.28Å; G348-A350 PolarHBondContact O-N 3.46Å; G348-T351 WeakPolarHBondContact O-CB 3.25Å; G348-T351 PolarHBondContact O-N 3.47Å; G348-L352 PolarHBondContact O-N 2.94Å; G348-E402 PolarHBondContact N-OE1 2.96Å
349	G	87.4	Confident	87.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-29.2	-177.6	0	0	0	0	0	115.2	M347 T351 L352 S353 R434	M347-G349 PolarHBondContact O-N 3.48Å; G349-T351 PolarHBondContact O-N 3.12Å; G349-L352 PolarHBondContact O-N 2.9Å; G349-S353 PolarHBondContact O-N 3.37Å; G349-S353 PolarHBondContact O-OG 3.37Å; G349-S353 VanDerWaalsContact O-OG 3.12Å; G349-R434 WeakPolarHBondContact CA-O 3.41Å
350	A	89.1	Confident	87.3	Confident	32 Å²	32	38.4 Å²	38.4	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-37.7	177.4	0	0	0	0	0	112.1	C346 M347 G348 L352 S353 L354	C346-A350 HydrophobicContact CB-CB 4.06Å; M347-A350 PolarHBondContact O-N 3.44Å; G348-A350 VanDerWaalsContact C-N 3.28Å; G348-A350 PolarHBondContact O-N 3.46Å; A350-L352 VanDerWaalsContact C-N 3.33Å; A350-S353 PolarHBondContact O-N 2.99Å; A350-L354 PolarHBondContact O-N 3.47Å; A350-L354 VanDerWaalsContact O-N 3.12Å
351	T	91.5	Very high	87.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-43.3	173.8	-62.8	0	0	0	0	110.3	V284 N285 L288 L341 C346 G348 G349 L354 L355	V284-T351 HydrophobicContact CG1-CG2 4.05Å; N285-T351 WeakPolarHBondContact OD1-CG2 3.38Å; N285-T351 PolarHBondContact OD1-OG1 3.42Å; L288-T351 HydrophobicContact CD2-CG2 3.96Å; L341-T351 HydrophobicContact CD1-CG2 4.34Å; L341-T351 HydrophobicContact CD2-CG2 3.74Å; C346-T351 PolarHBondContact O-OG1 3.1Å; G348-T351 WeakPolarHBondContact O-CB 3.25Å; G348-T351 PolarHBondContact O-N 3.47Å; G349-T351 PolarHBondContact O-N 3.12Å; T351-L354 PolarHBondContact O-N 3.33Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 3.46Å; T351-L355 VanDerWaalsContact O-N 3.07Å
352	L	92.2	Very high	87.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-41.9	178.9	-65.4	179.2	0	0	0	112.7	V284 G348 G349 A350 L354 L355 H356 A379 Y383 P436 F438	V284-L352 HydrophobicContact CG1-CD2 3.79Å; V284-L352 HydrophobicContact CG1-CG 3.86Å; G348-L352 PolarHBondContact O-N 2.94Å; G349-L352 PolarHBondContact O-N 2.9Å; A350-L352 VanDerWaalsContact C-N 3.33Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 3.15Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-H356 WeakPolarHBondContact O-CB 3.46Å; L352-H356 PolarHBondContact O-N 2.68Å; L352-A379 HydrophobicContact CD2-CB 3.98Å; L352-Y383 HydrophobicContact CD1-CD1 4.26Å; L352-Y383 HydrophobicContact CD1-CD2 3.89Å; L352-Y383 HydrophobicContact CD1-CG 3.68Å; L352-P436 HydrophobicContact CB-CB 4.29Å; L352-P436 HydrophobicContact CD1-CG 4.2Å; L352-F438 HydrophobicContact CB-CE1 4.17Å
353	S	91.9	Very high	87.4	Confident	21 Å²	21	47.8 Å²	47.8	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-46.3	174.9	-61.1	0	0	0	0	111.3	G349 A350 L355 H356 D357 P436 S437	G349-S353 PolarHBondContact O-N 3.37Å; G349-S353 PolarHBondContact O-OG 3.37Å; G349-S353 VanDerWaalsContact O-OG 3.12Å; A350-S353 PolarHBondContact O-N 2.99Å; S353-L355 PolarHBondContact O-N 2.88Å; S353-H356 WeakPolarHBondContact O-CB 3.32Å; S353-H356 PolarHBondContact O-N 3.39Å; S353-D357 PolarHBondContact O-N 3.29Å; S353-P436 WeakPolarHBondContact OG-CA 3.44Å; S353-S437 PolarHBondContact OG-N 3.43Å
354	L	92.1	Very high	87.6	Confident	38 Å²	38	44.7 Å²	44.7	20%	0.199	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-43	179.5	-175.3	70.8	0	0	0	112.2	L341 A350 T351 L352 H356 D357 R358	L341-L354 HydrophobicContact CD2-CB 4.42Å; L341-L354 HydrophobicContact CD2-CD2 3.46Å; L341-L354 VanDerWaalsContact CD2-CD2 3.46Å; L341-L354 HydrophobicContact CG-CD2 3.7Å; A350-L354 PolarHBondContact O-N 3.47Å; A350-L354 VanDerWaalsContact O-N 3.12Å; T351-L354 PolarHBondContact O-N 3.33Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 3.15Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 2.93Å; L354-D357 PolarHBondContact O-N 3.5Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CG 3.29Å; L354-R358 PolarHBondContact O-N 2.96Å
355	L	92.1	Very high	88.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-39	177.6	-69.4	174.6	0	0	0	111.7	L288 I337 T351 L352 S353 R358 T359 T376 A379	L288-L355 HydrophobicContact CD1-CD1 3.93Å; L288-L355 HydrophobicContact CD1-CD2 4.25Å; L288-L355 HydrophobicContact CD2-CD1 4.33Å; I337-L355 HydrophobicContact CD1-CD2 4.45Å; I337-L355 HydrophobicContact CG2-CD2 3.66Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CG 3.36Å; T351-L355 PolarHBondContact O-N 3.46Å; T351-L355 VanDerWaalsContact O-N 3.07Å; L352-L355 PolarHBondContact O-N 3.3Å; S353-L355 PolarHBondContact O-N 2.88Å; L355-R358 PolarHBondContact O-N 3.11Å; L355-T359 PolarHBondContact O-N 2.98Å; L355-T359 PolarHBondContact O-OG1 2.81Å; L355-T376 HydrophobicContact CB-CG2 4.36Å; L355-A379 HydrophobicContact CD1-CB 3.69Å
356	H	91.6	Very high	88.7	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-47.9	175.6	-175.5	70.4	0	0	0	111.8	L352 S353 L354 R358 T359 F360 F438 Y473	L352-H356 WeakPolarHBondContact O-CB 3.46Å; L352-H356 PolarHBondContact O-N 2.68Å; S353-H356 WeakPolarHBondContact O-CB 3.32Å; S353-H356 PolarHBondContact O-N 3.39Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 2.93Å; H356-R358 VanDerWaalsContact C-N 3.31Å; H356-R358 PolarHBondContact O-N 3.11Å; H356-T359 WeakPolarHBondContact O-CB 3.36Å; H356-T359 PolarHBondContact O-N 3.19Å; H356-T359 VanDerWaalsContact O-N 3.08Å; H356-F360 AromaticContact CE1-CE2 3.43Å; H356-F360 VanDerWaalsContact CE1-CE2 3.43Å; H356-F360 WeakPolarHBondContact CE1-CE2 3.39Å; H356-F360 AromaticContact NE2-CD2 3.87Å; H356-F360 AromaticContact NE2-CE2 3.28Å; H356-F360 VanDerWaalsContact NE2-CE2 3.28Å; H356-F360 WeakPolarHBondContact NE2-CE2 3.34Å; H356-F360 PolarHBondContact O-N 3.39Å; H356-F360 VanDerWaalsContact O-N 3.16Å; H356-F438 HydrophobicContact CB-CD1 4.16Å; H356-F438 AromaticContact CG-CD1 3.97Å; H356-Y473 AromaticContact ND1-CE2 3.9Å; H356-Y473 AromaticContact ND1-CZ 3.77Å; H356-Y473 PolarHBondContact ND1-OH 3.31Å
357	D	90.9	Very high	89.1	Confident	75 Å²	75	46.6 Å²	46.6	40%	0.401	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-40	177.7	-64.2	-12.1	0	0	0	111.5	S353 L354 T359 F360 N361	S353-D357 PolarHBondContact O-N 3.29Å; L354-D357 PolarHBondContact O-N 3.5Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 2.74Å; D357-F360 PolarHBondContact O-N 3.21Å; D357-N361 VanDerWaalsContact O-CG 3.24Å; D357-N361 PolarHBondContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 3.48Å
358	R	89.3	Confident	89.4	Confident	57 Å²	57	43.3 Å²	43.3	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-40.3	173.8	-70.9	-69.4	-176.3	-179.5	1.4	111.9	I337 S340 L354 L355 H356 F360 N361 Y362	I337-R358 HydrophobicContact CG1-CG 4.46Å; S340-R358 PolarHBondContact OG-NH2 3.45Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CG 3.29Å; L354-R358 PolarHBondContact O-N 2.96Å; L355-R358 PolarHBondContact O-N 3.11Å; H356-R358 VanDerWaalsContact C-N 3.31Å; H356-R358 PolarHBondContact O-N 3.11Å; R358-F360 VanDerWaalsContact C-N 3.25Å; R358-F360 PolarHBondContact O-N 2.95Å; R358-N361 PolarHBondContact O-N 2.79Å; R358-Y362 WeakPolarHBondContact O-CD2 3.47Å; R358-Y362 PolarHBondContact O-N 3.33Å
359	T	88.8	Confident	89.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-35.2	177.2	-53.3	0	0	0	0	111.8	L355 H356 D357 Q369 C372 L373 T376 L475	L355-T359 PolarHBondContact O-N 2.98Å; L355-T359 PolarHBondContact O-OG1 2.81Å; H356-T359 WeakPolarHBondContact O-CB 3.36Å; H356-T359 PolarHBondContact O-N 3.19Å; H356-T359 VanDerWaalsContact O-N 3.08Å; D357-T359 VanDerWaalsContact C-N 3.34Å; D357-T359 PolarHBondContact O-N 2.74Å; T359-Q369 HydrophobicContact CG2-CG 4.13Å; T359-C372 HydrophobicContact CG2-CB 4.31Å; T359-C372 WeakPolarHBondContact OG1-CB 3.33Å; T359-L373 HydrophobicContact CG2-CB 4.43Å; T359-T376 PolarHBondContact OG1-OG1 3.41Å; T359-L475 HydrophobicContact CG2-CD1 3.7Å
360	F	87	Confident	89.8	Confident	97 Å²	97	51.3 Å²	51.3	43%	0.425	29%	0.288	S	S	.	.	H	α-helix	trans	-73.8	-39.3	174.7	-86.2	-64.5	0	0	0	113.6	H356 D357 R358 Y362 T363	H356-F360 AromaticContact CE1-CE2 3.43Å; H356-F360 VanDerWaalsContact CE1-CE2 3.43Å; H356-F360 WeakPolarHBondContact CE1-CE2 3.39Å; H356-F360 AromaticContact NE2-CD2 3.87Å; H356-F360 AromaticContact NE2-CE2 3.28Å; H356-F360 VanDerWaalsContact NE2-CE2 3.28Å; H356-F360 WeakPolarHBondContact NE2-CE2 3.34Å; H356-F360 PolarHBondContact O-N 3.39Å; H356-F360 VanDerWaalsContact O-N 3.16Å; D357-F360 PolarHBondContact O-N 3.21Å; R358-F360 VanDerWaalsContact C-N 3.25Å; R358-F360 PolarHBondContact O-N 2.95Å; F360-Y362 PolarHBondContact O-N 3.49Å; F360-Y362 VanDerWaalsContact O-N 3.17Å; F360-T363 WeakPolarHBondContact O-CB 3.3Å; F360-T363 PolarHBondContact O-N 3.17Å; F360-T363 VanDerWaalsContact O-N 3.13Å; F360-T363 PolarHBondContact O-OG1 3.46Å
361	N	88.5	Confident	89.9	Confident	116 Å²	116	50.7 Å²	50.7	62%	0.62	28%	0.28	S	S	*	.	H	α-helix	trans	-60.2	-27.4	179	-70.3	-28.5	0	0	0	112.9	D357 R358	D357-N361 VanDerWaalsContact O-CG 3.24Å; D357-N361 PolarHBondContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 3.48Å; R358-N361 PolarHBondContact O-N 2.79Å
362	Y	88.1	Confident	90	Very high	54 Å²	54	50.7 Å²	50.7	21%	0.212	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	19.7	178.6	-63.8	-64.6	0	0	0	114.7	I333 R358 F360 G364 D365 A368	I333-Y362 HydrophobicContact CG2-CE2 4.17Å; R358-Y362 WeakPolarHBondContact O-CD2 3.47Å; R358-Y362 PolarHBondContact O-N 3.33Å; F360-Y362 PolarHBondContact O-N 3.49Å; F360-Y362 VanDerWaalsContact O-N 3.17Å; Y362-G364 PolarHBondContact O-N 3.19Å; Y362-D365 CarbonylContact O-C 3.58Å; Y362-D365 PolarHBondContact O-N 3.05Å; Y362-D365 VanDerWaalsContact O-O 3.09Å; Y362-A368 HydrophobicContact CD1-CB 3.88Å; Y362-A368 HydrophobicContact CD2-CB 4.37Å; Y362-A368 HydrophobicContact CG-CB 3.79Å
363	T	84.9	Confident	90	Very high	86 Å²	86	52.3 Å²	52.3	53%	0.528	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.3	-179.2	-59.8	0	0	0	0	113.8	F360	F360-T363 WeakPolarHBondContact O-CB 3.3Å; F360-T363 PolarHBondContact O-N 3.17Å; F360-T363 VanDerWaalsContact O-N 3.13Å; F360-T363 PolarHBondContact O-OG1 3.46Å
364	G	86.8	Confident	90.1	Very high	88 Å²	88	56.1 Å²	56.1	91%	0.907	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.4	175.2	0	0	0	0	0	115.2	Y362	Y362-G364 PolarHBondContact O-N 3.19Å
365	D	90.8	Very high	90.2	Very high	26 Å²	26	54.3 Å²	54.3	14%	0.139	29%	0.291	C	S	.	.			trans	-126.9	102.2	-177.2	175	15.9	0	0	0	110.9	R329 Y362 Q367 A368 Q369	R329-D365 IonicContact CZ-OD1 3.94Å; R329-D365 IonicContact CZ-OD2 3.73Å; R329-D365 IonicContact NE-OD2 3.56Å; R329-D365 PolarHBondContact NE-OD2 3.47Å; R329-D365 IonicContact NH1-OD2 2.83Å; R329-D365 IonicContact NH2-OD1 3.1Å; R329-D365 IonicContact NH2-OD2 3.44Å; R329-D365 PolarHBondContact NH2-OD2 3.27Å; Y362-D365 CarbonylContact O-C 3.58Å; Y362-D365 PolarHBondContact O-N 3.05Å; Y362-D365 VanDerWaalsContact O-O 3.09Å; D365-Q367 VanDerWaalsContact C-N 3.29Å; D365-Q367 PolarHBondContact O-N 3.4Å; D365-Q367 PolarHBondContact OD1-N 2.9Å; D365-A368 HydrophobicContact CB-CB 4.12Å; D365-A368 PolarHBondContact O-N 3.11Å; D365-A368 WeakPolarHBondContact OD2-CB 3.4Å; D365-Q369 WeakPolarHBondContact O-CB 3.2Å; D365-Q369 PolarHBondContact O-N 3.35Å
366	S	89.1	Confident	90.2	Very high	75 Å²	75	54.2 Å²	54.2	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-37.7	-176.1	-164.9	0	0	0	0	113.1	E370	S366-E370 WeakPolarHBondContact O-CB 3.46Å; S366-E370 WeakPolarHBondContact O-CG 3.24Å; S366-E370 PolarHBondContact O-N 2.8Å
367	Q	88.9	Confident	90.3	Very high	133 Å²	133	58.5 Å²	58.5	62%	0.621	31%	0.309	S	S	*	.	H	α-helix	trans	-71.8	-44.6	-177.1	-70.5	-178.4	-8.9	0	0	111.3	D365 Q369 E370 L371	D365-Q367 VanDerWaalsContact C-N 3.29Å; D365-Q367 PolarHBondContact O-N 3.4Å; D365-Q367 PolarHBondContact OD1-N 2.9Å; Q367-Q369 VanDerWaalsContact C-N 3.32Å; Q367-Q369 PolarHBondContact O-N 2.78Å; Q367-E370 PolarHBondContact O-N 3.44Å; Q367-L371 WeakPolarHBondContact O-CB 3.24Å; Q367-L371 PolarHBondContact O-N 2.95Å; Q367-L371 VanDerWaalsContact O-N 3.09Å
368	A	89.6	Confident	90.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-36.8	175.4	0	0	0	0	0	112.3	I333 Y362 D365 L371 C372	I333-A368 HydrophobicContact CD1-CB 3.45Å; I333-A368 VanDerWaalsContact CD1-CB 3.45Å; Y362-A368 HydrophobicContact CD1-CB 3.88Å; Y362-A368 HydrophobicContact CD2-CB 4.37Å; Y362-A368 HydrophobicContact CG-CB 3.79Å; D365-A368 HydrophobicContact CB-CB 4.12Å; D365-A368 PolarHBondContact O-N 3.11Å; D365-A368 WeakPolarHBondContact OD2-CB 3.4Å; A368-L371 PolarHBondContact O-N 3.46Å; A368-C372 PolarHBondContact O-N 2.64Å; A368-C372 PolarHBondContact O-SG 3.04Å
369	Q	91.3	Very high	90.7	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-44.1	176.9	-170.9	177.2	44.6	0	0	111.7	T359 D365 Q367 L371 C372 L373	T359-Q369 HydrophobicContact CG2-CG 4.13Å; D365-Q369 WeakPolarHBondContact O-CB 3.2Å; D365-Q369 PolarHBondContact O-N 3.35Å; Q367-Q369 VanDerWaalsContact C-N 3.32Å; Q367-Q369 PolarHBondContact O-N 2.78Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-L371 PolarHBondContact O-N 2.9Å; Q369-C372 PolarHBondContact O-N 2.91Å; Q369-L373 WeakPolarHBondContact O-CB 3.42Å; Q369-L373 PolarHBondContact O-N 3.1Å
370	E	91.4	Very high	90.9	Very high	128 Å²	128	53.6 Å²	53.6	60%	0.598	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-41.7	175.7	-78.2	-180	-178.6	0	0	112	S366 Q367 L373 Y374	S366-E370 WeakPolarHBondContact O-CB 3.46Å; S366-E370 WeakPolarHBondContact O-CG 3.24Å; S366-E370 PolarHBondContact O-N 2.8Å; Q367-E370 PolarHBondContact O-N 3.44Å; E370-L373 PolarHBondContact O-N 2.98Å; E370-Y374 WeakPolarHBondContact O-CB 3.45Å; E370-Y374 PolarHBondContact O-N 3.03Å
371	L	92.4	Very high	91.2	Very high	18 Å²	18	52.2 Å²	52.2	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-50.5	174.7	-179.9	65.5	0	0	0	111.8	L295 T330 I333 Q367 A368 Q369 L373 Y374 L375	L295-L371 HydrophobicContact CD1-CD1 3.52Å; L295-L371 HydrophobicContact CD2-CD1 4.02Å; L295-L371 HydrophobicContact CG-CD1 4.42Å; T330-L371 HydrophobicContact CG2-CD2 4.38Å; I333-L371 HydrophobicContact CB-CD2 4.14Å; I333-L371 HydrophobicContact CD1-CD2 4.24Å; I333-L371 HydrophobicContact CG2-CD2 4.07Å; Q367-L371 WeakPolarHBondContact O-CB 3.24Å; Q367-L371 PolarHBondContact O-N 2.95Å; Q367-L371 VanDerWaalsContact O-N 3.09Å; A368-L371 PolarHBondContact O-N 3.46Å; Q369-L371 VanDerWaalsContact C-N 3.33Å; Q369-L371 PolarHBondContact O-N 2.9Å; L371-L373 VanDerWaalsContact C-N 3.31Å; L371-L373 PolarHBondContact O-N 3.04Å; L371-Y374 PolarHBondContact O-N 3.37Å; L371-L375 HydrophobicContact CG-CD1 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.33Å; L371-L375 PolarHBondContact O-N 3.06Å
372	C	92.4	Very high	91.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-36.6	178.8	-65.7	0	0	0	0	111.9	T359 A368 Q369 L375 T376	T359-C372 HydrophobicContact CG2-CB 4.31Å; T359-C372 WeakPolarHBondContact OG1-CB 3.33Å; A368-C372 PolarHBondContact O-N 2.64Å; A368-C372 PolarHBondContact O-SG 3.04Å; Q369-C372 PolarHBondContact O-N 2.91Å; C372-L375 PolarHBondContact O-N 2.78Å; C372-T376 WeakPolarHBondContact O-CB 3.49Å; C372-T376 PolarHBondContact O-N 3.49Å; C372-T376 PolarHBondContact O-OG1 3.35Å
373	L	92.5	Very high	91.6	Very high	34 Å²	34	45 Å²	45	18%	0.178	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-43.3	175.4	178.5	59.6	0	0	0	111.4	T359 Q369 E370 L371 T376 K377 Y473 L475	T359-L373 HydrophobicContact CG2-CB 4.43Å; Q369-L373 WeakPolarHBondContact O-CB 3.42Å; Q369-L373 PolarHBondContact O-N 3.1Å; E370-L373 PolarHBondContact O-N 2.98Å; L371-L373 VanDerWaalsContact C-N 3.31Å; L371-L373 PolarHBondContact O-N 3.04Å; L373-T376 PolarHBondContact O-N 2.99Å; L373-K377 HydrophobicContact CD1-CD 4.36Å; L373-K377 HydrophobicContact CD1-CG 4.29Å; L373-K377 HydrophobicContact CG-CD 4.32Å; L373-K377 WeakPolarHBondContact O-CB 3.37Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 3.3Å; L373-K377 PolarHBondContact O-N 2.9Å; L373-Y473 HydrophobicContact CD1-CD1 4.11Å; L373-Y473 HydrophobicContact CD1-CE1 3.64Å; L373-L475 HydrophobicContact CD1-CB 4.2Å
374	Y	93.9	Very high	92	Very high	100 Å²	100	41.1 Å²	41.1	39%	0.392	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-48.7	174.7	170.3	-104.5	0	0	0	111.5	A291 L295 E370 L371 T376 K377 A378	A291-Y374 HydrophobicContact CB-CE1 4.23Å; L295-Y374 HydrophobicContact CD1-CD1 4.42Å; L295-Y374 HydrophobicContact CD1-CE1 4.37Å; L295-Y374 HydrophobicContact CD2-CE1 4.38Å; L295-Y374 HydrophobicContact CG-CE1 4.3Å; E370-Y374 WeakPolarHBondContact O-CB 3.45Å; E370-Y374 PolarHBondContact O-N 3.03Å; L371-Y374 PolarHBondContact O-N 3.37Å; Y374-T376 PolarHBondContact O-N 2.96Å; Y374-K377 PolarHBondContact O-N 3.44Å; Y374-A378 PolarHBondContact O-N 3.26Å
375	L	93.9	Very high	92.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-43.4	177.1	-67.7	167.6	0	0	0	112	L288 A291 M292 L295 L334 I337 L371 C372 A378 A379	L288-L375 HydrophobicContact CD1-CB 4.16Å; L288-L375 HydrophobicContact CD1-CD2 4.05Å; A291-L375 HydrophobicContact CB-CD2 4.05Å; M292-L375 HydrophobicContact CG-CD2 3.95Å; L295-L375 HydrophobicContact CD1-CD2 3.99Å; L334-L375 HydrophobicContact CD2-CD1 3.61Å; L334-L375 HydrophobicContact CD2-CD2 4.28Å; I337-L375 HydrophobicContact CD1-CD1 3.85Å; L371-L375 HydrophobicContact CG-CD1 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.33Å; L371-L375 PolarHBondContact O-N 3.06Å; C372-L375 PolarHBondContact O-N 2.78Å; L375-A378 PolarHBondContact O-N 3.01Å; L375-A379 VanDerWaalsContact O-CB 3.25Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.22Å
376	T	92.9	Very high	92.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-41.4	179.7	-51.6	0	0	0	0	111.5	L355 T359 C372 L373 Y374 S380 Y473	L355-T376 HydrophobicContact CB-CG2 4.36Å; T359-T376 PolarHBondContact OG1-OG1 3.41Å; C372-T376 WeakPolarHBondContact O-CB 3.49Å; C372-T376 PolarHBondContact O-N 3.49Å; C372-T376 PolarHBondContact O-OG1 3.35Å; L373-T376 PolarHBondContact O-N 2.99Å; Y374-T376 PolarHBondContact O-N 2.96Å; T376-S380 VanDerWaalsContact O-CB 3.24Å; T376-S380 WeakPolarHBondContact O-CB 3.39Å; T376-S380 PolarHBondContact O-N 2.98Å; T376-S380 PolarHBondContact O-OG 3.02Å; T376-Y473 HydrophobicContact CG2-CD1 3.9Å; T376-Y473 HydrophobicContact CG2-CD2 4.22Å; T376-Y473 HydrophobicContact CG2-CE1 3.49Å; T376-Y473 VanDerWaalsContact CG2-CE1 3.49Å; T376-Y473 HydrophobicContact CG2-CE2 3.86Å; T376-Y473 HydrophobicContact CG2-CG 4.23Å; T376-Y473 VanDerWaalsContact CG2-CZ 3.47Å
377	K	93	Very high	92.4	Very high	98 Å²	98	36.7 Å²	36.7	43%	0.426	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-48.6	174.6	-77.3	177.7	178.2	178.5	0	111.2	L373 Y374 S380 V381 Y473	L373-K377 HydrophobicContact CD1-CD 4.36Å; L373-K377 HydrophobicContact CD1-CG 4.29Å; L373-K377 HydrophobicContact CG-CD 4.32Å; L373-K377 WeakPolarHBondContact O-CB 3.37Å; L373-K377 VanDerWaalsContact O-CG 3.3Å; L373-K377 WeakPolarHBondContact O-CG 3.3Å; L373-K377 PolarHBondContact O-N 2.9Å; Y374-K377 PolarHBondContact O-N 3.44Å; K377-S380 PolarHBondContact O-N 2.82Å; K377-S380 PolarHBondContact O-OG 2.72Å; K377-S380 VanDerWaalsContact O-OG 3.06Å; K377-V381 WeakPolarHBondContact O-CG2 3.26Å; K377-Y473 HydrophobicContact CG-CD1 3.82Å
378	A	94	Very high	92.5	Very high	29 Å²	29	32.5 Å²	32.5	24%	0.24	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-44.6	180	0	0	0	0	0	112.4	A291 Y374 L375 S380	A291-A378 HydrophobicContact CB-CB 3.65Å; Y374-A378 PolarHBondContact O-N 3.26Å; L375-A378 PolarHBondContact O-N 3.01Å; A378-S380 VanDerWaalsContact C-N 3.32Å; A378-S380 PolarHBondContact O-N 3.49Å
379	A	94	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-27.1	-178.7	0	0	0	0	0	113.5	V284 L288 L352 L355 L375 P382	V284-A379 HydrophobicContact CG1-CB 4.4Å; L288-A379 HydrophobicContact CB-CB 4.08Å; L288-A379 HydrophobicContact CD1-CB 4.3Å; L352-A379 HydrophobicContact CD2-CB 3.98Å; L355-A379 HydrophobicContact CD1-CB 3.69Å; L375-A379 VanDerWaalsContact O-CB 3.25Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.22Å; A379-P382 WeakPolarHBondContact O-CD 3.49Å
380	S	93.1	Very high	92.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-82.3	-16.7	-177.6	58.4	0	0	0	0	114.5	T376 K377 A378 Y383 F384 Y473	T376-S380 VanDerWaalsContact O-CB 3.24Å; T376-S380 WeakPolarHBondContact O-CB 3.39Å; T376-S380 PolarHBondContact O-N 2.98Å; T376-S380 PolarHBondContact O-OG 3.02Å; K377-S380 PolarHBondContact O-N 2.82Å; K377-S380 PolarHBondContact O-OG 2.72Å; K377-S380 VanDerWaalsContact O-OG 3.06Å; A378-S380 VanDerWaalsContact C-N 3.32Å; A378-S380 PolarHBondContact O-N 3.49Å; S380-Y383 PolarHBondContact O-N 2.88Å; S380-F384 VanDerWaalsContact O-CD2 3.27Å; S380-F384 WeakPolarHBondContact O-CD2 3.43Å; S380-F384 PolarHBondContact O-N 3.3Å; S380-Y473 VanDerWaalsContact OG-CB 3.28Å; S380-Y473 WeakPolarHBondContact OG-CB 3.5Å
381	V	93.5	Very high	92.5	Very high	68 Å²	68	27.9 Å²	27.9	41%	0.412	14%	0.137	S	C	.	.	H	α-helix	trans	-53.3	-52.3	-179	178.8	0	0	0	0	112.7	K377 Y383 F384 E385	K377-V381 WeakPolarHBondContact O-CG2 3.26Å; V381-Y383 VanDerWaalsContact C-N 3.27Å; V381-Y383 PolarHBondContact O-N 3.42Å; V381-F384 PolarHBondContact O-N 3.33Å; V381-E385 HydrophobicContact CG1-CG 4.45Å; V381-E385 WeakPolarHBondContact O-CG 3.08Å; V381-E385 PolarHBondContact O-N 3.39Å
382	P	93	Very high	92.4	Very high	18 Å²	18	27.9 Å²	27.9	12%	0.117	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-35.7	-178.7	-19.7	32.6	0	0	0	112.7	Q283 A287 A379 E385 I386	Q283-P382 HydrophobicContact CB-CB 3.79Å; Q283-P382 HydrophobicContact CB-CG 4.37Å; A287-P382 HydrophobicContact CB-CG 3.66Å; A379-P382 WeakPolarHBondContact O-CD 3.49Å; P382-E385 PolarHBondContact O-N 2.83Å; P382-I386 WeakPolarHBondContact O-CG1 3.19Å; P382-I386 PolarHBondContact O-N 3.4Å
383	Y	92.8	Very high	92	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-41.7	179	-162.3	-81.3	0	0	0	111.4	V284 L352 S380 V381 I386 L387 E402 F403 M404 R434 P436 L439	V284-Y383 HydrophobicContact CG2-CD2 4.19Å; L352-Y383 HydrophobicContact CD1-CD1 4.26Å; L352-Y383 HydrophobicContact CD1-CD2 3.89Å; L352-Y383 HydrophobicContact CD1-CG 3.68Å; S380-Y383 PolarHBondContact O-N 2.88Å; V381-Y383 VanDerWaalsContact C-N 3.27Å; V381-Y383 PolarHBondContact O-N 3.42Å; Y383-I386 PolarHBondContact O-N 3.36Å; Y383-L387 PolarHBondContact O-N 2.96Å; Y383-E402 WeakPolarHBondContact CE2-O 3.39Å; Y383-F403 HydrophobicContact CE1-CD2 4.13Å; Y383-F403 HydrophobicContact CE1-CE2 4.2Å; Y383-F403 HydrophobicContact CE2-CD2 4.49Å; Y383-M404 HydrophobicContact CE1-CE 3.9Å; Y383-M404 WeakPolarHBondContact OH-CB 3.27Å; Y383-M404 WeakPolarHBondContact OH-CE 3.28Å; Y383-M404 PolarHBondContact OH-N 3.2Å; Y383-R434 PolarHBondContact OH-O 3.05Å; Y383-P436 HydrophobicContact CD1-CG 4.33Å; Y383-P436 HydrophobicContact CE1-CG 3.76Å; Y383-P436 HydrophobicContact CE2-CG 4.3Å; Y383-P436 WeakPolarHBondContact OH-CD 3.24Å; Y383-L439 HydrophobicContact CE1-CD1 4.23Å
384	F	92.3	Very high	91.7	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-35.2	175.7	-80.8	-65.4	0	0	0	112.5	S380 V381 I386 L387 E388 F438 V471	S380-F384 VanDerWaalsContact O-CD2 3.27Å; S380-F384 WeakPolarHBondContact O-CD2 3.43Å; S380-F384 PolarHBondContact O-N 3.3Å; V381-F384 PolarHBondContact O-N 3.33Å; F384-I386 VanDerWaalsContact C-N 3.28Å; F384-I386 PolarHBondContact O-N 2.89Å; F384-L387 HydrophobicContact CD1-CD2 3.75Å; F384-L387 HydrophobicContact CE1-CD2 3.89Å; F384-L387 CarbonylContact O-C 3.54Å; F384-L387 WeakPolarHBondContact O-CA 3.3Å; F384-L387 WeakPolarHBondContact O-CB 3.42Å; F384-L387 PolarHBondContact O-N 3.45Å; F384-L387 VanDerWaalsContact O-N 3.11Å; F384-E388 WeakPolarHBondContact O-CB 2.94Å; F384-E388 VanDerWaalsContact O-CG 3.3Å; F384-E388 WeakPolarHBondContact O-CG 3.3Å; F384-E388 PolarHBondContact O-N 3.47Å; F384-F438 HydrophobicContact CE2-CE2 4.41Å; F384-F438 AromaticContact CZ-CE2 3.87Å; F384-F438 HydrophobicContact CZ-CE2 3.87Å; F384-F438 HydrophobicContact CZ-CZ 4.42Å; F384-V471 WeakPolarHBondContact CB-O 3.47Å; F384-V471 HydrophobicContact CD1-CB 3.81Å; F384-V471 HydrophobicContact CD1-CG1 3.39Å; F384-V471 HydrophobicContact CE1-CB 4.35Å; F384-V471 HydrophobicContact CE1-CG1 3.43Å; F384-V471 VanDerWaalsContact CE1-CG1 3.43Å; F384-V471 HydrophobicContact CG-CB 4.46Å; F384-V471 HydrophobicContact CG-CG1 4.34Å; F384-V471 WeakPolarHBondContact CG-O 3.4Å; F384-V471 HydrophobicContact CZ-CG1 4.4Å
385	E	91.4	Very high	91.4	Very high	91 Å²	91	30.6 Å²	30.6	43%	0.425	15%	0.147	S	C	.	.	H	α-helix	trans	-62	-35.1	173.5	-74.4	-175.6	-163.1	0	0	113.2	V381 P382 K389	V381-E385 HydrophobicContact CG1-CG 4.45Å; V381-E385 WeakPolarHBondContact O-CG 3.08Å; V381-E385 PolarHBondContact O-N 3.39Å; P382-E385 PolarHBondContact O-N 2.83Å; E385-K389 WeakPolarHBondContact O-CD 3.43Å; E385-K389 WeakPolarHBondContact O-CG 3.41Å; E385-K389 PolarHBondContact O-N 3.49Å
386	I	91.1	Very high	91	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-69.8	-44.4	173.2	-61.1	166.4	0	0	0	109.4	P382 Y383 F384 E388 K389 W390 F403	P382-I386 WeakPolarHBondContact O-CG1 3.19Å; P382-I386 PolarHBondContact O-N 3.4Å; Y383-I386 PolarHBondContact O-N 3.36Å; F384-I386 VanDerWaalsContact C-N 3.28Å; F384-I386 PolarHBondContact O-N 2.89Å; I386-E388 PolarHBondContact O-N 3.46Å; I386-K389 PolarHBondContact O-N 3.16Å; I386-W390 PolarHBondContact O-N 3.4Å; I386-F403 HydrophobicContact CB-CD2 4.22Å; I386-F403 HydrophobicContact CG2-CB 4.01Å; I386-F403 HydrophobicContact CG2-CD1 4.17Å; I386-F403 HydrophobicContact CG2-CD2 3.63Å; I386-F403 HydrophobicContact CG2-CE2 4.12Å; I386-F403 HydrophobicContact CG2-CG 3.68Å
387	L	92.1	Very high	90.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-43.4	177.8	-174.5	64.4	0	0	0	112.3	Y383 F384 K389 W390 I391 F403 L439 I446 I484	Y383-L387 PolarHBondContact O-N 2.96Å; F384-L387 HydrophobicContact CD1-CD2 3.75Å; F384-L387 HydrophobicContact CE1-CD2 3.89Å; F384-L387 CarbonylContact O-C 3.54Å; F384-L387 WeakPolarHBondContact O-CA 3.3Å; F384-L387 WeakPolarHBondContact O-CB 3.42Å; F384-L387 PolarHBondContact O-N 3.45Å; F384-L387 VanDerWaalsContact O-N 3.11Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 3.14Å; L387-W390 WeakPolarHBondContact O-CB 2.95Å; L387-W390 PolarHBondContact O-N 3.01Å; L387-I391 HydrophobicContact CD1-CD1 3.59Å; L387-I391 HydrophobicContact CD1-CG1 3.91Å; L387-I391 HydrophobicContact CD2-CD1 4.18Å; L387-I391 HydrophobicContact CG-CD1 3.67Å; L387-I391 HydrophobicContact CG-CG1 4.2Å; L387-I391 WeakPolarHBondContact O-CB 3.34Å; L387-I391 WeakPolarHBondContact O-CG1 3.37Å; L387-I391 PolarHBondContact O-N 3.43Å; L387-F403 HydrophobicContact CB-CE2 4.07Å; L387-F403 HydrophobicContact CD1-CE2 3.87Å; L387-F403 HydrophobicContact CD1-CZ 3.76Å; L387-L439 HydrophobicContact CD2-CD1 4.34Å; L387-I446 HydrophobicContact CD1-CD1 4.18Å; L387-I446 HydrophobicContact CD1-CG1 4.36Å; L387-I446 HydrophobicContact CD1-CG2 3.49Å; L387-I446 VanDerWaalsContact CD1-CG2 3.49Å; L387-I484 HydrophobicContact CD2-CD1 4.48Å
388	E	91.1	Very high	90.2	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-42.5	177.8	-76	175.8	-172	0	0	111.7	F384 I386 W390 Y392 E470 V471	F384-E388 WeakPolarHBondContact O-CB 2.94Å; F384-E388 VanDerWaalsContact O-CG 3.3Å; F384-E388 WeakPolarHBondContact O-CG 3.3Å; F384-E388 PolarHBondContact O-N 3.47Å; I386-E388 PolarHBondContact O-N 3.46Å; E388-W390 VanDerWaalsContact C-N 3.32Å; E388-W390 PolarHBondContact O-N 2.85Å; E388-Y392 HydrophobicContact CB-CD2 4.01Å; E388-Y392 HydrophobicContact CB-CE2 4.22Å; E388-Y392 HydrophobicContact CG-CD2 4.35Å; E388-Y392 HydrophobicContact CG-CE2 4.04Å; E388-Y392 VanDerWaalsContact O-CB 3.23Å; E388-Y392 WeakPolarHBondContact O-CB 3.43Å; E388-Y392 VanDerWaalsContact O-CD2 3.24Å; E388-Y392 WeakPolarHBondContact O-CD2 3.46Å; E388-Y392 PolarHBondContact O-N 3.09Å; E388-E470 VanDerWaalsContact OE1-CA 3.29Å; E388-E470 WeakPolarHBondContact OE1-CA 3.38Å; E388-V471 HydrophobicContact CG-CB 4.31Å; E388-V471 HydrophobicContact CG-CG2 3.95Å; E388-V471 PolarHBondContact OE1-N 3.45Å
389	K	89.8	Confident	89.7	Confident	69 Å²	69	35.6 Å²	35.6	30%	0.3	17%	0.17	S	C	.	.	H	α-helix	trans	-65.6	-37.5	176.3	-69.4	165.1	-172	147.4	0	111.5	E385 I386 L387 R393 G394 I395 K397	E385-K389 WeakPolarHBondContact O-CD 3.43Å; E385-K389 WeakPolarHBondContact O-CG 3.41Å; E385-K389 PolarHBondContact O-N 3.49Å; I386-K389 PolarHBondContact O-N 3.16Å; L387-K389 VanDerWaalsContact C-N 3.34Å; L387-K389 PolarHBondContact O-N 3.14Å; K389-R393 CarbonylContact O-C 3.56Å; K389-R393 WeakPolarHBondContact O-CA 3.49Å; K389-R393 WeakPolarHBondContact O-CB 3.47Å; K389-R393 PolarHBondContact O-N 3.2Å; K389-R393 VanDerWaalsContact O-N 3.1Å; K389-G394 PolarHBondContact O-N 3.3Å; K389-G394 VanDerWaalsContact O-N 3.17Å; K389-I395 CarbonylContact C-O 3.46Å; K389-I395 WeakPolarHBondContact CB-O 3.35Å; K389-I395 PolarHBondContact O-N 2.95Å; K389-K397 HydrophobicContact CD-CB 4.35Å; K389-K397 HydrophobicContact CD-CD 4.29Å
390	W	91.9	Very high	89.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-50.2	176.9	178.2	-111.9	0	0	0	112.1	I386 L387 E388 G394 I395 I396 F403 V405 Y428 I446 G450 N454	I386-W390 PolarHBondContact O-N 3.4Å; L387-W390 WeakPolarHBondContact O-CB 2.95Å; L387-W390 PolarHBondContact O-N 3.01Å; E388-W390 VanDerWaalsContact C-N 3.32Å; E388-W390 PolarHBondContact O-N 2.85Å; W390-G394 WeakPolarHBondContact CZ3-O 3.43Å; W390-G394 WeakPolarHBondContact O-CA 3.07Å; W390-G394 PolarHBondContact O-N 3.27Å; W390-I395 PolarHBondContact N-O 3.07Å; W390-I396 HydrophobicContact CD2-CG1 4.13Å; W390-I396 HydrophobicContact CE3-CD1 3.84Å; W390-I396 HydrophobicContact CE3-CG1 3.25Å; W390-I396 HydrophobicContact CH2-CD1 4.12Å; W390-I396 HydrophobicContact CH2-CG1 4.39Å; W390-I396 HydrophobicContact CZ3-CD1 3.59Å; W390-I396 HydrophobicContact CZ3-CG1 3.41Å; W390-I396 VanDerWaalsContact CZ3-CG1 3.41Å; W390-F403 HydrophobicContact CB-CE1 4.08Å; W390-F403 HydrophobicContact CB-CZ 4.02Å; W390-F403 AromaticContact CD1-CE1 4Å; W390-F403 AromaticContact CD1-CZ 3.94Å; W390-F403 HydrophobicContact CD2-CE1 4.4Å; W390-F403 AromaticContact CG-CE1 3.87Å; W390-F403 HydrophobicContact CG-CE1 3.87Å; W390-F403 HydrophobicContact CG-CZ 4.04Å; W390-V405 HydrophobicContact CH2-CG1 4.24Å; W390-V405 HydrophobicContact CZ2-CG1 3.94Å; W390-V405 HydrophobicContact CZ2-CG2 4.39Å; W390-Y428 AromaticContact CH2-CD1 3.66Å; W390-Y428 HydrophobicContact CH2-CD1 3.66Å; W390-Y428 AromaticContact CH2-CE1 3.75Å; W390-Y428 HydrophobicContact CH2-CE1 3.75Å; W390-Y428 HydrophobicContact CH2-CG 4.09Å; W390-Y428 HydrophobicContact CZ3-CD1 4.24Å; W390-Y428 AromaticContact CZ3-CE1 3.93Å; W390-Y428 HydrophobicContact CZ3-CE1 3.93Å; W390-I446 PolarHBondContact NE1-O 3.24Å; W390-G450 VanDerWaalsContact CE2-CA 3.47Å; W390-G450 VanDerWaalsContact CZ2-CA 3.41Å; W390-N454 WeakPolarHBondContact CZ3-ND2 3.37Å
391	I	91.4	Very high	88.7	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-73.3	-36.1	-175.3	-72.9	-174.7	0	0	0	112.6	L387 I446 T449 L453 I484 A487	L387-I391 HydrophobicContact CD1-CD1 3.59Å; L387-I391 HydrophobicContact CD1-CG1 3.91Å; L387-I391 HydrophobicContact CD2-CD1 4.18Å; L387-I391 HydrophobicContact CG-CD1 3.67Å; L387-I391 HydrophobicContact CG-CG1 4.2Å; L387-I391 WeakPolarHBondContact O-CB 3.34Å; L387-I391 WeakPolarHBondContact O-CG1 3.37Å; L387-I391 PolarHBondContact O-N 3.43Å; I391-I446 HydrophobicContact CD1-CG1 4.23Å; I391-I446 HydrophobicContact CD1-CG2 4.43Å; I391-I446 HydrophobicContact CG1-CG2 4.42Å; I391-T449 HydrophobicContact CG2-CG2 4.19Å; I391-L453 WeakPolarHBondContact O-CD1 3.12Å; I391-I484 HydrophobicContact CD1-CB 4.45Å; I391-I484 HydrophobicContact CD1-CG1 3.83Å; I391-I484 HydrophobicContact CD1-CG2 4.22Å; I391-A487 HydrophobicContact CG2-CB 3.1Å
392	Y	89.4	Confident	88.4	Confident	18 Å²	18	34.4 Å²	34.4	7%	0.071	16%	0.162	C	C	.	.	H	α-helix	trans	-95.4	-20.5	-176.4	-61.2	-50.4	0	0	0	114.4	E388 C465 A468 K469 A487	E388-Y392 HydrophobicContact CB-CD2 4.01Å; E388-Y392 HydrophobicContact CB-CE2 4.22Å; E388-Y392 HydrophobicContact CG-CD2 4.35Å; E388-Y392 HydrophobicContact CG-CE2 4.04Å; E388-Y392 VanDerWaalsContact O-CB 3.23Å; E388-Y392 WeakPolarHBondContact O-CB 3.43Å; E388-Y392 VanDerWaalsContact O-CD2 3.24Å; E388-Y392 WeakPolarHBondContact O-CD2 3.46Å; E388-Y392 PolarHBondContact O-N 3.09Å; Y392-C465 HydrophobicContact CD1-CB 3.64Å; Y392-C465 HydrophobicContact CE1-CB 4.48Å; Y392-C465 HydrophobicContact CG-CB 4.35Å; Y392-C465 PolarHBondContact O-N 2.89Å; Y392-A468 HydrophobicContact CD2-CB 4.21Å; Y392-A468 HydrophobicContact CE2-CB 4.45Å; Y392-A468 HydrophobicContact CG-CB 4.28Å; Y392-K469 WeakPolarHBondContact CE2-O 3.39Å; Y392-K469 PolarHBondContact OH-N 2.88Å; Y392-K469 PolarHBondContact OH-O 3.49Å; Y392-A487 HydrophobicContact CD1-CB 4.28Å; Y392-A487 HydrophobicContact CE1-CB 3.94Å
393	R	85.2	Confident	88.3	Confident	139 Å²	139	33.6 Å²	33.6	53%	0.525	16%	0.156	S	C	.	.	H	α-helix	trans	-132.8	-10.6	-175.8	-51.8	-174.8	-175.4	-171.6	1.7	114.4	K389 I395 R457	K389-R393 CarbonylContact O-C 3.56Å; K389-R393 WeakPolarHBondContact O-CA 3.49Å; K389-R393 WeakPolarHBondContact O-CB 3.47Å; K389-R393 PolarHBondContact O-N 3.2Å; K389-R393 VanDerWaalsContact O-N 3.1Å; R393-I395 VanDerWaalsContact C-N 3.26Å; R393-I395 HydrophobicContact CB-CD1 4.16Å; R393-I395 HydrophobicContact CB-CG1 4.07Å; R393-I395 PolarHBondContact O-N 3.34Å; R393-R457 VanDerWaalsContact O-CD 3.24Å; R393-R457 WeakPolarHBondContact O-CD 3.01Å; R393-R457 PolarHBondContact O-NH1 3.06Å
394	G	86.4	Confident	88.2	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.021	16%	0.156	C	C	.	.			trans	73.1	8.5	-174.1	0	0	0	0	0	115.1	K389 W390 N454	K389-G394 PolarHBondContact O-N 3.3Å; K389-G394 VanDerWaalsContact O-N 3.17Å; W390-G394 WeakPolarHBondContact CZ3-O 3.43Å; W390-G394 WeakPolarHBondContact O-CA 3.07Å; W390-G394 PolarHBondContact O-N 3.27Å; G394-N454 VanDerWaalsContact O-CG 3.28Å; G394-N454 PolarHBondContact O-ND2 3.12Å; G394-N454 PolarHBondContact O-OD1 3.24Å
395	I	86.8	Confident	88.1	Confident	51 Å²	51	33.4 Å²	33.4	26%	0.262	16%	0.156	S	C	.	.			trans	-99.9	125	-174.2	-49.7	173.4	0	0	0	110.3	K389 W390 R393 K397	K389-I395 CarbonylContact C-O 3.46Å; K389-I395 WeakPolarHBondContact CB-O 3.35Å; K389-I395 PolarHBondContact O-N 2.95Å; W390-I395 PolarHBondContact N-O 3.07Å; R393-I395 VanDerWaalsContact C-N 3.26Å; R393-I395 HydrophobicContact CB-CD1 4.16Å; R393-I395 HydrophobicContact CB-CG1 4.07Å; R393-I395 PolarHBondContact O-N 3.34Å; I395-K397 HydrophobicContact CG2-CG 3.98Å
396	I	86.8	Confident	87.9	Confident	36 Å²	36	31.1 Å²	31.1	19%	0.185	15%	0.145	C	C	.	.			trans	-90.7	114.3	170.2	-52.4	178.6	0	0	0	108.5	W390 D398 V405 E407 Y428	W390-I396 HydrophobicContact CD2-CG1 4.13Å; W390-I396 HydrophobicContact CE3-CD1 3.84Å; W390-I396 HydrophobicContact CE3-CG1 3.25Å; W390-I396 HydrophobicContact CH2-CD1 4.12Å; W390-I396 HydrophobicContact CH2-CG1 4.39Å; W390-I396 HydrophobicContact CZ3-CD1 3.59Å; W390-I396 HydrophobicContact CZ3-CG1 3.41Å; W390-I396 VanDerWaalsContact CZ3-CG1 3.41Å; I396-D398 HydrophobicContact CG2-CB 3.93Å; I396-V405 HydrophobicContact CD1-CB 4.32Å; I396-V405 HydrophobicContact CD1-CG1 3.94Å; I396-E407 HydrophobicContact CD1-CB 4.32Å; I396-Y428 HydrophobicContact CD1-CD1 3.99Å; I396-Y428 HydrophobicContact CD1-CE1 3.84Å
397	K	83.9	Confident	87.5	Confident	128 Å²	128	35.2 Å²	35.2	56%	0.557	16%	0.164	S	C	*	.			trans	-114.9	79.1	170.6	-68.6	-167.7	-179.6	-175	0	109.1	K389 I395	K389-K397 HydrophobicContact CD-CB 4.35Å; K389-K397 HydrophobicContact CD-CD 4.29Å; I395-K397 HydrophobicContact CG2-CG 3.98Å
398	D	85.1	Confident	87	Confident	20 Å²	20	38.7 Å²	38.7	11%	0.107	18%	0.18	C	C	.	.			trans	-127.2	89.5	-176.5	-176.8	7.1	0	0	0	111.8	N166 I396 Y400 S401 E402 F403	N166-D398 PolarHBondContact ND2-O 3.14Å; I396-D398 HydrophobicContact CG2-CB 3.93Å; D398-Y400 PolarHBondContact O-N 3.46Å; D398-Y400 PolarHBondContact OD1-N 3.45Å; D398-S401 VanDerWaalsContact CG-N 3.29Å; D398-S401 PolarHBondContact OD1-N 3.38Å; D398-S401 WeakPolarHBondContact OD2-CA 3.47Å; D398-S401 PolarHBondContact OD2-N 3.21Å; D398-E402 PolarHBondContact OD1-N 3.34Å; D398-E402 PolarHBondContact OD2-N 2.97Å; D398-F403 HydrophobicContact CB-CB 4.4Å; D398-F403 VanDerWaalsContact OD2-CB 3.3Å; D398-F403 WeakPolarHBondContact OD2-CB 3.34Å; D398-F403 PolarHBondContact OD2-N 3.43Å
399	P	82.9	Confident	85.8	Confident	49 Å²	49	44.5 Å²	44.5	32%	0.318	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.2	178.9	-21.4	33.7	0	0	0	113.9	N166 N171	N166-P399 PolarHBondContact ND2-O 3.04Å; N171-P399 PolarHBondContact ND2-O 3.45Å; N171-P399 PolarHBondContact OD1-O 3.22Å
400	Y	82.3	Confident	84.6	Confident	17 Å²	17	43.4 Å²	43.4	7%	0.067	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	4.5	-171.2	-56.8	-74.8	0	0	0	113.2	H162 N171 F279 Q283 D398 E402	H162-Y400 VanDerWaalsContact CD2-C 3.48Å; H162-Y400 PolarHBondContact CD2-O 2.96Å; H162-Y400 PolarHBondContact NE2-O 3.46Å; N171-Y400 HydrophobicContact CB-CE1 4.21Å; N171-Y400 WeakPolarHBondContact ND2-CD1 3.41Å; F279-Y400 HydrophobicContact CB-CE1 4.31Å; F279-Y400 WeakPolarHBondContact CD1-OH 3.34Å; F279-Y400 WeakPolarHBondContact O-CD1 3.47Å; F279-Y400 WeakPolarHBondContact O-CE1 3.34Å; Q283-Y400 HydrophobicContact CG-CD2 3.7Å; Q283-Y400 HydrophobicContact CG-CE2 3.76Å; D398-Y400 PolarHBondContact O-N 3.46Å; D398-Y400 PolarHBondContact OD1-N 3.45Å; Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.24Å
401	S	84.4	Confident	82.7	Confident	19 Å²	19	49.2 Å²	49.2	13%	0.133	23%	0.231	C	C	.	.			trans	52.9	46.5	-180	-63.1	0	0	0	0	112.5	D398 R434	D398-S401 VanDerWaalsContact CG-N 3.29Å; D398-S401 PolarHBondContact OD1-N 3.38Å; D398-S401 WeakPolarHBondContact OD2-CA 3.47Å; D398-S401 PolarHBondContact OD2-N 3.21Å; S401-R434 PolarHBondContact O-NE 3.38Å; S401-R434 PolarHBondContact O-NH1 2.76Å; S401-R434 PolarHBondContact O-NH2 3.13Å; S401-R434 VanDerWaalsContact O-NH2 3.14Å
402	E	86.7	Confident	81	Confident	8 Å²	8	55 Å²	55	4%	0.037	26%	0.257	C	S	.	.			trans	-93	-21.1	176.7	-67.7	-175.4	112.5	0	0	113.2	G282 Q283 V284 G348 Y383 D398 Y400	G282-E402 VanDerWaalsContact C-OE1 3.27Å; G282-E402 VanDerWaalsContact CA-CD 3.46Å; G282-E402 WeakPolarHBondContact CA-OE1 3.33Å; Q283-E402 WeakPolarHBondContact CB-OE2 3.47Å; Q283-E402 VanDerWaalsContact N-CD 3.29Å; Q283-E402 PolarHBondContact N-OE1 3.07Å; Q283-E402 PolarHBondContact N-OE2 3.42Å; V284-E402 PolarHBondContact N-OE1 3.12Å; G348-E402 PolarHBondContact N-OE1 2.96Å; Y383-E402 WeakPolarHBondContact CE2-O 3.39Å; D398-E402 PolarHBondContact OD1-N 3.34Å; D398-E402 PolarHBondContact OD2-N 2.97Å; Y400-E402 VanDerWaalsContact C-N 3.3Å; Y400-E402 PolarHBondContact O-N 3.24Å
403	F	91.3	Very high	79.1	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-72.7	154.5	-174.9	-166.2	-122.8	0	0	0	112.2	Y383 I386 L387 W390 D398 V405 R434	Y383-F403 HydrophobicContact CE1-CD2 4.13Å; Y383-F403 HydrophobicContact CE1-CE2 4.2Å; Y383-F403 HydrophobicContact CE2-CD2 4.49Å; I386-F403 HydrophobicContact CB-CD2 4.22Å; I386-F403 HydrophobicContact CG2-CB 4.01Å; I386-F403 HydrophobicContact CG2-CD1 4.17Å; I386-F403 HydrophobicContact CG2-CD2 3.63Å; I386-F403 HydrophobicContact CG2-CE2 4.12Å; I386-F403 HydrophobicContact CG2-CG 3.68Å; L387-F403 HydrophobicContact CB-CE2 4.07Å; L387-F403 HydrophobicContact CD1-CE2 3.87Å; L387-F403 HydrophobicContact CD1-CZ 3.76Å; W390-F403 HydrophobicContact CB-CE1 4.08Å; W390-F403 HydrophobicContact CB-CZ 4.02Å; W390-F403 AromaticContact CD1-CE1 4Å; W390-F403 AromaticContact CD1-CZ 3.94Å; W390-F403 HydrophobicContact CD2-CE1 4.4Å; W390-F403 AromaticContact CG-CE1 3.87Å; W390-F403 HydrophobicContact CG-CE1 3.87Å; W390-F403 HydrophobicContact CG-CZ 4.04Å; D398-F403 HydrophobicContact CB-CB 4.4Å; D398-F403 VanDerWaalsContact OD2-CB 3.3Å; D398-F403 WeakPolarHBondContact OD2-CB 3.34Å; D398-F403 PolarHBondContact OD2-N 3.43Å; F403-V405 VanDerWaalsContact C-N 3.32Å; F403-V405 HydrophobicContact CD1-CB 3.8Å; F403-V405 HydrophobicContact CD1-CG2 4.25Å; F403-V405 HydrophobicContact CE1-CB 3.69Å; F403-V405 HydrophobicContact CE1-CG2 3.71Å; F403-V405 HydrophobicContact CZ-CG2 4.47Å; F403-V405 PolarHBondContact O-N 3.34Å; F403-R434 WeakPolarHBondContact O-CD 3.17Å
404	M	90.5	Very high	77.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-69.6	-27.6	-179.2	65.1	-180	77	0	0	113.6	Y383 I430 V431 I435 L439 I446	Y383-M404 HydrophobicContact CE1-CE 3.9Å; Y383-M404 WeakPolarHBondContact OH-CB 3.27Å; Y383-M404 WeakPolarHBondContact OH-CE 3.28Å; Y383-M404 PolarHBondContact OH-N 3.2Å; M404-I430 WeakPolarHBondContact O-CA 3.41Å; M404-V431 PolarHBondContact O-N 3.47Å; M404-I435 HydrophobicContact CB-CG1 3.99Å; M404-L439 HydrophobicContact CE-CB 4.12Å; M404-L439 HydrophobicContact CE-CD1 3.65Å; M404-I446 HydrophobicContact CE-CD1 4.18Å; M404-I446 HydrophobicContact SD-CB 4.49Å; M404-I446 HydrophobicContact SD-CD1 4.16Å; M404-I446 HydrophobicContact SD-CG2 4.18Å
405	V	90.3	Very high	75.6	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.5	177.3	-174.3	0	0	0	0	108.9	W390 I396 F403 Y428 L447	W390-V405 HydrophobicContact CH2-CG1 4.24Å; W390-V405 HydrophobicContact CZ2-CG1 3.94Å; W390-V405 HydrophobicContact CZ2-CG2 4.39Å; I396-V405 HydrophobicContact CD1-CB 4.32Å; I396-V405 HydrophobicContact CD1-CG1 3.94Å; F403-V405 VanDerWaalsContact C-N 3.32Å; F403-V405 HydrophobicContact CD1-CB 3.8Å; F403-V405 HydrophobicContact CD1-CG2 4.25Å; F403-V405 HydrophobicContact CE1-CB 3.69Å; F403-V405 HydrophobicContact CE1-CG2 3.71Å; F403-V405 HydrophobicContact CZ-CG2 4.47Å; F403-V405 PolarHBondContact O-N 3.34Å; V405-Y428 HydrophobicContact CG1-CD1 4Å; V405-L447 HydrophobicContact CB-CD1 4.4Å; V405-L447 HydrophobicContact CG1-CD1 3.66Å; V405-L447 HydrophobicContact CG2-CD1 3.89Å
406	E	86.1	Confident	73.7	Confident	43 Å²	43	72.2 Å²	72.2	20%	0.201	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.3	171.1	67.6	-176.5	163.7	0	0	111.1	K165 H408 Y428 T429 V431	K165-E406 IonicContact NZ-OE2 2.67Å; K165-E406 PolarHBondContact NZ-OE2 2.98Å; E406-H408 VanDerWaalsContact CD-CE1 3.45Å; E406-H408 IonicContact OE1-CE1 3.33Å; E406-H408 PolarHBondContact OE1-CE1 2.96Å; E406-H408 VanDerWaalsContact OE1-CE1 3.3Å; E406-H408 IonicContact OE1-NE2 2.61Å; E406-Y428 WeakPolarHBondContact O-CA 3.04Å; E406-T429 WeakPolarHBondContact CG-OG1 3.37Å; E406-T429 PolarHBondContact N-O 3.17Å; E406-T429 PolarHBondContact O-N 3.5Å; E406-T429 PolarHBondContact OE1-OG1 3.41Å; E406-V431 HydrophobicContact CB-CG2 4.14Å; E406-V431 HydrophobicContact CG-CG2 3.74Å; E406-V431 WeakPolarHBondContact OE1-CG2 3.42Å
407	E	83.9	Confident	71.9	Confident	89 Å²	89	79.6 Å²	79.6	42%	0.416	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.7	173.3	-176	165.1	-164	0	0	110.1	I396 R427 Y428	I396-E407 HydrophobicContact CD1-CB 4.32Å; E407-R427 CarbonylContact C-O 3.42Å; E407-R427 VanDerWaalsContact CA-O 3.3Å; E407-R427 WeakPolarHBondContact CA-O 3.24Å; E407-R427 HydrophobicContact CG-CG 4.31Å; E407-R427 IonicContact OE1-CZ 3.62Å; E407-R427 IonicContact OE1-NE 3.76Å; E407-R427 PolarHBondContact OE1-NE 2.81Å; E407-R427 VanDerWaalsContact OE1-NE 3.1Å; E407-R427 IonicContact OE1-NH2 2.69Å; E407-R427 PolarHBondContact OE1-NH2 3.21Å; E407-Y428 HydrophobicContact CB-CD1 4.23Å; E407-Y428 HydrophobicContact CB-CE1 3.87Å; E407-Y428 HydrophobicContact CG-CD1 4.44Å; E407-Y428 HydrophobicContact CG-CE1 3.79Å; E407-Y428 PolarHBondContact OE1-OH 3.39Å
408	H	79.9	Confident	70.3	Confident	74 Å²	74	77.2 Å²	77.2	34%	0.343	37%	0.368	S	S	.	.			trans	-102.4	122.8	171.8	-68.3	101.4	0	0	0	110.3	E406 L410 Q426 R427 T429	E406-H408 VanDerWaalsContact CD-CE1 3.45Å; E406-H408 IonicContact OE1-CE1 3.33Å; E406-H408 PolarHBondContact OE1-CE1 2.96Å; E406-H408 VanDerWaalsContact OE1-CE1 3.3Å; E406-H408 IonicContact OE1-NE2 2.61Å; H408-L410 PolarHBondContact O-N 3.26Å; H408-Q426 PolarHBondContact ND1-O 2.95Å; H408-Q426 VanDerWaalsContact ND1-O 3.16Å; H408-R427 PolarHBondContact N-O 2.87Å; H408-T429 PolarHBondContact CE1-OG1 3.49Å; H408-T429 PolarHBondContact ND1-OG1 3.25Å
409	E	67.3	Low	68.6	Low	167 Å²	167	80 Å²	80	78%	0.78	38%	0.377	S	S	*	.			trans	-73.2	91.1	170.3	-68.2	-174.4	174.1	0	0	110.1
410	L	64.2	Low	67.2	Low	46 Å²	46	79 Å²	79	24%	0.241	37%	0.369	C	S	.	.			trans	-83.4	120	170.5	-63.9	171.2	0	0	0	109.1	H408 K412 I415 Y423 Q426	H408-L410 PolarHBondContact O-N 3.26Å; L410-K412 PolarHBondContact O-N 3.1Å; L410-K412 VanDerWaalsContact O-N 3.08Å; L410-I415 HydrophobicContact CB-CD1 4.34Å; L410-Y423 HydrophobicContact CB-CD2 4.06Å; L410-Y423 HydrophobicContact CB-CE2 4.01Å; L410-Y423 HydrophobicContact CD1-CD2 3.95Å; L410-Y423 HydrophobicContact CD1-CE2 4.5Å; L410-Q426 HydrophobicContact CD1-CB 3.75Å
411	Q	53	Low	65.8	Low	122 Å²	122	80.1 Å²	80.1	57%	0.57	38%	0.376	S	S	*	.			trans	-65	110.3	176.9	-69.6	-174.5	-31.4	0	0	109.8	E413 K414	Q411-E413 PolarHBondContact O-N 3.47Å; Q411-K414 PolarHBondContact O-N 3.04Å; Q411-K414 VanDerWaalsContact O-N 3.14Å; Q411-K414 VanDerWaalsContact OE1-CE 3.3Å
412	K	54.6	Low	64.6	Low	125 Å²	125	84.2 Å²	84.2	54%	0.543	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-27.1	176.8	-73.7	-173.2	-179.9	-173.7	0	113.8	L410 Y419	L410-K412 PolarHBondContact O-N 3.1Å; L410-K412 VanDerWaalsContact O-N 3.08Å; K412-Y419 VanDerWaalsContact CA-OH 3.26Å; K412-Y419 WeakPolarHBondContact CA-OH 3.29Å; K412-Y419 WeakPolarHBondContact CB-OH 3.03Å; K412-Y419 WeakPolarHBondContact CG-OH 3.37Å; K412-Y419 WeakPolarHBondContact O-CE2 3.21Å; K412-Y419 PolarHBondContact O-OH 3.48Å
413	E	49.3	Very low	63.5	Low	186 Å²	186	85 Å²	85	87%	0.869	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.6	-174.5	-64	175	171.5	0	0	115.1	Q411	Q411-E413 PolarHBondContact O-N 3.47Å
414	K	47.9	Very low	62.2	Low	162 Å²	162	85.4 Å²	85.4	70%	0.704	40%	0.396	S	S	*	.	S	Bend	trans	-97.2	-5	-173.8	-78	179.8	179	159.3	0	115	Q411	Q411-K414 PolarHBondContact O-N 3.04Å; Q411-K414 VanDerWaalsContact O-N 3.14Å; Q411-K414 VanDerWaalsContact OE1-CE 3.3Å
415	I	50.4	Low	61.2	Low	50 Å²	50	90.6 Å²	90.6	26%	0.256	42%	0.424	S	S	.	.			trans	-112.5	108.1	-176.4	-54.1	177.2	0	0	0	105.2	L410 Y419	L410-I415 HydrophobicContact CB-CD1 4.34Å; I415-Y419 HydrophobicContact CB-CD2 3.93Å; I415-Y419 HydrophobicContact CB-CE2 4.08Å; I415-Y419 HydrophobicContact CG2-CD2 3.95Å; I415-Y419 WeakPolarHBondContact O-CD2 3.25Å; I415-Y419 WeakPolarHBondContact O-CE2 3.45Å
416	Q	47.2	Very low	60.4	Low	173 Å²	173	94.9 Å²	94.9	81%	0.808	44%	0.444	S	S	*	.			trans	-88	137.8	172.9	-71.2	174	-3.4	0	0	108.7	D418	Q416-D418 PolarHBondContact O-N 2.96Å
417	E	49.4	Very low	60	Low	192 Å²	192	94.3 Å²	94.3	90%	0.897	44%	0.44	S	S	*	.	S	Bend	trans	48.3	-28.8	161.8	-66.9	175.5	175.2	0	0	121	Y419	E417-Y419 PolarHBondContact O-N 3.44Å
418	D	50.1	Low	60.1	Low	78 Å²	78	90.3 Å²	90.3	42%	0.417	42%	0.421	S	S	.	.	S	Bend	trans	-73.4	25.8	168.5	-86.3	0.6	0	0	0	112.8	Q416 N420 K422	Q416-D418 PolarHBondContact O-N 2.96Å; D418-N420 PolarHBondContact O-N 2.97Å; D418-K422 IonicContact OD2-NZ 3.89Å; D418-K422 PolarHBondContact OD2-NZ 3.04Å
419	Y	48.5	Very low	60.4	Low	78 Å²	78	88.5 Å²	88.5	31%	0.306	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22	-136.5	-164.5	-112	0	0	0	116.6	K412 I415 E417 Y423	K412-Y419 VanDerWaalsContact CA-OH 3.26Å; K412-Y419 WeakPolarHBondContact CA-OH 3.29Å; K412-Y419 WeakPolarHBondContact CB-OH 3.03Å; K412-Y419 WeakPolarHBondContact CG-OH 3.37Å; K412-Y419 WeakPolarHBondContact O-CE2 3.21Å; K412-Y419 PolarHBondContact O-OH 3.48Å; I415-Y419 HydrophobicContact CB-CD2 3.93Å; I415-Y419 HydrophobicContact CB-CE2 4.08Å; I415-Y419 HydrophobicContact CG2-CD2 3.95Å; I415-Y419 WeakPolarHBondContact O-CD2 3.25Å; I415-Y419 WeakPolarHBondContact O-CE2 3.45Å; E417-Y419 PolarHBondContact O-N 3.44Å; Y419-Y423 WeakPolarHBondContact O-CB 3.02Å
420	N	54.8	Low	61.5	Low	27 Å²	27	83 Å²	83	14%	0.144	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-36.3	-165	-66.2	-26.5	0	0	0	114.8	D418 W424 S623	D418-N420 PolarHBondContact O-N 2.97Å; N420-W424 VanDerWaalsContact O-CD1 3.25Å; N420-W424 PolarHBondContact O-N 3.25Å; N420-S623 WeakPolarHBondContact CB-OG 3.43Å; N420-S623 WeakPolarHBondContact ND2-CB 3.41Å; N420-S623 PolarHBondContact ND2-OG 2.99Å
421	D	52.6	Low	62.6	Low	42 Å²	42	81.4 Å²	81.4	23%	0.225	38%	0.382	C	S	.	.	H	α-helix	trans	-74.1	-52	-176.2	-53.4	-41.2	0	0	0	111.3	Y423 W424 D425 N627 R628	D421-Y423 PolarHBondContact O-N 3.43Å; D421-W424 PolarHBondContact O-N 3.37Å; D421-D425 PolarHBondContact O-N 3.44Å; D421-D425 VanDerWaalsContact O-N 3.13Å; D421-N627 VanDerWaalsContact OD1-CB 3.29Å; D421-N627 WeakPolarHBondContact OD1-CB 3.22Å; D421-N627 WeakPolarHBondContact OD2-CA 3.36Å; D421-N627 WeakPolarHBondContact OD2-CB 3.34Å; D421-R628 PolarHBondContact OD2-N 3.49Å
422	K	59.2	Low	64.3	Low	105 Å²	105	81.3 Å²	81.3	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-33.8	175.3	-69.3	174.8	-175	164.4	0	111.2	D418 Q426	D418-K422 IonicContact OD2-NZ 3.89Å; D418-K422 PolarHBondContact OD2-NZ 3.04Å; K422-Q426 WeakPolarHBondContact O-CB 3.32Å; K422-Q426 WeakPolarHBondContact O-CG 3.42Å; K422-Q426 PolarHBondContact O-N 3.21Å
423	Y	62.4	Low	65.8	Low	23 Å²	23	81.5 Å²	81.5	9%	0.09	39%	0.385	C	S	.	.	H	α-helix	trans	-62.9	-49.6	179.2	176.1	-100.2	0	0	0	111.7	L410 Y419 D421 Q426 R427	L410-Y423 HydrophobicContact CB-CD2 4.06Å; L410-Y423 HydrophobicContact CB-CE2 4.01Å; L410-Y423 HydrophobicContact CD1-CD2 3.95Å; L410-Y423 HydrophobicContact CD1-CE2 4.5Å; Y419-Y423 WeakPolarHBondContact O-CB 3.02Å; D421-Y423 PolarHBondContact O-N 3.43Å; Y423-Q426 PolarHBondContact O-N 3.3Å; Y423-R427 WeakPolarHBondContact O-CA 3.23Å; Y423-R427 WeakPolarHBondContact O-CB 3.35Å; Y423-R427 PolarHBondContact O-N 3.43Å; Y423-R427 PolarHBondContact OH-NH1 3.29Å
424	W	65.5	Low	67.5	Low	10 Å²	10	74.6 Å²	74.6	4%	0.038	35%	0.351	C	S	.	.	H	α-helix	trans	-74.2	-28.8	-179.3	-75	100.7	0	0	0	113.6	N420 D421 Y428 K451 N454 V455 E458 W620 L624	N420-W424 VanDerWaalsContact O-CD1 3.25Å; N420-W424 PolarHBondContact O-N 3.25Å; D421-W424 PolarHBondContact O-N 3.37Å; W424-Y428 AromaticContact CE3-CD2 3.89Å; W424-Y428 HydrophobicContact CE3-CD2 3.89Å; W424-Y428 AromaticContact CE3-CE2 3.91Å; W424-Y428 HydrophobicContact CE3-CE2 3.91Å; W424-Y428 HydrophobicContact CH2-CE2 4.48Å; W424-Y428 AromaticContact CZ3-CD2 3.93Å; W424-Y428 HydrophobicContact CZ3-CD2 3.93Å; W424-Y428 AromaticContact CZ3-CE2 3.5Å; W424-Y428 HydrophobicContact CZ3-CE2 3.5Å; W424-Y428 VanDerWaalsContact CZ3-CE2 3.5Å; W424-K451 WeakPolarHBondContact O-CE 3.18Å; W424-K451 PolarHBondContact O-NZ 3.01Å; W424-N454 HydrophobicContact CH2-CB 3.93Å; W424-N454 HydrophobicContact CZ3-CB 3.88Å; W424-V455 HydrophobicContact CD2-CG2 4.29Å; W424-V455 HydrophobicContact CE3-CG2 4.36Å; W424-V455 HydrophobicContact CH2-CG2 3.82Å; W424-V455 HydrophobicContact CZ2-CG2 3.72Å; W424-V455 HydrophobicContact CZ3-CG2 4.12Å; W424-E458 WeakPolarHBondContact CZ2-OE2 3.21Å; W424-W620 AromaticContact NE1-NE1 3.79Å; W424-L624 HydrophobicContact CB-CD2 4.5Å; W424-L624 HydrophobicContact CG-CD2 4.06Å
425	D	69.6	Low	69.6	Low	108 Å²	108	67.5 Å²	67.5	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-71.5	-37.7	173.3	-74.6	-17.6	0	0	0	112.6	D421 T429 K451	D421-D425 PolarHBondContact O-N 3.44Å; D421-D425 VanDerWaalsContact O-N 3.13Å; D425-T429 WeakPolarHBondContact O-CG2 3.29Å; D425-K451 IonicContact OD1-NZ 3.4Å
426	Q	72.5	Confident	71.5	Confident	92 Å²	92	65.1 Å²	65.1	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-88.9	-27.3	-179.1	-65	173.7	5.8	0	0	112.9	H408 L410 K422 Y423	H408-Q426 PolarHBondContact ND1-O 2.95Å; H408-Q426 VanDerWaalsContact ND1-O 3.16Å; L410-Q426 HydrophobicContact CD1-CB 3.75Å; K422-Q426 WeakPolarHBondContact O-CB 3.32Å; K422-Q426 WeakPolarHBondContact O-CG 3.42Å; K422-Q426 PolarHBondContact O-N 3.21Å; Y423-Q426 PolarHBondContact O-N 3.3Å
427	R	78.3	Confident	73.6	Confident	31 Å²	31	58.8 Å²	58.8	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-46.6	-179.7	179.9	178.1	-177.1	-174.6	2.8	111.9	E407 H408 Y423 E458	E407-R427 CarbonylContact C-O 3.42Å; E407-R427 VanDerWaalsContact CA-O 3.3Å; E407-R427 WeakPolarHBondContact CA-O 3.24Å; E407-R427 HydrophobicContact CG-CG 4.31Å; E407-R427 IonicContact OE1-CZ 3.62Å; E407-R427 IonicContact OE1-NE 3.76Å; E407-R427 PolarHBondContact OE1-NE 2.81Å; E407-R427 VanDerWaalsContact OE1-NE 3.1Å; E407-R427 IonicContact OE1-NH2 2.69Å; E407-R427 PolarHBondContact OE1-NH2 3.21Å; H408-R427 PolarHBondContact N-O 2.87Å; Y423-R427 WeakPolarHBondContact O-CA 3.23Å; Y423-R427 WeakPolarHBondContact O-CB 3.35Å; Y423-R427 PolarHBondContact O-N 3.43Å; Y423-R427 PolarHBondContact OH-NH1 3.29Å; R427-E458 IonicContact CZ-OE1 3.92Å; R427-E458 IonicContact NH1-OE1 3.01Å; R427-E458 PolarHBondContact NH1-OE1 3.39Å; R427-E458 IonicContact NH2-OE1 2.8Å
428	Y	85.7	Confident	75.5	Confident	5 Å²	5	50 Å²	50	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	103.5	177.7	-62.6	-73.2	0	0	0	109.6	W390 I396 V405 E406 E407 W424 K451 N454	W390-Y428 AromaticContact CH2-CD1 3.66Å; W390-Y428 HydrophobicContact CH2-CD1 3.66Å; W390-Y428 AromaticContact CH2-CE1 3.75Å; W390-Y428 HydrophobicContact CH2-CE1 3.75Å; W390-Y428 HydrophobicContact CH2-CG 4.09Å; W390-Y428 HydrophobicContact CZ3-CD1 4.24Å; W390-Y428 AromaticContact CZ3-CE1 3.93Å; W390-Y428 HydrophobicContact CZ3-CE1 3.93Å; I396-Y428 HydrophobicContact CD1-CD1 3.99Å; I396-Y428 HydrophobicContact CD1-CE1 3.84Å; V405-Y428 HydrophobicContact CG1-CD1 4Å; E406-Y428 WeakPolarHBondContact O-CA 3.04Å; E407-Y428 HydrophobicContact CB-CD1 4.23Å; E407-Y428 HydrophobicContact CB-CE1 3.87Å; E407-Y428 HydrophobicContact CG-CD1 4.44Å; E407-Y428 HydrophobicContact CG-CE1 3.79Å; E407-Y428 PolarHBondContact OE1-OH 3.39Å; W424-Y428 AromaticContact CE3-CD2 3.89Å; W424-Y428 HydrophobicContact CE3-CD2 3.89Å; W424-Y428 AromaticContact CE3-CE2 3.91Å; W424-Y428 HydrophobicContact CE3-CE2 3.91Å; W424-Y428 HydrophobicContact CH2-CE2 4.48Å; W424-Y428 AromaticContact CZ3-CD2 3.93Å; W424-Y428 HydrophobicContact CZ3-CD2 3.93Å; W424-Y428 AromaticContact CZ3-CE2 3.5Å; W424-Y428 HydrophobicContact CZ3-CE2 3.5Å; W424-Y428 VanDerWaalsContact CZ3-CE2 3.5Å; Y428-K451 HydrophobicContact CD2-CG 4.2Å; Y428-K451 HydrophobicContact CG-CG 4.49Å; Y428-K451 WeakPolarHBondContact O-CE 3.38Å; Y428-K451 PolarHBondContact O-NZ 3.06Å; Y428-N454 HydrophobicContact CE2-CB 4.49Å; Y428-N454 VanDerWaalsContact CZ-ND2 3.32Å; Y428-N454 PolarHBondContact OH-ND2 2.75Å
429	T	86.6	Confident	77.4	Confident	37 Å²	37	46.2 Å²	46.2	23%	0.227	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.7	178.6	50.9	0	0	0	0	110.5	E406 H408 D425	E406-T429 WeakPolarHBondContact CG-OG1 3.37Å; E406-T429 PolarHBondContact N-O 3.17Å; E406-T429 PolarHBondContact O-N 3.5Å; E406-T429 PolarHBondContact OE1-OG1 3.41Å; H408-T429 PolarHBondContact CE1-OG1 3.49Å; H408-T429 PolarHBondContact ND1-OG1 3.25Å; D425-T429 WeakPolarHBondContact O-CG2 3.29Å
430	I	89.7	Confident	79.4	Confident	50 Å²	50	47.8 Å²	47.8	26%	0.256	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.6	175.4	-161.8	168	0	0	0	111	M404 I435 A443 L447	M404-I430 WeakPolarHBondContact O-CA 3.41Å; I430-I435 HydrophobicContact CD1-CD1 3.59Å; I430-I435 HydrophobicContact CD1-CG1 4.2Å; I430-I435 HydrophobicContact CG1-CD1 3.86Å; I430-I435 HydrophobicContact CG1-CG1 4.24Å; I430-A443 HydrophobicContact CD1-CB 3.66Å; I430-L447 HydrophobicContact CB-CD2 4.42Å
431	V	88.6	Confident	81.1	Confident	13 Å²	13	53.9 Å²	53.9	8%	0.079	26%	0.257	C	S	.	.			trans	-103.9	101	-178.5	-176.2	0	0	0	0	109.8	M404 E406 H433 R434	M404-V431 PolarHBondContact O-N 3.47Å; E406-V431 HydrophobicContact CB-CG2 4.14Å; E406-V431 HydrophobicContact CG-CG2 3.74Å; E406-V431 WeakPolarHBondContact OE1-CG2 3.42Å; V431-H433 VanDerWaalsContact C-N 3.3Å; V431-H433 WeakPolarHBondContact CG1-CE1 3.2Å; V431-H433 VanDerWaalsContact CG1-ND1 3.25Å; V431-H433 WeakPolarHBondContact CG1-ND1 3.32Å; V431-H433 PolarHBondContact O-N 3.41Å; V431-H433 VanDerWaalsContact O-N 3.14Å; V431-R434 HydrophobicContact CB-CB 4.41Å; V431-R434 HydrophobicContact CB-CG 4.29Å; V431-R434 HydrophobicContact CG1-CB 4.36Å; V431-R434 HydrophobicContact CG1-CG 3.81Å; V431-R434 PolarHBondContact O-N 2.84Å
432	Q	87.6	Confident	82.9	Confident	120 Å²	120	52.6 Å²	52.6	56%	0.561	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-53.3	-40.5	-170.7	-166.1	65.5	19	0	0	114.5	R434 I435	Q432-R434 PolarHBondContact O-N 2.91Å; Q432-I435 PolarHBondContact O-N 3.32Å
433	H	85.3	Confident	84.4	Confident	130 Å²	130	47.8 Å²	47.8	60%	0.602	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-72.2	-11.1	-177.4	69.2	-92.6	0	0	0	114.1	V431	V431-H433 VanDerWaalsContact C-N 3.3Å; V431-H433 WeakPolarHBondContact CG1-CE1 3.2Å; V431-H433 VanDerWaalsContact CG1-ND1 3.25Å; V431-H433 WeakPolarHBondContact CG1-ND1 3.32Å; V431-H433 PolarHBondContact O-N 3.41Å; V431-H433 VanDerWaalsContact O-N 3.14Å
434	R	86.9	Confident	85.8	Confident	40 Å²	40	52 Å²	52	15%	0.151	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-104.4	1.6	-179.5	-59.7	179.1	-171.7	-179.5	-16	113	G349 Y383 S401 F403 V431 Q432 P436	G349-R434 WeakPolarHBondContact CA-O 3.41Å; Y383-R434 PolarHBondContact OH-O 3.05Å; S401-R434 PolarHBondContact O-NE 3.38Å; S401-R434 PolarHBondContact O-NH1 2.76Å; S401-R434 PolarHBondContact O-NH2 3.13Å; S401-R434 VanDerWaalsContact O-NH2 3.14Å; F403-R434 WeakPolarHBondContact O-CD 3.17Å; V431-R434 HydrophobicContact CB-CB 4.41Å; V431-R434 HydrophobicContact CB-CG 4.29Å; V431-R434 HydrophobicContact CG1-CB 4.36Å; V431-R434 HydrophobicContact CG1-CG 3.81Å; V431-R434 PolarHBondContact O-N 2.84Å; Q432-R434 PolarHBondContact O-N 2.91Å; R434-P436 WeakPolarHBondContact O-CD 3.11Å
435	I	90.9	Very high	86.9	Confident	13 Å²	13	55.2 Å²	55.2	7%	0.067	27%	0.268	C	S	.	.	S	Bend	trans	-80.1	119.9	176.5	-57.3	173.9	0	0	0	107.8	M404 I430 Q432 S437 Q440 A443	M404-I435 HydrophobicContact CB-CG1 3.99Å; I430-I435 HydrophobicContact CD1-CD1 3.59Å; I430-I435 HydrophobicContact CD1-CG1 4.2Å; I430-I435 HydrophobicContact CG1-CD1 3.86Å; I430-I435 HydrophobicContact CG1-CG1 4.24Å; Q432-I435 PolarHBondContact O-N 3.32Å; I435-S437 PolarHBondContact O-N 3.27Å; I435-Q440 HydrophobicContact CG2-CB 4.18Å; I435-A443 HydrophobicContact CD1-CB 4.22Å; I435-A443 HydrophobicContact CG2-CB 4.25Å
436	P	91.1	Very high	88	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.			trans	-61.3	134.7	169.3	-20.4	33.7	0	0	0	109.4	L352 S353 Y383 R434 F438 L439 Q440	L352-P436 HydrophobicContact CB-CB 4.29Å; L352-P436 HydrophobicContact CD1-CG 4.2Å; S353-P436 WeakPolarHBondContact OG-CA 3.44Å; Y383-P436 HydrophobicContact CD1-CG 4.33Å; Y383-P436 HydrophobicContact CE1-CG 3.76Å; Y383-P436 HydrophobicContact CE2-CG 4.3Å; Y383-P436 WeakPolarHBondContact OH-CD 3.24Å; R434-P436 WeakPolarHBondContact O-CD 3.11Å; P436-F438 HydrophobicContact CB-CD1 3.82Å; P436-F438 HydrophobicContact CB-CE1 3.37Å; P436-F438 HydrophobicContact CB-CE2 4.17Å; P436-F438 HydrophobicContact CB-CG 4.39Å; P436-F438 HydrophobicContact CB-CZ 3.55Å; P436-F438 HydrophobicContact CG-CE1 4.41Å; P436-F438 HydrophobicContact CG-CZ 4.2Å; P436-F438 PolarHBondContact O-N 3.48Å; P436-F438 VanDerWaalsContact O-N 3.07Å; P436-L439 HydrophobicContact CG-CD1 4.15Å; P436-L439 PolarHBondContact O-N 3.25Å; P436-Q440 PolarHBondContact O-N 3.26Å
437	S	89.8	Confident	88.9	Confident	41 Å²	41	46.6 Å²	46.6	29%	0.287	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-52.4	-36.7	-175.3	52.5	0	0	0	0	112.8	S353 I435 L439 Q440	S353-S437 PolarHBondContact OG-N 3.43Å; I435-S437 PolarHBondContact O-N 3.27Å; S437-L439 VanDerWaalsContact C-N 3.35Å; S437-L439 PolarHBondContact O-N 2.81Å; S437-Q440 WeakPolarHBondContact O-CB 3.36Å; S437-Q440 PolarHBondContact O-N 3.24Å
438	F	89.3	Confident	89.4	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.026	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-72.1	-18.6	177.4	62.6	-93.8	0	0	0	115.2	L352 H356 F384 P436 M442 Y473 Y480	L352-F438 HydrophobicContact CB-CE1 4.17Å; H356-F438 HydrophobicContact CB-CD1 4.16Å; H356-F438 AromaticContact CG-CD1 3.97Å; F384-F438 HydrophobicContact CE2-CE2 4.41Å; F384-F438 AromaticContact CZ-CE2 3.87Å; F384-F438 HydrophobicContact CZ-CE2 3.87Å; F384-F438 HydrophobicContact CZ-CZ 4.42Å; P436-F438 HydrophobicContact CB-CD1 3.82Å; P436-F438 HydrophobicContact CB-CE1 3.37Å; P436-F438 HydrophobicContact CB-CE2 4.17Å; P436-F438 HydrophobicContact CB-CG 4.39Å; P436-F438 HydrophobicContact CB-CZ 3.55Å; P436-F438 HydrophobicContact CG-CE1 4.41Å; P436-F438 HydrophobicContact CG-CZ 4.2Å; P436-F438 PolarHBondContact O-N 3.48Å; P436-F438 VanDerWaalsContact O-N 3.07Å; F438-M442 WeakPolarHBondContact O-CE 3.5Å; F438-Y473 HydrophobicContact CD1-CE2 4.36Å; F438-Y473 HydrophobicContact CE1-CE2 4.33Å; F438-Y473 HydrophobicContact CE2-CD2 4.35Å; F438-Y473 HydrophobicContact CZ-CD2 4.29Å; F438-Y473 HydrophobicContact CZ-CE2 4.47Å; F438-Y480 HydrophobicContact CD2-CE2 4.26Å
439	L	90.3	Very high	89.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-97.5	-4.3	175.8	-69.3	178.8	0	0	0	113.4	Y383 L387 M404 P436 S437 K441 M442 A443 I446 Y480 I484	Y383-L439 HydrophobicContact CE1-CD1 4.23Å; L387-L439 HydrophobicContact CD2-CD1 4.34Å; M404-L439 HydrophobicContact CE-CB 4.12Å; M404-L439 HydrophobicContact CE-CD1 3.65Å; P436-L439 HydrophobicContact CG-CD1 4.15Å; P436-L439 PolarHBondContact O-N 3.25Å; S437-L439 VanDerWaalsContact C-N 3.35Å; S437-L439 PolarHBondContact O-N 2.81Å; L439-K441 VanDerWaalsContact C-N 3.25Å; L439-K441 PolarHBondContact O-N 2.98Å; L439-K441 VanDerWaalsContact O-N 3.14Å; L439-M442 CarbonylContact O-C 3.52Å; L439-M442 PolarHBondContact O-N 3.26Å; L439-A443 PolarHBondContact O-N 2.89Å; L439-I446 HydrophobicContact CD1-CD1 4.48Å; L439-I446 HydrophobicContact CD2-CD1 4.44Å; L439-Y480 HydrophobicContact CD2-CD2 3.99Å; L439-Y480 HydrophobicContact CD2-CE2 3.89Å; L439-I484 HydrophobicContact CD2-CD1 4.04Å
440	Q	90.5	Very high	89.8	Confident	110 Å²	110	44.6 Å²	44.6	51%	0.514	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-56.1	-37.4	-172.9	-171.2	174.3	1.2	0	0	113.5	I435 P436 S437 M442 A443	I435-Q440 HydrophobicContact CG2-CB 4.18Å; P436-Q440 PolarHBondContact O-N 3.26Å; S437-Q440 WeakPolarHBondContact O-CB 3.36Å; S437-Q440 PolarHBondContact O-N 3.24Å; Q440-M442 VanDerWaalsContact C-N 3.29Å; Q440-M442 PolarHBondContact O-N 2.71Å; Q440-A443 WeakPolarHBondContact O-CB 3.32Å; Q440-A443 PolarHBondContact O-N 3.14Å
441	K	90.8	Very high	89.6	Confident	155 Å²	155	43.8 Å²	43.8	67%	0.674	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-68.5	-26	178.2	-64.2	174.4	-171.1	161.1	0	113.7	L439 E477	L439-K441 VanDerWaalsContact C-N 3.25Å; L439-K441 PolarHBondContact O-N 2.98Å; L439-K441 VanDerWaalsContact O-N 3.14Å; K441-E477 IonicContact NZ-OE2 3.55Å; K441-E477 PolarHBondContact NZ-OE2 3.22Å
442	M	90.5	Very high	89.6	Confident	16 Å²	16	44.3 Å²	44.3	8%	0.079	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-104.1	-1.1	-176.1	-74.6	67.8	68.3	0	0	112	F438 L439 Q440 D444 K445 I446 Y480 V481	F438-M442 WeakPolarHBondContact O-CE 3.5Å; L439-M442 CarbonylContact O-C 3.52Å; L439-M442 PolarHBondContact O-N 3.26Å; Q440-M442 VanDerWaalsContact C-N 3.29Å; Q440-M442 PolarHBondContact O-N 2.71Å; M442-D444 PolarHBondContact O-N 2.98Å; M442-K445 PolarHBondContact O-N 3.45Å; M442-K445 VanDerWaalsContact O-N 3.15Å; M442-I446 HydrophobicContact CB-CD1 4.25Å; M442-I446 VanDerWaalsContact O-CG1 3.27Å; M442-I446 WeakPolarHBondContact O-CG1 3.36Å; M442-I446 PolarHBondContact O-N 3.37Å; M442-Y480 HydrophobicContact CE-CE2 4.29Å; M442-V481 HydrophobicContact CE-CG2 3.39Å; M442-V481 HydrophobicContact CG-CG1 4.48Å; M442-V481 HydrophobicContact CG-CG2 4.38Å; M442-V481 HydrophobicContact SD-CG1 4.32Å; M442-V481 HydrophobicContact SD-CG2 3.87Å
443	A	91.5	Very high	89.6	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-44	-170.2	0	0	0	0	0	112.6	I430 I435 L439 Q440 I446 L447	I430-A443 HydrophobicContact CD1-CB 3.66Å; I435-A443 HydrophobicContact CD1-CB 4.22Å; I435-A443 HydrophobicContact CG2-CB 4.25Å; L439-A443 PolarHBondContact O-N 2.89Å; Q440-A443 WeakPolarHBondContact O-CB 3.32Å; Q440-A443 PolarHBondContact O-N 3.14Å; A443-I446 PolarHBondContact O-N 2.9Å; A443-L447 PolarHBondContact O-N 3.35Å
444	D	90.3	Very high	89.6	Confident	111 Å²	111	33 Å²	33	59%	0.594	16%	0.161	S	C	*	.	H	α-helix	trans	-65.9	-42.3	177.2	-60.5	-36.3	0	0	0	111.7	M442 I446 L447 S448	M442-D444 PolarHBondContact O-N 2.98Å; D444-I446 VanDerWaalsContact C-N 3.33Å; D444-I446 PolarHBondContact O-N 3.07Å; D444-L447 WeakPolarHBondContact O-CB 3.44Å; D444-L447 PolarHBondContact O-N 3.27Å; D444-S448 PolarHBondContact O-N 3.48Å; D444-S448 PolarHBondContact O-OG 3.16Å
445	K	90.3	Very high	89.4	Confident	78 Å²	78	31.2 Å²	31.2	34%	0.339	15%	0.154	S	C	.	.	H	α-helix	trans	-61.4	-41.6	175.3	-67.7	-173.2	-179.9	-173.2	0	111.4	M442 L447 S448 T449 E485 Y488	M442-K445 PolarHBondContact O-N 3.45Å; M442-K445 VanDerWaalsContact O-N 3.15Å; K445-L447 VanDerWaalsContact C-N 3.34Å; K445-S448 PolarHBondContact O-N 2.93Å; K445-T449 WeakPolarHBondContact O-CB 3.35Å; K445-T449 PolarHBondContact O-N 3.25Å; K445-T449 PolarHBondContact O-OG1 2.96Å; K445-E485 IonicContact NZ-OE1 2.71Å; K445-E485 PolarHBondContact NZ-OE1 2.84Å; K445-Y488 HydrophobicContact CB-CD2 4.3Å
446	I	92.5	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-44.5	177.5	-67.3	165.5	0	0	0	110.1	L387 W390 I391 M404 L439 M442 A443 D444 T449 G450 I484	L387-I446 HydrophobicContact CD1-CD1 4.18Å; L387-I446 HydrophobicContact CD1-CG1 4.36Å; L387-I446 HydrophobicContact CD1-CG2 3.49Å; L387-I446 VanDerWaalsContact CD1-CG2 3.49Å; W390-I446 PolarHBondContact NE1-O 3.24Å; I391-I446 HydrophobicContact CD1-CG1 4.23Å; I391-I446 HydrophobicContact CD1-CG2 4.43Å; I391-I446 HydrophobicContact CG1-CG2 4.42Å; M404-I446 HydrophobicContact CE-CD1 4.18Å; M404-I446 HydrophobicContact SD-CB 4.49Å; M404-I446 HydrophobicContact SD-CD1 4.16Å; M404-I446 HydrophobicContact SD-CG2 4.18Å; L439-I446 HydrophobicContact CD1-CD1 4.48Å; L439-I446 HydrophobicContact CD2-CD1 4.44Å; M442-I446 HydrophobicContact CB-CD1 4.25Å; M442-I446 VanDerWaalsContact O-CG1 3.27Å; M442-I446 WeakPolarHBondContact O-CG1 3.36Å; M442-I446 PolarHBondContact O-N 3.37Å; A443-I446 PolarHBondContact O-N 2.9Å; D444-I446 VanDerWaalsContact C-N 3.33Å; D444-I446 PolarHBondContact O-N 3.07Å; I446-T449 PolarHBondContact O-N 3.34Å; I446-G450 PolarHBondContact O-N 3.48Å; I446-I484 HydrophobicContact CD1-CD1 4.21Å; I446-I484 HydrophobicContact CG1-CD1 4.47Å; I446-I484 HydrophobicContact CG1-CG2 3.89Å
447	L	91.2	Very high	88.8	Confident	19 Å²	19	34.2 Å²	34.2	10%	0.099	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-52.1	176.7	179	65.8	0	0	0	111.2	V405 I430 A443 D444 K445 T449 G450 K451	V405-L447 HydrophobicContact CB-CD1 4.4Å; V405-L447 HydrophobicContact CG1-CD1 3.66Å; V405-L447 HydrophobicContact CG2-CD1 3.89Å; I430-L447 HydrophobicContact CB-CD2 4.42Å; A443-L447 PolarHBondContact O-N 3.35Å; D444-L447 WeakPolarHBondContact O-CB 3.44Å; D444-L447 PolarHBondContact O-N 3.27Å; K445-L447 VanDerWaalsContact C-N 3.34Å; L447-T449 VanDerWaalsContact C-N 3.32Å; L447-T449 PolarHBondContact O-N 2.78Å; L447-G450 PolarHBondContact O-N 3.4Å; L447-K451 HydrophobicContact CG-CD 4.23Å; L447-K451 WeakPolarHBondContact O-CG 3.36Å; L447-K451 PolarHBondContact O-N 3.34Å
448	S	88.5	Confident	88.4	Confident	31 Å²	31	35.6 Å²	35.6	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-40	179.6	-65.4	0	0	0	0	112.6	D444 K445 G450 K451 Y452	D444-S448 PolarHBondContact O-N 3.48Å; D444-S448 PolarHBondContact O-OG 3.16Å; K445-S448 PolarHBondContact O-N 2.93Å; S448-G450 PolarHBondContact O-N 3.38Å; S448-K451 WeakPolarHBondContact O-CB 3.34Å; S448-K451 PolarHBondContact O-N 3.24Å; S448-Y452 WeakPolarHBondContact O-CD2 3.12Å; S448-Y452 VanDerWaalsContact O-CG 3.23Å; S448-Y452 PolarHBondContact O-N 2.94Å
449	T	90.7	Very high	87.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-51.4	179.4	-56.1	0	0	0	0	111.7	I391 K445 I446 L447 Y452 L453 Y488 A491	I391-T449 HydrophobicContact CG2-CG2 4.19Å; K445-T449 WeakPolarHBondContact O-CB 3.35Å; K445-T449 PolarHBondContact O-N 3.25Å; K445-T449 PolarHBondContact O-OG1 2.96Å; I446-T449 PolarHBondContact O-N 3.34Å; L447-T449 VanDerWaalsContact C-N 3.32Å; L447-T449 PolarHBondContact O-N 2.78Å; T449-Y452 PolarHBondContact O-N 3.08Å; T449-L453 PolarHBondContact O-N 2.59Å; T449-Y488 WeakPolarHBondContact OG1-CB 3.29Å; T449-Y488 WeakPolarHBondContact OG1-CD2 3.17Å; T449-A491 HydrophobicContact CG2-CB 3.88Å
450	G	89.1	Confident	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.7	-30.3	179.8	0	0	0	0	0	113.3	W390 I446 L447 S448 L453 N454	W390-G450 VanDerWaalsContact CE2-CA 3.47Å; W390-G450 VanDerWaalsContact CZ2-CA 3.41Å; I446-G450 PolarHBondContact O-N 3.48Å; L447-G450 PolarHBondContact O-N 3.4Å; S448-G450 PolarHBondContact O-N 3.38Å; G450-L453 PolarHBondContact O-N 3.45Å; G450-N454 WeakPolarHBondContact O-CB 3.46Å; G450-N454 PolarHBondContact O-N 3.04Å
451	K	86.3	Confident	86.2	Confident	33 Å²	33	41 Å²	41	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-49	169.6	-77.2	-176.7	174.2	-174	0	110.7	W424 D425 Y428 L447 S448 L453 N454 V455	W424-K451 WeakPolarHBondContact O-CE 3.18Å; W424-K451 PolarHBondContact O-NZ 3.01Å; D425-K451 IonicContact OD1-NZ 3.4Å; Y428-K451 HydrophobicContact CD2-CG 4.2Å; Y428-K451 HydrophobicContact CG-CG 4.49Å; Y428-K451 WeakPolarHBondContact O-CE 3.38Å; Y428-K451 PolarHBondContact O-NZ 3.06Å; L447-K451 HydrophobicContact CG-CD 4.23Å; L447-K451 WeakPolarHBondContact O-CG 3.36Å; L447-K451 PolarHBondContact O-N 3.34Å; S448-K451 WeakPolarHBondContact O-CB 3.34Å; S448-K451 PolarHBondContact O-N 3.24Å; K451-L453 PolarHBondContact O-N 2.91Å; K451-N454 PolarHBondContact O-N 3.21Å; K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.89Å
452	Y	87.4	Confident	85.3	Confident	25 Å²	25	40 Å²	40	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-44.1	-179.9	-60.8	-19.9	0	0	0	112.4	S448 T449 N454 V455 V456 Y488 L495 I715 D716	S448-Y452 WeakPolarHBondContact O-CD2 3.12Å; S448-Y452 VanDerWaalsContact O-CG 3.23Å; S448-Y452 PolarHBondContact O-N 2.94Å; T449-Y452 PolarHBondContact O-N 3.08Å; Y452-N454 VanDerWaalsContact C-N 3.33Å; Y452-N454 PolarHBondContact O-N 3.01Å; Y452-V455 PolarHBondContact O-N 3.16Å; Y452-V456 WeakPolarHBondContact O-CG2 3.37Å; Y452-V456 PolarHBondContact O-N 3.13Å; Y452-Y488 AromaticContact CE2-CE2 3.86Å; Y452-Y488 HydrophobicContact CE2-CE2 3.86Å; Y452-L495 HydrophobicContact CD1-CD2 3.54Å; Y452-L495 HydrophobicContact CE1-CD2 4.4Å; Y452-L495 HydrophobicContact CG-CD2 3.72Å; Y452-I715 HydrophobicContact CD1-CG2 4.17Å; Y452-I715 HydrophobicContact CD2-CG2 3.98Å; Y452-I715 HydrophobicContact CE1-CG2 3.69Å; Y452-I715 HydrophobicContact CE2-CG2 3.45Å; Y452-I715 VanDerWaalsContact CE2-CG2 3.45Å; Y452-I715 HydrophobicContact CG-CG2 4.34Å; Y452-D716 PolarHBondContact OH-OD1 3.46Å; Y452-D716 PolarHBondContact OH-OD2 3.17Å
453	L	87.6	Confident	84.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-38.4	176.5	-69.6	175.3	0	0	0	112.2	I391 T449 G450 K451 V456 R457 V463 A491	I391-L453 WeakPolarHBondContact O-CD1 3.12Å; T449-L453 PolarHBondContact O-N 2.59Å; G450-L453 PolarHBondContact O-N 3.45Å; K451-L453 PolarHBondContact O-N 2.91Å; L453-V456 PolarHBondContact O-N 3.1Å; L453-R457 VanDerWaalsContact O-CG 3.24Å; L453-R457 WeakPolarHBondContact O-CG 3.06Å; L453-R457 PolarHBondContact O-N 3.22Å; L453-V463 HydrophobicContact CD2-CB 4.17Å; L453-V463 HydrophobicContact CD2-CG1 3.9Å; L453-A491 HydrophobicContact CD1-CB 4.41Å; L453-A491 HydrophobicContact CD2-CB 3.97Å; L453-A491 HydrophobicContact CG-CB 3.86Å
454	N	86.3	Confident	83.3	Confident	11 Å²	11	44 Å²	44	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-35.8	178.4	-79.7	-15.4	0	0	0	113.2	W390 G394 W424 Y428 G450 K451 Y452 V456 R457 E458	W390-N454 WeakPolarHBondContact CZ3-ND2 3.37Å; G394-N454 VanDerWaalsContact O-CG 3.28Å; G394-N454 PolarHBondContact O-ND2 3.12Å; G394-N454 PolarHBondContact O-OD1 3.24Å; W424-N454 HydrophobicContact CH2-CB 3.93Å; W424-N454 HydrophobicContact CZ3-CB 3.88Å; Y428-N454 HydrophobicContact CE2-CB 4.49Å; Y428-N454 VanDerWaalsContact CZ-ND2 3.32Å; Y428-N454 PolarHBondContact OH-ND2 2.75Å; G450-N454 WeakPolarHBondContact O-CB 3.46Å; G450-N454 PolarHBondContact O-N 3.04Å; K451-N454 PolarHBondContact O-N 3.21Å; Y452-N454 VanDerWaalsContact C-N 3.33Å; Y452-N454 PolarHBondContact O-N 3.01Å; N454-V456 VanDerWaalsContact C-N 3.29Å; N454-V456 PolarHBondContact O-N 3.45Å; N454-R457 PolarHBondContact O-N 3.45Å; N454-R457 WeakPolarHBondContact OD1-CD 3.31Å; N454-E458 WeakPolarHBondContact O-CG 3.47Å; N454-E458 PolarHBondContact O-N 3.46Å
455	V	83.1	Confident	82.4	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-45.9	171.5	171.4	0	0	0	0	110.5	W424 K451 Y452 R457 E458 C459 L495 W620 P621 L624	W424-V455 HydrophobicContact CD2-CG2 4.29Å; W424-V455 HydrophobicContact CE3-CG2 4.36Å; W424-V455 HydrophobicContact CH2-CG2 3.82Å; W424-V455 HydrophobicContact CZ2-CG2 3.72Å; W424-V455 HydrophobicContact CZ3-CG2 4.12Å; K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.89Å; Y452-V455 PolarHBondContact O-N 3.16Å; V455-R457 PolarHBondContact O-N 3.39Å; V455-E458 PolarHBondContact O-N 3.2Å; V455-C459 PolarHBondContact O-N 3.37Å; V455-L495 HydrophobicContact CB-CD1 4.27Å; V455-L495 HydrophobicContact CG1-CD1 3.73Å; V455-W620 HydrophobicContact CG1-CZ2 4.22Å; V455-W620 WeakPolarHBondContact O-CH2 3.36Å; V455-W620 VanDerWaalsContact O-CZ2 3.32Å; V455-W620 WeakPolarHBondContact O-CZ2 3.45Å; V455-P621 HydrophobicContact CG1-CB 3.95Å; V455-L624 HydrophobicContact CB-CD1 4.2Å; V455-L624 HydrophobicContact CG1-CD1 3.52Å; V455-L624 HydrophobicContact CG2-CD1 3.59Å
456	V	85.4	Confident	81.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-36.3	179.4	-177.4	0	0	0	0	111.8	Y452 L453 N454 C459 R461 V463 L495	Y452-V456 WeakPolarHBondContact O-CG2 3.37Å; Y452-V456 PolarHBondContact O-N 3.13Å; L453-V456 PolarHBondContact O-N 3.1Å; N454-V456 VanDerWaalsContact C-N 3.29Å; N454-V456 PolarHBondContact O-N 3.45Å; V456-C459 VanDerWaalsContact O-CB 3.32Å; V456-C459 WeakPolarHBondContact O-CB 3.48Å; V456-C459 PolarHBondContact O-N 3.39Å; V456-C459 VanDerWaalsContact O-N 3.17Å; V456-R461 HydrophobicContact CG1-CB 3.92Å; V456-R461 HydrophobicContact CG1-CG 4.5Å; V456-R461 PolarHBondContact O-N 3.32Å; V456-V463 HydrophobicContact CB-CG2 4.14Å; V456-V463 HydrophobicContact CG1-CG2 3.41Å; V456-V463 VanDerWaalsContact CG1-CG2 3.41Å; V456-L495 HydrophobicContact CG2-CB 4.1Å; V456-L495 HydrophobicContact CG2-CD1 3.72Å
457	R	84.1	Confident	80.4	Confident	75 Å²	75	45.9 Å²	45.9	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-65.6	-40.7	177.1	-73.1	167.3	62.3	98	21.8	113.1	R393 L453 N454 V455 C459 G460 R461	R393-R457 VanDerWaalsContact O-CD 3.24Å; R393-R457 WeakPolarHBondContact O-CD 3.01Å; R393-R457 PolarHBondContact O-NH1 3.06Å; L453-R457 VanDerWaalsContact O-CG 3.24Å; L453-R457 WeakPolarHBondContact O-CG 3.06Å; L453-R457 PolarHBondContact O-N 3.22Å; N454-R457 PolarHBondContact O-N 3.45Å; N454-R457 WeakPolarHBondContact OD1-CD 3.31Å; V455-R457 PolarHBondContact O-N 3.39Å; R457-C459 PolarHBondContact O-N 2.88Å; R457-G460 PolarHBondContact O-N 3.3Å; R457-R461 WeakPolarHBondContact CA-O 3.39Å
458	E	80.1	Confident	79.6	Confident	71 Å²	71	48.2 Å²	48.2	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-21.3	175.7	-73	-163.6	155.2	0	0	112.5	W424 R427 N454 V455 G460 W620	W424-E458 WeakPolarHBondContact CZ2-OE2 3.21Å; R427-E458 IonicContact CZ-OE1 3.92Å; R427-E458 IonicContact NH1-OE1 3.01Å; R427-E458 PolarHBondContact NH1-OE1 3.39Å; R427-E458 IonicContact NH2-OE1 2.8Å; N454-E458 WeakPolarHBondContact O-CG 3.47Å; N454-E458 PolarHBondContact O-N 3.46Å; V455-E458 PolarHBondContact O-N 3.2Å; E458-G460 PolarHBondContact O-N 2.99Å; E458-W620 HydrophobicContact CB-CH2 3.4Å; E458-W620 VanDerWaalsContact CB-CH2 3.4Å; E458-W620 HydrophobicContact CB-CZ2 3.47Å; E458-W620 VanDerWaalsContact CB-CZ2 3.47Å; E458-W620 HydrophobicContact CB-CZ3 4.44Å
459	C	76.4	Confident	79.3	Confident	41 Å²	41	52.8 Å²	52.8	28%	0.277	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.1	177	-72.2	0	0	0	0	111.5	V455 V456 R457 F498 W620	V455-C459 PolarHBondContact O-N 3.37Å; V456-C459 VanDerWaalsContact O-CB 3.32Å; V456-C459 WeakPolarHBondContact O-CB 3.48Å; V456-C459 PolarHBondContact O-N 3.39Å; V456-C459 VanDerWaalsContact O-N 3.17Å; R457-C459 PolarHBondContact O-N 2.88Å; C459-F498 HydrophobicContact CB-CE1 4.16Å; C459-F498 HydrophobicContact CB-CE2 4.18Å; C459-F498 HydrophobicContact CB-CZ 3.52Å; C459-F498 WeakPolarHBondContact SG-CE1 3.31Å; C459-F498 WeakPolarHBondContact SG-CZ 3.43Å; C459-W620 HydrophobicContact CB-CH2 3.96Å; C459-W620 HydrophobicContact CB-CZ3 4.16Å; C459-W620 VanDerWaalsContact N-CH2 3.3Å; C459-W620 WeakPolarHBondContact SG-CH2 3.28Å; C459-W620 WeakPolarHBondContact SG-CZ3 3.46Å
460	G	72.9	Confident	78.8	Confident	72 Å²	72	59.6 Å²	59.6	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	14.2	-177.7	0	0	0	0	0	114.4	R457 E458	R457-G460 PolarHBondContact O-N 3.3Å; E458-G460 PolarHBondContact O-N 2.99Å
461	R	75.6	Confident	78.6	Confident	117 Å²	117	59.8 Å²	59.8	44%	0.442	33%	0.329	S	S	.	.			trans	-108.6	111.2	177.2	-157.4	-178.2	-162.1	164.3	13.3	110.2	V456 R457 V463 E502	V456-R461 HydrophobicContact CG1-CB 3.92Å; V456-R461 HydrophobicContact CG1-CG 4.5Å; V456-R461 PolarHBondContact O-N 3.32Å; R457-R461 WeakPolarHBondContact CA-O 3.39Å; R461-V463 PolarHBondContact O-N 2.87Å; R461-E502 IonicContact CZ-OE1 2.75Å; R461-E502 IonicContact NH1-OE1 3.3Å; R461-E502 PolarHBondContact NH1-OE1 3.38Å; R461-E502 IonicContact NH2-OE1 2.84Å
462	D	71.1	Confident	78.5	Confident	133 Å²	133	63.4 Å²	63.4	71%	0.711	35%	0.349	S	S	*	.			trans	-75.9	107.1	173	-80	-37.6	0	0	0	109.6
463	V	69.1	Low	78.5	Confident	9 Å²	9	62.6 Å²	62.6	6%	0.055	35%	0.346	C	S	.	.			trans	-97.4	124.4	176.5	-174.3	0	0	0	0	109	L453 V456 R461 Y490 V494	L453-V463 HydrophobicContact CD2-CB 4.17Å; L453-V463 HydrophobicContact CD2-CG1 3.9Å; V456-V463 HydrophobicContact CB-CG2 4.14Å; V456-V463 HydrophobicContact CG1-CG2 3.41Å; V456-V463 VanDerWaalsContact CG1-CG2 3.41Å; R461-V463 PolarHBondContact O-N 2.87Å; V463-Y490 HydrophobicContact CG1-CE1 3.83Å; V463-V494 HydrophobicContact CG1-CG1 4.1Å; V463-V494 HydrophobicContact CG2-CG1 4Å
464	T	71.1	Confident	78.4	Confident	93 Å²	93	64.7 Å²	64.7	57%	0.571	36%	0.359	S	S	*	.			trans	-119.9	123.3	167.1	51.9	0	0	0	0	108.5
465	C	71.7	Confident	78	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.074	37%	0.368	C	S	.	.			trans	-58.1	127	176.6	-61.1	0	0	0	0	110.6	Y392 D467 Y490	Y392-C465 HydrophobicContact CD1-CB 3.64Å; Y392-C465 HydrophobicContact CE1-CB 4.48Å; Y392-C465 HydrophobicContact CG-CB 4.35Å; Y392-C465 PolarHBondContact O-N 2.89Å; C465-D467 VanDerWaalsContact C-N 3.32Å; C465-D467 PolarHBondContact O-N 3.39Å; C465-Y490 HydrophobicContact CB-CD1 4.04Å; C465-Y490 HydrophobicContact CB-CE1 3.98Å; C465-Y490 WeakPolarHBondContact SG-CD1 3.49Å; C465-Y490 WeakPolarHBondContact SG-CE1 3.43Å
466	P	72.6	Confident	77.6	Confident	98 Å²	98	74.8 Å²	74.8	64%	0.636	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.9	-179.2	23.9	-30.9	0	0	0	112.6	A468 Y490	P466-A468 VanDerWaalsContact C-N 3.35Å; P466-A468 PolarHBondContact O-N 3.47Å; P466-Y490 VanDerWaalsContact CD-CE2 3.45Å; P466-Y490 WeakPolarHBondContact CD-OH 3.29Å; P466-Y490 HydrophobicContact CG-CE2 3.93Å
467	D	68.8	Low	76.8	Confident	120 Å²	120	78.1 Å²	78.1	64%	0.642	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	48.9	178	-74.3	-37.5	0	0	0	112.7	C465 K469	C465-D467 VanDerWaalsContact C-N 3.32Å; C465-D467 PolarHBondContact O-N 3.39Å; D467-K469 PolarHBondContact O-N 2.94Å
468	A	74.9	Confident	76.3	Confident	69 Å²	69	84 Å²	84	57%	0.57	44%	0.442	S	S	*	.			trans	-71.8	99.7	175.7	0	0	0	0	0	110.3	Y392 P466	Y392-A468 HydrophobicContact CD2-CB 4.21Å; Y392-A468 HydrophobicContact CE2-CB 4.45Å; Y392-A468 HydrophobicContact CG-CB 4.28Å; P466-A468 VanDerWaalsContact C-N 3.35Å; P466-A468 PolarHBondContact O-N 3.47Å
469	K	80.9	Confident	76.5	Confident	126 Å²	126	82.9 Å²	82.9	55%	0.548	44%	0.444	S	S	.	.			trans	-108.4	146.3	174	-67.4	-176.1	-178.7	-179.1	0	109.5	Y392 D467 V471	Y392-K469 WeakPolarHBondContact CE2-O 3.39Å; Y392-K469 PolarHBondContact OH-N 2.88Å; Y392-K469 PolarHBondContact OH-O 3.49Å; D467-K469 PolarHBondContact O-N 2.94Å; K469-V471 PolarHBondContact O-N 3.43Å
470	E	81.2	Confident	76.9	Confident	143 Å²	143	81 Å²	81	67%	0.668	43%	0.431	S	S	*	.			trans	-63.4	133.6	174.3	-65.7	177.9	-178.8	0	0	110.3	E388 Q483	E388-E470 VanDerWaalsContact OE1-CA 3.29Å; E388-E470 WeakPolarHBondContact OE1-CA 3.38Å; E470-Q483 PolarHBondContact O-NE2 2.64Å
471	V	83.5	Confident	77.7	Confident	5 Å²	5	78.9 Å²	78.9	3%	0.03	40%	0.404	C	S	.	.			trans	-97.4	105.2	179.3	-172	0	0	0	0	107.9	F384 E388 K469	F384-V471 WeakPolarHBondContact CB-O 3.47Å; F384-V471 HydrophobicContact CD1-CB 3.81Å; F384-V471 HydrophobicContact CD1-CG1 3.39Å; F384-V471 HydrophobicContact CE1-CB 4.35Å; F384-V471 HydrophobicContact CE1-CG1 3.43Å; F384-V471 VanDerWaalsContact CE1-CG1 3.43Å; F384-V471 HydrophobicContact CG-CB 4.46Å; F384-V471 HydrophobicContact CG-CG1 4.34Å; F384-V471 WeakPolarHBondContact CG-O 3.4Å; F384-V471 HydrophobicContact CZ-CG1 4.4Å; E388-V471 HydrophobicContact CG-CB 4.31Å; E388-V471 HydrophobicContact CG-CG2 3.95Å; E388-V471 PolarHBondContact OE1-N 3.45Å; K469-V471 PolarHBondContact O-N 3.43Å
472	L	85.1	Confident	78.3	Confident	108 Å²	108	78.2 Å²	78.2	57%	0.565	41%	0.406	S	S	*	.			trans	-105.4	143.7	-178.3	-63	174.7	0	0	0	111.2	T474	L472-T474 PolarHBondContact O-N 3.42Å
473	Y	87.8	Confident	79.2	Confident	8 Å²	8	73.8 Å²	73.8	3%	0.031	38%	0.381	C	S	.	.			trans	-65.5	123.7	173	179	-99.6	0	0	0	111.5	H356 L373 T376 K377 S380 F438	H356-Y473 AromaticContact ND1-CE2 3.9Å; H356-Y473 AromaticContact ND1-CZ 3.77Å; H356-Y473 PolarHBondContact ND1-OH 3.31Å; L373-Y473 HydrophobicContact CD1-CD1 4.11Å; L373-Y473 HydrophobicContact CD1-CE1 3.64Å; T376-Y473 HydrophobicContact CG2-CD1 3.9Å; T376-Y473 HydrophobicContact CG2-CD2 4.22Å; T376-Y473 HydrophobicContact CG2-CE1 3.49Å; T376-Y473 VanDerWaalsContact CG2-CE1 3.49Å; T376-Y473 HydrophobicContact CG2-CE2 3.86Å; T376-Y473 HydrophobicContact CG2-CG 4.23Å; T376-Y473 VanDerWaalsContact CG2-CZ 3.47Å; K377-Y473 HydrophobicContact CG-CD1 3.82Å; S380-Y473 VanDerWaalsContact OG-CB 3.28Å; S380-Y473 WeakPolarHBondContact OG-CB 3.5Å; F438-Y473 HydrophobicContact CD1-CE2 4.36Å; F438-Y473 HydrophobicContact CE1-CE2 4.33Å; F438-Y473 HydrophobicContact CE2-CD2 4.35Å; F438-Y473 HydrophobicContact CZ-CD2 4.29Å; F438-Y473 HydrophobicContact CZ-CE2 4.47Å
474	T	85.1	Confident	80.2	Confident	46 Å²	46	73.4 Å²	73.4	28%	0.282	38%	0.379	S	S	.	.			trans	-124.8	135	171.4	54.2	0	0	0	0	109.8	L472 K476 A479 Y480	L472-T474 PolarHBondContact O-N 3.42Å; T474-K476 CarbonylContact O-C 3.57Å; T474-K476 PolarHBondContact O-N 2.9Å; T474-K476 PolarHBondContact OG1-O 2.77Å; T474-A479 HydrophobicContact CG2-CB 4.25Å; T474-Y480 WeakPolarHBondContact O-CE1 3.21Å
475	L	78.3	Confident	81.1	Confident	48 Å²	48	72.5 Å²	72.5	25%	0.251	37%	0.368	S	S	.	.	S	Bend	trans	-60.2	-31.7	177.4	-172.1	66.4	0	0	0	111.9	T359 L373	T359-L475 HydrophobicContact CG2-CD1 3.7Å; L373-L475 HydrophobicContact CD1-CB 4.2Å
476	K	74	Confident	81.9	Confident	178 Å²	178	78 Å²	78	77%	0.774	39%	0.391	S	S	*	.	S	Bend	trans	-83.2	114.3	168.3	-64.7	-175.3	179	179.6	0	108.2	T474 R478	T474-K476 CarbonylContact O-C 3.57Å; T474-K476 PolarHBondContact O-N 2.9Å; T474-K476 PolarHBondContact OG1-O 2.77Å; K476-R478 PolarHBondContact O-N 2.93Å
477	E	68.9	Low	82.8	Confident	70 Å²	70	73.7 Å²	73.7	33%	0.327	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-15.3	-171.8	-57.9	-179.1	166.3	0	0	115.1	K441 A479 Y480 V481	K441-E477 IonicContact NZ-OE2 3.55Å; K441-E477 PolarHBondContact NZ-OE2 3.22Å; E477-A479 PolarHBondContact O-N 3.26Å; E477-Y480 WeakPolarHBondContact CA-OH 3.4Å; E477-Y480 WeakPolarHBondContact CG-OH 3.41Å; E477-V481 WeakPolarHBondContact O-CG2 3.43Å
478	R	73.3	Confident	83.8	Confident	198 Å²	198	69 Å²	69	75%	0.747	34%	0.337	S	S	*	.	H	α-helix	trans	-67.4	-36.8	-165.5	-63	-173.8	-179.8	-178.3	-1.7	115.1	K476 E482	K476-R478 PolarHBondContact O-N 2.93Å; R478-E482 WeakPolarHBondContact O-CG 3.4Å; R478-E482 PolarHBondContact O-N 3.25Å; R478-E482 VanDerWaalsContact O-N 3.12Å
479	A	84.3	Confident	84.5	Confident	47 Å²	47	69.5 Å²	69.5	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-50.1	-167.2	0	0	0	0	0	113.1	T474 E477 Q483	T474-A479 HydrophobicContact CG2-CB 4.25Å; E477-A479 PolarHBondContact O-N 3.26Å; A479-Q483 PolarHBondContact O-N 3.03Å
480	Y	85.7	Confident	84.9	Confident	1 Å²	1	67 Å²	67	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-73.1	-28.6	178.3	58	-98.8	0	0	0	112.2	F438 L439 M442 T474 E477 Q483 I484	F438-Y480 HydrophobicContact CD2-CE2 4.26Å; L439-Y480 HydrophobicContact CD2-CD2 3.99Å; L439-Y480 HydrophobicContact CD2-CE2 3.89Å; M442-Y480 HydrophobicContact CE-CE2 4.29Å; T474-Y480 WeakPolarHBondContact O-CE1 3.21Å; E477-Y480 WeakPolarHBondContact CA-OH 3.4Å; E477-Y480 WeakPolarHBondContact CG-OH 3.41Å; Y480-Q483 PolarHBondContact O-N 3.15Å; Y480-I484 HydrophobicContact CD2-CD1 4.34Å; Y480-I484 WeakPolarHBondContact O-CD1 3.21Å; Y480-I484 WeakPolarHBondContact O-CG1 3.43Å; Y480-I484 PolarHBondContact O-N 3.49Å
481	V	89.7	Confident	85.3	Confident	28 Å²	28	60.2 Å²	60.2	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-62.6	-48.9	174.7	172.8	0	0	0	0	111.1	M442 E477 Q483 I484 E485	M442-V481 HydrophobicContact CE-CG2 3.39Å; M442-V481 HydrophobicContact CG-CG1 4.48Å; M442-V481 HydrophobicContact CG-CG2 4.38Å; M442-V481 HydrophobicContact SD-CG1 4.32Å; M442-V481 HydrophobicContact SD-CG2 3.87Å; E477-V481 WeakPolarHBondContact O-CG2 3.43Å; V481-Q483 VanDerWaalsContact C-N 3.26Å; V481-Q483 PolarHBondContact O-N 3.35Å; V481-I484 PolarHBondContact O-N 2.94Å; V481-E485 WeakPolarHBondContact O-CG 3.5Å; V481-E485 PolarHBondContact O-N 3.14Å
482	E	88.4	Confident	85.6	Confident	104 Å²	104	60 Å²	60	49%	0.486	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-35.1	178.4	-73.4	176.2	-159.5	0	0	112.4	R478 K486	R478-E482 WeakPolarHBondContact O-CG 3.4Å; R478-E482 PolarHBondContact O-N 3.25Å; R478-E482 VanDerWaalsContact O-N 3.12Å; E482-K486 VanDerWaalsContact O-CG 3.27Å; E482-K486 WeakPolarHBondContact O-CG 3.5Å; E482-K486 PolarHBondContact O-N 2.84Å; E482-K486 VanDerWaalsContact O-N 3.07Å
483	Q	88.3	Confident	85.8	Confident	40 Å²	40	60.5 Å²	60.5	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-43.6	175.8	-72.1	175.4	-28.4	0	0	111.9	E470 A479 Y480 V481 E485 K486 A487	E470-Q483 PolarHBondContact O-NE2 2.64Å; A479-Q483 PolarHBondContact O-N 3.03Å; Y480-Q483 PolarHBondContact O-N 3.15Å; V481-Q483 VanDerWaalsContact C-N 3.26Å; V481-Q483 PolarHBondContact O-N 3.35Å; Q483-E485 VanDerWaalsContact C-N 3.35Å; Q483-K486 PolarHBondContact O-N 3.05Å; Q483-A487 PolarHBondContact O-N 3.4Å
484	I	90.9	Very high	85.8	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176.6	-67.3	163.9	0	0	0	110.3	L387 I391 L439 I446 Y480 V481 A487 Y488	L387-I484 HydrophobicContact CD2-CD1 4.48Å; I391-I484 HydrophobicContact CD1-CB 4.45Å; I391-I484 HydrophobicContact CD1-CG1 3.83Å; I391-I484 HydrophobicContact CD1-CG2 4.22Å; L439-I484 HydrophobicContact CD2-CD1 4.04Å; I446-I484 HydrophobicContact CD1-CD1 4.21Å; I446-I484 HydrophobicContact CG1-CD1 4.47Å; I446-I484 HydrophobicContact CG1-CG2 3.89Å; Y480-I484 HydrophobicContact CD2-CD1 4.34Å; Y480-I484 WeakPolarHBondContact O-CD1 3.21Å; Y480-I484 WeakPolarHBondContact O-CG1 3.43Å; Y480-I484 PolarHBondContact O-N 3.49Å; V481-I484 PolarHBondContact O-N 2.94Å; I484-A487 PolarHBondContact O-N 2.68Å; I484-Y488 WeakPolarHBondContact O-CB 3.27Å; I484-Y488 PolarHBondContact O-N 3.17Å
485	E	90.4	Very high	86	Confident	74 Å²	74	59.1 Å²	59.1	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-40.3	178.1	-72.4	-166.1	151.8	0	0	112.8	K445 V481 Q483 A487 Y488 N489	K445-E485 IonicContact NZ-OE1 2.71Å; K445-E485 PolarHBondContact NZ-OE1 2.84Å; V481-E485 WeakPolarHBondContact O-CG 3.5Å; V481-E485 PolarHBondContact O-N 3.14Å; Q483-E485 VanDerWaalsContact C-N 3.35Å; E485-A487 VanDerWaalsContact C-N 3.32Å; E485-A487 PolarHBondContact O-N 3.13Å; E485-Y488 PolarHBondContact O-N 2.87Å; E485-N489 WeakPolarHBondContact O-CB 3.5Å; E485-N489 PolarHBondContact O-N 3.13Å; E485-N489 PolarHBondContact O-ND2 3.43Å
486	K	88.9	Confident	86.6	Confident	127 Å²	127	57.4 Å²	57.4	55%	0.552	27%	0.265	S	S	*	.	H	α-helix	trans	-61	-43.2	174.4	-76.4	171.7	-174.6	172.8	0	111.9	E482 Q483 Y490	E482-K486 VanDerWaalsContact O-CG 3.27Å; E482-K486 WeakPolarHBondContact O-CG 3.5Å; E482-K486 PolarHBondContact O-N 2.84Å; E482-K486 VanDerWaalsContact O-N 3.07Å; Q483-K486 PolarHBondContact O-N 3.05Å; K486-Y490 WeakPolarHBondContact O-CB 3.46Å; K486-Y490 PolarHBondContact O-N 2.91Å
487	A	90.3	Very high	87.3	Confident	6 Å²	6	52.2 Å²	52.2	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-39.6	179	0	0	0	0	0	112.5	I391 Y392 Q483 I484 E485 Y490 A491	I391-A487 HydrophobicContact CG2-CB 3.1Å; Y392-A487 HydrophobicContact CD1-CB 4.28Å; Y392-A487 HydrophobicContact CE1-CB 3.94Å; Q483-A487 PolarHBondContact O-N 3.4Å; I484-A487 PolarHBondContact O-N 2.68Å; E485-A487 VanDerWaalsContact C-N 3.32Å; E485-A487 PolarHBondContact O-N 3.13Å; A487-Y490 PolarHBondContact O-N 3.49Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.19Å
488	Y	90.7	Very high	88.2	Confident	22 Å²	22	49.2 Å²	49.2	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-49.4	172.7	169.9	-94	0	0	0	111.6	K445 T449 Y452 I484 E485 Y490 A491 S492 D716	K445-Y488 HydrophobicContact CB-CD2 4.3Å; T449-Y488 WeakPolarHBondContact OG1-CB 3.29Å; T449-Y488 WeakPolarHBondContact OG1-CD2 3.17Å; Y452-Y488 AromaticContact CE2-CE2 3.86Å; Y452-Y488 HydrophobicContact CE2-CE2 3.86Å; I484-Y488 WeakPolarHBondContact O-CB 3.27Å; I484-Y488 PolarHBondContact O-N 3.17Å; E485-Y488 PolarHBondContact O-N 2.87Å; Y488-Y490 VanDerWaalsContact C-N 3.3Å; Y488-Y490 PolarHBondContact O-N 2.6Å; Y488-A491 PolarHBondContact O-N 3.35Å; Y488-S492 VanDerWaalsContact O-CB 3.28Å; Y488-S492 WeakPolarHBondContact O-CB 3.28Å; Y488-S492 PolarHBondContact O-N 3.22Å; Y488-D716 PolarHBondContact OH-OD2 2.96Å
489	N	89.7	Confident	88.9	Confident	80 Å²	80	39.8 Å²	39.8	43%	0.428	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-39.6	178.7	-70.3	-23.5	0	0	0	111.6	E485 K493	E485-N489 WeakPolarHBondContact O-CB 3.5Å; E485-N489 PolarHBondContact O-N 3.13Å; E485-N489 PolarHBondContact O-ND2 3.43Å; N489-K493 WeakPolarHBondContact O-CB 3.26Å; N489-K493 PolarHBondContact O-N 2.91Å
490	Y	89.3	Confident	89.1	Confident	73 Å²	73	39.4 Å²	39.4	29%	0.286	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-49.2	174.3	174	-94.2	0	0	0	111.9	V463 C465 P466 K486 A487 Y488 S492 K493 V494	V463-Y490 HydrophobicContact CG1-CE1 3.83Å; C465-Y490 HydrophobicContact CB-CD1 4.04Å; C465-Y490 HydrophobicContact CB-CE1 3.98Å; C465-Y490 WeakPolarHBondContact SG-CD1 3.49Å; C465-Y490 WeakPolarHBondContact SG-CE1 3.43Å; P466-Y490 VanDerWaalsContact CD-CE2 3.45Å; P466-Y490 WeakPolarHBondContact CD-OH 3.29Å; P466-Y490 HydrophobicContact CG-CE2 3.93Å; K486-Y490 WeakPolarHBondContact O-CB 3.46Å; K486-Y490 PolarHBondContact O-N 2.91Å; A487-Y490 PolarHBondContact O-N 3.49Å; Y488-Y490 VanDerWaalsContact C-N 3.3Å; Y488-Y490 PolarHBondContact O-N 2.6Å; Y490-S492 PolarHBondContact O-N 3.38Å; Y490-K493 PolarHBondContact O-N 3.34Å; Y490-V494 HydrophobicContact CD1-CG2 4.23Å; Y490-V494 HydrophobicContact CD2-CG2 4.15Å; Y490-V494 HydrophobicContact CE1-CG2 3.8Å; Y490-V494 HydrophobicContact CE2-CG2 3.7Å; Y490-V494 HydrophobicContact CG-CG2 4.4Å; Y490-V494 VanDerWaalsContact O-CG2 3.31Å; Y490-V494 WeakPolarHBondContact O-CG2 3.44Å; Y490-V494 PolarHBondContact O-N 3.39Å
491	A	89.6	Confident	89.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-44.4	-179.9	0	0	0	0	0	112.1	T449 L453 A487 Y488 V494 L495	T449-A491 HydrophobicContact CG2-CB 3.88Å; L453-A491 HydrophobicContact CD1-CB 4.41Å; L453-A491 HydrophobicContact CD2-CB 3.97Å; L453-A491 HydrophobicContact CG-CB 3.86Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.19Å; Y488-A491 PolarHBondContact O-N 3.35Å; A491-V494 PolarHBondContact O-N 3.09Å; A491-L495 WeakPolarHBondContact O-CB 3.42Å; A491-L495 PolarHBondContact O-N 2.85Å
492	S	89.1	Confident	88.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-47.1	175.8	176.2	0	0	0	0	111.5	Y488 Y490 L495 L496 N714 I715	Y488-S492 VanDerWaalsContact O-CB 3.28Å; Y488-S492 WeakPolarHBondContact O-CB 3.28Å; Y488-S492 PolarHBondContact O-N 3.22Å; Y490-S492 PolarHBondContact O-N 3.38Å; S492-L495 PolarHBondContact O-N 3.19Å; S492-L496 VanDerWaalsContact O-CB 3.31Å; S492-L496 WeakPolarHBondContact O-CB 3.3Å; S492-L496 PolarHBondContact O-N 3.4Å; S492-N714 WeakPolarHBondContact OG-CA 3.45Å; S492-N714 WeakPolarHBondContact OG-CB 3.37Å; S492-N714 VanDerWaalsContact OG-CG 3.27Å; S492-N714 PolarHBondContact OG-OD1 2.83Å; S492-I715 PolarHBondContact OG-N 3.11Å
493	K	88.4	Confident	88.7	Confident	118 Å²	118	47.8 Å²	47.8	51%	0.513	23%	0.227	S	C	.	.	H	α-helix	trans	-64.2	-45.3	178.4	-177.3	173.1	-179	173.8	0	112.6	N489 Y490 L495 L496 D497	N489-K493 WeakPolarHBondContact O-CB 3.26Å; N489-K493 PolarHBondContact O-N 2.91Å; Y490-K493 PolarHBondContact O-N 3.34Å; K493-L495 VanDerWaalsContact C-N 3.3Å; K493-L495 PolarHBondContact O-N 2.87Å; K493-L496 PolarHBondContact O-N 3.4Å; K493-D497 WeakPolarHBondContact O-CB 3.27Å; K493-D497 VanDerWaalsContact O-CG 3.27Å; K493-D497 PolarHBondContact O-N 3.05Å
494	V	89.1	Confident	88.7	Confident	25 Å²	25	50.2 Å²	50.2	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-41.1	178.5	170.7	0	0	0	0	111.2	V463 Y490 A491 F498	V463-V494 HydrophobicContact CG1-CG1 4.1Å; V463-V494 HydrophobicContact CG2-CG1 4Å; Y490-V494 HydrophobicContact CD1-CG2 4.23Å; Y490-V494 HydrophobicContact CD2-CG2 4.15Å; Y490-V494 HydrophobicContact CE1-CG2 3.8Å; Y490-V494 HydrophobicContact CE2-CG2 3.7Å; Y490-V494 HydrophobicContact CG-CG2 4.4Å; Y490-V494 VanDerWaalsContact O-CG2 3.31Å; Y490-V494 WeakPolarHBondContact O-CG2 3.44Å; Y490-V494 PolarHBondContact O-N 3.39Å; A491-V494 PolarHBondContact O-N 3.09Å; V494-F498 WeakPolarHBondContact O-CB 3.26Å; V494-F498 PolarHBondContact O-N 3.31Å; V494-F498 VanDerWaalsContact O-N 3.09Å
495	L	88.9	Confident	88.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-42.5	175.1	177.2	62.3	0	0	0	111.5	Y452 V455 V456 A491 S492 K493 F498 L499 I715	Y452-L495 HydrophobicContact CD1-CD2 3.54Å; Y452-L495 HydrophobicContact CE1-CD2 4.4Å; Y452-L495 HydrophobicContact CG-CD2 3.72Å; V455-L495 HydrophobicContact CB-CD1 4.27Å; V455-L495 HydrophobicContact CG1-CD1 3.73Å; V456-L495 HydrophobicContact CG2-CB 4.1Å; V456-L495 HydrophobicContact CG2-CD1 3.72Å; A491-L495 WeakPolarHBondContact O-CB 3.42Å; A491-L495 PolarHBondContact O-N 2.85Å; S492-L495 PolarHBondContact O-N 3.19Å; K493-L495 VanDerWaalsContact C-N 3.3Å; K493-L495 PolarHBondContact O-N 2.87Å; L495-F498 PolarHBondContact O-N 2.97Å; L495-L499 HydrophobicContact CD1-CD1 3.81Å; L495-L499 HydrophobicContact CD1-CG 3.97Å; L495-L499 HydrophobicContact CD2-CD1 4.47Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.36Å; L495-L499 WeakPolarHBondContact O-CB 3.16Å; L495-L499 VanDerWaalsContact O-CG 3.27Å; L495-L499 WeakPolarHBondContact O-CG 3.47Å; L495-L499 PolarHBondContact O-N 3Å; L495-I715 HydrophobicContact CD2-CB 4.45Å; L495-I715 HydrophobicContact CD2-CG1 4.17Å; L495-I715 HydrophobicContact CD2-CG2 4.36Å
496	L	90	Very high	88.7	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-52.3	178.8	-179.6	66.1	0	0	0	111.4	S492 K493 F498 L499 M500 A712 S713 V718	S492-L496 VanDerWaalsContact O-CB 3.31Å; S492-L496 WeakPolarHBondContact O-CB 3.3Å; S492-L496 PolarHBondContact O-N 3.4Å; K493-L496 PolarHBondContact O-N 3.4Å; L496-F498 VanDerWaalsContact C-N 3.26Å; L496-F498 PolarHBondContact O-N 3.47Å; L496-L499 PolarHBondContact O-N 3.37Å; L496-L499 VanDerWaalsContact O-N 3.11Å; L496-M500 HydrophobicContact CD1-CE 3.64Å; L496-M500 HydrophobicContact CD1-CG 3.84Å; L496-M500 HydrophobicContact CG-CG 4.2Å; L496-M500 WeakPolarHBondContact O-CB 3.38Å; L496-M500 VanDerWaalsContact O-CG 3.3Å; L496-M500 WeakPolarHBondContact O-CG 3.27Å; L496-M500 PolarHBondContact O-N 3.49Å; L496-A712 WeakPolarHBondContact CD2-O 3.22Å; L496-S713 WeakPolarHBondContact CD2-O 3.44Å; L496-V718 HydrophobicContact CD1-CG2 3.61Å
497	D	88.6	Confident	88.8	Confident	70 Å²	70	45.9 Å²	45.9	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-42.2	178.6	-66.7	-13.4	0	0	0	109.9	K493 L499 D501	K493-D497 WeakPolarHBondContact O-CB 3.27Å; K493-D497 VanDerWaalsContact O-CG 3.27Å; K493-D497 PolarHBondContact O-N 3.05Å; D497-L499 PolarHBondContact O-N 2.89Å; D497-D501 VanDerWaalsContact O-CB 3.26Å; D497-D501 WeakPolarHBondContact O-CB 3.28Å; D497-D501 PolarHBondContact O-N 3.49Å
498	F	89.2	Confident	88.9	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.026	23%	0.226	C	C	.	.	I	π-helix	trans	-62.3	-42.7	175.4	175.7	-95.2	0	0	0	113.3	C459 V494 L495 L496 E502 K503 P621	C459-F498 HydrophobicContact CB-CE1 4.16Å; C459-F498 HydrophobicContact CB-CE2 4.18Å; C459-F498 HydrophobicContact CB-CZ 3.52Å; C459-F498 WeakPolarHBondContact SG-CE1 3.31Å; C459-F498 WeakPolarHBondContact SG-CZ 3.43Å; V494-F498 WeakPolarHBondContact O-CB 3.26Å; V494-F498 PolarHBondContact O-N 3.31Å; V494-F498 VanDerWaalsContact O-N 3.09Å; L495-F498 PolarHBondContact O-N 2.97Å; L496-F498 VanDerWaalsContact C-N 3.26Å; L496-F498 PolarHBondContact O-N 3.47Å; F498-E502 HydrophobicContact CD2-CB 4.26Å; F498-E502 VanDerWaalsContact CD2-CD 3.43Å; F498-E502 HydrophobicContact CD2-CG 4.18Å; F498-E502 VanDerWaalsContact CD2-OE2 3.31Å; F498-E502 WeakPolarHBondContact CD2-OE2 3.42Å; F498-E502 HydrophobicContact CE2-CB 4.31Å; F498-E502 HydrophobicContact CE2-CG 4.5Å; F498-E502 WeakPolarHBondContact CE2-OE2 3.37Å; F498-E502 WeakPolarHBondContact O-CB 3.46Å; F498-E502 PolarHBondContact O-N 3.3Å; F498-E502 VanDerWaalsContact O-N 3.13Å; F498-K503 HydrophobicContact CE1-CG 4.07Å; F498-K503 HydrophobicContact CZ-CG 4.4Å; F498-K503 PolarHBondContact O-N 3.49Å; F498-P621 HydrophobicContact CE1-CG 3.97Å
499	L	88.1	Confident	89	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	I	π-helix	trans	-74.6	-36.1	-179.8	-70.3	172.3	0	0	0	112.8	L495 L496 D497 K503 E504 L505 P621 L622 I625 I715	L495-L499 HydrophobicContact CD1-CD1 3.81Å; L495-L499 HydrophobicContact CD1-CG 3.97Å; L495-L499 HydrophobicContact CD2-CD1 4.47Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.36Å; L495-L499 WeakPolarHBondContact O-CB 3.16Å; L495-L499 VanDerWaalsContact O-CG 3.27Å; L495-L499 WeakPolarHBondContact O-CG 3.47Å; L495-L499 PolarHBondContact O-N 3Å; L496-L499 PolarHBondContact O-N 3.37Å; L496-L499 VanDerWaalsContact O-N 3.11Å; D497-L499 PolarHBondContact O-N 2.89Å; L499-K503 HydrophobicContact CD2-CG 4.5Å; L499-K503 CarbonylContact O-C 3.36Å; L499-E504 PolarHBondContact O-N 2.72Å; L499-L505 PolarHBondContact O-N 3.38Å; L499-P621 HydrophobicContact CD2-CB 4.2Å; L499-P621 HydrophobicContact CD2-CG 3.75Å; L499-L622 HydrophobicContact CD2-CD2 4.15Å; L499-I625 HydrophobicContact CD1-CD1 3.9Å; L499-I715 HydrophobicContact CD1-CD1 3.63Å
500	M	87.9	Confident	89.2	Confident	38 Å²	38	46.1 Å²	46.1	19%	0.187	22%	0.219	C	C	.	.	I	π-helix	trans	-75	-47	-179.9	-69.4	-64.3	-174.4	0	0	111.5	L496 E504 L505 V506 V718	L496-M500 HydrophobicContact CD1-CE 3.64Å; L496-M500 HydrophobicContact CD1-CG 3.84Å; L496-M500 HydrophobicContact CG-CG 4.2Å; L496-M500 WeakPolarHBondContact O-CB 3.38Å; L496-M500 VanDerWaalsContact O-CG 3.3Å; L496-M500 WeakPolarHBondContact O-CG 3.27Å; L496-M500 PolarHBondContact O-N 3.49Å; M500-E504 WeakPolarHBondContact O-CA 3.13Å; M500-E504 PolarHBondContact O-N 3.31Å; M500-L505 HydrophobicContact CE-CD2 3.8Å; M500-L505 HydrophobicContact SD-CB 4.18Å; M500-L505 HydrophobicContact SD-CD2 3.91Å; M500-V506 HydrophobicContact SD-CG2 3.85Å; M500-V718 HydrophobicContact CE-CG1 4.44Å; M500-V718 HydrophobicContact CE-CG2 3.69Å
501	D	85.8	Confident	89.4	Confident	124 Å²	124	42.8 Å²	42.8	66%	0.663	21%	0.206	S	C	*	.	I	π-helix	trans	-87.6	-51.1	-173	-64	-20.5	0	0	0	112.2	D497	D497-D501 VanDerWaalsContact O-CB 3.26Å; D497-D501 WeakPolarHBondContact O-CB 3.28Å; D497-D501 PolarHBondContact O-N 3.49Å
502	E	85.6	Confident	89.6	Confident	102 Å²	102	42.8 Å²	42.8	48%	0.477	21%	0.206	S	C	.	.	I	π-helix	trans	-85.8	-29.2	-172.2	-59.6	-174.4	-156.5	0	0	113.4	R461 F498	R461-E502 IonicContact CZ-OE1 2.75Å; R461-E502 IonicContact NH1-OE1 3.3Å; R461-E502 PolarHBondContact NH1-OE1 3.38Å; R461-E502 IonicContact NH2-OE1 2.84Å; F498-E502 HydrophobicContact CD2-CB 4.26Å; F498-E502 VanDerWaalsContact CD2-CD 3.43Å; F498-E502 HydrophobicContact CD2-CG 4.18Å; F498-E502 VanDerWaalsContact CD2-OE2 3.31Å; F498-E502 WeakPolarHBondContact CD2-OE2 3.42Å; F498-E502 HydrophobicContact CE2-CB 4.31Å; F498-E502 HydrophobicContact CE2-CG 4.5Å; F498-E502 WeakPolarHBondContact CE2-OE2 3.37Å; F498-E502 WeakPolarHBondContact O-CB 3.46Å; F498-E502 PolarHBondContact O-N 3.3Å; F498-E502 VanDerWaalsContact O-N 3.13Å
503	K	83.9	Confident	89.9	Confident	83 Å²	83	43.6 Å²	43.6	36%	0.361	21%	0.209	S	C	.	.	S	Bend	trans	-105.6	1.4	178.9	-57.9	-59	-178.9	-167.4	0	113.6	F498 L499 L505 P621 L622	F498-K503 HydrophobicContact CE1-CG 4.07Å; F498-K503 HydrophobicContact CZ-CG 4.4Å; F498-K503 PolarHBondContact O-N 3.49Å; L499-K503 HydrophobicContact CD2-CG 4.5Å; L499-K503 CarbonylContact O-C 3.36Å; K503-L505 VanDerWaalsContact C-N 3.28Å; K503-L505 PolarHBondContact O-N 3.38Å; K503-P621 HydrophobicContact CG-CG 4.2Å; K503-L622 HydrophobicContact CB-CD1 4.28Å; K503-L622 HydrophobicContact CB-CD2 3.79Å; K503-L622 HydrophobicContact CB-CG 4.05Å
504	E	88.1	Confident	90.2	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.43	19%	0.193	S	C	.	.			trans	47.8	45.8	173.3	-58.5	-177	144.1	0	0	113.5	L499 M500 V506 L507 R508	L499-E504 PolarHBondContact O-N 2.72Å; M500-E504 WeakPolarHBondContact O-CA 3.13Å; M500-E504 PolarHBondContact O-N 3.31Å; E504-V506 PolarHBondContact O-N 2.8Å; E504-V506 VanDerWaalsContact O-N 3.09Å; E504-L507 HydrophobicContact CB-CB 4.26Å; E504-L507 HydrophobicContact CB-CD1 4.05Å; E504-L507 HydrophobicContact CB-CG 4.31Å; E504-L507 HydrophobicContact CG-CD1 4.32Å; E504-L507 PolarHBondContact O-N 3.1Å; E504-R508 PolarHBondContact O-N 3.26Å; E504-R508 VanDerWaalsContact O-N 3.17Å
505	L	90.9	Very high	90.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-48.4	-42.7	-175.7	173	70.1	0	0	0	113.1	L499 M500 K503 L507 R508 L509 L622 I625 I626 V718	L499-L505 PolarHBondContact O-N 3.38Å; M500-L505 HydrophobicContact CE-CD2 3.8Å; M500-L505 HydrophobicContact SD-CB 4.18Å; M500-L505 HydrophobicContact SD-CD2 3.91Å; K503-L505 VanDerWaalsContact C-N 3.28Å; K503-L505 PolarHBondContact O-N 3.38Å; L505-L507 VanDerWaalsContact C-N 3.33Å; L505-L507 PolarHBondContact O-N 3Å; L505-R508 WeakPolarHBondContact O-CB 3.37Å; L505-R508 PolarHBondContact O-N 3.07Å; L505-L509 HydrophobicContact CD1-CD1 4.36Å; L505-L509 HydrophobicContact CD1-CG 4.29Å; L505-L509 HydrophobicContact CG-CD1 4.16Å; L505-L509 HydrophobicContact CG-CG 4.46Å; L505-L509 WeakPolarHBondContact O-CG 3.49Å; L505-L509 PolarHBondContact O-N 3.38Å; L505-L622 HydrophobicContact CB-CD2 4Å; L505-L622 HydrophobicContact CD1-CD2 3.77Å; L505-L622 HydrophobicContact CG-CD2 4.48Å; L505-I625 HydrophobicContact CD1-CB 4.45Å; L505-I625 HydrophobicContact CD1-CD1 3.83Å; L505-I625 HydrophobicContact CD1-CG2 4.41Å; L505-I625 HydrophobicContact CD2-CD1 3.45Å; L505-I625 VanDerWaalsContact CD2-CD1 3.45Å; L505-I625 HydrophobicContact CG-CD1 4.26Å; L505-I626 HydrophobicContact CD1-CD1 4.31Å; L505-V718 HydrophobicContact CD2-CG1 4.02Å
506	V	91.6	Very high	90.6	Very high	45 Å²	45	38.6 Å²	38.6	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-39.4	-178.1	-179.2	0	0	0	0	111.5	M500 E504 L509 R510	M500-V506 HydrophobicContact SD-CG2 3.85Å; E504-V506 PolarHBondContact O-N 2.8Å; E504-V506 VanDerWaalsContact O-N 3.09Å; V506-L509 PolarHBondContact O-N 2.7Å; V506-R510 WeakPolarHBondContact O-CG 3.49Å; V506-R510 PolarHBondContact O-N 3.05Å
507	L	90.9	Very high	90.9	Very high	65 Å²	65	38.6 Å²	38.6	34%	0.34	19%	0.186	S	C	.	.	H	α-helix	trans	-67.7	-40.2	177	-63.9	-177.9	0	0	0	110.7	E504 L505 L509 R510 S511 F565	E504-L507 HydrophobicContact CB-CB 4.26Å; E504-L507 HydrophobicContact CB-CD1 4.05Å; E504-L507 HydrophobicContact CB-CG 4.31Å; E504-L507 HydrophobicContact CG-CD1 4.32Å; E504-L507 PolarHBondContact O-N 3.1Å; L505-L507 VanDerWaalsContact C-N 3.33Å; L505-L507 PolarHBondContact O-N 3Å; L507-L509 PolarHBondContact O-N 3.18Å; L507-R510 WeakPolarHBondContact O-CB 3.45Å; L507-R510 PolarHBondContact O-N 2.87Å; L507-R510 VanDerWaalsContact O-N 3.15Å; L507-S511 PolarHBondContact O-N 2.91Å; L507-S511 PolarHBondContact O-OG 2.77Å; L507-F565 HydrophobicContact CB-CE2 3.77Å
508	R	91.9	Very high	91	Very high	17 Å²	17	36 Å²	36	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.1	-158.6	82.7	170.1	-175.4	4	112.1	E504 L505 R510 S511 I512 D568 Y616 I617 L622 I626	E504-R508 PolarHBondContact O-N 3.26Å; E504-R508 VanDerWaalsContact O-N 3.17Å; L505-R508 WeakPolarHBondContact O-CB 3.37Å; L505-R508 PolarHBondContact O-N 3.07Å; R508-R510 VanDerWaalsContact C-N 3.32Å; R508-R510 PolarHBondContact O-N 2.93Å; R508-S511 WeakPolarHBondContact O-CB 3.4Å; R508-S511 PolarHBondContact O-N 3.12Å; R508-I512 PolarHBondContact O-N 3.39Å; R508-D568 IonicContact CZ-OD1 3.83Å; R508-D568 IonicContact CZ-OD2 3.03Å; R508-D568 IonicContact NH1-OD2 2.72Å; R508-D568 PolarHBondContact NH1-OD2 3.15Å; R508-D568 IonicContact NH2-OD1 3.74Å; R508-D568 PolarHBondContact NH2-OD1 3.02Å; R508-D568 IonicContact NH2-OD2 3.2Å; R508-D568 PolarHBondContact NH2-OD2 3.06Å; R508-Y616 VanDerWaalsContact CD-OH 3.26Å; R508-Y616 WeakPolarHBondContact CD-OH 3.49Å; R508-Y616 HydrophobicContact CG-CE1 4.01Å; R508-Y616 PolarHBondContact NE-OH 3.03Å; R508-Y616 VanDerWaalsContact NE-OH 3.1Å; R508-I617 PolarHBondContact NH2-O 3.42Å; R508-L622 HydrophobicContact CB-CD1 4.42Å; R508-L622 HydrophobicContact CG-CD1 4.16Å; R508-I626 HydrophobicContact CG-CD1 4.18Å
509	L	93.3	Very high	91.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-40	174.8	-71.8	174.9	0	0	0	111.1	L505 V506 L507 S511 I512 K513 I626 W702 L709	L505-L509 HydrophobicContact CD1-CD1 4.36Å; L505-L509 HydrophobicContact CD1-CG 4.29Å; L505-L509 HydrophobicContact CG-CD1 4.16Å; L505-L509 HydrophobicContact CG-CG 4.46Å; L505-L509 WeakPolarHBondContact O-CG 3.49Å; L505-L509 PolarHBondContact O-N 3.38Å; V506-L509 PolarHBondContact O-N 2.7Å; L507-L509 PolarHBondContact O-N 3.18Å; L509-S511 PolarHBondContact O-N 3.27Å; L509-I512 HydrophobicContact CD2-CD1 4.46Å; L509-I512 WeakPolarHBondContact O-CB 3.31Å; L509-I512 PolarHBondContact O-N 2.88Å; L509-I512 VanDerWaalsContact O-N 3.16Å; L509-K513 PolarHBondContact O-N 3.12Å; L509-I626 HydrophobicContact CD2-CD1 4.09Å; L509-I626 HydrophobicContact CD2-CG1 4.07Å; L509-W702 HydrophobicContact CB-CH2 3.98Å; L509-W702 VanDerWaalsContact O-CH2 3.28Å; L509-W702 WeakPolarHBondContact O-CH2 3.28Å; L509-L709 HydrophobicContact CD1-CD1 3.83Å
510	R	93.2	Very high	91.2	Very high	93 Å²	93	42.1 Å²	42.1	35%	0.351	20%	0.202	S	C	.	.	H	α-helix	trans	-61.9	-40.9	174.4	-73.6	176.6	-177.1	164.3	1.4	112.3	V506 L507 R508 I512 K513 H514 W702 E706	V506-R510 WeakPolarHBondContact O-CG 3.49Å; V506-R510 PolarHBondContact O-N 3.05Å; L507-R510 WeakPolarHBondContact O-CB 3.45Å; L507-R510 PolarHBondContact O-N 2.87Å; L507-R510 VanDerWaalsContact O-N 3.15Å; R508-R510 VanDerWaalsContact C-N 3.32Å; R508-R510 PolarHBondContact O-N 2.93Å; R510-I512 VanDerWaalsContact C-N 3.31Å; R510-I512 PolarHBondContact O-N 2.88Å; R510-K513 WeakPolarHBondContact O-CB 3.33Å; R510-K513 PolarHBondContact O-N 3.44Å; R510-K513 VanDerWaalsContact O-N 3.14Å; R510-H514 PolarHBondContact O-CD2 3.05Å; R510-H514 VanDerWaalsContact O-CD2 3.26Å; R510-H514 VanDerWaalsContact O-CG 3.28Å; R510-H514 PolarHBondContact O-N 3.19Å; R510-W702 HydrophobicContact CG-CZ2 4.08Å; R510-E706 IonicContact CZ-OE1 2.91Å; R510-E706 IonicContact NE-OE1 3.1Å; R510-E706 IonicContact NH2-OE1 2.96Å; R510-E706 PolarHBondContact NH2-OE1 3.19Å
511	S	93.7	Very high	91.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-42.4	171.9	-58.4	0	0	0	0	111.8	L507 R508 L509 K513 H514 Y515 D563	L507-S511 PolarHBondContact O-N 2.91Å; L507-S511 PolarHBondContact O-OG 2.77Å; R508-S511 WeakPolarHBondContact O-CB 3.4Å; R508-S511 PolarHBondContact O-N 3.12Å; L509-S511 PolarHBondContact O-N 3.27Å; S511-K513 VanDerWaalsContact C-N 3.33Å; S511-K513 PolarHBondContact O-N 3.45Å; S511-H514 WeakPolarHBondContact O-CB 3.49Å; S511-H514 PolarHBondContact O-N 2.98Å; S511-H514 VanDerWaalsContact O-N 3.16Å; S511-Y515 WeakPolarHBondContact O-CD2 3.36Å; S511-Y515 PolarHBondContact O-N 2.98Å; S511-D563 WeakPolarHBondContact CB-OD2 3.33Å; S511-D563 VanDerWaalsContact OG-CG 3.23Å; S511-D563 PolarHBondContact OG-OD1 3.11Å; S511-D563 PolarHBondContact OG-OD2 3.4Å
512	I	94.4	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174	-68.1	170.4	0	0	0	110.8	R508 L509 R510 H514 Y515 F516 Y616 I626 Y634	R508-I512 PolarHBondContact O-N 3.39Å; L509-I512 HydrophobicContact CD2-CD1 4.46Å; L509-I512 WeakPolarHBondContact O-CB 3.31Å; L509-I512 PolarHBondContact O-N 2.88Å; L509-I512 VanDerWaalsContact O-N 3.16Å; R510-I512 VanDerWaalsContact C-N 3.31Å; R510-I512 PolarHBondContact O-N 2.88Å; I512-H514 PolarHBondContact O-N 3.37Å; I512-Y515 PolarHBondContact O-N 3.34Å; I512-F516 HydrophobicContact CG2-CB 4.27Å; I512-F516 HydrophobicContact CG2-CD2 3.9Å; I512-F516 HydrophobicContact CG2-CG 4.28Å; I512-F516 WeakPolarHBondContact O-CB 3.21Å; I512-F516 PolarHBondContact O-N 2.54Å; I512-Y616 HydrophobicContact CD1-CD1 3.96Å; I512-Y616 HydrophobicContact CD1-CE1 4.04Å; I512-Y616 HydrophobicContact CG1-CD1 3.84Å; I512-Y616 HydrophobicContact CG1-CE1 3.84Å; I512-Y616 HydrophobicContact CG1-CG 4.25Å; I512-I626 HydrophobicContact CD1-CD1 3.73Å; I512-I626 HydrophobicContact CD1-CG1 4.25Å; I512-I626 HydrophobicContact CD1-CG2 3.85Å; I512-Y634 HydrophobicContact CG2-CD1 3.92Å; I512-Y634 HydrophobicContact CG2-CD2 4.13Å; I512-Y634 HydrophobicContact CG2-CE1 3.86Å; I512-Y634 HydrophobicContact CG2-CE2 4.08Å; I512-Y634 HydrophobicContact CG2-CG 4.06Å
513	K	94.9	Very high	92.1	Very high	17 Å²	17	33.8 Å²	33.8	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-44.1	173.4	168.3	172.8	179.4	176.3	0	112.2	L509 R510 S511 Y515 L517 D519 E699 W702	L509-K513 PolarHBondContact O-N 3.12Å; R510-K513 WeakPolarHBondContact O-CB 3.33Å; R510-K513 PolarHBondContact O-N 3.44Å; R510-K513 VanDerWaalsContact O-N 3.14Å; S511-K513 VanDerWaalsContact C-N 3.33Å; S511-K513 PolarHBondContact O-N 3.45Å; K513-Y515 VanDerWaalsContact C-N 3.27Å; K513-Y515 PolarHBondContact O-N 2.56Å; K513-L517 HydrophobicContact CB-CD1 4.18Å; K513-L517 HydrophobicContact CG-CB 4.29Å; K513-L517 HydrophobicContact CG-CD1 4.12Å; K513-L517 CarbonylContact O-C 3.49Å; K513-L517 WeakPolarHBondContact O-CB 3.09Å; K513-L517 PolarHBondContact O-N 3.03Å; K513-L517 VanDerWaalsContact O-N 3.15Å; K513-D519 HydrophobicContact CG-CB 4Å; K513-E699 WeakPolarHBondContact CE-OE2 3.07Å; K513-E699 IonicContact NZ-OE1 2.66Å; K513-E699 PolarHBondContact NZ-OE1 3.35Å; K513-E699 IonicContact NZ-OE2 3.61Å; K513-E699 PolarHBondContact NZ-OE2 2.88Å; K513-W702 HydrophobicContact CB-CE3 4.24Å; K513-W702 HydrophobicContact CB-CH2 3.75Å; K513-W702 HydrophobicContact CB-CZ2 4.08Å; K513-W702 HydrophobicContact CB-CZ3 3.83Å; K513-W702 HydrophobicContact CD-CD2 3.56Å; K513-W702 VanDerWaalsContact CD-CE2 3.49Å; K513-W702 HydrophobicContact CD-CE3 4.02Å; K513-W702 HydrophobicContact CD-CG 3.89Å; K513-W702 HydrophobicContact CD-CH2 4.33Å; K513-W702 HydrophobicContact CD-CZ2 3.91Å; K513-W702 HydrophobicContact CD-CZ3 4.38Å; K513-W702 VanDerWaalsContact NZ-CD1 3.31Å
514	H	93.4	Very high	92.5	Very high	39 Å²	39	30 Å²	30	18%	0.181	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-40	-178.9	-66.9	-33.7	0	0	0	113	R510 S511 I512 D519 K520 D563	R510-H514 PolarHBondContact O-CD2 3.05Å; R510-H514 VanDerWaalsContact O-CD2 3.26Å; R510-H514 VanDerWaalsContact O-CG 3.28Å; R510-H514 PolarHBondContact O-N 3.19Å; S511-H514 WeakPolarHBondContact O-CB 3.49Å; S511-H514 PolarHBondContact O-N 2.98Å; S511-H514 VanDerWaalsContact O-N 3.16Å; I512-H514 PolarHBondContact O-N 3.37Å; H514-D519 IonicContact CE1-OD2 3.44Å; H514-D519 PolarHBondContact CE1-OD2 3.15Å; H514-D519 VanDerWaalsContact CE1-OD2 3.26Å; H514-D519 IonicContact ND1-OD2 2.78Å; H514-D519 PolarHBondContact ND1-OD2 3.04Å; H514-K520 HydrophobicContact CB-CG 3.79Å; H514-K520 PolarHBondContact O-N 3.12Å; H514-D563 IonicContact CD2-OD2 2.59Å
515	Y	93.8	Very high	92.7	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-99.1	-47.3	-176.3	-52.2	-62.1	0	0	0	113.6	S511 I512 K513 F523 F524 L555 A560 K566 L569	S511-Y515 WeakPolarHBondContact O-CD2 3.36Å; S511-Y515 PolarHBondContact O-N 2.98Å; I512-Y515 PolarHBondContact O-N 3.34Å; K513-Y515 VanDerWaalsContact C-N 3.27Å; K513-Y515 PolarHBondContact O-N 2.56Å; Y515-F523 HydrophobicContact CD1-CD1 4.26Å; Y515-F523 HydrophobicContact CD1-CE1 4.13Å; Y515-F524 WeakPolarHBondContact O-CZ 3.19Å; Y515-L555 HydrophobicContact CE1-CD1 3.63Å; Y515-A560 HydrophobicContact CE1-CB 4.28Å; Y515-K566 WeakPolarHBondContact OH-CB 3.42Å; Y515-L569 HydrophobicContact CD1-CD2 3.75Å; Y515-L569 HydrophobicContact CD2-CD1 4.25Å; Y515-L569 HydrophobicContact CD2-CD2 4.29Å; Y515-L569 HydrophobicContact CE1-CD2 4.16Å; Y515-L569 HydrophobicContact CG-CD1 4.07Å; Y515-L569 HydrophobicContact CG-CD2 3.84Å
516	F	94.5	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-79.5	-32.7	-175.7	-73.3	-97.5	0	0	0	113.4	I512 L569 F614 Y616 L631 Y634 Q635 F638	I512-F516 HydrophobicContact CG2-CB 4.27Å; I512-F516 HydrophobicContact CG2-CD2 3.9Å; I512-F516 HydrophobicContact CG2-CG 4.28Å; I512-F516 WeakPolarHBondContact O-CB 3.21Å; I512-F516 PolarHBondContact O-N 2.54Å; F516-L569 HydrophobicContact CE2-CD1 4.41Å; F516-F614 HydrophobicContact CE1-CB 3.99Å; F516-F614 WeakPolarHBondContact CE1-O 3.41Å; F516-F614 HydrophobicContact CE2-CB 4.27Å; F516-F614 HydrophobicContact CZ-CB 3.77Å; F516-F614 WeakPolarHBondContact CZ-O 3.24Å; F516-Y616 HydrophobicContact CE2-CG 4.4Å; F516-L631 HydrophobicContact CE1-CD1 3.98Å; F516-L631 HydrophobicContact CE2-CD1 4.29Å; F516-L631 HydrophobicContact CZ-CD1 3.67Å; F516-Y634 HydrophobicContact CB-CD1 4.25Å; F516-Q635 HydrophobicContact CE1-CG 3.77Å; F516-F638 HydrophobicContact CB-CB 4.43Å; F516-F638 HydrophobicContact CD1-CB 4.03Å; F516-F638 WeakPolarHBondContact O-CA 3.5Å; F516-F638 WeakPolarHBondContact O-CB 3.35Å
517	L	94.3	Very high	93	Very high	11 Å²	11	30 Å²	30	6%	0.058	16%	0.156	C	C	.	.	S	Bend	trans	-99.6	7.4	178.6	-52	-179.2	0	0	0	112.8	K513 D519 Y634 L637 M641 M698 W702 F725	K513-L517 HydrophobicContact CB-CD1 4.18Å; K513-L517 HydrophobicContact CG-CB 4.29Å; K513-L517 HydrophobicContact CG-CD1 4.12Å; K513-L517 CarbonylContact O-C 3.49Å; K513-L517 WeakPolarHBondContact O-CB 3.09Å; K513-L517 PolarHBondContact O-N 3.03Å; K513-L517 VanDerWaalsContact O-N 3.15Å; L517-D519 VanDerWaalsContact C-N 3.31Å; L517-D519 PolarHBondContact O-N 3.18Å; L517-Y634 HydrophobicContact CD2-CD1 4.42Å; L517-L637 HydrophobicContact CD2-CD2 3.32Å; L517-L637 HydrophobicContact CD2-CG 4.13Å; L517-M641 WeakPolarHBondContact O-CE 3.44Å; L517-M698 HydrophobicContact CB-SD 4.46Å; L517-M698 HydrophobicContact CD2-SD 4.22Å; L517-W702 HydrophobicContact CD1-CE3 4.16Å; L517-W702 HydrophobicContact CD1-CZ3 4.5Å; L517-F725 HydrophobicContact CD1-CZ 3.89Å
518	M	92.4	Very high	93.1	Very high	14 Å²	14	27.1 Å²	27.1	7%	0.069	14%	0.141	C	C	.	.			trans	59.2	31.6	173.8	-50.1	178.6	67.7	0	0	115.8	K520 F524 F638 M641 K645 M694	M518-K520 PolarHBondContact O-N 3.27Å; M518-F524 HydrophobicContact CB-CD2 3.99Å; M518-F524 HydrophobicContact CB-CE2 3.81Å; M518-F524 HydrophobicContact CB-CZ 4.34Å; M518-F524 HydrophobicContact CE-CB 4.39Å; M518-F524 HydrophobicContact CE-CD1 3.79Å; M518-F524 HydrophobicContact CE-CD2 4.22Å; M518-F524 HydrophobicContact CE-CE1 4.15Å; M518-F524 HydrophobicContact CE-CG 3.83Å; M518-F524 HydrophobicContact CG-CD2 4.24Å; M518-F524 HydrophobicContact CG-CE1 4.26Å; M518-F524 HydrophobicContact CG-CE2 3.81Å; M518-F524 HydrophobicContact CG-CZ 3.82Å; M518-F638 HydrophobicContact CG-CD2 4.29Å; M518-F638 HydrophobicContact CG-CE2 4.32Å; M518-M641 HydrophobicContact CB-CE 4.15Å; M518-M641 HydrophobicContact CG-CE 4.17Å; M518-M641 HydrophobicContact SD-CB 3.57Å; M518-M641 VanDerWaalsContact SD-CB 3.57Å; M518-M641 HydrophobicContact SD-CE 4.1Å; M518-K645 HydrophobicContact CE-CB 3.9Å; M518-K645 HydrophobicContact CE-CG 3.96Å; M518-M694 HydrophobicContact CB-CE 4.35Å
519	D	90.8	Very high	93.1	Very high	75 Å²	75	30.3 Å²	30.3	40%	0.401	16%	0.159	S	C	.	.			trans	-65	-37	178.3	170	74.4	0	0	0	112.6	K513 H514 L517 G521	K513-D519 HydrophobicContact CG-CB 4Å; H514-D519 IonicContact CE1-OD2 3.44Å; H514-D519 PolarHBondContact CE1-OD2 3.15Å; H514-D519 VanDerWaalsContact CE1-OD2 3.26Å; H514-D519 IonicContact ND1-OD2 2.78Å; H514-D519 PolarHBondContact ND1-OD2 3.04Å; L517-D519 VanDerWaalsContact C-N 3.31Å; L517-D519 PolarHBondContact O-N 3.18Å; D519-G521 PolarHBondContact O-N 2.92Å; D519-G521 VanDerWaalsContact O-N 3.07Å
520	K	89.8	Confident	93.1	Very high	61 Å²	61	33.1 Å²	33.1	27%	0.265	17%	0.174	S	C	.	.			trans	-84.6	77.4	174	-63.8	-60.4	-177.2	-171	0	111.4	H514 M518 D522 F523 F524	H514-K520 HydrophobicContact CB-CG 3.79Å; H514-K520 PolarHBondContact O-N 3.12Å; M518-K520 PolarHBondContact O-N 3.27Å; K520-D522 VanDerWaalsContact C-N 3.26Å; K520-D522 PolarHBondContact O-N 3.12Å; K520-F523 HydrophobicContact CB-CB 4.3Å; K520-F523 WeakPolarHBondContact O-CB 3.32Å; K520-F523 PolarHBondContact O-N 3.4Å; K520-F524 WeakPolarHBondContact O-CD2 3.41Å
521	G	89.6	Confident	93	Very high	40 Å²	40	28.7 Å²	28.7	41%	0.412	16%	0.157	S	C	.	.	H	α-helix	trans	-61	-29.3	-178.2	0	0	0	0	0	114.8	D519 F524 V525	D519-G521 PolarHBondContact O-N 2.92Å; D519-G521 VanDerWaalsContact O-N 3.07Å; G521-F524 PolarHBondContact O-N 2.79Å; G521-V525 WeakPolarHBondContact O-CG2 3.11Å; G521-V525 PolarHBondContact O-N 2.97Å; G521-V525 VanDerWaalsContact O-N 3.11Å
522	D	93.6	Very high	92.7	Very high	50 Å²	50	30.3 Å²	30.3	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-40.6	177.5	67	-44.6	0	0	0	112.3	K520 V525 H526 S558 T559	K520-D522 VanDerWaalsContact C-N 3.26Å; K520-D522 PolarHBondContact O-N 3.12Å; D522-V525 PolarHBondContact O-N 3.22Å; D522-H526 PolarHBondContact O-CD2 3.34Å; D522-H526 VanDerWaalsContact O-CD2 3.23Å; D522-H526 PolarHBondContact O-N 3.19Å; D522-S558 PolarHBondContact OD1-OG 2.96Å; D522-S558 PolarHBondContact OD2-OG 3.09Å; D522-T559 VanDerWaalsContact CG-OG1 3.31Å; D522-T559 PolarHBondContact OD1-OG1 2.72Å; D522-T559 WeakPolarHBondContact OD2-CB 3.41Å; D522-T559 WeakPolarHBondContact OD2-CG2 3.29Å; D522-T559 PolarHBondContact OD2-N 2.74Å; D522-T559 PolarHBondContact OD2-OG1 2.94Å
523	F	94.8	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-47.7	172.8	162.5	-106	0	0	0	111.2	Y515 K520 V525 H526 F527 L551 A554 L555 S558 A560 L569 F614	Y515-F523 HydrophobicContact CD1-CD1 4.26Å; Y515-F523 HydrophobicContact CD1-CE1 4.13Å; K520-F523 HydrophobicContact CB-CB 4.3Å; K520-F523 WeakPolarHBondContact O-CB 3.32Å; K520-F523 PolarHBondContact O-N 3.4Å; F523-V525 VanDerWaalsContact C-N 3.35Å; F523-V525 PolarHBondContact O-N 3.46Å; F523-H526 PolarHBondContact O-N 2.75Å; F523-F527 HydrophobicContact CE2-CB 4.17Å; F523-F527 HydrophobicContact CZ-CB 4.15Å; F523-F527 HydrophobicContact CZ-CD2 4.33Å; F523-F527 HydrophobicContact CZ-CG 4.2Å; F523-F527 VanDerWaalsContact O-CB 3.24Å; F523-F527 WeakPolarHBondContact O-CB 3.47Å; F523-F527 PolarHBondContact O-N 2.99Å; F523-L551 HydrophobicContact CE2-CD1 3.77Å; F523-L551 HydrophobicContact CZ-CD1 3.48Å; F523-L551 VanDerWaalsContact CZ-CD1 3.48Å; F523-A554 HydrophobicContact CD2-CB 4.38Å; F523-A554 HydrophobicContact CE2-CB 4.11Å; F523-L555 HydrophobicContact CD2-CD1 4.16Å; F523-L555 HydrophobicContact CE2-CB 4.36Å; F523-L555 HydrophobicContact CE2-CD1 4.1Å; F523-S558 WeakPolarHBondContact CA-OG 3.48Å; F523-S558 WeakPolarHBondContact CB-OG 3.28Å; F523-S558 PolarHBondContact N-OG 3.4Å; F523-A560 HydrophobicContact CB-CB 4.28Å; F523-L569 HydrophobicContact CZ-CD2 4.36Å; F523-F614 HydrophobicContact CE1-CE2 4.24Å; F523-F614 AromaticContact CE1-CZ 3.95Å; F523-F614 HydrophobicContact CE1-CZ 3.95Å; F523-F614 AromaticContact CZ-CZ 3.96Å; F523-F614 HydrophobicContact CZ-CZ 3.96Å
524	F	93.3	Very high	92.2	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-35.7	-178.1	-80.4	-74.4	0	0	0	113.6	Y515 M518 K520 G521 M528 F614 F638 F642	Y515-F524 WeakPolarHBondContact O-CZ 3.19Å; M518-F524 HydrophobicContact CB-CD2 3.99Å; M518-F524 HydrophobicContact CB-CE2 3.81Å; M518-F524 HydrophobicContact CB-CZ 4.34Å; M518-F524 HydrophobicContact CE-CB 4.39Å; M518-F524 HydrophobicContact CE-CD1 3.79Å; M518-F524 HydrophobicContact CE-CD2 4.22Å; M518-F524 HydrophobicContact CE-CE1 4.15Å; M518-F524 HydrophobicContact CE-CG 3.83Å; M518-F524 HydrophobicContact CG-CD2 4.24Å; M518-F524 HydrophobicContact CG-CE1 4.26Å; M518-F524 HydrophobicContact CG-CE2 3.81Å; M518-F524 HydrophobicContact CG-CZ 3.82Å; K520-F524 WeakPolarHBondContact O-CD2 3.41Å; G521-F524 PolarHBondContact O-N 2.79Å; F524-M528 VanDerWaalsContact O-CB 3.29Å; F524-M528 WeakPolarHBondContact O-CB 3.5Å; F524-M528 WeakPolarHBondContact O-CG 3.3Å; F524-M528 PolarHBondContact O-N 3.47Å; F524-F614 AromaticContact CE1-CE2 3.73Å; F524-F614 HydrophobicContact CE1-CE2 3.73Å; F524-F614 HydrophobicContact CE1-CZ 4.34Å; F524-F614 AromaticContact CZ-CE2 3.8Å; F524-F614 HydrophobicContact CZ-CE2 3.8Å; F524-F638 AromaticContact CE1-CE2 3.59Å; F524-F638 HydrophobicContact CE1-CE2 3.59Å; F524-F638 HydrophobicContact CE1-CZ 4.12Å; F524-F638 AromaticContact CZ-CE2 3.77Å; F524-F638 HydrophobicContact CZ-CE2 3.77Å; F524-F642 HydrophobicContact CD1-CD2 4.4Å; F524-F642 HydrophobicContact CD1-CE2 4.44Å; F524-F642 HydrophobicContact CE1-CD2 4.32Å
525	V	92.5	Very high	92	Very high	72 Å²	72	33.8 Å²	33.8	44%	0.436	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-54.4	174.7	173.1	0	0	0	0	109.9	G521 D522 F523 F527 D529	G521-V525 WeakPolarHBondContact O-CG2 3.11Å; G521-V525 PolarHBondContact O-N 2.97Å; G521-V525 VanDerWaalsContact O-N 3.11Å; D522-V525 PolarHBondContact O-N 3.22Å; F523-V525 VanDerWaalsContact C-N 3.35Å; F523-V525 PolarHBondContact O-N 3.46Å; V525-F527 PolarHBondContact O-N 3.39Å; V525-D529 WeakPolarHBondContact O-CB 3.33Å; V525-D529 PolarHBondContact O-N 3.16Å
526	H	93.5	Very high	91.6	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.296	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-44.7	179	-68.2	-50.6	0	0	0	112.8	D522 F523 D529 L530	D522-H526 PolarHBondContact O-CD2 3.34Å; D522-H526 VanDerWaalsContact O-CD2 3.23Å; D522-H526 PolarHBondContact O-N 3.19Å; F523-H526 PolarHBondContact O-N 2.75Å; H526-D529 PolarHBondContact O-N 2.91Å; H526-L530 WeakPolarHBondContact O-CB 3.35Å; H526-L530 WeakPolarHBondContact O-CD1 3.4Å; H526-L530 VanDerWaalsContact O-CG 3.26Å; H526-L530 WeakPolarHBondContact O-CG 3.33Å; H526-L530 PolarHBondContact O-N 3.18Å
527	F	94.4	Very high	91.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-50.2	-179.1	176	-102.6	0	0	0	111.6	F523 V525 D529 L530 T531 L551 A554 F612 F614 F642	F523-F527 HydrophobicContact CE2-CB 4.17Å; F523-F527 HydrophobicContact CZ-CB 4.15Å; F523-F527 HydrophobicContact CZ-CD2 4.33Å; F523-F527 HydrophobicContact CZ-CG 4.2Å; F523-F527 VanDerWaalsContact O-CB 3.24Å; F523-F527 WeakPolarHBondContact O-CB 3.47Å; F523-F527 PolarHBondContact O-N 2.99Å; V525-F527 PolarHBondContact O-N 3.39Å; F527-D529 VanDerWaalsContact C-N 3.32Å; F527-D529 PolarHBondContact O-N 3.12Å; F527-L530 PolarHBondContact O-N 2.76Å; F527-T531 HydrophobicContact CD2-CG2 3.97Å; F527-T531 HydrophobicContact CE1-CG2 4.43Å; F527-T531 HydrophobicContact CE2-CG2 3.52Å; F527-T531 HydrophobicContact CZ-CG2 3.76Å; F527-T531 WeakPolarHBondContact O-CB 3.45Å; F527-T531 WeakPolarHBondContact O-CG2 3.39Å; F527-T531 PolarHBondContact O-N 2.99Å; F527-T531 PolarHBondContact O-OG1 3.35Å; F527-L551 HydrophobicContact CD2-CB 4.46Å; F527-L551 HydrophobicContact CD2-CD1 3.98Å; F527-L551 HydrophobicContact CE2-CB 4.04Å; F527-L551 HydrophobicContact CE2-CD1 3.95Å; F527-A554 HydrophobicContact CB-CB 3.87Å; F527-A554 HydrophobicContact CD2-CB 4.13Å; F527-F612 AromaticContact CE1-CE1 3.63Å; F527-F612 HydrophobicContact CE1-CE1 3.63Å; F527-F612 HydrophobicContact CE1-CE2 4.23Å; F527-F612 AromaticContact CE1-CZ 3.44Å; F527-F612 HydrophobicContact CE1-CZ 3.44Å; F527-F612 VanDerWaalsContact CE1-CZ 3.44Å; F527-F612 HydrophobicContact CE2-CZ 4.3Å; F527-F612 AromaticContact CZ-CE1 3.9Å; F527-F612 HydrophobicContact CZ-CE1 3.9Å; F527-F612 AromaticContact CZ-CE2 3.67Å; F527-F612 HydrophobicContact CZ-CE2 3.67Å; F527-F612 AromaticContact CZ-CZ 3.19Å; F527-F612 HydrophobicContact CZ-CZ 3.19Å; F527-F614 HydrophobicContact CE1-CZ 4.32Å; F527-F614 HydrophobicContact CZ-CZ 4.45Å; F527-F642 HydrophobicContact CD1-CE2 4.42Å; F527-F642 HydrophobicContact CE1-CE2 4.27Å; F527-F642 HydrophobicContact CE1-CZ 4.28Å
528	M	92.3	Very high	91	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.025	23%	0.227	C	C	.	.	H	α-helix	trans	-73.2	-23.1	-177.4	-60.9	-179.6	80.9	0	0	112.8	F524 E532 F642 K645 H646 R649	F524-M528 VanDerWaalsContact O-CB 3.29Å; F524-M528 WeakPolarHBondContact O-CB 3.5Å; F524-M528 WeakPolarHBondContact O-CG 3.3Å; F524-M528 PolarHBondContact O-N 3.47Å; M528-E532 WeakPolarHBondContact O-CB 3.45Å; M528-E532 PolarHBondContact O-N 3.5Å; M528-F642 HydrophobicContact CE-CD2 4.44Å; M528-F642 HydrophobicContact CE-CE2 3.89Å; M528-F642 HydrophobicContact CE-CZ 3.97Å; M528-F642 HydrophobicContact CG-CE2 3.66Å; M528-F642 HydrophobicContact CG-CZ 4.08Å; M528-F642 HydrophobicContact SD-CD2 4.45Å; M528-F642 HydrophobicContact SD-CE2 3.92Å; M528-K645 HydrophobicContact SD-CB 4.48Å; M528-K645 HydrophobicContact SD-CG 3.95Å; M528-H646 HydrophobicContact CE-CB 3.78Å; M528-R649 VanDerWaalsContact C-NH1 3.27Å; M528-R649 PolarHBondContact O-NH1 3.27Å; M528-R649 VanDerWaalsContact O-NH1 3.14Å
529	D	91.8	Very high	90.6	Very high	84 Å²	84	44.4 Å²	44.4	45%	0.449	23%	0.234	S	C	.	.	H	α-helix	trans	-70.9	-45.1	170.3	-72.2	-16.3	0	0	0	110.9	V525 H526 F527 R649	V525-D529 WeakPolarHBondContact O-CB 3.33Å; V525-D529 PolarHBondContact O-N 3.16Å; H526-D529 PolarHBondContact O-N 2.91Å; F527-D529 VanDerWaalsContact C-N 3.32Å; F527-D529 PolarHBondContact O-N 3.12Å; D529-R649 IonicContact OD1-CZ 2.98Å; D529-R649 VanDerWaalsContact OD1-CZ 3.25Å; D529-R649 IonicContact OD1-NE 2.71Å; D529-R649 IonicContact OD1-NH1 3.58Å; D529-R649 IonicContact OD1-NH2 2.7Å; D529-R649 PolarHBondContact OD1-NH2 3.5Å
530	L	93.1	Very high	90.3	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-69.8	-33.4	-177.7	-75.2	165.7	0	0	0	113.1	H526 F527 L550 L553 A554 M557	H526-L530 WeakPolarHBondContact O-CB 3.35Å; H526-L530 WeakPolarHBondContact O-CD1 3.4Å; H526-L530 VanDerWaalsContact O-CG 3.26Å; H526-L530 WeakPolarHBondContact O-CG 3.33Å; H526-L530 PolarHBondContact O-N 3.18Å; F527-L530 PolarHBondContact O-N 2.76Å; L530-L550 HydrophobicContact CB-CD2 4.4Å; L530-L553 HydrophobicContact CD1-CD2 4.29Å; L530-L553 HydrophobicContact CD1-CG 4.31Å; L530-L553 HydrophobicContact CD2-CD2 4.2Å; L530-A554 HydrophobicContact CD1-CB 3.93Å; L530-M557 HydrophobicContact CD1-SD 4.25Å
531	T	91.4	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-98.5	-5.5	-174.1	57.6	0	0	0	0	114.2	F527 E533 E534 L535 L547 L550	F527-T531 HydrophobicContact CD2-CG2 3.97Å; F527-T531 HydrophobicContact CE1-CG2 4.43Å; F527-T531 HydrophobicContact CE2-CG2 3.52Å; F527-T531 HydrophobicContact CZ-CG2 3.76Å; F527-T531 WeakPolarHBondContact O-CB 3.45Å; F527-T531 WeakPolarHBondContact O-CG2 3.39Å; F527-T531 PolarHBondContact O-N 2.99Å; F527-T531 PolarHBondContact O-OG1 3.35Å; T531-E533 VanDerWaalsContact C-N 3.33Å; T531-E533 PolarHBondContact O-N 3.24Å; T531-E534 PolarHBondContact O-N 3.46Å; T531-L535 WeakPolarHBondContact O-CG 3.48Å; T531-L535 PolarHBondContact O-N 3.48Å; T531-L535 WeakPolarHBondContact OG1-CD1 3.44Å; T531-L547 HydrophobicContact CG2-CD2 4.19Å; T531-L550 HydrophobicContact CG2-CB 3.84Å; T531-L550 HydrophobicContact CG2-CD1 4.06Å
532	E	88.5	Confident	90.3	Very high	37 Å²	37	48.4 Å²	48.4	17%	0.173	25%	0.249	C	C	.	.	H	α-helix	trans	-52.7	-47.9	-173.5	-168.1	174.2	150.7	0	0	113	M528 E534 K536 R649	M528-E532 WeakPolarHBondContact O-CB 3.45Å; M528-E532 PolarHBondContact O-N 3.5Å; E532-E534 VanDerWaalsContact C-N 3.31Å; E532-E534 PolarHBondContact O-N 2.82Å; E532-K536 HydrophobicContact CG-CD 4.44Å; E532-K536 VanDerWaalsContact O-CG 3.28Å; E532-K536 WeakPolarHBondContact O-CG 3.45Å; E532-K536 PolarHBondContact O-N 3.17Å; E532-K536 VanDerWaalsContact O-N 3.12Å; E532-K536 VanDerWaalsContact OE1-CE 3.31Å; E532-K536 WeakPolarHBondContact OE1-CE 3.41Å; E532-K536 IonicContact OE1-NZ 3.84Å; E532-K536 PolarHBondContact OE1-NZ 3.23Å; E532-R649 IonicContact OE2-NH2 2.58Å
533	E	88.4	Confident	90.1	Very high	126 Å²	126	49.6 Å²	49.6	59%	0.589	26%	0.257	S	S	*	.	H	α-helix	trans	-70.7	-26.3	-178.1	-64.1	-59.3	116.4	0	0	113.2	T531 K536	T531-E533 VanDerWaalsContact C-N 3.33Å; T531-E533 PolarHBondContact O-N 3.24Å; E533-K536 IonicContact OE1-NZ 3.94Å; E533-K536 PolarHBondContact OE1-NZ 3.1Å
534	E	89.1	Confident	89.9	Confident	3 Å²	3	53.1 Å²	53.1	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-84.3	-39.7	178.5	-152.7	66.9	-166.2	0	0	110.9	T531 E532 K537 R546 L547	T531-E534 PolarHBondContact O-N 3.46Å; E532-E534 VanDerWaalsContact C-N 3.31Å; E532-E534 PolarHBondContact O-N 2.82Å; E534-K537 WeakPolarHBondContact O-CB 3.31Å; E534-K537 PolarHBondContact O-N 3.41Å; E534-K537 IonicContact OE1-NZ 3.71Å; E534-K537 PolarHBondContact OE1-NZ 3.43Å; E534-K537 WeakPolarHBondContact OE2-CE 3.43Å; E534-K537 IonicContact OE2-NZ 2.79Å; E534-K537 PolarHBondContact OE2-NZ 2.86Å; E534-R546 IonicContact OE1-NE 2.94Å; E534-R546 IonicContact OE1-NH1 3.6Å; E534-R546 IonicContact OE2-CZ 2.79Å; E534-R546 IonicContact OE2-NE 3.58Å; E534-R546 PolarHBondContact OE2-NE 2.92Å; E534-R546 IonicContact OE2-NH1 3.19Å; E534-R546 PolarHBondContact OE2-NH1 3.48Å; E534-R546 VanDerWaalsContact OE2-NH1 3.1Å; E534-R546 IonicContact OE2-NH2 3.09Å; E534-R546 PolarHBondContact OE2-NH2 3.05Å; E534-L547 HydrophobicContact CB-CD2 3.84Å; E534-L547 HydrophobicContact CG-CD2 3.79Å; E534-L547 HydrophobicContact CG-CG 4.28Å
535	L	89	Confident	89.8	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-75.5	-20.9	-179.3	-65.1	175.6	0	0	0	113.5	T531 K537 L547 S607 G608 L609 F612 F642	T531-L535 WeakPolarHBondContact O-CG 3.48Å; T531-L535 PolarHBondContact O-N 3.48Å; T531-L535 WeakPolarHBondContact OG1-CD1 3.44Å; L535-K537 PolarHBondContact O-N 2.94Å; L535-L547 HydrophobicContact CD2-CD1 4.1Å; L535-L547 HydrophobicContact CD2-CD2 4.14Å; L535-L547 HydrophobicContact CG-CD2 4.46Å; L535-S607 PolarHBondContact O-OG 2.74Å; L535-G608 CarbonylContact O-C 3.6Å; L535-G608 VanDerWaalsContact O-CA 3.26Å; L535-G608 WeakPolarHBondContact O-CA 3.31Å; L535-G608 PolarHBondContact O-N 3.29Å; L535-L609 HydrophobicContact CB-CD2 3.67Å; L535-L609 HydrophobicContact CB-CG 3.73Å; L535-L609 HydrophobicContact CD1-CD2 3.97Å; L535-L609 HydrophobicContact CG-CD2 4.47Å; L535-L609 PolarHBondContact O-N 3.44Å; L535-L609 VanDerWaalsContact O-N 3.07Å; L535-F612 HydrophobicContact CD2-CB 4.22Å; L535-F612 HydrophobicContact CD2-CD2 3.99Å; L535-F612 HydrophobicContact CD2-CG 4.27Å; L535-F642 HydrophobicContact CD1-CZ 4.29Å
536	K	86.4	Confident	89.9	Confident	100 Å²	100	60.3 Å²	60.3	44%	0.435	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.8	171.6	-81.9	171.1	-173.6	159.9	0	113.2	E532 E533	E532-K536 HydrophobicContact CG-CD 4.44Å; E532-K536 VanDerWaalsContact O-CG 3.28Å; E532-K536 WeakPolarHBondContact O-CG 3.45Å; E532-K536 PolarHBondContact O-N 3.17Å; E532-K536 VanDerWaalsContact O-N 3.12Å; E532-K536 VanDerWaalsContact OE1-CE 3.31Å; E532-K536 WeakPolarHBondContact OE1-CE 3.41Å; E532-K536 IonicContact OE1-NZ 3.84Å; E532-K536 PolarHBondContact OE1-NZ 3.23Å; E533-K536 IonicContact OE1-NZ 3.94Å; E533-K536 PolarHBondContact OE1-NZ 3.1Å
537	K	89	Confident	89.8	Confident	68 Å²	68	57.3 Å²	57.3	30%	0.296	30%	0.298	S	S	.	.	S	Bend	trans	-68.3	157	179.4	-61.3	-178.9	-165.2	167.1	0	111.1	E534 L535 D541 I542 G608	E534-K537 WeakPolarHBondContact O-CB 3.31Å; E534-K537 PolarHBondContact O-N 3.41Å; E534-K537 IonicContact OE1-NZ 3.71Å; E534-K537 PolarHBondContact OE1-NZ 3.43Å; E534-K537 WeakPolarHBondContact OE2-CE 3.43Å; E534-K537 IonicContact OE2-NZ 2.79Å; E534-K537 PolarHBondContact OE2-NZ 2.86Å; L535-K537 PolarHBondContact O-N 2.94Å; K537-D541 HydrophobicContact CB-CB 4.25Å; K537-I542 HydrophobicContact CB-CG1 4.11Å; K537-G608 PolarHBondContact O-N 2.97Å
538	P	86.3	Confident	89.7	Confident	46 Å²	46	59.8 Å²	59.8	30%	0.299	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-63.7	151.5	168.5	30.2	-35.4	0	0	0	109.8	D540 D541 A605	P538-D540 PolarHBondContact O-N 3.2Å; P538-D540 VanDerWaalsContact O-N 3.12Å; P538-D541 HydrophobicContact CG-CB 3.9Å; P538-D541 WeakPolarHBondContact CG-OD2 3.46Å; P538-D541 PolarHBondContact O-N 2.94Å; P538-A605 HydrophobicContact CB-CB 4.29Å
539	V	85.6	Confident	89.8	Confident	34 Å²	34	62.2 Å²	62.2	21%	0.206	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-53.5	-36.1	-173.5	67.5	0	0	0	0	113.8	D541 I542 L573 L606 A611	V539-D541 VanDerWaalsContact C-N 3.3Å; V539-D541 PolarHBondContact O-N 3.38Å; V539-I542 PolarHBondContact O-N 3.35Å; V539-L573 HydrophobicContact CG2-CB 4.47Å; V539-L606 HydrophobicContact CG1-CB 4.42Å; V539-L606 PolarHBondContact N-O 3.09Å; V539-A611 HydrophobicContact CB-CB 4.28Å; V539-A611 HydrophobicContact CG2-CB 3.83Å
540	D	84.8	Confident	89.9	Confident	144 Å²	144	59.6 Å²	59.6	77%	0.77	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-70.2	-24.5	-178.8	-61.3	-39	0	0	0	113.4	P538	P538-D540 PolarHBondContact O-N 3.2Å; P538-D540 VanDerWaalsContact O-N 3.12Å
541	D	88.7	Confident	89.9	Confident	105 Å²	105	56.9 Å²	56.9	56%	0.561	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-90.4	-3.8	-179.3	-71.1	-17.5	0	0	0	112.7	K537 P538 V539	K537-D541 HydrophobicContact CB-CB 4.25Å; P538-D541 HydrophobicContact CG-CB 3.9Å; P538-D541 WeakPolarHBondContact CG-OD2 3.46Å; P538-D541 PolarHBondContact O-N 2.94Å; V539-D541 VanDerWaalsContact C-N 3.3Å; V539-D541 PolarHBondContact O-N 3.38Å
542	I	89.1	Confident	90	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.056	32%	0.322	C	S	.	.			trans	-83	132.3	-177.7	-66.3	175.6	0	0	0	109.8	K537 V539 P544 L547 L573	K537-I542 HydrophobicContact CB-CG1 4.11Å; V539-I542 PolarHBondContact O-N 3.35Å; I542-P544 VanDerWaalsContact O-CD 3.29Å; I542-P544 WeakPolarHBondContact O-CD 3.39Å; I542-L547 HydrophobicContact CG2-CD1 3.31Å; I542-L547 HydrophobicContact CG2-CG 3.85Å; I542-L573 HydrophobicContact CG2-CD1 4.11Å
543	V	90	Very high	90.3	Very high	75 Å²	75	63.2 Å²	63.2	46%	0.455	33%	0.334	S	S	.	.			trans	-95	106.7	177.2	-179.6	0	0	0	0	109.4	R546 L547	V543-R546 HydrophobicContact CB-CB 4.1Å; V543-R546 HydrophobicContact CG1-CB 4.14Å; V543-R546 WeakPolarHBondContact O-CB 3.41Å; V543-R546 PolarHBondContact O-N 3.05Å; V543-L547 PolarHBondContact O-N 3.27Å
544	P	89.7	Confident	90.6	Very high	74 Å²	74	57.2 Å²	57.2	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-41.5	-173.8	-21.7	32.7	0	0	0	114.5	I542 R546 L547 E548 L573	I542-P544 VanDerWaalsContact O-CD 3.29Å; I542-P544 WeakPolarHBondContact O-CD 3.39Å; P544-R546 PolarHBondContact O-N 3.45Å; P544-L547 PolarHBondContact O-N 3.32Å; P544-L547 VanDerWaalsContact O-N 3.12Å; P544-E548 PolarHBondContact O-N 3.22Å; P544-L573 HydrophobicContact CG-CD1 4.37Å
545	P	92.9	Very high	90.8	Very high	97 Å²	97	57.7 Å²	57.7	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-58.9	-30.4	175.3	-26.6	34.8	0	0	0	114	A549	P545-A549 WeakPolarHBondContact O-CB 3.5Å; P545-A549 PolarHBondContact O-N 3.17Å; P545-A549 VanDerWaalsContact O-N 3.12Å
546	R	93.2	Very high	91	Very high	131 Å²	131	65.1 Å²	65.1	49%	0.494	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-43.5	177	179.8	177	174.7	173.4	-0.8	110.8	E534 V543 P544 E548 A549 L550	E534-R546 IonicContact OE1-NE 2.94Å; E534-R546 IonicContact OE1-NH1 3.6Å; E534-R546 IonicContact OE2-CZ 2.79Å; E534-R546 IonicContact OE2-NE 3.58Å; E534-R546 PolarHBondContact OE2-NE 2.92Å; E534-R546 IonicContact OE2-NH1 3.19Å; E534-R546 PolarHBondContact OE2-NH1 3.48Å; E534-R546 VanDerWaalsContact OE2-NH1 3.1Å; E534-R546 IonicContact OE2-NH2 3.09Å; E534-R546 PolarHBondContact OE2-NH2 3.05Å; V543-R546 HydrophobicContact CB-CB 4.1Å; V543-R546 HydrophobicContact CG1-CB 4.14Å; V543-R546 WeakPolarHBondContact O-CB 3.41Å; V543-R546 PolarHBondContact O-N 3.05Å; P544-R546 PolarHBondContact O-N 3.45Å; R546-E548 VanDerWaalsContact C-N 3.33Å; R546-A549 PolarHBondContact O-N 2.95Å; R546-L550 HydrophobicContact CG-CD1 4.26Å; R546-L550 VanDerWaalsContact O-CG 3.31Å; R546-L550 WeakPolarHBondContact O-CG 3.25Å; R546-L550 PolarHBondContact O-N 2.9Å
547	L	91.4	Very high	91.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.5	-75.1	-174.6	0	0	0	111.4	T531 E534 L535 I542 V543 P544 A549 L550 L551 I571 L573	T531-L547 HydrophobicContact CG2-CD2 4.19Å; E534-L547 HydrophobicContact CB-CD2 3.84Å; E534-L547 HydrophobicContact CG-CD2 3.79Å; E534-L547 HydrophobicContact CG-CG 4.28Å; L535-L547 HydrophobicContact CD2-CD1 4.1Å; L535-L547 HydrophobicContact CD2-CD2 4.14Å; L535-L547 HydrophobicContact CG-CD2 4.46Å; I542-L547 HydrophobicContact CG2-CD1 3.31Å; I542-L547 HydrophobicContact CG2-CG 3.85Å; V543-L547 PolarHBondContact O-N 3.27Å; P544-L547 PolarHBondContact O-N 3.32Å; P544-L547 VanDerWaalsContact O-N 3.12Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.12Å; L547-L550 PolarHBondContact O-N 3.48Å; L547-L551 PolarHBondContact O-N 3.42Å; L547-I571 HydrophobicContact CB-CD1 3.54Å; L547-I571 HydrophobicContact CD1-CG2 4.42Å; L547-I571 VanDerWaalsContact O-CD1 3.25Å; L547-I571 WeakPolarHBondContact O-CD1 3.29Å; L547-L573 HydrophobicContact CD1-CD2 4.39Å
548	E	92.9	Very high	91.5	Very high	52 Å²	52	62.2 Å²	62.2	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-42.9	177.7	-172.7	71.9	-175.5	0	0	111.3	P544 R546 L550 L551 E552 K570 I571	P544-E548 PolarHBondContact O-N 3.22Å; R546-E548 VanDerWaalsContact C-N 3.33Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.35Å; E548-L551 WeakPolarHBondContact O-CB 3.49Å; E548-L551 PolarHBondContact O-N 3.14Å; E548-E552 PolarHBondContact O-N 3.24Å; E548-K570 WeakPolarHBondContact OE1-CD 3.23Å; E548-K570 IonicContact OE1-NZ 3.76Å; E548-K570 PolarHBondContact OE1-NZ 3.35Å; E548-I571 PolarHBondContact OE2-N 2.86Å
549	A	94.3	Very high	91.7	Very high	56 Å²	56	64.2 Å²	64.2	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-37.4	175.3	0	0	0	0	0	112.8	P545 R546 L547 L553	P545-A549 WeakPolarHBondContact O-CB 3.5Å; P545-A549 PolarHBondContact O-N 3.17Å; P545-A549 VanDerWaalsContact O-N 3.12Å; R546-A549 PolarHBondContact O-N 2.95Å; L547-A549 VanDerWaalsContact C-N 3.34Å; L547-A549 PolarHBondContact O-N 3.12Å; A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 PolarHBondContact O-N 3.5Å
550	L	94.3	Very high	91.9	Very high	30 Å²	30	62.7 Å²	62.7	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-37.1	175.3	-69.7	171.2	0	0	0	111.9	L530 T531 R546 L547 E548 L553 A554	L530-L550 HydrophobicContact CB-CD2 4.4Å; T531-L550 HydrophobicContact CG2-CB 3.84Å; T531-L550 HydrophobicContact CG2-CD1 4.06Å; R546-L550 HydrophobicContact CG-CD1 4.26Å; R546-L550 VanDerWaalsContact O-CG 3.31Å; R546-L550 WeakPolarHBondContact O-CG 3.25Å; R546-L550 PolarHBondContact O-N 2.9Å; L547-L550 PolarHBondContact O-N 3.48Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.35Å; L550-L553 PolarHBondContact O-N 2.91Å; L550-A554 WeakPolarHBondContact O-CB 3.35Å; L550-A554 PolarHBondContact O-N 3.1Å
551	L	93.8	Very high	92.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-50	172.6	171.6	64.7	0	0	0	111.1	F523 F527 L547 E548 L553 A554 L555 L569 I571 F614	F523-L551 HydrophobicContact CE2-CD1 3.77Å; F523-L551 HydrophobicContact CZ-CD1 3.48Å; F523-L551 VanDerWaalsContact CZ-CD1 3.48Å; F527-L551 HydrophobicContact CD2-CB 4.46Å; F527-L551 HydrophobicContact CD2-CD1 3.98Å; F527-L551 HydrophobicContact CE2-CB 4.04Å; F527-L551 HydrophobicContact CE2-CD1 3.95Å; L547-L551 PolarHBondContact O-N 3.42Å; E548-L551 WeakPolarHBondContact O-CB 3.49Å; E548-L551 PolarHBondContact O-N 3.14Å; L551-L553 VanDerWaalsContact C-N 3.27Å; L551-L553 PolarHBondContact O-N 2.8Å; L551-A554 PolarHBondContact O-N 3.3Å; L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.35Å; L551-L555 PolarHBondContact O-N 3.01Å; L551-L569 HydrophobicContact CD1-CD2 3.95Å; L551-L569 HydrophobicContact CD2-CD2 4.24Å; L551-L569 HydrophobicContact CD2-CG 4.26Å; L551-I571 HydrophobicContact CB-CD1 3.85Å; L551-I571 HydrophobicContact CB-CG1 4.34Å; L551-I571 HydrophobicContact CD2-CD1 4.07Å; L551-I571 HydrophobicContact CD2-CG1 3.6Å; L551-F614 HydrophobicContact CD1-CE1 3.84Å; L551-F614 HydrophobicContact CD1-CZ 4.29Å; L551-F614 HydrophobicContact CD2-CE1 4.27Å
552	E	93.1	Very high	92.3	Very high	91 Å²	91	60 Å²	60	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-39.8	178.9	-169.7	-175.6	170.5	0	0	111.6	E548 R556	E548-E552 PolarHBondContact O-N 3.24Å; E552-R556 WeakPolarHBondContact O-CG 3.23Å; E552-R556 PolarHBondContact O-N 2.75Å; E552-R556 VanDerWaalsContact O-N 3.1Å; E552-R556 IonicContact OE1-CZ 3.69Å; E552-R556 IonicContact OE1-NE 3.73Å; E552-R556 IonicContact OE1-NH1 3.53Å; E552-R556 IonicContact OE1-NH2 2.89Å; E552-R556 PolarHBondContact OE1-NH2 3.22Å
553	L	94.6	Very high	92.3	Very high	80 Å²	80	60.1 Å²	60.1	42%	0.419	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-49.5	174.6	-180	61.9	0	0	0	111.8	L530 A549 L550 L551 L555 R556 M557	L530-L553 HydrophobicContact CD1-CD2 4.29Å; L530-L553 HydrophobicContact CD1-CG 4.31Å; L530-L553 HydrophobicContact CD2-CD2 4.2Å; A549-L553 WeakPolarHBondContact O-CB 3.44Å; A549-L553 PolarHBondContact O-N 3.5Å; L550-L553 PolarHBondContact O-N 2.91Å; L551-L553 VanDerWaalsContact C-N 3.27Å; L551-L553 PolarHBondContact O-N 2.8Å; L553-L555 VanDerWaalsContact C-N 3.28Å; L553-L555 PolarHBondContact O-N 3.44Å; L553-R556 PolarHBondContact O-N 2.81Å; L553-M557 HydrophobicContact CD1-CG 4.41Å; L553-M557 HydrophobicContact CD1-SD 4.18Å; L553-M557 HydrophobicContact CG-SD 4.06Å; L553-M557 WeakPolarHBondContact O-CG 3.37Å; L553-M557 PolarHBondContact O-N 3.36Å
554	A	94	Very high	92.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-40	179	0	0	0	0	0	112	F523 F527 L530 L550 L551 R556 M557 S558	F523-A554 HydrophobicContact CD2-CB 4.38Å; F523-A554 HydrophobicContact CE2-CB 4.11Å; F527-A554 HydrophobicContact CB-CB 3.87Å; F527-A554 HydrophobicContact CD2-CB 4.13Å; L530-A554 HydrophobicContact CD1-CB 3.93Å; L550-A554 WeakPolarHBondContact O-CB 3.35Å; L550-A554 PolarHBondContact O-N 3.1Å; L551-A554 PolarHBondContact O-N 3.3Å; A554-R556 PolarHBondContact O-N 2.9Å; A554-M557 PolarHBondContact O-N 2.85Å; A554-S558 WeakPolarHBondContact O-CB 3.06Å; A554-S558 PolarHBondContact O-N 3.44Å; A554-S558 VanDerWaalsContact O-N 3.13Å
555	L	93.7	Very high	92.5	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-38.9	178.7	-165.9	66.3	0	0	0	112.2	Y515 F523 L551 L553 A560 K566	Y515-L555 HydrophobicContact CE1-CD1 3.63Å; F523-L555 HydrophobicContact CD2-CD1 4.16Å; F523-L555 HydrophobicContact CE2-CB 4.36Å; F523-L555 HydrophobicContact CE2-CD1 4.1Å; L551-L555 VanDerWaalsContact O-CB 3.31Å; L551-L555 WeakPolarHBondContact O-CB 3.35Å; L551-L555 PolarHBondContact O-N 3.01Å; L553-L555 VanDerWaalsContact C-N 3.28Å; L553-L555 PolarHBondContact O-N 3.44Å; L555-A560 HydrophobicContact CD1-CB 4.08Å; L555-K566 HydrophobicContact CD1-CB 4.33Å; L555-K566 HydrophobicContact CD2-CB 3.81Å; L555-K566 HydrophobicContact CD2-CD 4.1Å; L555-K566 HydrophobicContact CD2-CG 3.91Å; L555-K566 HydrophobicContact CG-CB 4.28Å; L555-K566 HydrophobicContact CG-CD 4.25Å
556	R	92.9	Very high	92.3	Very high	157 Å²	157	57 Å²	57	59%	0.592	29%	0.294	S	S	*	.	H	α-helix	trans	-70.8	-33.6	175.8	-74.7	174.9	176.2	174.1	2.3	113.4	E552 L553 A554 S558	E552-R556 WeakPolarHBondContact O-CG 3.23Å; E552-R556 PolarHBondContact O-N 2.75Å; E552-R556 VanDerWaalsContact O-N 3.1Å; E552-R556 IonicContact OE1-CZ 3.69Å; E552-R556 IonicContact OE1-NE 3.73Å; E552-R556 IonicContact OE1-NH1 3.53Å; E552-R556 IonicContact OE1-NH2 2.89Å; E552-R556 PolarHBondContact OE1-NH2 3.22Å; L553-R556 PolarHBondContact O-N 2.81Å; A554-R556 PolarHBondContact O-N 2.9Å; R556-S558 VanDerWaalsContact C-N 3.34Å
557	M	91.6	Very high	92.2	Very high	101 Å²	101	56.3 Å²	56.3	50%	0.498	30%	0.3	S	S	.	.	H	α-helix	trans	-74.2	-26.1	178.4	-70.7	177.8	65	0	0	112.8	L530 L553 A554	L530-M557 HydrophobicContact CD1-SD 4.25Å; L553-M557 HydrophobicContact CD1-CG 4.41Å; L553-M557 HydrophobicContact CD1-SD 4.18Å; L553-M557 HydrophobicContact CG-SD 4.06Å; L553-M557 WeakPolarHBondContact O-CG 3.37Å; L553-M557 PolarHBondContact O-N 3.36Å; A554-M557 PolarHBondContact O-N 2.85Å
558	S	93.9	Very high	92.2	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.042	31%	0.305	C	S	.	.	S	Bend	trans	-84.5	160.5	-177.7	170.6	0	0	0	0	113.1	D522 F523 A554 R556 A560 N561	D522-S558 PolarHBondContact OD1-OG 2.96Å; D522-S558 PolarHBondContact OD2-OG 3.09Å; F523-S558 WeakPolarHBondContact CA-OG 3.48Å; F523-S558 WeakPolarHBondContact CB-OG 3.28Å; F523-S558 PolarHBondContact N-OG 3.4Å; A554-S558 WeakPolarHBondContact O-CB 3.06Å; A554-S558 PolarHBondContact O-N 3.44Å; A554-S558 VanDerWaalsContact O-N 3.13Å; R556-S558 VanDerWaalsContact C-N 3.34Å; S558-A560 PolarHBondContact O-N 2.84Å; S558-A560 WeakPolarHBondContact OG-CB 3.46Å; S558-A560 PolarHBondContact OG-N 3.35Å; S558-N561 WeakPolarHBondContact O-CB 3.37Å; S558-N561 PolarHBondContact O-N 2.88Å
559	T	91.8	Very high	92.2	Very high	88 Å²	88	54.8 Å²	54.8	54%	0.54	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.3	-18.3	165.1	66.2	0	0	0	0	112.9	D522 N561 T562	D522-T559 VanDerWaalsContact CG-OG1 3.31Å; D522-T559 PolarHBondContact OD1-OG1 2.72Å; D522-T559 WeakPolarHBondContact OD2-CB 3.41Å; D522-T559 WeakPolarHBondContact OD2-CG2 3.29Å; D522-T559 PolarHBondContact OD2-N 2.74Å; D522-T559 PolarHBondContact OD2-OG1 2.94Å; T559-N561 PolarHBondContact O-N 2.88Å; T559-N561 VanDerWaalsContact O-N 3.08Å; T559-T562 PolarHBondContact O-N 2.96Å; T559-T562 PolarHBondContact O-OG1 3.03Å; T559-T562 VanDerWaalsContact O-OG1 3.1Å
560	A	89.8	Confident	92.1	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.025	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.5	-13.4	172.4	0	0	0	0	0	113.8	Y515 F523 L555 S558 T562 D563	Y515-A560 HydrophobicContact CE1-CB 4.28Å; F523-A560 HydrophobicContact CB-CB 4.28Å; L555-A560 HydrophobicContact CD1-CB 4.08Å; S558-A560 PolarHBondContact O-N 2.84Å; S558-A560 WeakPolarHBondContact OG-CB 3.46Å; S558-A560 PolarHBondContact OG-N 3.35Å; A560-T562 PolarHBondContact O-N 3.26Å; A560-T562 VanDerWaalsContact O-N 3.13Å; A560-D563 WeakPolarHBondContact O-CB 3.35Å; A560-D563 PolarHBondContact O-N 2.95Å; A560-D563 VanDerWaalsContact O-N 3.08Å
561	N	90.4	Very high	91.9	Very high	69 Å²	69	55.3 Å²	55.3	37%	0.369	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.1	-18.6	173.8	-169.4	19.9	0	0	0	113.5	S558 T559 D563 K566	S558-N561 WeakPolarHBondContact O-CB 3.37Å; S558-N561 PolarHBondContact O-N 2.88Å; T559-N561 PolarHBondContact O-N 2.88Å; T559-N561 VanDerWaalsContact O-N 3.08Å; N561-D563 VanDerWaalsContact C-N 3.27Å; N561-D563 PolarHBondContact O-N 3.43Å; N561-K566 PolarHBondContact O-NZ 3.22Å; N561-K566 WeakPolarHBondContact OD1-CE 3.1Å; N561-K566 PolarHBondContact OD1-NZ 2.73Å
562	T	90.4	Very high	91.7	Very high	122 Å²	122	57.5 Å²	57.5	75%	0.748	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-75	-13.8	175.5	60.6	0	0	0	0	113.8	T559 A560 P564	T559-T562 PolarHBondContact O-N 2.96Å; T559-T562 PolarHBondContact O-OG1 3.03Å; T559-T562 VanDerWaalsContact O-OG1 3.1Å; A560-T562 PolarHBondContact O-N 3.26Å; A560-T562 VanDerWaalsContact O-N 3.13Å; T562-P564 WeakPolarHBondContact O-CD 3.43Å
563	D	90.6	Very high	91.4	Very high	14 Å²	14	55.1 Å²	55.1	8%	0.075	29%	0.287	C	S	.	.			trans	-69.7	124.6	179.2	-173.2	-15.5	0	0	0	110.6	S511 H514 A560 N561 F565 K566	S511-D563 WeakPolarHBondContact CB-OD2 3.33Å; S511-D563 VanDerWaalsContact OG-CG 3.23Å; S511-D563 PolarHBondContact OG-OD1 3.11Å; S511-D563 PolarHBondContact OG-OD2 3.4Å; H514-D563 IonicContact CD2-OD2 2.59Å; A560-D563 WeakPolarHBondContact O-CB 3.35Å; A560-D563 PolarHBondContact O-N 2.95Å; A560-D563 VanDerWaalsContact O-N 3.08Å; N561-D563 VanDerWaalsContact C-N 3.27Å; N561-D563 PolarHBondContact O-N 3.43Å; D563-F565 VanDerWaalsContact C-N 3.27Å; D563-F565 PolarHBondContact O-N 2.96Å; D563-F565 PolarHBondContact OD1-N 3.07Å; D563-K566 HydrophobicContact CB-CB 4.21Å
564	P	90.4	Very high	90.9	Very high	101 Å²	101	52.7 Å²	52.7	66%	0.656	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.1	175.4	-22.6	34.1	0	0	0	114.4	T562	T562-P564 WeakPolarHBondContact O-CD 3.43Å
565	F	91.6	Very high	90.1	Very high	36 Å²	36	57 Å²	57	16%	0.158	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	20.9	-171.7	-51.1	-62.6	0	0	0	113.3	L507 D563 D567 D568 Y616	L507-F565 HydrophobicContact CB-CE2 3.77Å; D563-F565 VanDerWaalsContact C-N 3.27Å; D563-F565 PolarHBondContact O-N 2.96Å; D563-F565 PolarHBondContact OD1-N 3.07Å; F565-D567 VanDerWaalsContact C-N 3.28Å; F565-D567 PolarHBondContact O-N 2.97Å; F565-D568 PolarHBondContact O-N 2.91Å; F565-Y616 WeakPolarHBondContact CB-OH 3.35Å
566	K	90.4	Very high	89.5	Confident	44 Å²	44	58.4 Å²	58.4	19%	0.191	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.2	-29.3	-177.8	76.2	-176.3	170.2	-126.7	0	113.6	Y515 L555 N561 D563 D568 L569	Y515-K566 WeakPolarHBondContact OH-CB 3.42Å; L555-K566 HydrophobicContact CD1-CB 4.33Å; L555-K566 HydrophobicContact CD2-CB 3.81Å; L555-K566 HydrophobicContact CD2-CD 4.1Å; L555-K566 HydrophobicContact CD2-CG 3.91Å; L555-K566 HydrophobicContact CG-CB 4.28Å; L555-K566 HydrophobicContact CG-CD 4.25Å; N561-K566 PolarHBondContact O-NZ 3.22Å; N561-K566 WeakPolarHBondContact OD1-CE 3.1Å; N561-K566 PolarHBondContact OD1-NZ 2.73Å; D563-K566 HydrophobicContact CB-CB 4.21Å; K566-D568 PolarHBondContact O-N 3.49Å; K566-L569 WeakPolarHBondContact O-CB 2.93Å; K566-L569 PolarHBondContact O-N 3.23Å
567	D	90.5	Very high	88.7	Confident	116 Å²	116	53 Å²	53	62%	0.62	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.6	-16.7	-177.2	-63.8	-17.7	0	0	0	112.9	F565 L569 K570	F565-D567 VanDerWaalsContact C-N 3.28Å; F565-D567 PolarHBondContact O-N 2.97Å; D567-L569 VanDerWaalsContact C-N 3.25Å; D567-L569 PolarHBondContact O-N 3.41Å; D567-K570 PolarHBondContact O-NZ 3.47Å
568	D	91.3	Very high	87.9	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.091	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-78.2	-10.9	178.7	-63	-66	0	0	0	112.7	R508 F565 K566 Y616 I617	R508-D568 IonicContact CZ-OD1 3.83Å; R508-D568 IonicContact CZ-OD2 3.03Å; R508-D568 IonicContact NH1-OD2 2.72Å; R508-D568 PolarHBondContact NH1-OD2 3.15Å; R508-D568 IonicContact NH2-OD1 3.74Å; R508-D568 PolarHBondContact NH2-OD1 3.02Å; R508-D568 IonicContact NH2-OD2 3.2Å; R508-D568 PolarHBondContact NH2-OD2 3.06Å; F565-D568 PolarHBondContact O-N 2.91Å; K566-D568 PolarHBondContact O-N 3.49Å; D568-Y616 HydrophobicContact CB-CD2 4.18Å; D568-Y616 HydrophobicContact CB-CE2 3.69Å; D568-Y616 WeakPolarHBondContact O-CA 3.34Å; D568-I617 HydrophobicContact CB-CB 4.37Å; D568-I617 PolarHBondContact O-N 2.96Å
569	L	92.8	Very high	86.9	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.6	174	-169.5	68.2	0	0	0	110.4	Y515 F516 F523 L551 K566 D567 F614	Y515-L569 HydrophobicContact CD1-CD2 3.75Å; Y515-L569 HydrophobicContact CD2-CD1 4.25Å; Y515-L569 HydrophobicContact CD2-CD2 4.29Å; Y515-L569 HydrophobicContact CE1-CD2 4.16Å; Y515-L569 HydrophobicContact CG-CD1 4.07Å; Y515-L569 HydrophobicContact CG-CD2 3.84Å; F516-L569 HydrophobicContact CE2-CD1 4.41Å; F523-L569 HydrophobicContact CZ-CD2 4.36Å; L551-L569 HydrophobicContact CD1-CD2 3.95Å; L551-L569 HydrophobicContact CD2-CD2 4.24Å; L551-L569 HydrophobicContact CD2-CG 4.26Å; K566-L569 WeakPolarHBondContact O-CB 2.93Å; K566-L569 PolarHBondContact O-N 3.23Å; D567-L569 VanDerWaalsContact C-N 3.25Å; D567-L569 PolarHBondContact O-N 3.41Å; L569-F614 HydrophobicContact CD1-CB 3.83Å; L569-F614 HydrophobicContact CD1-CD1 3.87Å; L569-F614 HydrophobicContact CD1-CD2 4.4Å; L569-F614 HydrophobicContact CD1-CG 3.8Å; L569-F614 HydrophobicContact CD2-CD1 4.24Å; L569-F614 HydrophobicContact CD2-CE1 4.13Å; L569-F614 HydrophobicContact CD2-CZ 4.49Å; L569-F614 HydrophobicContact CG-CD1 4.06Å; L569-F614 HydrophobicContact CG-CE1 4.41Å; L569-F614 HydrophobicContact CG-CG 4.48Å
570	K	91.8	Very high	86.2	Confident	67 Å²	67	48.1 Å²	48.1	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.7	177.9	-65.4	-68.1	158.3	-127.8	0	111.2	E548 D567 F614 D615 I617	E548-K570 WeakPolarHBondContact OE1-CD 3.23Å; E548-K570 IonicContact OE1-NZ 3.76Å; E548-K570 PolarHBondContact OE1-NZ 3.35Å; D567-K570 PolarHBondContact O-NZ 3.47Å; K570-F614 CarbonylContact O-C 3.57Å; K570-F614 WeakPolarHBondContact O-CA 3.43Å; K570-D615 HydrophobicContact CB-CB 4.3Å; K570-D615 PolarHBondContact N-O 2.89Å; K570-D615 PolarHBondContact O-N 3.27Å; K570-I617 HydrophobicContact CD-CD1 4.16Å; K570-I617 HydrophobicContact CG-CD1 3.63Å; K570-I617 HydrophobicContact CG-CG1 3.88Å
571	I	91.3	Very high	85.5	Confident	30 Å²	30	48.5 Å²	48.5	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133	171.6	-58.8	179.5	0	0	0	109.3	L547 E548 L551 F612	L547-I571 HydrophobicContact CB-CD1 3.54Å; L547-I571 HydrophobicContact CD1-CG2 4.42Å; L547-I571 VanDerWaalsContact O-CD1 3.25Å; L547-I571 WeakPolarHBondContact O-CD1 3.29Å; E548-I571 PolarHBondContact OE2-N 2.86Å; L551-I571 HydrophobicContact CB-CD1 3.85Å; L551-I571 HydrophobicContact CB-CG1 4.34Å; L551-I571 HydrophobicContact CD2-CD1 4.07Å; L551-I571 HydrophobicContact CD2-CG1 3.6Å; I571-F612 HydrophobicContact CB-CE2 4.46Å; I571-F612 HydrophobicContact CD1-CE2 4.21Å; I571-F612 HydrophobicContact CG1-CE2 4.14Å; I571-F612 HydrophobicContact CG2-CD2 4.03Å; I571-F612 HydrophobicContact CG2-CE2 3.67Å
572	D	88.1	Confident	84.6	Confident	49 Å²	49	45.7 Å²	45.7	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.4	170.4	-167.2	11.7	0	0	0	108.9	S613 D615 R628	D572-S613 PolarHBondContact N-O 2.89Å; D572-S613 PolarHBondContact O-N 3.42Å; D572-S613 PolarHBondContact O-OG 3.32Å; D572-D615 HydrophobicContact CB-CB 4Å; D572-R628 IonicContact OD2-NH2 3.55Å
573	L	87.9	Confident	83.6	Confident	42 Å²	42	43 Å²	43	22%	0.22	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.9	179.7	-69.4	175.1	0	0	0	107.7	V539 I542 P544 L547	V539-L573 HydrophobicContact CG2-CB 4.47Å; I542-L573 HydrophobicContact CG2-CD1 4.11Å; P544-L573 HydrophobicContact CG-CD1 4.37Å; L547-L573 HydrophobicContact CD1-CD2 4.39Å
574	M	83.3	Confident	82.4	Confident	28 Å²	28	45.9 Å²	45.9	14%	0.138	24%	0.242	C	C	.	.			trans	-72.7	135	-176.9	-65.8	-63	-74	0	0	110.4	H576 Q581 A611 S613	M574-H576 PolarHBondContact O-N 3.32Å; M574-H576 VanDerWaalsContact O-N 3.11Å; M574-Q581 HydrophobicContact CE-CG 4.22Å; M574-A611 PolarHBondContact N-O 2.83Å; M574-S613 VanDerWaalsContact CG-OG 3.29Å; M574-S613 WeakPolarHBondContact CG-OG 3.37Å
575	P	78.3	Confident	81.3	Confident	92 Å²	92	43.5 Å²	43.5	60%	0.597	23%	0.225	S	C	*	.	S	Bend	trans	-71.6	-5.2	179.7	28.8	-35.3	0	0	0	113.5
576	H	80.1	Confident	79.8	Confident	41 Å²	41	45 Å²	45	19%	0.19	24%	0.235	C	C	.	.	S	Bend	trans	-139.2	149.4	-171.9	-51.5	-42.3	0	0	0	110.8	M574 T580 R584 R639	M574-H576 PolarHBondContact O-N 3.32Å; M574-H576 VanDerWaalsContact O-N 3.11Å; H576-T580 HydrophobicContact CB-CG2 4.01Å; H576-R584 PolarHBondContact NE2-NH1 2.71Å; H576-R639 PolarHBondContact O-NH1 2.72Å; H576-R639 PolarHBondContact O-NH2 2.87Å
577	D	76.3	Confident	78.2	Confident	42 Å²	42	43.1 Å²	43.1	23%	0.225	23%	0.228	C	C	.	.			trans	-65.1	169.3	172	72.5	-27.3	0	0	0	112.2	I579 T580 Q581 L606	D577-I579 VanDerWaalsContact C-N 3.26Å; D577-I579 PolarHBondContact O-N 3.04Å; D577-T580 PolarHBondContact O-N 3.39Å; D577-T580 WeakPolarHBondContact OD1-CA 3.4Å; D577-T580 WeakPolarHBondContact OD1-CB 3.16Å; D577-T580 PolarHBondContact OD1-N 2.77Å; D577-T580 PolarHBondContact OD1-OG1 3.18Å; D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 PolarHBondContact O-N 3.33Å; D577-L606 HydrophobicContact CB-CD1 4.38Å
578	V	74.9	Confident	76.4	Confident	25 Å²	25	43.8 Å²	43.8	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-36.2	-177.7	-180	0	0	0	0	111.5	Q581 L582 R639 L735	V578-Q581 PolarHBondContact O-N 3.08Å; V578-L582 WeakPolarHBondContact O-CB 3.38Å; V578-L582 PolarHBondContact O-N 3.1Å; V578-R639 HydrophobicContact CG2-CB 3.46Å; V578-R639 VanDerWaalsContact CG2-CB 3.46Å; V578-R639 HydrophobicContact CG2-CG 4.38Å; V578-L735 HydrophobicContact CG1-CD2 4.39Å
579	I	73.9	Confident	74.4	Confident	31 Å²	31	49.8 Å²	49.8	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-47.9	-179.6	-53.8	178.3	0	0	0	110.4	D577 Q581 L582 L583 L741	D577-I579 VanDerWaalsContact C-N 3.26Å; D577-I579 PolarHBondContact O-N 3.04Å; I579-Q581 VanDerWaalsContact C-N 3.31Å; I579-Q581 PolarHBondContact O-N 3.06Å; I579-L582 WeakPolarHBondContact O-CB 3.46Å; I579-L582 PolarHBondContact O-N 3.08Å; I579-L583 HydrophobicContact CG2-CD1 4.04Å; I579-L583 HydrophobicContact CG2-CG 4.43Å; I579-L583 WeakPolarHBondContact O-CG 3.4Å; I579-L583 PolarHBondContact O-N 3.13Å; I579-L741 HydrophobicContact CG1-CD2 4.11Å; I579-L741 HydrophobicContact CG1-CG 4.17Å
580	T	75.9	Confident	72.1	Confident	38 Å²	38	53 Å²	53	23%	0.233	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-36	178.2	-56.5	0	0	0	0	111.2	H576 D577 L582 L583 R584	H576-T580 HydrophobicContact CB-CG2 4.01Å; D577-T580 PolarHBondContact O-N 3.39Å; D577-T580 WeakPolarHBondContact OD1-CA 3.4Å; D577-T580 WeakPolarHBondContact OD1-CB 3.16Å; D577-T580 PolarHBondContact OD1-N 2.77Å; D577-T580 PolarHBondContact OD1-OG1 3.18Å; T580-L582 VanDerWaalsContact C-N 3.34Å; T580-L583 PolarHBondContact O-N 3.24Å; T580-R584 WeakPolarHBondContact O-CB 3.39Å; T580-R584 WeakPolarHBondContact O-CG 3.06Å; T580-R584 PolarHBondContact O-N 3.13Å
581	Q	76.1	Confident	70	Confident	11 Å²	11	60.4 Å²	60.4	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-46.3	172.1	-167.1	-166.7	-5.2	0	0	110.9	M574 D577 V578 I579 R584 V585 M636	M574-Q581 HydrophobicContact CE-CG 4.22Å; D577-Q581 WeakPolarHBondContact O-CB 3.42Å; D577-Q581 PolarHBondContact O-N 3.33Å; V578-Q581 PolarHBondContact O-N 3.08Å; I579-Q581 VanDerWaalsContact C-N 3.31Å; I579-Q581 PolarHBondContact O-N 3.06Å; Q581-R584 PolarHBondContact O-N 3.21Å; Q581-V585 WeakPolarHBondContact O-CG2 3.46Å; Q581-V585 PolarHBondContact O-N 3.15Å; Q581-M636 HydrophobicContact CB-CE 4.28Å; Q581-M636 HydrophobicContact CG-CE 3.6Å; Q581-M636 HydrophobicContact CG-CG 4.5Å
582	L	71.6	Confident	67.7	Low	9 Å²	9	65.7 Å²	65.7	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-48.5	178.4	-168.3	111.8	0	0	0	112.3	V578 I579 T580 R584 V585 L586 L735 L741	V578-L582 WeakPolarHBondContact O-CB 3.38Å; V578-L582 PolarHBondContact O-N 3.1Å; I579-L582 WeakPolarHBondContact O-CB 3.46Å; I579-L582 PolarHBondContact O-N 3.08Å; T580-L582 VanDerWaalsContact C-N 3.34Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 2.99Å; L582-V585 PolarHBondContact O-N 3.47Å; L582-V585 VanDerWaalsContact O-N 3.15Å; L582-L586 HydrophobicContact CD2-CD1 3.52Å; L582-L586 HydrophobicContact CD2-CG 4.43Å; L582-L586 HydrophobicContact CG-CD1 4.06Å; L582-L586 HydrophobicContact CG-CG 4.47Å; L582-L586 WeakPolarHBondContact O-CG 3.41Å; L582-L586 PolarHBondContact O-N 2.96Å; L582-L735 HydrophobicContact CD1-CB 4Å; L582-L735 WeakPolarHBondContact CD1-O 3.42Å; L582-L735 WeakPolarHBondContact CD2-O 3.38Å; L582-L741 HydrophobicContact CB-CD2 4.43Å; L582-L741 HydrophobicContact CD1-CD2 4.39Å; L582-L741 HydrophobicContact CD2-CD2 4.14Å
583	L	67.8	Low	65.8	Low	66 Å²	66	68.6 Å²	68.6	35%	0.346	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-37	178.5	-71.7	172.9	0	0	0	111.7	I579 T580 A587 P738	I579-L583 HydrophobicContact CG2-CD1 4.04Å; I579-L583 HydrophobicContact CG2-CG 4.43Å; I579-L583 WeakPolarHBondContact O-CG 3.4Å; I579-L583 PolarHBondContact O-N 3.13Å; T580-L583 PolarHBondContact O-N 3.24Å; L583-A587 WeakPolarHBondContact O-CB 3.46Å; L583-A587 PolarHBondContact O-N 3.19Å; L583-P738 HydrophobicContact CD2-CB 4.04Å
584	R	66.1	Low	63.7	Low	74 Å²	74	74.8 Å²	74.8	28%	0.279	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-44.3	173.4	-77	-178.1	177.9	-142.6	-1.7	112	H576 T580 Q581 L582 A587 I588 I596	H576-R584 PolarHBondContact NE2-NH1 2.71Å; T580-R584 WeakPolarHBondContact O-CB 3.39Å; T580-R584 WeakPolarHBondContact O-CG 3.06Å; T580-R584 PolarHBondContact O-N 3.13Å; Q581-R584 PolarHBondContact O-N 3.21Å; L582-R584 VanDerWaalsContact C-N 3.27Å; L582-R584 PolarHBondContact O-N 2.99Å; R584-A587 PolarHBondContact O-N 3.08Å; R584-I588 VanDerWaalsContact O-CG1 3.32Å; R584-I588 WeakPolarHBondContact O-CG1 3.28Å; R584-I588 PolarHBondContact O-N 3.26Å; R584-I596 HydrophobicContact CG-CG2 4.29Å
585	V	67.6	Low	61.9	Low	51 Å²	51	77.2 Å²	77.2	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-66	-40.9	178.8	171	0	0	0	0	112.1	Q581 L582 A587 I588 T632 M636	Q581-V585 WeakPolarHBondContact O-CG2 3.46Å; Q581-V585 PolarHBondContact O-N 3.15Å; L582-V585 PolarHBondContact O-N 3.47Å; L582-V585 VanDerWaalsContact O-N 3.15Å; V585-A587 VanDerWaalsContact C-N 3.32Å; V585-I588 WeakPolarHBondContact O-CB 3.4Å; V585-I588 PolarHBondContact O-N 3.44Å; V585-T632 HydrophobicContact CG2-CG2 4.38Å; V585-M636 HydrophobicContact CB-CE 3.75Å; V585-M636 HydrophobicContact CG1-CE 4.29Å; V585-M636 HydrophobicContact CG2-CE 3.36Å
586	L	59.8	Low	60.5	Low	67 Å²	67	75.5 Å²	75.5	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-32.2	173.3	-67.9	174.2	0	0	0	112.2	L582 I588 E589	L582-L586 HydrophobicContact CD2-CD1 3.52Å; L582-L586 HydrophobicContact CD2-CG 4.43Å; L582-L586 HydrophobicContact CG-CD1 4.06Å; L582-L586 HydrophobicContact CG-CG 4.47Å; L582-L586 WeakPolarHBondContact O-CG 3.41Å; L582-L586 PolarHBondContact O-N 2.96Å; L586-I588 VanDerWaalsContact C-N 3.33Å; L586-E589 PolarHBondContact O-N 3.21Å
587	A	56.6	Low	59	Low	6 Å²	6	77.7 Å²	77.7	5%	0.05	39%	0.393	C	S	.	.	H	α-helix	trans	-69.9	-26.3	175.1	0	0	0	0	0	113.2	L583 R584 V585 E589 T590 I596	L583-A587 WeakPolarHBondContact O-CB 3.46Å; L583-A587 PolarHBondContact O-N 3.19Å; R584-A587 PolarHBondContact O-N 3.08Å; V585-A587 VanDerWaalsContact C-N 3.32Å; A587-E589 PolarHBondContact O-N 3.44Å; A587-T590 PolarHBondContact O-N 3.01Å; A587-T590 PolarHBondContact O-OG1 3.43Å; A587-I596 HydrophobicContact CB-CB 4.49Å; A587-I596 HydrophobicContact CB-CD1 3.79Å
588	I	53.8	Low	57.4	Low	130 Å²	130	81.7 Å²	81.7	67%	0.667	41%	0.414	S	S	*	.	H	α-helix	trans	-63	-28.7	175.9	-70.1	165.2	0	0	0	111.6	R584 V585 L586	R584-I588 VanDerWaalsContact O-CG1 3.32Å; R584-I588 WeakPolarHBondContact O-CG1 3.28Å; R584-I588 PolarHBondContact O-N 3.26Å; V585-I588 WeakPolarHBondContact O-CB 3.4Å; V585-I588 PolarHBondContact O-N 3.44Å; L586-I588 VanDerWaalsContact C-N 3.33Å
589	E	47.7	Very low	55.9	Low	143 Å²	143	83.2 Å²	83.2	67%	0.668	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.3	179	-65.1	-174.7	166.3	0	0	113.3	L586 A587	L586-E589 PolarHBondContact O-N 3.21Å; A587-E589 PolarHBondContact O-N 3.44Å
590	T	45.7	Very low	54.3	Low	72 Å²	72	90 Å²	90	44%	0.442	46%	0.46	S	S	.	.	S	Bend	trans	-118.2	145.5	-177.3	58.3	0	0	0	0	111.8	A587 Q592	A587-T590 PolarHBondContact O-N 3.01Å; A587-T590 PolarHBondContact O-OG1 3.43Å; T590-Q592 PolarHBondContact O-N 3.37Å
591	K	46.5	Very low	53	Low	221 Å²	221	93.3 Å²	93.3	96%	0.961	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	11.7	177.3	-70.9	179.8	177.2	175.4	0	114.6	E593	K591-E593 VanDerWaalsContact C-N 3.34Å
592	Q	43.9	Very low	51.6	Low	141 Å²	141	98.8 Å²	98.8	66%	0.659	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	23.6	-179.7	-67.1	-174.8	-12.3	0	0	113	T590 K594 A595	T590-Q592 PolarHBondContact O-N 3.37Å; Q592-K594 VanDerWaalsContact C-N 3.27Å; Q592-K594 PolarHBondContact O-N 3.16Å; Q592-A595 PolarHBondContact O-N 2.92Å
593	E	47.8	Very low	50.3	Low	110 Å²	110	106.8 Å²	106.8	51%	0.514	56%	0.56	S	S	.	*	H	α-helix	trans	-52.6	-34.6	-179.2	-165.2	176.3	-167.4	0	0	114.3	K591 I597	K591-E593 VanDerWaalsContact C-N 3.34Å; E593-I597 HydrophobicContact CG-CD1 3.51Å; E593-I597 WeakPolarHBondContact O-CB 3.42Å; E593-I597 VanDerWaalsContact O-CD1 3.3Å; E593-I597 WeakPolarHBondContact O-CD1 3.41Å; E593-I597 WeakPolarHBondContact O-CG1 3.23Å
594	K	44.8	Very low	49.7	Very low	173 Å²	173	106.1 Å²	106.1	75%	0.752	57%	0.569	S	S	*	*	H	α-helix	trans	-81.9	-15.5	-170.4	-67.8	-174.5	178.5	-178.1	0	116	Q592 N598	Q592-K594 VanDerWaalsContact C-N 3.27Å; Q592-K594 PolarHBondContact O-N 3.16Å; K594-N598 PolarHBondContact O-ND2 3.16Å
595	A	44.6	Very low	49.6	Very low	78 Å²	78	106.6 Å²	106.6	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-91.7	-31.4	-177	0	0	0	0	0	112.9	Q592	Q592-A595 PolarHBondContact O-N 2.92Å
596	I	48.8	Very low	50	Low	57 Å²	57	106 Å²	106	29%	0.292	58%	0.583	S	S	.	*	H	α-helix	trans	-92.9	-30.7	-176.2	-62.3	165.9	0	0	0	111.5	R584 A587 N598 A599	R584-I596 HydrophobicContact CG-CG2 4.29Å; A587-I596 HydrophobicContact CB-CB 4.49Å; A587-I596 HydrophobicContact CB-CD1 3.79Å; I596-N598 VanDerWaalsContact C-N 3.28Å; I596-N598 PolarHBondContact O-N 3.45Å; I596-A599 PolarHBondContact O-N 3.44Å
597	I	49.5	Very low	51	Low	87 Å²	87	104.2 Å²	104.2	45%	0.446	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-32.1	173.6	-65.3	175.7	0	0	0	111.4	E593	E593-I597 HydrophobicContact CG-CD1 3.51Å; E593-I597 WeakPolarHBondContact O-CB 3.42Å; E593-I597 VanDerWaalsContact O-CD1 3.3Å; E593-I597 WeakPolarHBondContact O-CD1 3.41Å; E593-I597 WeakPolarHBondContact O-CG1 3.23Å
598	N	42.8	Very low	52.2	Low	125 Å²	125	104 Å²	104	67%	0.668	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	3	178.6	-67.2	-29.6	0	0	0	113.6	K594 I596 E600	K594-N598 PolarHBondContact O-ND2 3.16Å; I596-N598 VanDerWaalsContact C-N 3.28Å; I596-N598 PolarHBondContact O-N 3.45Å; N598-E600 PolarHBondContact O-N 3.29Å; N598-E600 VanDerWaalsContact O-N 3.16Å
599	A	43.8	Very low	53.7	Low	57 Å²	57	98.7 Å²	98.7	47%	0.471	55%	0.547	S	S	.	.	S	Bend	trans	-67.6	114.6	168	0	0	0	0	0	107.1	I596	I596-A599 PolarHBondContact O-N 3.44Å
600	E	39.9	Very low	55.3	Low	175 Å²	175	95.7 Å²	95.7	82%	0.818	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-48.8	139.6	172.4	-70.6	180	159.2	0	0	109.1	N598 T602	N598-E600 PolarHBondContact O-N 3.29Å; N598-E600 VanDerWaalsContact O-N 3.16Å; E600-T602 PolarHBondContact O-N 3.43Å
601	P	47.3	Very low	57.2	Low	107 Å²	107	92.3 Å²	92.3	70%	0.695	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.7	121.9	174.3	23.3	-30	0	0	0	106.9	D603	P601-D603 PolarHBondContact O-N 3.49Å; P601-D603 VanDerWaalsContact O-N 3.08Å
602	T	46.9	Very low	59.3	Low	125 Å²	125	81.8 Å²	81.8	77%	0.767	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-48.5	124.7	176.3	-39	0	0	0	0	107.5	E600 G604	E600-T602 PolarHBondContact O-N 3.43Å; T602-G604 PolarHBondContact O-N 3.14Å
603	D	45.2	Very low	61.6	Low	178 Å²	178	75.1 Å²	75.1	95%	0.952	44%	0.435	S	S	*	.	S	Bend	trans	-60.8	26.7	-167.4	-129.4	-2.6	0	0	0	115.6	P601	P601-D603 PolarHBondContact O-N 3.49Å; P601-D603 VanDerWaalsContact O-N 3.08Å
604	G	55.3	Low	63.7	Low	52 Å²	52	69.9 Å²	69.9	54%	0.536	41%	0.411	S	S	.	.	S	Bend	trans	-103.4	124	174.8	0	0	0	0	0	110.6	T602 L606	T602-G604 PolarHBondContact O-N 3.14Å; G604-L606 PolarHBondContact O-N 2.94Å
605	A	63.5	Low	66	Low	84 Å²	84	63.3 Å²	63.3	69%	0.694	38%	0.384	S	S	*	.			trans	-56.5	108.4	169.6	0	0	0	0	0	109.3	P538 S607	P538-A605 HydrophobicContact CB-CB 4.29Å; A605-S607 PolarHBondContact O-N 2.95Å
606	L	75.6	Confident	68.2	Low	37 Å²	37	59.8 Å²	59.8	19%	0.194	35%	0.354	C	S	.	.			trans	-59.7	129.4	177.3	-125.9	82.7	0	0	0	108.6	V539 D577 G604 E610 A611	V539-L606 HydrophobicContact CG1-CB 4.42Å; V539-L606 PolarHBondContact N-O 3.09Å; D577-L606 HydrophobicContact CB-CD1 4.38Å; G604-L606 PolarHBondContact O-N 2.94Å; L606-E610 HydrophobicContact CD2-CB 4.35Å; L606-E610 HydrophobicContact CG-CB 4.26Å; L606-A611 HydrophobicContact CD2-CB 3.99Å
607	S	81.6	Confident	70.1	Confident	31 Å²	31	60.4 Å²	60.4	22%	0.217	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-69.1	149	170.9	175	0	0	0	0	109.7	L535 A605 L609 E610 A611	L535-S607 PolarHBondContact O-OG 2.74Å; A605-S607 PolarHBondContact O-N 2.95Å; S607-L609 PolarHBondContact O-N 2.68Å; S607-L609 PolarHBondContact OG-N 2.99Å; S607-E610 PolarHBondContact O-N 2.96Å; S607-A611 PolarHBondContact O-N 3.27Å
608	G	82.3	Confident	71.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-50.4	-37.9	171	0	0	0	0	0	113.8	L535 K537 E610 A611 F612	L535-G608 CarbonylContact O-C 3.6Å; L535-G608 VanDerWaalsContact O-CA 3.26Å; L535-G608 WeakPolarHBondContact O-CA 3.31Å; L535-G608 PolarHBondContact O-N 3.29Å; K537-G608 PolarHBondContact O-N 2.97Å; G608-E610 VanDerWaalsContact C-N 3.29Å; G608-E610 PolarHBondContact O-N 3.33Å; G608-A611 PolarHBondContact O-N 3.01Å; G608-F612 WeakPolarHBondContact O-CB 3.26Å; G608-F612 PolarHBondContact O-N 2.8Å
609	L	83.6	Confident	73.9	Confident	20 Å²	20	58.3 Å²	58.3	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-62.7	-34.8	177.9	-71.1	159.4	0	0	0	113.2	L535 S607 F642 H646	L535-L609 HydrophobicContact CB-CD2 3.67Å; L535-L609 HydrophobicContact CB-CG 3.73Å; L535-L609 HydrophobicContact CD1-CD2 3.97Å; L535-L609 HydrophobicContact CG-CD2 4.47Å; L535-L609 PolarHBondContact O-N 3.44Å; L535-L609 VanDerWaalsContact O-N 3.07Å; S607-L609 PolarHBondContact O-N 2.68Å; S607-L609 PolarHBondContact OG-N 2.99Å; L609-F642 HydrophobicContact CD2-CE1 4.4Å; L609-H646 WeakPolarHBondContact CD1-CE1 3.41Å; L609-H646 WeakPolarHBondContact CD1-NE2 3.48Å
610	E	81.9	Confident	75.4	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-81.2	-36.4	177.5	-67.2	179.3	170.6	0	0	110.7	L606 S607 G608 R639	L606-E610 HydrophobicContact CD2-CB 4.35Å; L606-E610 HydrophobicContact CG-CB 4.26Å; S607-E610 PolarHBondContact O-N 2.96Å; G608-E610 VanDerWaalsContact C-N 3.29Å; G608-E610 PolarHBondContact O-N 3.33Å; E610-R639 PolarHBondContact O-NH2 3.47Å
611	A	85.9	Confident	77.3	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-75.3	-24.9	179.8	0	0	0	0	0	114	V539 M574 L606 S607 G608 S613	V539-A611 HydrophobicContact CB-CB 4.28Å; V539-A611 HydrophobicContact CG2-CB 3.83Å; M574-A611 PolarHBondContact N-O 2.83Å; L606-A611 HydrophobicContact CD2-CB 3.99Å; S607-A611 PolarHBondContact O-N 3.27Å; G608-A611 PolarHBondContact O-N 3.01Å; A611-S613 PolarHBondContact O-N 3.4Å
612	F	91.1	Very high	79.2	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.5	-171.1	-178.6	-104.4	0	0	0	113.4	F527 L535 I571 G608 F614 F638 F642	F527-F612 AromaticContact CE1-CE1 3.63Å; F527-F612 HydrophobicContact CE1-CE1 3.63Å; F527-F612 HydrophobicContact CE1-CE2 4.23Å; F527-F612 AromaticContact CE1-CZ 3.44Å; F527-F612 HydrophobicContact CE1-CZ 3.44Å; F527-F612 VanDerWaalsContact CE1-CZ 3.44Å; F527-F612 HydrophobicContact CE2-CZ 4.3Å; F527-F612 AromaticContact CZ-CE1 3.9Å; F527-F612 HydrophobicContact CZ-CE1 3.9Å; F527-F612 AromaticContact CZ-CE2 3.67Å; F527-F612 HydrophobicContact CZ-CE2 3.67Å; F527-F612 AromaticContact CZ-CZ 3.19Å; F527-F612 HydrophobicContact CZ-CZ 3.19Å; L535-F612 HydrophobicContact CD2-CB 4.22Å; L535-F612 HydrophobicContact CD2-CD2 3.99Å; L535-F612 HydrophobicContact CD2-CG 4.27Å; I571-F612 HydrophobicContact CB-CE2 4.46Å; I571-F612 HydrophobicContact CD1-CE2 4.21Å; I571-F612 HydrophobicContact CG1-CE2 4.14Å; I571-F612 HydrophobicContact CG2-CD2 4.03Å; I571-F612 HydrophobicContact CG2-CE2 3.67Å; G608-F612 WeakPolarHBondContact O-CB 3.26Å; G608-F612 PolarHBondContact O-N 2.8Å; F612-F614 HydrophobicContact CE1-CD1 4.45Å; F612-F614 HydrophobicContact CE1-CE1 4.05Å; F612-F614 HydrophobicContact CE1-CE2 4.26Å; F612-F614 AromaticContact CE1-CZ 3.93Å; F612-F614 HydrophobicContact CE1-CZ 3.93Å; F612-F614 HydrophobicContact CE2-CE1 4.46Å; F612-F614 AromaticContact CZ-CD1 3.95Å; F612-F614 HydrophobicContact CZ-CD1 3.95Å; F612-F614 AromaticContact CZ-CE1 3.45Å; F612-F614 HydrophobicContact CZ-CE1 3.45Å; F612-F614 VanDerWaalsContact CZ-CE1 3.45Å; F612-F614 HydrophobicContact CZ-CE2 4.46Å; F612-F614 AromaticContact CZ-CZ 3.74Å; F612-F614 HydrophobicContact CZ-CZ 3.74Å; F612-F638 HydrophobicContact CD1-CE1 4.01Å; F612-F638 HydrophobicContact CD1-CZ 4.23Å; F612-F638 AromaticContact CE1-CE1 3.87Å; F612-F638 HydrophobicContact CE1-CE1 3.87Å; F612-F638 AromaticContact CE1-CZ 3.81Å; F612-F638 HydrophobicContact CE1-CZ 3.81Å; F612-F642 HydrophobicContact CD1-CD1 4.08Å; F612-F642 AromaticContact CD1-CE1 3.67Å; F612-F642 HydrophobicContact CD1-CE1 3.67Å; F612-F642 HydrophobicContact CD1-CE2 4.34Å; F612-F642 AromaticContact CD1-CZ 3.82Å; F612-F642 HydrophobicContact CD1-CZ 3.82Å; F612-F642 HydrophobicContact CE1-CE1 4.36Å; F612-F642 HydrophobicContact CE1-CE2 4.25Å; F612-F642 HydrophobicContact CE1-CZ 4.07Å; F612-F642 HydrophobicContact CG-CE1 4.43Å
613	S	91.3	Very high	80.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.9	167.1	58.2	0	0	0	0	111.9	D572 M574 A611	D572-S613 PolarHBondContact N-O 2.89Å; D572-S613 PolarHBondContact O-N 3.42Å; D572-S613 PolarHBondContact O-OG 3.32Å; M574-S613 VanDerWaalsContact CG-OG 3.29Å; M574-S613 WeakPolarHBondContact CG-OG 3.37Å; A611-S613 PolarHBondContact O-N 3.4Å
614	F	92.9	Very high	82.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	145.7	164.6	-71.3	-50.9	0	0	0	110.9	F516 F523 F524 F527 L551 L569 K570 F612 Q635 F638	F516-F614 HydrophobicContact CE1-CB 3.99Å; F516-F614 WeakPolarHBondContact CE1-O 3.41Å; F516-F614 HydrophobicContact CE2-CB 4.27Å; F516-F614 HydrophobicContact CZ-CB 3.77Å; F516-F614 WeakPolarHBondContact CZ-O 3.24Å; F523-F614 HydrophobicContact CE1-CE2 4.24Å; F523-F614 AromaticContact CE1-CZ 3.95Å; F523-F614 HydrophobicContact CE1-CZ 3.95Å; F523-F614 AromaticContact CZ-CZ 3.96Å; F523-F614 HydrophobicContact CZ-CZ 3.96Å; F524-F614 AromaticContact CE1-CE2 3.73Å; F524-F614 HydrophobicContact CE1-CE2 3.73Å; F524-F614 HydrophobicContact CE1-CZ 4.34Å; F524-F614 AromaticContact CZ-CE2 3.8Å; F524-F614 HydrophobicContact CZ-CE2 3.8Å; F527-F614 HydrophobicContact CE1-CZ 4.32Å; F527-F614 HydrophobicContact CZ-CZ 4.45Å; L551-F614 HydrophobicContact CD1-CE1 3.84Å; L551-F614 HydrophobicContact CD1-CZ 4.29Å; L551-F614 HydrophobicContact CD2-CE1 4.27Å; L569-F614 HydrophobicContact CD1-CB 3.83Å; L569-F614 HydrophobicContact CD1-CD1 3.87Å; L569-F614 HydrophobicContact CD1-CD2 4.4Å; L569-F614 HydrophobicContact CD1-CG 3.8Å; L569-F614 HydrophobicContact CD2-CD1 4.24Å; L569-F614 HydrophobicContact CD2-CE1 4.13Å; L569-F614 HydrophobicContact CD2-CZ 4.49Å; L569-F614 HydrophobicContact CG-CD1 4.06Å; L569-F614 HydrophobicContact CG-CE1 4.41Å; L569-F614 HydrophobicContact CG-CG 4.48Å; K570-F614 CarbonylContact O-C 3.57Å; K570-F614 WeakPolarHBondContact O-CA 3.43Å; F612-F614 HydrophobicContact CE1-CD1 4.45Å; F612-F614 HydrophobicContact CE1-CE1 4.05Å; F612-F614 HydrophobicContact CE1-CE2 4.26Å; F612-F614 AromaticContact CE1-CZ 3.93Å; F612-F614 HydrophobicContact CE1-CZ 3.93Å; F612-F614 HydrophobicContact CE2-CE1 4.46Å; F612-F614 AromaticContact CZ-CD1 3.95Å; F612-F614 HydrophobicContact CZ-CD1 3.95Å; F612-F614 AromaticContact CZ-CE1 3.45Å; F612-F614 HydrophobicContact CZ-CE1 3.45Å; F612-F614 VanDerWaalsContact CZ-CE1 3.45Å; F612-F614 HydrophobicContact CZ-CE2 4.46Å; F612-F614 AromaticContact CZ-CZ 3.74Å; F612-F614 HydrophobicContact CZ-CZ 3.74Å; F614-Q635 VanDerWaalsContact O-CG 3.23Å; F614-Q635 WeakPolarHBondContact O-CG 3.2Å; F614-Q635 PolarHBondContact O-NE2 3.4Å; F614-F638 HydrophobicContact CD2-CD1 4.11Å; F614-F638 HydrophobicContact CD2-CD2 4.08Å; F614-F638 AromaticContact CD2-CE1 3.6Å; F614-F638 HydrophobicContact CD2-CE1 3.6Å; F614-F638 AromaticContact CD2-CE2 3.58Å; F614-F638 HydrophobicContact CD2-CE2 3.58Å; F614-F638 HydrophobicContact CD2-CG 4.33Å; F614-F638 AromaticContact CD2-CZ 3.32Å; F614-F638 HydrophobicContact CD2-CZ 3.32Å; F614-F638 HydrophobicContact CE2-CD2 4.46Å; F614-F638 HydrophobicContact CE2-CE1 4.03Å; F614-F638 AromaticContact CE2-CE2 3.57Å; F614-F638 HydrophobicContact CE2-CE2 3.57Å; F614-F638 AromaticContact CE2-CZ 3.31Å; F614-F638 HydrophobicContact CE2-CZ 3.31Å; F614-F638 HydrophobicContact CG-CE1 4.19Å; F614-F638 HydrophobicContact CG-CZ 4.29Å; F614-F638 HydrophobicContact CZ-CZ 4.27Å
615	D	91.8	Very high	84.1	Confident	36 Å²	36	31.9 Å²	31.9	19%	0.193	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.1	164.3	-166.9	40.8	0	0	0	109.5	K570 D572 R628 L631	K570-D615 HydrophobicContact CB-CB 4.3Å; K570-D615 PolarHBondContact N-O 2.89Å; K570-D615 PolarHBondContact O-N 3.27Å; D572-D615 HydrophobicContact CB-CB 4Å; D615-R628 IonicContact OD1-CZ 3.26Å; D615-R628 IonicContact OD1-NH1 3.55Å; D615-R628 PolarHBondContact OD1-NH1 3.48Å; D615-L631 WeakPolarHBondContact OD1-CD2 3.22Å
616	Y	91.6	Very high	85.2	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.8	-175.8	-165.7	-105.8	0	0	0	110.6	R508 I512 F516 F565 D568 V618	R508-Y616 VanDerWaalsContact CD-OH 3.26Å; R508-Y616 WeakPolarHBondContact CD-OH 3.49Å; R508-Y616 HydrophobicContact CG-CE1 4.01Å; R508-Y616 PolarHBondContact NE-OH 3.03Å; R508-Y616 VanDerWaalsContact NE-OH 3.1Å; I512-Y616 HydrophobicContact CD1-CD1 3.96Å; I512-Y616 HydrophobicContact CD1-CE1 4.04Å; I512-Y616 HydrophobicContact CG1-CD1 3.84Å; I512-Y616 HydrophobicContact CG1-CE1 3.84Å; I512-Y616 HydrophobicContact CG1-CG 4.25Å; F516-Y616 HydrophobicContact CE2-CG 4.4Å; F565-Y616 WeakPolarHBondContact CB-OH 3.35Å; D568-Y616 HydrophobicContact CB-CD2 4.18Å; D568-Y616 HydrophobicContact CB-CE2 3.69Å; D568-Y616 WeakPolarHBondContact O-CA 3.34Å; Y616-V618 HydrophobicContact CD1-CG2 3.62Å; Y616-V618 HydrophobicContact CE1-CG2 4.11Å; Y616-V618 PolarHBondContact O-N 2.95Å
617	I	89.5	Confident	85.7	Confident	70 Å²	70	28.3 Å²	28.3	36%	0.359	14%	0.139	S	C	.	.			trans	-73.1	113.7	-179.2	-57.8	172.7	0	0	0	108.2	R508 D568 K570	R508-I617 PolarHBondContact NH2-O 3.42Å; D568-I617 HydrophobicContact CB-CB 4.37Å; D568-I617 PolarHBondContact O-N 2.96Å; K570-I617 HydrophobicContact CD-CD1 4.16Å; K570-I617 HydrophobicContact CG-CD1 3.63Å; K570-I617 HydrophobicContact CG-CG1 3.88Å
618	V	86.6	Confident	85.8	Confident	25 Å²	25	31.3 Å²	31.3	15%	0.152	15%	0.146	C	C	.	.			trans	-108.4	113.1	174.1	-173.7	0	0	0	0	109.3	Y616 L622 I626	Y616-V618 HydrophobicContact CD1-CG2 3.62Å; Y616-V618 HydrophobicContact CE1-CG2 4.11Å; Y616-V618 PolarHBondContact O-N 2.95Å; V618-L622 HydrophobicContact CG1-CB 3.63Å; V618-I626 HydrophobicContact CG1-CB 4.29Å; V618-I626 HydrophobicContact CG1-CD1 4.49Å; V618-I626 HydrophobicContact CG2-CB 4.06Å; V618-I626 HydrophobicContact CG2-CD1 4.49Å; V618-I626 HydrophobicContact CG2-CG2 3.76Å
619	K	84.1	Confident	85.9	Confident	143 Å²	143	37 Å²	37	62%	0.622	17%	0.17	S	C	*	.			trans	-72.7	147.2	174.5	-64.4	177.8	-174.5	169.3	0	110.1	L622	K619-L622 PolarHBondContact O-N 3.49Å; K619-L622 VanDerWaalsContact O-N 3.16Å
620	W	75.6	Confident	86.1	Confident	76 Å²	76	36.1 Å²	36.1	29%	0.288	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.5	166.4	-179.4	91.6	0	0	0	109.5	W424 V455 E458 C459	W424-W620 AromaticContact NE1-NE1 3.79Å; V455-W620 HydrophobicContact CG1-CZ2 4.22Å; V455-W620 WeakPolarHBondContact O-CH2 3.36Å; V455-W620 VanDerWaalsContact O-CZ2 3.32Å; V455-W620 WeakPolarHBondContact O-CZ2 3.45Å; E458-W620 HydrophobicContact CB-CH2 3.4Å; E458-W620 VanDerWaalsContact CB-CH2 3.4Å; E458-W620 HydrophobicContact CB-CZ2 3.47Å; E458-W620 VanDerWaalsContact CB-CZ2 3.47Å; E458-W620 HydrophobicContact CB-CZ3 4.44Å; C459-W620 HydrophobicContact CB-CH2 3.96Å; C459-W620 HydrophobicContact CB-CZ3 4.16Å; C459-W620 VanDerWaalsContact N-CH2 3.3Å; C459-W620 WeakPolarHBondContact SG-CH2 3.28Å; C459-W620 WeakPolarHBondContact SG-CZ3 3.46Å
621	P	80.9	Confident	86.5	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.013	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.9	-2	12.9	35.2	-32.3	0	0	0	116	V455 F498 L499 K503 S623 L624	V455-P621 HydrophobicContact CG1-CB 3.95Å; F498-P621 HydrophobicContact CE1-CG 3.97Å; L499-P621 HydrophobicContact CD2-CB 4.2Å; L499-P621 HydrophobicContact CD2-CG 3.75Å; K503-P621 HydrophobicContact CG-CG 4.2Å; P621-S623 PolarHBondContact O-N 2.97Å; P621-S623 VanDerWaalsContact O-N 3.1Å; P621-L624 HydrophobicContact CB-CD1 4.44Å; P621-L624 WeakPolarHBondContact O-CB 3.42Å; P621-L624 WeakPolarHBondContact O-CG 3.3Å; P621-L624 PolarHBondContact O-N 3.45Å; P621-L624 VanDerWaalsContact O-N 3.13Å
622	L	85.3	Confident	86.6	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.063	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-63	-20.3	-176.5	-67.8	173.8	0	0	0	113.3	L499 K503 L505 R508 V618 K619 L624 I625 I626	L499-L622 HydrophobicContact CD2-CD2 4.15Å; K503-L622 HydrophobicContact CB-CD1 4.28Å; K503-L622 HydrophobicContact CB-CD2 3.79Å; K503-L622 HydrophobicContact CB-CG 4.05Å; L505-L622 HydrophobicContact CB-CD2 4Å; L505-L622 HydrophobicContact CD1-CD2 3.77Å; L505-L622 HydrophobicContact CG-CD2 4.48Å; R508-L622 HydrophobicContact CB-CD1 4.42Å; R508-L622 HydrophobicContact CG-CD1 4.16Å; V618-L622 HydrophobicContact CG1-CB 3.63Å; K619-L622 PolarHBondContact O-N 3.49Å; K619-L622 VanDerWaalsContact O-N 3.16Å; L622-L624 PolarHBondContact O-N 2.85Å; L622-L624 VanDerWaalsContact O-N 3.15Å; L622-I625 PolarHBondContact O-N 3.26Å; L622-I626 PolarHBondContact O-N 2.88Å
623	S	83.6	Confident	86.5	Confident	8 Å²	8	35.7 Å²	35.7	6%	0.056	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.5	175.3	60	0	0	0	0	113.4	N420 P621 I625 I626 N627	N420-S623 WeakPolarHBondContact CB-OG 3.43Å; N420-S623 WeakPolarHBondContact ND2-CB 3.41Å; N420-S623 PolarHBondContact ND2-OG 2.99Å; P621-S623 PolarHBondContact O-N 2.97Å; P621-S623 VanDerWaalsContact O-N 3.1Å; S623-I625 PolarHBondContact O-N 3.24Å; S623-I626 CarbonylContact O-C 3.59Å; S623-N627 WeakPolarHBondContact O-CA 3.42Å; S623-N627 PolarHBondContact O-N 3.5Å
624	L	81.4	Confident	86.6	Confident	41 Å²	41	35.7 Å²	35.7	22%	0.215	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-62	-33	175	-68.4	167.1	0	0	0	112.2	W424 V455 P621 L622	W424-L624 HydrophobicContact CB-CD2 4.5Å; W424-L624 HydrophobicContact CG-CD2 4.06Å; V455-L624 HydrophobicContact CB-CD1 4.2Å; V455-L624 HydrophobicContact CG1-CD1 3.52Å; V455-L624 HydrophobicContact CG2-CD1 3.59Å; P621-L624 HydrophobicContact CB-CD1 4.44Å; P621-L624 WeakPolarHBondContact O-CB 3.42Å; P621-L624 WeakPolarHBondContact O-CG 3.3Å; P621-L624 PolarHBondContact O-N 3.45Å; P621-L624 VanDerWaalsContact O-N 3.13Å; L622-L624 PolarHBondContact O-N 2.85Å; L622-L624 VanDerWaalsContact O-N 3.15Å
625	I	85.4	Confident	86.6	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-50	178.5	-59.8	160	0	0	0	110	L499 L505 L622 S623 N627 I715 V718 L719	L499-I625 HydrophobicContact CD1-CD1 3.9Å; L505-I625 HydrophobicContact CD1-CB 4.45Å; L505-I625 HydrophobicContact CD1-CD1 3.83Å; L505-I625 HydrophobicContact CD1-CG2 4.41Å; L505-I625 HydrophobicContact CD2-CD1 3.45Å; L505-I625 VanDerWaalsContact CD2-CD1 3.45Å; L505-I625 HydrophobicContact CG-CD1 4.26Å; L622-I625 PolarHBondContact O-N 3.26Å; S623-I625 PolarHBondContact O-N 3.24Å; I625-N627 PolarHBondContact O-N 3.38Å; I625-N627 VanDerWaalsContact O-N 3.12Å; I625-I715 HydrophobicContact CD1-CD1 3.69Å; I625-I715 HydrophobicContact CG1-CD1 3.92Å; I625-V718 HydrophobicContact CD1-CG1 4.19Å; I625-V718 HydrophobicContact CG2-CG1 4.24Å; I625-L719 HydrophobicContact CB-CD2 4.27Å; I625-L719 HydrophobicContact CG1-CD2 4.2Å; I625-L719 HydrophobicContact CG2-CD2 4.26Å
626	I	88.6	Confident	86.4	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-91.5	71.7	178.3	-51.1	159.9	0	0	0	107.4	L505 R508 L509 I512 V618 L622 S623	L505-I626 HydrophobicContact CD1-CD1 4.31Å; R508-I626 HydrophobicContact CG-CD1 4.18Å; L509-I626 HydrophobicContact CD2-CD1 4.09Å; L509-I626 HydrophobicContact CD2-CG1 4.07Å; I512-I626 HydrophobicContact CD1-CD1 3.73Å; I512-I626 HydrophobicContact CD1-CG1 4.25Å; I512-I626 HydrophobicContact CD1-CG2 3.85Å; V618-I626 HydrophobicContact CG1-CB 4.29Å; V618-I626 HydrophobicContact CG1-CD1 4.49Å; V618-I626 HydrophobicContact CG2-CB 4.06Å; V618-I626 HydrophobicContact CG2-CD1 4.49Å; V618-I626 HydrophobicContact CG2-CG2 3.76Å; L622-I626 PolarHBondContact O-N 2.88Å; S623-I626 CarbonylContact O-C 3.59Å
627	N	84.9	Confident	86.5	Confident	40 Å²	40	34.1 Å²	34.1	21%	0.214	16%	0.157	C	C	.	.			trans	-75.8	165.5	179.7	59.5	18.6	0	0	0	111.8	D421 S623 I625 K629 A630 L631	D421-N627 VanDerWaalsContact OD1-CB 3.29Å; D421-N627 WeakPolarHBondContact OD1-CB 3.22Å; D421-N627 WeakPolarHBondContact OD2-CA 3.36Å; D421-N627 WeakPolarHBondContact OD2-CB 3.34Å; S623-N627 WeakPolarHBondContact O-CA 3.42Å; S623-N627 PolarHBondContact O-N 3.5Å; I625-N627 PolarHBondContact O-N 3.38Å; I625-N627 VanDerWaalsContact O-N 3.12Å; N627-K629 PolarHBondContact O-N 3.02Å; N627-A630 PolarHBondContact O-N 2.86Å; N627-A630 VanDerWaalsContact O-N 3.12Å; N627-A630 WeakPolarHBondContact OD1-CA 3.47Å; N627-A630 WeakPolarHBondContact OD1-CB 3.3Å; N627-A630 PolarHBondContact OD1-N 3.16Å; N627-L631 PolarHBondContact O-N 3.37Å
628	R	83.4	Confident	86.7	Confident	94 Å²	94	30.8 Å²	30.8	36%	0.355	14%	0.14	S	C	.	.	H	α-helix	trans	-61.5	-30.9	179	-173.9	60.8	175.4	173.8	0.3	111.7	D421 D572 D615 L631 T632	D421-R628 PolarHBondContact OD2-N 3.49Å; D572-R628 IonicContact OD2-NH2 3.55Å; D615-R628 IonicContact OD1-CZ 3.26Å; D615-R628 IonicContact OD1-NH1 3.55Å; D615-R628 PolarHBondContact OD1-NH1 3.48Å; R628-L631 PolarHBondContact O-N 3.27Å; R628-T632 WeakPolarHBondContact O-CB 3.39Å; R628-T632 PolarHBondContact O-N 3.38Å; R628-T632 PolarHBondContact O-OG1 3.3Å
629	K	84.1	Confident	86.9	Confident	118 Å²	118	29.9 Å²	29.9	51%	0.513	13%	0.134	S	C	.	.	H	α-helix	trans	-60.3	-48.7	174.4	-173.1	-179.6	-176.7	-177.6	0	111.3	N627 R633	N627-K629 PolarHBondContact O-N 3.02Å; K629-R633 VanDerWaalsContact CE-NH2 3.32Å; K629-R633 WeakPolarHBondContact O-CG 3.45Å; K629-R633 PolarHBondContact O-N 3.07Å
630	A	88.9	Confident	87.3	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-43.9	177.2	0	0	0	0	0	111.3	N627 T632 R633 Y634 L726	N627-A630 PolarHBondContact O-N 2.86Å; N627-A630 VanDerWaalsContact O-N 3.12Å; N627-A630 WeakPolarHBondContact OD1-CA 3.47Å; N627-A630 WeakPolarHBondContact OD1-CB 3.3Å; N627-A630 PolarHBondContact OD1-N 3.16Å; A630-T632 VanDerWaalsContact C-N 3.32Å; A630-T632 PolarHBondContact O-N 3.44Å; A630-R633 WeakPolarHBondContact O-CB 3.28Å; A630-R633 PolarHBondContact O-N 2.86Å; A630-R633 VanDerWaalsContact O-N 3.09Å; A630-Y634 VanDerWaalsContact O-CD2 3.23Å; A630-Y634 WeakPolarHBondContact O-CD2 3.26Å; A630-Y634 PolarHBondContact O-N 3.44Å; A630-L726 HydrophobicContact CB-CD1 3.67Å
631	L	90.1	Very high	88	Confident	10 Å²	10	20.1 Å²	20.1	5%	0.052	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-39.8	179	-170.6	56.9	0	0	0	112.2	F516 D615 N627 R628 R633 Y634 Q635	F516-L631 HydrophobicContact CE1-CD1 3.98Å; F516-L631 HydrophobicContact CE2-CD1 4.29Å; F516-L631 HydrophobicContact CZ-CD1 3.67Å; D615-L631 WeakPolarHBondContact OD1-CD2 3.22Å; N627-L631 PolarHBondContact O-N 3.37Å; R628-L631 PolarHBondContact O-N 3.27Å; L631-R633 VanDerWaalsContact C-N 3.28Å; L631-R633 PolarHBondContact O-N 2.92Å; L631-Y634 PolarHBondContact O-N 3.34Å; L631-Q635 WeakPolarHBondContact O-CG 3.2Å; L631-Q635 PolarHBondContact O-N 3.12Å
632	T	87.7	Confident	88.6	Confident	31 Å²	31	20.1 Å²	20.1	19%	0.19	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-38.5	174.1	-55.7	0	0	0	0	111.5	V585 R628 A630 Q635 M636	V585-T632 HydrophobicContact CG2-CG2 4.38Å; R628-T632 WeakPolarHBondContact O-CB 3.39Å; R628-T632 PolarHBondContact O-N 3.38Å; R628-T632 PolarHBondContact O-OG1 3.3Å; A630-T632 VanDerWaalsContact C-N 3.32Å; A630-T632 PolarHBondContact O-N 3.44Å; T632-Q635 WeakPolarHBondContact O-CB 3.34Å; T632-Q635 PolarHBondContact O-N 3.39Å; T632-M636 HydrophobicContact CG2-CE 4.32Å; T632-M636 WeakPolarHBondContact O-CG 3.44Å; T632-M636 PolarHBondContact O-N 3.42Å
633	R	89.9	Confident	88.8	Confident	31 Å²	31	21.5 Å²	21.5	12%	0.117	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-42.5	176	-68.2	173.6	177.5	-170.6	-14.6	111.9	K629 A630 L631 Q635 M636 L637 L726 D727 L730	K629-R633 VanDerWaalsContact CE-NH2 3.32Å; K629-R633 WeakPolarHBondContact O-CG 3.45Å; K629-R633 PolarHBondContact O-N 3.07Å; A630-R633 WeakPolarHBondContact O-CB 3.28Å; A630-R633 PolarHBondContact O-N 2.86Å; A630-R633 VanDerWaalsContact O-N 3.09Å; L631-R633 VanDerWaalsContact C-N 3.28Å; L631-R633 PolarHBondContact O-N 2.92Å; R633-Q635 VanDerWaalsContact C-N 3.33Å; R633-Q635 PolarHBondContact O-N 3.3Å; R633-M636 PolarHBondContact O-N 3.39Å; R633-L637 PolarHBondContact O-N 2.88Å; R633-L637 VanDerWaalsContact O-N 3.14Å; R633-L726 HydrophobicContact CB-CD1 4.38Å; R633-L726 HydrophobicContact CB-CD2 4.3Å; R633-D727 IonicContact CZ-OD1 3.25Å; R633-D727 IonicContact NE-OD1 3.57Å; R633-D727 IonicContact NH1-OD1 3.8Å; R633-D727 PolarHBondContact NH1-OD1 2.94Å; R633-D727 IonicContact NH1-OD2 2.64Å; R633-D727 IonicContact NH2-OD1 3.99Å; R633-D727 PolarHBondContact NH2-OD1 3.45Å; R633-L730 HydrophobicContact CB-CD1 3.84Å; R633-L730 HydrophobicContact CG-CD1 3.72Å
634	Y	93.2	Very high	89.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-42.4	171.9	-79	-68.3	0	0	0	111.9	I512 F516 L517 A630 L631 M636 L637 F638 H722 F725 L726	I512-Y634 HydrophobicContact CG2-CD1 3.92Å; I512-Y634 HydrophobicContact CG2-CD2 4.13Å; I512-Y634 HydrophobicContact CG2-CE1 3.86Å; I512-Y634 HydrophobicContact CG2-CE2 4.08Å; I512-Y634 HydrophobicContact CG2-CG 4.06Å; F516-Y634 HydrophobicContact CB-CD1 4.25Å; L517-Y634 HydrophobicContact CD2-CD1 4.42Å; A630-Y634 VanDerWaalsContact O-CD2 3.23Å; A630-Y634 WeakPolarHBondContact O-CD2 3.26Å; A630-Y634 PolarHBondContact O-N 3.44Å; L631-Y634 PolarHBondContact O-N 3.34Å; Y634-M636 PolarHBondContact O-N 3.43Å; Y634-L637 PolarHBondContact O-N 3.18Å; Y634-F638 WeakPolarHBondContact O-CB 3.45Å; Y634-F638 PolarHBondContact O-N 3.14Å; Y634-H722 AromaticContact CE2-CE1 3.99Å; Y634-H722 AromaticContact CE2-NE2 3.42Å; Y634-H722 WeakPolarHBondContact CE2-NE2 3.49Å; Y634-H722 AromaticContact CZ-NE2 3.59Å; Y634-H722 PolarHBondContact OH-CD2 3.24Å; Y634-H722 PolarHBondContact OH-NE2 3.22Å; Y634-F725 AromaticContact CE1-CE1 3.87Å; Y634-F725 HydrophobicContact CE1-CE1 3.87Å; Y634-F725 WeakPolarHBondContact OH-CE1 3.47Å; Y634-L726 HydrophobicContact CD1-CD2 3.77Å; Y634-L726 HydrophobicContact CD2-CD1 4.25Å; Y634-L726 HydrophobicContact CD2-CD2 3.94Å; Y634-L726 HydrophobicContact CE1-CD2 3.58Å; Y634-L726 HydrophobicContact CE2-CD1 3.82Å; Y634-L726 HydrophobicContact CE2-CD2 3.75Å; Y634-L726 HydrophobicContact CE2-CG 4.16Å; Y634-L726 HydrophobicContact CG-CD2 3.94Å
635	Q	91.6	Very high	89.7	Confident	1 Å²	1	22 Å²	22	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-44.8	176.2	-77.1	178	-23.1	0	0	112.1	F516 F614 L631 T632 R633 L637 F638 R639	F516-Q635 HydrophobicContact CE1-CG 3.77Å; F614-Q635 VanDerWaalsContact O-CG 3.23Å; F614-Q635 WeakPolarHBondContact O-CG 3.2Å; F614-Q635 PolarHBondContact O-NE2 3.4Å; L631-Q635 WeakPolarHBondContact O-CG 3.2Å; L631-Q635 PolarHBondContact O-N 3.12Å; T632-Q635 WeakPolarHBondContact O-CB 3.34Å; T632-Q635 PolarHBondContact O-N 3.39Å; R633-Q635 VanDerWaalsContact C-N 3.33Å; R633-Q635 PolarHBondContact O-N 3.3Å; Q635-L637 VanDerWaalsContact C-N 3.33Å; Q635-L637 PolarHBondContact O-N 3.46Å; Q635-F638 PolarHBondContact O-N 3.1Å; Q635-R639 WeakPolarHBondContact O-CB 3.42Å; Q635-R639 WeakPolarHBondContact O-CG 3.46Å; Q635-R639 PolarHBondContact O-N 3.35Å
636	M	89.2	Confident	90	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-59.2	-46.2	176.8	-72.7	174.9	167.9	0	0	111.9	Q581 V585 T632 R633 Y634 R639 H640 L730	Q581-M636 HydrophobicContact CB-CE 4.28Å; Q581-M636 HydrophobicContact CG-CE 3.6Å; Q581-M636 HydrophobicContact CG-CG 4.5Å; V585-M636 HydrophobicContact CB-CE 3.75Å; V585-M636 HydrophobicContact CG1-CE 4.29Å; V585-M636 HydrophobicContact CG2-CE 3.36Å; T632-M636 HydrophobicContact CG2-CE 4.32Å; T632-M636 WeakPolarHBondContact O-CG 3.44Å; T632-M636 PolarHBondContact O-N 3.42Å; R633-M636 PolarHBondContact O-N 3.39Å; Y634-M636 PolarHBondContact O-N 3.43Å; M636-R639 PolarHBondContact O-N 3.2Å; M636-H640 WeakPolarHBondContact O-CB 2.88Å; M636-H640 PolarHBondContact O-N 3.46Å; M636-H640 VanDerWaalsContact O-N 3.1Å; M636-L730 HydrophobicContact CB-CD2 4.35Å
637	L	92.4	Very high	90.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-47.3	178.9	-170	60.7	0	0	0	111.1	L517 R633 Y634 Q635 H640 M641 M698 C729 C733 L735	L517-L637 HydrophobicContact CD2-CD2 3.32Å; L517-L637 HydrophobicContact CD2-CG 4.13Å; R633-L637 PolarHBondContact O-N 2.88Å; R633-L637 VanDerWaalsContact O-N 3.14Å; Y634-L637 PolarHBondContact O-N 3.18Å; Q635-L637 VanDerWaalsContact C-N 3.33Å; Q635-L637 PolarHBondContact O-N 3.46Å; L637-H640 PolarHBondContact O-N 2.99Å; L637-M641 HydrophobicContact CG-SD 4.41Å; L637-M641 WeakPolarHBondContact O-CG 3.36Å; L637-M641 PolarHBondContact O-N 3.5Å; L637-M641 VanDerWaalsContact O-N 3.08Å; L637-M698 HydrophobicContact CD1-CE 3.46Å; L637-M698 VanDerWaalsContact CD1-CE 3.46Å; L637-M698 HydrophobicContact CD2-CE 3.93Å; L637-M698 HydrophobicContact CG-CE 3.7Å; L637-C729 HydrophobicContact CD2-CB 3.98Å; L637-C733 HydrophobicContact CD1-CB 4.04Å; L637-L735 HydrophobicContact CD1-CD1 4.05Å
638	F	93.9	Very high	90.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.4	-52.9	175.7	170	-106.9	0	0	0	111.8	F516 M518 F524 F612 F614 Y634 Q635 H640 M641 F642	F516-F638 HydrophobicContact CB-CB 4.43Å; F516-F638 HydrophobicContact CD1-CB 4.03Å; F516-F638 WeakPolarHBondContact O-CA 3.5Å; F516-F638 WeakPolarHBondContact O-CB 3.35Å; M518-F638 HydrophobicContact CG-CD2 4.29Å; M518-F638 HydrophobicContact CG-CE2 4.32Å; F524-F638 AromaticContact CE1-CE2 3.59Å; F524-F638 HydrophobicContact CE1-CE2 3.59Å; F524-F638 HydrophobicContact CE1-CZ 4.12Å; F524-F638 AromaticContact CZ-CE2 3.77Å; F524-F638 HydrophobicContact CZ-CE2 3.77Å; F612-F638 HydrophobicContact CD1-CE1 4.01Å; F612-F638 HydrophobicContact CD1-CZ 4.23Å; F612-F638 AromaticContact CE1-CE1 3.87Å; F612-F638 HydrophobicContact CE1-CE1 3.87Å; F612-F638 AromaticContact CE1-CZ 3.81Å; F612-F638 HydrophobicContact CE1-CZ 3.81Å; F614-F638 HydrophobicContact CD2-CD1 4.11Å; F614-F638 HydrophobicContact CD2-CD2 4.08Å; F614-F638 AromaticContact CD2-CE1 3.6Å; F614-F638 HydrophobicContact CD2-CE1 3.6Å; F614-F638 AromaticContact CD2-CE2 3.58Å; F614-F638 HydrophobicContact CD2-CE2 3.58Å; F614-F638 HydrophobicContact CD2-CG 4.33Å; F614-F638 AromaticContact CD2-CZ 3.32Å; F614-F638 HydrophobicContact CD2-CZ 3.32Å; F614-F638 HydrophobicContact CE2-CD2 4.46Å; F614-F638 HydrophobicContact CE2-CE1 4.03Å; F614-F638 AromaticContact CE2-CE2 3.57Å; F614-F638 HydrophobicContact CE2-CE2 3.57Å; F614-F638 AromaticContact CE2-CZ 3.31Å; F614-F638 HydrophobicContact CE2-CZ 3.31Å; F614-F638 HydrophobicContact CG-CE1 4.19Å; F614-F638 HydrophobicContact CG-CZ 4.29Å; F614-F638 HydrophobicContact CZ-CZ 4.27Å; Y634-F638 WeakPolarHBondContact O-CB 3.45Å; Y634-F638 PolarHBondContact O-N 3.14Å; Q635-F638 PolarHBondContact O-N 3.1Å; F638-H640 VanDerWaalsContact C-N 3.29Å; F638-H640 PolarHBondContact O-N 3Å; F638-M641 PolarHBondContact O-N 3.34Å; F638-F642 HydrophobicContact CE1-CB 4.26Å; F638-F642 HydrophobicContact CE1-CG 4.35Å; F638-F642 HydrophobicContact CE2-CB 4.05Å; F638-F642 HydrophobicContact CE2-CD2 4.04Å; F638-F642 HydrophobicContact CE2-CG 4.33Å; F638-F642 HydrophobicContact CZ-CB 3.88Å; F638-F642 AromaticContact CZ-CD2 3.65Å; F638-F642 HydrophobicContact CZ-CD2 3.65Å; F638-F642 HydrophobicContact CZ-CE2 4.36Å; F638-F642 AromaticContact CZ-CG 3.82Å; F638-F642 HydrophobicContact CZ-CG 3.82Å; F638-F642 WeakPolarHBondContact O-CB 3.38Å; F638-F642 PolarHBondContact O-N 2.56Å
639	R	91.5	Very high	90.9	Very high	6 Å²	6	18.7 Å²	18.7	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-41.1	-177.5	-70.5	177	74.6	-166.6	5.9	111.8	H576 V578 E610 Q635 M636 F642 Y643	H576-R639 PolarHBondContact O-NH1 2.72Å; H576-R639 PolarHBondContact O-NH2 2.87Å; V578-R639 HydrophobicContact CG2-CB 3.46Å; V578-R639 VanDerWaalsContact CG2-CB 3.46Å; V578-R639 HydrophobicContact CG2-CG 4.38Å; E610-R639 PolarHBondContact O-NH2 3.47Å; Q635-R639 WeakPolarHBondContact O-CB 3.42Å; Q635-R639 WeakPolarHBondContact O-CG 3.46Å; Q635-R639 PolarHBondContact O-N 3.35Å; M636-R639 PolarHBondContact O-N 3.2Å; R639-F642 PolarHBondContact O-N 2.92Å; R639-Y643 WeakPolarHBondContact O-CB 3.39Å; R639-Y643 PolarHBondContact O-N 3.22Å
640	H	90.7	Very high	91.2	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.046	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-47.8	176.6	-176.5	-118	0	0	0	112.1	M636 L637 F638 C644 M693 L735 F744	M636-H640 WeakPolarHBondContact O-CB 2.88Å; M636-H640 PolarHBondContact O-N 3.46Å; M636-H640 VanDerWaalsContact O-N 3.1Å; L637-H640 PolarHBondContact O-N 2.99Å; F638-H640 VanDerWaalsContact C-N 3.29Å; F638-H640 PolarHBondContact O-N 3Å; H640-C644 PolarHBondContact O-N 2.67Å; H640-C644 PolarHBondContact O-SG 2.92Å; H640-M693 PolarHBondContact CE1-SD 2.91Å; H640-M693 PolarHBondContact ND1-SD 2.67Å; H640-L735 HydrophobicContact CB-CD1 4.27Å; H640-L735 HydrophobicContact CB-CD2 4Å; H640-F744 AromaticContact NE2-CD1 3.57Å; H640-F744 AromaticContact NE2-CE1 3.38Å; H640-F744 WeakPolarHBondContact NE2-CE1 3.33Å
641	M	91.6	Very high	91.3	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.015	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-41.7	177.8	-65.1	173.5	73.6	0	0	112.7	L517 M518 L637 F638 Y643 C644 K645 M694 M698	L517-M641 WeakPolarHBondContact O-CE 3.44Å; M518-M641 HydrophobicContact CB-CE 4.15Å; M518-M641 HydrophobicContact CG-CE 4.17Å; M518-M641 HydrophobicContact SD-CB 3.57Å; M518-M641 VanDerWaalsContact SD-CB 3.57Å; M518-M641 HydrophobicContact SD-CE 4.1Å; L637-M641 HydrophobicContact CG-SD 4.41Å; L637-M641 WeakPolarHBondContact O-CG 3.36Å; L637-M641 PolarHBondContact O-N 3.5Å; L637-M641 VanDerWaalsContact O-N 3.08Å; F638-M641 PolarHBondContact O-N 3.34Å; M641-Y643 VanDerWaalsContact C-N 3.3Å; M641-Y643 PolarHBondContact O-N 2.88Å; M641-C644 WeakPolarHBondContact O-CB 3.41Å; M641-C644 PolarHBondContact O-N 2.69Å; M641-C644 VanDerWaalsContact O-N 3.15Å; M641-K645 PolarHBondContact O-N 3.42Å; M641-M694 HydrophobicContact CE-CE 3.48Å; M641-M694 VanDerWaalsContact CE-CE 3.48Å; M641-M694 HydrophobicContact CE-CG 3.8Å; M641-M698 HydrophobicContact CE-CE 3.86Å; M641-M698 HydrophobicContact CE-SD 3.58Å; M641-M698 VanDerWaalsContact CE-SD 3.58Å; M641-M698 HydrophobicContact CG-CE 3.74Å; M641-M698 HydrophobicContact SD-CE 3.13Å; M641-M698 WeakPolarHBondContact SD-CE 3.46Å; M641-M698 HydrophobicContact SD-SD 3.46Å
642	F	92.4	Very high	91.3	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-60.4	-43.1	-179.6	-175.5	-103.4	0	0	0	110.7	F524 F527 M528 L535 L609 F612 F638 R639 K645 H646	F524-F642 HydrophobicContact CD1-CD2 4.4Å; F524-F642 HydrophobicContact CD1-CE2 4.44Å; F524-F642 HydrophobicContact CE1-CD2 4.32Å; F527-F642 HydrophobicContact CD1-CE2 4.42Å; F527-F642 HydrophobicContact CE1-CE2 4.27Å; F527-F642 HydrophobicContact CE1-CZ 4.28Å; M528-F642 HydrophobicContact CE-CD2 4.44Å; M528-F642 HydrophobicContact CE-CE2 3.89Å; M528-F642 HydrophobicContact CE-CZ 3.97Å; M528-F642 HydrophobicContact CG-CE2 3.66Å; M528-F642 HydrophobicContact CG-CZ 4.08Å; M528-F642 HydrophobicContact SD-CD2 4.45Å; M528-F642 HydrophobicContact SD-CE2 3.92Å; L535-F642 HydrophobicContact CD1-CZ 4.29Å; L609-F642 HydrophobicContact CD2-CE1 4.4Å; F612-F642 HydrophobicContact CD1-CD1 4.08Å; F612-F642 AromaticContact CD1-CE1 3.67Å; F612-F642 HydrophobicContact CD1-CE1 3.67Å; F612-F642 HydrophobicContact CD1-CE2 4.34Å; F612-F642 AromaticContact CD1-CZ 3.82Å; F612-F642 HydrophobicContact CD1-CZ 3.82Å; F612-F642 HydrophobicContact CE1-CE1 4.36Å; F612-F642 HydrophobicContact CE1-CE2 4.25Å; F612-F642 HydrophobicContact CE1-CZ 4.07Å; F612-F642 HydrophobicContact CG-CE1 4.43Å; F638-F642 HydrophobicContact CE1-CB 4.26Å; F638-F642 HydrophobicContact CE1-CG 4.35Å; F638-F642 HydrophobicContact CE2-CB 4.05Å; F638-F642 HydrophobicContact CE2-CD2 4.04Å; F638-F642 HydrophobicContact CE2-CG 4.33Å; F638-F642 HydrophobicContact CZ-CB 3.88Å; F638-F642 AromaticContact CZ-CD2 3.65Å; F638-F642 HydrophobicContact CZ-CD2 3.65Å; F638-F642 HydrophobicContact CZ-CE2 4.36Å; F638-F642 AromaticContact CZ-CG 3.82Å; F638-F642 HydrophobicContact CZ-CG 3.82Å; F638-F642 WeakPolarHBondContact O-CB 3.38Å; F638-F642 PolarHBondContact O-N 2.56Å; R639-F642 PolarHBondContact O-N 2.92Å; F642-K645 PolarHBondContact O-N 3.38Å; F642-H646 WeakPolarHBondContact O-CB 3.47Å; F642-H646 PolarHBondContact O-N 3.33Å
643	Y	90.9	Very high	91.3	Very high	42 Å²	42	16.2 Å²	16.2	17%	0.165	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-41.4	175.1	-169.9	-120.7	0	0	0	112.3	R639 M641 K645 H646 V647 M748	R639-Y643 WeakPolarHBondContact O-CB 3.39Å; R639-Y643 PolarHBondContact O-N 3.22Å; M641-Y643 VanDerWaalsContact C-N 3.3Å; M641-Y643 PolarHBondContact O-N 2.88Å; Y643-K645 VanDerWaalsContact C-N 3.29Å; Y643-K645 PolarHBondContact O-N 2.83Å; Y643-H646 WeakPolarHBondContact O-CB 3.47Å; Y643-H646 PolarHBondContact O-N 3.37Å; Y643-V647 HydrophobicContact CE1-CG2 4.41Å; Y643-V647 HydrophobicContact CE2-CG2 4.25Å; Y643-V647 WeakPolarHBondContact O-CG2 3.5Å; Y643-V647 PolarHBondContact O-N 3.26Å; Y643-M748 HydrophobicContact CD1-CB 4.21Å; Y643-M748 HydrophobicContact CD1-CE 4.13Å; Y643-M748 HydrophobicContact CD1-CG 4.36Å; Y643-M748 HydrophobicContact CE1-CB 3.44Å; Y643-M748 VanDerWaalsContact CE1-CB 3.44Å; Y643-M748 HydrophobicContact CE1-CE 4.33Å; Y643-M748 HydrophobicContact CE1-CG 4.07Å
644	C	92.1	Very high	91.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-57.9	-43.2	172.5	-64.1	0	0	0	0	112	H640 M641 H646 V647 E648 Q690 M693 M748	H640-C644 PolarHBondContact O-N 2.67Å; H640-C644 PolarHBondContact O-SG 2.92Å; M641-C644 WeakPolarHBondContact O-CB 3.41Å; M641-C644 PolarHBondContact O-N 2.69Å; M641-C644 VanDerWaalsContact O-N 3.15Å; C644-H646 VanDerWaalsContact C-N 3.34Å; C644-V647 PolarHBondContact O-N 3.04Å; C644-E648 PolarHBondContact O-N 2.71Å; C644-Q690 VanDerWaalsContact C-NE2 3.27Å; C644-Q690 HydrophobicContact CB-CG 3.83Å; C644-Q690 PolarHBondContact O-NE2 3.46Å; C644-M693 HydrophobicContact CB-CE 4.39Å; C644-M748 HydrophobicContact CB-CE 4.33Å
645	K	92.1	Very high	90.9	Very high	58 Å²	58	22.2 Å²	22.2	25%	0.252	10%	0.099	S	C	.	.	H	α-helix	trans	-66.9	-37.1	178.6	-168	63.6	-179.7	173.4	0	112.6	M518 M528 M641 F642 Y643 E648 R649 Q690	M518-K645 HydrophobicContact CE-CB 3.9Å; M518-K645 HydrophobicContact CE-CG 3.96Å; M528-K645 HydrophobicContact SD-CB 4.48Å; M528-K645 HydrophobicContact SD-CG 3.95Å; M641-K645 PolarHBondContact O-N 3.42Å; F642-K645 PolarHBondContact O-N 3.38Å; Y643-K645 VanDerWaalsContact C-N 3.29Å; Y643-K645 PolarHBondContact O-N 2.83Å; K645-E648 VanDerWaalsContact CD-OE2 3.31Å; K645-E648 WeakPolarHBondContact CD-OE2 3.39Å; K645-E648 WeakPolarHBondContact CE-OE2 3.39Å; K645-E648 IonicContact NZ-OE2 3.3Å; K645-E648 PolarHBondContact NZ-OE2 2.68Å; K645-R649 WeakPolarHBondContact O-CG 3.29Å; K645-R649 PolarHBondContact O-N 3.37Å; K645-R649 VanDerWaalsContact O-N 3.08Å; K645-Q690 VanDerWaalsContact N-NE2 3.14Å
646	H	90.5	Very high	90.5	Very high	15 Å²	15	27 Å²	27	7%	0.069	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-50.9	175.2	175.6	63.9	0	0	0	111.7	M528 L609 F642 Y643 C644 E648 R649 L650	M528-H646 HydrophobicContact CE-CB 3.78Å; L609-H646 WeakPolarHBondContact CD1-CE1 3.41Å; L609-H646 WeakPolarHBondContact CD1-NE2 3.48Å; F642-H646 WeakPolarHBondContact O-CB 3.47Å; F642-H646 PolarHBondContact O-N 3.33Å; Y643-H646 WeakPolarHBondContact O-CB 3.47Å; Y643-H646 PolarHBondContact O-N 3.37Å; C644-H646 VanDerWaalsContact C-N 3.34Å; H646-E648 VanDerWaalsContact C-N 3.34Å; H646-E648 PolarHBondContact O-N 3.39Å; H646-R649 PolarHBondContact O-N 3.13Å; H646-R649 VanDerWaalsContact O-N 3.14Å; H646-L650 VanDerWaalsContact NE2-CD1 3.31Å; H646-L650 WeakPolarHBondContact NE2-CD1 3.47Å; H646-L650 PolarHBondContact O-N 3.27Å
647	V	91.3	Very high	89.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67	-35.6	-179.1	-176.7	0	0	0	0	112	Y643 C644 R649 L650 L651 I686 M748 C751 V752	Y643-V647 HydrophobicContact CE1-CG2 4.41Å; Y643-V647 HydrophobicContact CE2-CG2 4.25Å; Y643-V647 WeakPolarHBondContact O-CG2 3.5Å; Y643-V647 PolarHBondContact O-N 3.26Å; C644-V647 PolarHBondContact O-N 3.04Å; V647-R649 VanDerWaalsContact C-N 3.33Å; V647-R649 PolarHBondContact O-N 3.23Å; V647-L650 PolarHBondContact O-N 3.29Å; V647-L651 HydrophobicContact CG1-CD1 4.26Å; V647-L651 WeakPolarHBondContact O-CG 3.41Å; V647-L651 PolarHBondContact O-N 3.47Å; V647-I686 HydrophobicContact CB-CD1 4Å; V647-I686 HydrophobicContact CG1-CD1 3.38Å; V647-M748 HydrophobicContact CB-CE 3.58Å; V647-M748 HydrophobicContact CG1-CE 4.14Å; V647-M748 HydrophobicContact CG2-CE 3.53Å; V647-C751 HydrophobicContact CG1-CB 3.6Å; V647-V752 HydrophobicContact CG1-CG2 4.33Å; V647-V752 HydrophobicContact CG2-CG2 3.63Å
648	E	93.4	Very high	89.1	Confident	19 Å²	19	28 Å²	28	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-56.3	-48.1	170.9	-168.9	-158.4	-176.8	0	0	111.1	C644 K645 H646 L650 L651 C652 L683 I686 Q687 Q690	C644-E648 PolarHBondContact O-N 2.71Å; K645-E648 VanDerWaalsContact CD-OE2 3.31Å; K645-E648 WeakPolarHBondContact CD-OE2 3.39Å; K645-E648 WeakPolarHBondContact CE-OE2 3.39Å; K645-E648 IonicContact NZ-OE2 3.3Å; K645-E648 PolarHBondContact NZ-OE2 2.68Å; H646-E648 VanDerWaalsContact C-N 3.34Å; H646-E648 PolarHBondContact O-N 3.39Å; E648-L650 PolarHBondContact O-N 3.11Å; E648-L651 PolarHBondContact O-N 3.49Å; E648-C652 PolarHBondContact O-N 2.82Å; E648-C652 PolarHBondContact O-SG 3.17Å; E648-C652 VanDerWaalsContact O-SG 3.39Å; E648-L683 HydrophobicContact CG-CD1 3.95Å; E648-I686 HydrophobicContact CB-CG2 3.99Å; E648-Q687 HydrophobicContact CG-CG 4.08Å; E648-Q687 WeakPolarHBondContact OE1-CG 3.18Å; E648-Q687 PolarHBondContact OE1-NE2 3.45Å; E648-Q690 VanDerWaalsContact CD-OE1 3.3Å; E648-Q690 PolarHBondContact OE2-OE1 3.44Å
649	R	91.4	Very high	88.1	Confident	38 Å²	38	35.1 Å²	35.1	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-41.6	178	-73.5	-175	69.1	-130.9	-14.3	112.1	M528 D529 E532 K645 H646 V647 L651 C652 N653	M528-R649 VanDerWaalsContact C-NH1 3.27Å; M528-R649 PolarHBondContact O-NH1 3.27Å; M528-R649 VanDerWaalsContact O-NH1 3.14Å; D529-R649 IonicContact OD1-CZ 2.98Å; D529-R649 VanDerWaalsContact OD1-CZ 3.25Å; D529-R649 IonicContact OD1-NE 2.71Å; D529-R649 IonicContact OD1-NH1 3.58Å; D529-R649 IonicContact OD1-NH2 2.7Å; D529-R649 PolarHBondContact OD1-NH2 3.5Å; E532-R649 IonicContact OE2-NH2 2.58Å; K645-R649 WeakPolarHBondContact O-CG 3.29Å; K645-R649 PolarHBondContact O-N 3.37Å; K645-R649 VanDerWaalsContact O-N 3.08Å; H646-R649 PolarHBondContact O-N 3.13Å; H646-R649 VanDerWaalsContact O-N 3.14Å; V647-R649 VanDerWaalsContact C-N 3.33Å; V647-R649 PolarHBondContact O-N 3.23Å; R649-L651 PolarHBondContact O-N 3.31Å; R649-C652 WeakPolarHBondContact O-CB 3.18Å; R649-C652 PolarHBondContact O-N 3.44Å; R649-N653 VanDerWaalsContact O-CG 3.28Å; R649-N653 PolarHBondContact O-N 2.96Å
650	L	90.1	Very high	86.9	Confident	13 Å²	13	37.8 Å²	37.8	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-44.7	175.9	-70.4	-178.6	0	0	0	112.4	H646 V647 E648 C652 N653 V654 V752 T755	H646-L650 VanDerWaalsContact NE2-CD1 3.31Å; H646-L650 WeakPolarHBondContact NE2-CD1 3.47Å; H646-L650 PolarHBondContact O-N 3.27Å; V647-L650 PolarHBondContact O-N 3.29Å; E648-L650 PolarHBondContact O-N 3.11Å; L650-C652 VanDerWaalsContact C-N 3.32Å; L650-C652 PolarHBondContact O-N 3.07Å; L650-N653 PolarHBondContact O-N 3.32Å; L650-V654 WeakPolarHBondContact O-CG2 3.39Å; L650-V654 PolarHBondContact O-N 3.09Å; L650-V752 HydrophobicContact CD1-CG1 4.47Å; L650-V752 HydrophobicContact CD1-CG2 4.26Å; L650-T755 HydrophobicContact CB-CG2 4.08Å
651	L	91.6	Very high	85.6	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-35.3	177.4	-73.6	165.3	0	0	0	112.4	V647 E648 R649 W655 R679 M682 L683 I686 F754 T755	V647-L651 HydrophobicContact CG1-CD1 4.26Å; V647-L651 WeakPolarHBondContact O-CG 3.41Å; V647-L651 PolarHBondContact O-N 3.47Å; E648-L651 PolarHBondContact O-N 3.49Å; R649-L651 PolarHBondContact O-N 3.31Å; L651-W655 PolarHBondContact O-N 2.79Å; L651-R679 HydrophobicContact CD2-CG 4.11Å; L651-M682 HydrophobicContact CD1-CB 4.03Å; L651-M682 HydrophobicContact CD2-CB 4.15Å; L651-M682 HydrophobicContact CD2-SD 4.42Å; L651-L683 HydrophobicContact CB-CD1 4.15Å; L651-L683 HydrophobicContact CD1-CB 4.46Å; L651-I686 HydrophobicContact CD1-CD1 3.6Å; L651-F754 HydrophobicContact CD2-CD1 4.09Å; L651-F754 HydrophobicContact CD2-CE1 4.18Å; L651-T755 HydrophobicContact CD2-CG2 3.55Å; L651-T755 HydrophobicContact CG-CG2 3.86Å
652	C	90.8	Very high	84.3	Confident	42 Å²	42	46.1 Å²	46.1	28%	0.284	21%	0.212	S	C	.	.	H	α-helix	trans	-67.8	-41.5	172.5	-73.5	0	0	0	0	112	E648 R649 L650 V654 W655 I656	E648-C652 PolarHBondContact O-N 2.82Å; E648-C652 PolarHBondContact O-SG 3.17Å; E648-C652 VanDerWaalsContact O-SG 3.39Å; R649-C652 WeakPolarHBondContact O-CB 3.18Å; R649-C652 PolarHBondContact O-N 3.44Å; L650-C652 VanDerWaalsContact C-N 3.32Å; L650-C652 PolarHBondContact O-N 3.07Å; C652-V654 VanDerWaalsContact C-N 3.31Å; C652-V654 PolarHBondContact O-N 3.41Å; C652-W655 WeakPolarHBondContact O-CA 3.5Å; C652-W655 WeakPolarHBondContact O-CB 3.35Å; C652-W655 PolarHBondContact O-N 3.16Å; C652-I656 WeakPolarHBondContact O-CG1 3.48Å; C652-I656 PolarHBondContact O-N 2.83Å
653	N	87.6	Confident	82.8	Confident	54 Å²	54	52.4 Å²	52.4	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-41.7	175.6	-72.3	-10.9	0	0	0	111.3	R649 L650 W655 I656 S657	R649-N653 VanDerWaalsContact O-CG 3.28Å; R649-N653 PolarHBondContact O-N 2.96Å; L650-N653 PolarHBondContact O-N 3.32Å; N653-W655 VanDerWaalsContact C-N 3.31Å; N653-W655 PolarHBondContact O-N 3.39Å; N653-I656 PolarHBondContact O-N 3.07Å; N653-S657 PolarHBondContact O-N 3.27Å; N653-S657 PolarHBondContact O-OG 2.97Å
654	V	86.6	Confident	81.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-38.8	171.8	168.9	0	0	0	0	111.6	L650 C652 I656 S657 N658 T755 I758 Q759	L650-V654 WeakPolarHBondContact O-CG2 3.39Å; L650-V654 PolarHBondContact O-N 3.09Å; C652-V654 VanDerWaalsContact C-N 3.31Å; C652-V654 PolarHBondContact O-N 3.41Å; V654-I656 VanDerWaalsContact C-N 3.33Å; V654-I656 PolarHBondContact O-N 2.92Å; V654-S657 WeakPolarHBondContact CA-OG 3.4Å; V654-S657 PolarHBondContact O-N 3.15Å; V654-S657 PolarHBondContact O-OG 3.14Å; V654-N658 VanDerWaalsContact O-CB 3.24Å; V654-N658 WeakPolarHBondContact O-CB 3.13Å; V654-N658 PolarHBondContact O-N 3.23Å; V654-N658 PolarHBondContact O-ND2 3.36Å; V654-N658 PolarHBondContact O-OD1 3.27Å; V654-T755 HydrophobicContact CG2-CG2 3.91Å; V654-I758 HydrophobicContact CG1-CB 4.02Å; V654-I758 HydrophobicContact CG1-CG1 4.46Å; V654-I758 HydrophobicContact CG1-CG2 3.49Å; V654-I758 VanDerWaalsContact CG1-CG2 3.49Å; V654-Q759 HydrophobicContact CG2-CG 3.92Å
655	W	86.6	Confident	79.8	Confident	157 Å²	157	57.8 Å²	57.8	60%	0.595	28%	0.279	S	S	*	.	H	α-helix	trans	-63.1	-39.3	175.4	178.1	78.6	0	0	0	112.7	L651 C652 N653 N658 K659	L651-W655 PolarHBondContact O-N 2.79Å; C652-W655 WeakPolarHBondContact O-CA 3.5Å; C652-W655 WeakPolarHBondContact O-CB 3.35Å; C652-W655 PolarHBondContact O-N 3.16Å; N653-W655 VanDerWaalsContact C-N 3.31Å; N653-W655 PolarHBondContact O-N 3.39Å; W655-N658 PolarHBondContact O-N 2.95Å; W655-K659 PolarHBondContact O-N 2.59Å
656	I	84.3	Confident	78	Confident	102 Å²	102	62.6 Å²	62.6	52%	0.523	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-49.2	175.9	-63.3	168	0	0	0	110.1	C652 N653 V654 N658 K659	C652-I656 WeakPolarHBondContact O-CG1 3.48Å; C652-I656 PolarHBondContact O-N 2.83Å; N653-I656 PolarHBondContact O-N 3.07Å; V654-I656 VanDerWaalsContact C-N 3.33Å; V654-I656 PolarHBondContact O-N 2.92Å; I656-N658 PolarHBondContact O-N 3.33Å; I656-K659 VanDerWaalsContact O-CB 3.27Å; I656-K659 WeakPolarHBondContact O-CB 3.31Å; I656-K659 PolarHBondContact O-N 3.42Å; I656-K659 VanDerWaalsContact O-N 3.12Å
657	S	75.9	Confident	76.4	Confident	16 Å²	16	66.4 Å²	66.4	11%	0.112	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-31.3	177.1	64.7	0	0	0	0	111.9	N653 V654 K659 D660	N653-S657 PolarHBondContact O-N 3.27Å; N653-S657 PolarHBondContact O-OG 2.97Å; V654-S657 WeakPolarHBondContact CA-OG 3.4Å; V654-S657 PolarHBondContact O-N 3.15Å; V654-S657 PolarHBondContact O-OG 3.14Å; S657-K659 PolarHBondContact O-N 2.98Å; S657-D660 WeakPolarHBondContact O-CB 3.4Å; S657-D660 PolarHBondContact O-N 3.25Å
658	N	75.2	Confident	75	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-69.3	-16.5	179.1	-71.6	-3.6	0	0	0	114.3	V654 W655 I656 D660 F661 F676	V654-N658 VanDerWaalsContact O-CB 3.24Å; V654-N658 WeakPolarHBondContact O-CB 3.13Å; V654-N658 PolarHBondContact O-N 3.23Å; V654-N658 PolarHBondContact O-ND2 3.36Å; V654-N658 PolarHBondContact O-OD1 3.27Å; W655-N658 PolarHBondContact O-N 2.95Å; I656-N658 PolarHBondContact O-N 3.33Å; N658-D660 PolarHBondContact O-N 2.97Å; N658-F661 VanDerWaalsContact CA-CD2 3.43Å; N658-F661 HydrophobicContact CB-CD2 3.92Å; N658-F661 HydrophobicContact CB-CE2 4.44Å; N658-F661 WeakPolarHBondContact O-CB 3.49Å; N658-F661 PolarHBondContact O-N 2.96Å; N658-F661 VanDerWaalsContact O-N 3.11Å; N658-F661 WeakPolarHBondContact OD1-CD2 3.31Å; N658-F661 WeakPolarHBondContact OD1-CE2 3.43Å; N658-F676 HydrophobicContact CB-CD1 4.32Å; N658-F676 HydrophobicContact CB-CE1 3.61Å; N658-F676 HydrophobicContact CB-CZ 4.21Å; N658-F676 WeakPolarHBondContact ND2-CD1 3.32Å; N658-F676 VanDerWaalsContact ND2-CE1 3.32Å; N658-F676 WeakPolarHBondContact ND2-CE1 3.32Å
659	K	73.1	Confident	73.6	Confident	151 Å²	151	69.2 Å²	69.2	66%	0.657	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62.1	-32.5	174.2	-172.6	179.3	174.3	-175.4	0	111.5	W655 I656 S657 F661 K662	W655-K659 PolarHBondContact O-N 2.59Å; I656-K659 VanDerWaalsContact O-CB 3.27Å; I656-K659 WeakPolarHBondContact O-CB 3.31Å; I656-K659 PolarHBondContact O-N 3.42Å; I656-K659 VanDerWaalsContact O-N 3.12Å; S657-K659 PolarHBondContact O-N 2.98Å; K659-F661 PolarHBondContact O-N 3.34Å; K659-K662 PolarHBondContact O-N 3.47Å
660	D	66.6	Low	72.5	Confident	62 Å²	62	74.9 Å²	74.9	33%	0.332	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-67.7	-24.6	177.7	-61.5	-21.8	0	0	0	111.5	S657 N658 K662 L663 Y664 R766	S657-D660 WeakPolarHBondContact O-CB 3.4Å; S657-D660 PolarHBondContact O-N 3.25Å; N658-D660 PolarHBondContact O-N 2.97Å; D660-K662 PolarHBondContact O-N 2.78Å; D660-K662 VanDerWaalsContact O-N 3.12Å; D660-L663 WeakPolarHBondContact O-CB 3.49Å; D660-L663 PolarHBondContact O-N 3.43Å; D660-L663 VanDerWaalsContact O-N 3.16Å; D660-Y664 WeakPolarHBondContact O-CD2 3.47Å; D660-Y664 WeakPolarHBondContact O-CE2 3.22Å; D660-R766 IonicContact OD2-CZ 3.29Å; D660-R766 IonicContact OD2-NE 2.8Å; D660-R766 IonicContact OD2-NH2 2.89Å; D660-R766 PolarHBondContact OD2-NH2 3.49Å
661	F	64.6	Low	71.5	Confident	14 Å²	14	78 Å²	78	6%	0.061	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-64.8	-15.8	178.2	-69.6	-56.8	0	0	0	114.2	N658 K659 L663 Y664 F672 F676 F761 T762	N658-F661 VanDerWaalsContact CA-CD2 3.43Å; N658-F661 HydrophobicContact CB-CD2 3.92Å; N658-F661 HydrophobicContact CB-CE2 4.44Å; N658-F661 WeakPolarHBondContact O-CB 3.49Å; N658-F661 PolarHBondContact O-N 2.96Å; N658-F661 VanDerWaalsContact O-N 3.11Å; N658-F661 WeakPolarHBondContact OD1-CD2 3.31Å; N658-F661 WeakPolarHBondContact OD1-CE2 3.43Å; K659-F661 PolarHBondContact O-N 3.34Å; F661-L663 PolarHBondContact O-N 3.04Å; F661-Y664 VanDerWaalsContact CA-CD2 3.48Å; F661-Y664 HydrophobicContact CB-CD2 4.46Å; F661-Y664 HydrophobicContact CD1-CD2 4.03Å; F661-Y664 AromaticContact CD1-CE2 3.92Å; F661-Y664 HydrophobicContact CD1-CE2 3.92Å; F661-Y664 PolarHBondContact O-N 2.88Å; F661-F672 HydrophobicContact CB-CD1 4.38Å; F661-F672 HydrophobicContact CB-CE1 4.4Å; F661-F672 HydrophobicContact CD1-CD1 4.19Å; F661-F672 AromaticContact CD1-CE1 3.41Å; F661-F672 HydrophobicContact CD1-CE1 3.41Å; F661-F672 VanDerWaalsContact CD1-CE1 3.41Å; F661-F672 HydrophobicContact CD1-CE2 4.3Å; F661-F672 AromaticContact CD1-CZ 3.5Å; F661-F672 HydrophobicContact CD1-CZ 3.5Å; F661-F672 VanDerWaalsContact CD1-CZ 3.5Å; F661-F672 HydrophobicContact CD2-CD1 4.16Å; F661-F672 AromaticContact CD2-CE1 3.99Å; F661-F672 HydrophobicContact CD2-CE1 3.99Å; F661-F672 AromaticContact CE1-CE1 3.52Å; F661-F672 HydrophobicContact CE1-CE1 3.52Å; F661-F672 AromaticContact CE1-CZ 3.74Å; F661-F672 HydrophobicContact CE1-CZ 3.74Å; F661-F672 HydrophobicContact CE2-CE1 4.15Å; F661-F672 HydrophobicContact CG-CD1 4Å; F661-F672 AromaticContact CG-CE1 3.69Å; F661-F672 HydrophobicContact CG-CE1 3.69Å; F661-F672 HydrophobicContact CG-CZ 4.12Å; F661-F672 AromaticContact CZ-CE1 3.91Å; F661-F672 HydrophobicContact CZ-CE1 3.91Å; F661-F676 HydrophobicContact CB-CZ 4.16Å; F661-F676 HydrophobicContact CD2-CE1 4.35Å; F661-F676 HydrophobicContact CD2-CZ 4.42Å; F661-F761 HydrophobicContact CZ-CD1 4.44Å; F661-T762 HydrophobicContact CE1-CG2 4.43Å; F661-T762 HydrophobicContact CE2-CG2 4.22Å; F661-T762 HydrophobicContact CZ-CG2 3.73Å; F661-T762 WeakPolarHBondContact CZ-OG1 3.31Å
662	K	62.8	Low	70.8	Confident	174 Å²	174	79 Å²	79	76%	0.757	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-68.3	-10.3	175	-64.9	-176	178.6	-176.6	0	113.7	K659 D660	K659-K662 PolarHBondContact O-N 3.47Å; D660-K662 PolarHBondContact O-N 2.78Å; D660-K662 VanDerWaalsContact O-N 3.12Å
663	L	61.7	Low	70.3	Confident	133 Å²	133	79.7 Å²	79.7	70%	0.696	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-92.2	-0.7	-179.8	-64.5	166.6	0	0	0	113.6	D660 F661	D660-L663 WeakPolarHBondContact O-CB 3.49Å; D660-L663 PolarHBondContact O-N 3.43Å; D660-L663 VanDerWaalsContact O-N 3.16Å; F661-L663 PolarHBondContact O-N 3.04Å
664	Y	62	Low	70.1	Confident	72 Å²	72	79.3 Å²	79.3	28%	0.282	41%	0.411	S	S	.	.	S	Bend	trans	-104.7	164	-171.6	-61.8	-95.3	0	0	0	113.6	D660 F661	D660-Y664 WeakPolarHBondContact O-CD2 3.47Å; D660-Y664 WeakPolarHBondContact O-CE2 3.22Å; F661-Y664 VanDerWaalsContact CA-CD2 3.48Å; F661-Y664 HydrophobicContact CB-CD2 4.46Å; F661-Y664 HydrophobicContact CD1-CD2 4.03Å; F661-Y664 AromaticContact CD1-CE2 3.92Å; F661-Y664 HydrophobicContact CD1-CE2 3.92Å; F661-Y664 PolarHBondContact O-N 2.88Å
665	S	58	Low	69.9	Low	85 Å²	85	79.5 Å²	79.5	59%	0.594	41%	0.412	S	S	*	.			trans	-59.7	150	-172.2	-175.8	0	0	0	0	115.1	P667	S665-P667 VanDerWaalsContact C-CD 3.4Å; S665-P667 WeakPolarHBondContact OG-CD 3.35Å
666	L	54.8	Low	69.9	Low	159 Å²	159	75.1 Å²	75.1	83%	0.832	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.5	-32.2	-175.4	-78.6	150.7	0	0	0	117.2	A669	L666-A669 VanDerWaalsContact O-CB 3.27Å; L666-A669 WeakPolarHBondContact O-CB 3.22Å; L666-A669 PolarHBondContact O-N 2.78Å
667	P	56.3	Low	70.1	Confident	95 Å²	95	72.9 Å²	72.9	62%	0.617	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-68.4	-35.7	-178.8	-21.7	34.4	0	0	0	114	S665 A669	S665-P667 VanDerWaalsContact C-CD 3.4Å; S665-P667 WeakPolarHBondContact OG-CD 3.35Å; P667-A669 PolarHBondContact O-N 3.18Å
668	S	61.8	Low	70.8	Confident	28 Å²	28	72.3 Å²	72.3	20%	0.196	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-76	-11.4	-180	-44.6	0	0	0	0	112.6	K670 W671 F672	S668-K670 VanDerWaalsContact C-N 3.3Å; S668-K670 PolarHBondContact O-N 3.2Å; S668-W671 PolarHBondContact O-N 3.5Å; S668-F672 WeakPolarHBondContact O-CD2 3.4Å; S668-F672 PolarHBondContact O-N 3.32Å
669	A	64.8	Low	71.5	Confident	49 Å²	49	72.5 Å²	72.5	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-28.9	-175	0	0	0	0	0	114.3	L666 P667 A673	L666-A669 VanDerWaalsContact O-CB 3.27Å; L666-A669 WeakPolarHBondContact O-CB 3.22Å; L666-A669 PolarHBondContact O-N 2.78Å; P667-A669 PolarHBondContact O-N 3.18Å; A669-A673 WeakPolarHBondContact O-CB 3.2Å; A669-A673 PolarHBondContact O-N 3.31Å
670	K	68.6	Low	72.4	Confident	158 Å²	158	69.6 Å²	69.6	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-68.4	-42.5	179.2	-70.8	-175.6	179.8	179.1	0	112.3	S668 A673 A674	S668-K670 VanDerWaalsContact C-N 3.3Å; S668-K670 PolarHBondContact O-N 3.2Å; K670-A673 WeakPolarHBondContact O-CB 3.34Å; K670-A673 PolarHBondContact O-N 3.49Å; K670-A674 PolarHBondContact O-N 3.08Å; K670-A674 VanDerWaalsContact O-N 3.14Å
671	W	68.9	Low	73.5	Confident	77 Å²	77	69.1 Å²	69.1	29%	0.292	37%	0.372	S	S	.	.	H	α-helix	trans	-74.2	-37	-179.3	-38.5	130.4	0	0	0	111.3	S668 A673 A674 A675 E812	S668-W671 PolarHBondContact O-N 3.5Å; W671-A673 VanDerWaalsContact C-N 3.31Å; W671-A673 PolarHBondContact O-N 2.95Å; W671-A674 PolarHBondContact O-N 3.24Å; W671-A675 PolarHBondContact O-N 3.21Å; W671-E812 HydrophobicContact CD2-CB 4.02Å; W671-E812 HydrophobicContact CD2-CG 3.92Å; W671-E812 HydrophobicContact CE3-CB 4.05Å; W671-E812 HydrophobicContact CE3-CG 3.43Å; W671-E812 VanDerWaalsContact CE3-CG 3.43Å; W671-E812 HydrophobicContact CG-CB 4.36Å; W671-E812 HydrophobicContact CH2-CG 4.14Å; W671-E812 WeakPolarHBondContact CH2-OE1 3.39Å; W671-E812 WeakPolarHBondContact CH2-OE2 3.27Å; W671-E812 WeakPolarHBondContact CZ2-OE2 3Å; W671-E812 HydrophobicContact CZ3-CG 3.58Å; W671-E812 WeakPolarHBondContact CZ3-OE1 2.81Å; W671-E812 WeakPolarHBondContact CZ3-OE2 3.39Å
672	F	75.2	Confident	74.9	Confident	23 Å²	23	68.4 Å²	68.4	10%	0.101	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-41.1	170.2	-72.2	-57.7	0	0	0	111.8	F661 S668 A674 A675 F676 F761	F661-F672 HydrophobicContact CB-CD1 4.38Å; F661-F672 HydrophobicContact CB-CE1 4.4Å; F661-F672 HydrophobicContact CD1-CD1 4.19Å; F661-F672 AromaticContact CD1-CE1 3.41Å; F661-F672 HydrophobicContact CD1-CE1 3.41Å; F661-F672 VanDerWaalsContact CD1-CE1 3.41Å; F661-F672 HydrophobicContact CD1-CE2 4.3Å; F661-F672 AromaticContact CD1-CZ 3.5Å; F661-F672 HydrophobicContact CD1-CZ 3.5Å; F661-F672 VanDerWaalsContact CD1-CZ 3.5Å; F661-F672 HydrophobicContact CD2-CD1 4.16Å; F661-F672 AromaticContact CD2-CE1 3.99Å; F661-F672 HydrophobicContact CD2-CE1 3.99Å; F661-F672 AromaticContact CE1-CE1 3.52Å; F661-F672 HydrophobicContact CE1-CE1 3.52Å; F661-F672 AromaticContact CE1-CZ 3.74Å; F661-F672 HydrophobicContact CE1-CZ 3.74Å; F661-F672 HydrophobicContact CE2-CE1 4.15Å; F661-F672 HydrophobicContact CG-CD1 4Å; F661-F672 AromaticContact CG-CE1 3.69Å; F661-F672 HydrophobicContact CG-CE1 3.69Å; F661-F672 HydrophobicContact CG-CZ 4.12Å; F661-F672 AromaticContact CZ-CE1 3.91Å; F661-F672 HydrophobicContact CZ-CE1 3.91Å; S668-F672 WeakPolarHBondContact O-CD2 3.4Å; S668-F672 PolarHBondContact O-N 3.32Å; F672-A674 PolarHBondContact O-N 3.38Å; F672-A675 PolarHBondContact O-N 3.03Å; F672-F676 HydrophobicContact CB-CE1 4.37Å; F672-F676 HydrophobicContact CB-CE2 3.96Å; F672-F676 HydrophobicContact CB-CZ 3.85Å; F672-F676 HydrophobicContact CD1-CZ 4.43Å; F672-F676 HydrophobicContact CG-CZ 4.43Å; F672-F676 WeakPolarHBondContact O-CB 3.32Å; F672-F676 VanDerWaalsContact O-CD1 3.25Å; F672-F676 WeakPolarHBondContact O-CD1 3.46Å; F672-F676 VanDerWaalsContact O-CD2 3.24Å; F672-F676 WeakPolarHBondContact O-CD2 3.49Å; F672-F676 WeakPolarHBondContact O-CG 3.49Å; F672-F676 PolarHBondContact O-N 3.46Å; F672-F761 AromaticContact CE1-CE1 3.9Å; F672-F761 HydrophobicContact CE1-CE1 3.9Å; F672-F761 AromaticContact CZ-CE1 3.96Å; F672-F761 HydrophobicContact CZ-CE1 3.96Å
673	A	80.6	Confident	76.4	Confident	55 Å²	55	60.8 Å²	60.8	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.2	0	0	0	0	0	112.3	A669 K670 W671 F676 A677	A669-A673 WeakPolarHBondContact O-CB 3.2Å; A669-A673 PolarHBondContact O-N 3.31Å; K670-A673 WeakPolarHBondContact O-CB 3.34Å; K670-A673 PolarHBondContact O-N 3.49Å; W671-A673 VanDerWaalsContact C-N 3.31Å; W671-A673 PolarHBondContact O-N 2.95Å; A673-F676 PolarHBondContact O-N 3.29Å; A673-A677 WeakPolarHBondContact O-CB 3.45Å; A673-A677 PolarHBondContact O-N 3.22Å
674	A	83.1	Confident	77.8	Confident	47 Å²	47	58.1 Å²	58.1	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-44.7	175.3	0	0	0	0	0	112.1	K670 W671 F672 F676 A677 L678 I815	K670-A674 PolarHBondContact O-N 3.08Å; K670-A674 VanDerWaalsContact O-N 3.14Å; W671-A674 PolarHBondContact O-N 3.24Å; F672-A674 PolarHBondContact O-N 3.38Å; A674-F676 VanDerWaalsContact C-N 3.35Å; A674-F676 PolarHBondContact O-N 3.08Å; A674-A677 PolarHBondContact O-N 3.41Å; A674-L678 PolarHBondContact O-N 2.98Å; A674-I815 HydrophobicContact CB-CG2 4.31Å
675	A	84	Confident	79.2	Confident	3 Å²	3	55 Å²	55	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-36.9	175.4	0	0	0	0	0	112.5	W671 F672 R679 I758 I815	W671-A675 PolarHBondContact O-N 3.21Å; F672-A675 PolarHBondContact O-N 3.03Å; A675-R679 VanDerWaalsContact O-CB 3.31Å; A675-R679 WeakPolarHBondContact O-CB 3.45Å; A675-R679 PolarHBondContact O-N 3.01Å; A675-I758 HydrophobicContact CB-CD1 4.22Å; A675-I815 HydrophobicContact CB-CD1 4.11Å; A675-I815 HydrophobicContact CB-CG1 4.37Å; A675-I815 HydrophobicContact CB-CG2 4.35Å
676	F	86.8	Confident	80.9	Confident	65 Å²	65	51 Å²	51	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-39.3	175.8	-62	-17.4	0	0	0	112.1	N658 F661 F672 A673 A674 Q680	N658-F676 HydrophobicContact CB-CD1 4.32Å; N658-F676 HydrophobicContact CB-CE1 3.61Å; N658-F676 HydrophobicContact CB-CZ 4.21Å; N658-F676 WeakPolarHBondContact ND2-CD1 3.32Å; N658-F676 VanDerWaalsContact ND2-CE1 3.32Å; N658-F676 WeakPolarHBondContact ND2-CE1 3.32Å; F661-F676 HydrophobicContact CB-CZ 4.16Å; F661-F676 HydrophobicContact CD2-CE1 4.35Å; F661-F676 HydrophobicContact CD2-CZ 4.42Å; F672-F676 HydrophobicContact CB-CE1 4.37Å; F672-F676 HydrophobicContact CB-CE2 3.96Å; F672-F676 HydrophobicContact CB-CZ 3.85Å; F672-F676 HydrophobicContact CD1-CZ 4.43Å; F672-F676 HydrophobicContact CG-CZ 4.43Å; F672-F676 WeakPolarHBondContact O-CB 3.32Å; F672-F676 VanDerWaalsContact O-CD1 3.25Å; F672-F676 WeakPolarHBondContact O-CD1 3.46Å; F672-F676 VanDerWaalsContact O-CD2 3.24Å; F672-F676 WeakPolarHBondContact O-CD2 3.49Å; F672-F676 WeakPolarHBondContact O-CG 3.49Å; F672-F676 PolarHBondContact O-N 3.46Å; A673-F676 PolarHBondContact O-N 3.29Å; A674-F676 VanDerWaalsContact C-N 3.35Å; A674-F676 PolarHBondContact O-N 3.08Å; F676-Q680 WeakPolarHBondContact O-CB 3.31Å; F676-Q680 PolarHBondContact O-N 3.39Å
677	A	87.4	Confident	82.7	Confident	56 Å²	56	45.6 Å²	45.6	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-48.2	174.4	0	0	0	0	0	110.9	A673 A674 Q680 R681	A673-A677 WeakPolarHBondContact O-CB 3.45Å; A673-A677 PolarHBondContact O-N 3.22Å; A674-A677 PolarHBondContact O-N 3.41Å; A677-Q680 PolarHBondContact O-N 3.03Å; A677-R681 WeakPolarHBondContact O-CG 3.45Å; A677-R681 PolarHBondContact O-N 2.7Å
678	L	90.3	Very high	84.4	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-48.2	176.8	-179.9	56.7	0	0	0	112.1	A674 Q680 R681 M682 F754 I815 F818 D819 F822	A674-L678 PolarHBondContact O-N 2.98Å; L678-Q680 VanDerWaalsContact C-N 3.27Å; L678-Q680 PolarHBondContact O-N 2.98Å; L678-R681 WeakPolarHBondContact O-CB 3.35Å; L678-R681 PolarHBondContact O-N 3.29Å; L678-R681 VanDerWaalsContact O-N 3.13Å; L678-M682 HydrophobicContact CD1-CE 3.86Å; L678-M682 HydrophobicContact CD1-CG 4.35Å; L678-M682 HydrophobicContact CD1-SD 4.41Å; L678-M682 HydrophobicContact CD2-CE 4.17Å; L678-M682 HydrophobicContact CG-CE 3.95Å; L678-M682 HydrophobicContact CG-SD 4.19Å; L678-M682 WeakPolarHBondContact O-CG 3.34Å; L678-M682 PolarHBondContact O-N 3.29Å; L678-F754 HydrophobicContact CD2-CD2 3.85Å; L678-F754 HydrophobicContact CD2-CE2 3.79Å; L678-F754 HydrophobicContact CG-CD2 4.48Å; L678-F754 HydrophobicContact CG-CE2 4.21Å; L678-I815 HydrophobicContact CD2-CG2 4.37Å; L678-F818 HydrophobicContact CD2-CB 3.69Å; L678-D819 HydrophobicContact CD1-CB 4.12Å; L678-D819 WeakPolarHBondContact CD1-OD1 3.42Å; L678-D819 HydrophobicContact CD2-CB 4.17Å; L678-F822 HydrophobicContact CD1-CB 4.34Å; L678-F822 HydrophobicContact CD1-CD1 4.27Å; L678-F822 HydrophobicContact CD1-CG 4.42Å
679	R	91.2	Very high	85.8	Confident	13 Å²	13	41.1 Å²	41.1	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-56	-43	174.8	-176.2	-156.7	61.5	73.1	13.6	111.3	L651 A675 M682 L683 F754	L651-R679 HydrophobicContact CD2-CG 4.11Å; A675-R679 VanDerWaalsContact O-CB 3.31Å; A675-R679 WeakPolarHBondContact O-CB 3.45Å; A675-R679 PolarHBondContact O-N 3.01Å; R679-M682 PolarHBondContact O-N 3.15Å; R679-L683 VanDerWaalsContact O-CB 3.26Å; R679-L683 WeakPolarHBondContact O-CB 3.2Å; R679-L683 PolarHBondContact O-N 3.05Å; R679-F754 HydrophobicContact CB-CE1 3.78Å; R679-F754 HydrophobicContact CB-CZ 3.89Å; R679-F754 HydrophobicContact CG-CE1 4.15Å
680	Q	90.3	Very high	87	Confident	91 Å²	91	39.4 Å²	39.4	43%	0.425	21%	0.206	S	C	.	.	H	α-helix	trans	-65.5	-38.9	179.4	-172.7	59	34.1	0	0	111.8	F676 A677 L678 N684	F676-Q680 WeakPolarHBondContact O-CB 3.31Å; F676-Q680 PolarHBondContact O-N 3.39Å; A677-Q680 PolarHBondContact O-N 3.03Å; L678-Q680 VanDerWaalsContact C-N 3.27Å; L678-Q680 PolarHBondContact O-N 2.98Å; Q680-N684 WeakPolarHBondContact O-CB 3.49Å; Q680-N684 PolarHBondContact O-N 3.48Å
681	R	91.4	Very high	88.1	Confident	51 Å²	51	36.7 Å²	36.7	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-48	173.9	-69.7	177.6	64.6	-162.2	-1.8	111.6	A677 L678 N684 F685 D819 F822 S823 Y858	A677-R681 WeakPolarHBondContact O-CG 3.45Å; A677-R681 PolarHBondContact O-N 2.7Å; L678-R681 WeakPolarHBondContact O-CB 3.35Å; L678-R681 PolarHBondContact O-N 3.29Å; L678-R681 VanDerWaalsContact O-N 3.13Å; R681-N684 PolarHBondContact O-N 3.26Å; R681-F685 WeakPolarHBondContact O-CB 3.42Å; R681-F685 PolarHBondContact O-N 3.46Å; R681-D819 IonicContact CZ-OD1 2.72Å; R681-D819 IonicContact NH1-OD1 3.82Å; R681-D819 PolarHBondContact NH1-OD1 3.22Å; R681-D819 IonicContact NH1-OD2 2.59Å; R681-F822 HydrophobicContact CB-CE1 4.16Å; R681-S823 PolarHBondContact NH1-OG 2.71Å; R681-S823 PolarHBondContact NH2-OG 3Å; R681-Y858 PolarHBondContact NE-OH 3.18Å; R681-Y858 PolarHBondContact NH2-OH 3.02Å
682	M	94.1	Very high	89.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-45.3	176.9	-70.5	175.4	167.1	0	0	112.1	L651 L678 R679 F685 I686 V750 C751 F754 F822	L651-M682 HydrophobicContact CD1-CB 4.03Å; L651-M682 HydrophobicContact CD2-CB 4.15Å; L651-M682 HydrophobicContact CD2-SD 4.42Å; L678-M682 HydrophobicContact CD1-CE 3.86Å; L678-M682 HydrophobicContact CD1-CG 4.35Å; L678-M682 HydrophobicContact CD1-SD 4.41Å; L678-M682 HydrophobicContact CD2-CE 4.17Å; L678-M682 HydrophobicContact CG-CE 3.95Å; L678-M682 HydrophobicContact CG-SD 4.19Å; L678-M682 WeakPolarHBondContact O-CG 3.34Å; L678-M682 PolarHBondContact O-N 3.29Å; R679-M682 PolarHBondContact O-N 3.15Å; M682-F685 PolarHBondContact O-N 3.14Å; M682-I686 WeakPolarHBondContact O-CG1 3.19Å; M682-I686 PolarHBondContact O-N 3.08Å; M682-V750 HydrophobicContact CE-CG1 3.98Å; M682-C751 HydrophobicContact SD-CB 4.41Å; M682-F754 HydrophobicContact CE-CB 4.01Å; M682-F754 HydrophobicContact CE-CG 4.14Å; M682-F754 HydrophobicContact SD-CB 4.06Å; M682-F754 HydrophobicContact SD-CD1 3.59Å; M682-F754 VanDerWaalsContact SD-CD1 3.59Å; M682-F754 HydrophobicContact SD-CE1 4.17Å; M682-F754 HydrophobicContact SD-CG 3.81Å; M682-F822 HydrophobicContact CB-CE2 4.33Å; M682-F822 HydrophobicContact CB-CZ 4.44Å; M682-F822 HydrophobicContact CE-CB 4.06Å; M682-F822 HydrophobicContact CE-CD2 3.83Å; M682-F822 HydrophobicContact CE-CG 4.02Å; M682-F822 HydrophobicContact CG-CD2 3.82Å; M682-F822 HydrophobicContact CG-CE1 4.36Å; M682-F822 HydrophobicContact CG-CE2 3.61Å; M682-F822 HydrophobicContact CG-CG 4.27Å; M682-F822 HydrophobicContact CG-CZ 3.92Å
683	L	92.8	Very high	89.9	Confident	13 Å²	13	32.2 Å²	32.2	7%	0.068	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-47.1	179.5	-178.7	63.8	0	0	0	111.4	E648 L651 R679 F685 I686 Q687	E648-L683 HydrophobicContact CG-CD1 3.95Å; L651-L683 HydrophobicContact CB-CD1 4.15Å; L651-L683 HydrophobicContact CD1-CB 4.46Å; R679-L683 VanDerWaalsContact O-CB 3.26Å; R679-L683 WeakPolarHBondContact O-CB 3.2Å; R679-L683 PolarHBondContact O-N 3.05Å; L683-F685 VanDerWaalsContact C-N 3.29Å; L683-F685 PolarHBondContact O-N 2.86Å; L683-I686 PolarHBondContact O-N 3.47Å; L683-Q687 HydrophobicContact CD1-CG 4.09Å; L683-Q687 HydrophobicContact CG-CG 4.39Å; L683-Q687 WeakPolarHBondContact O-CB 3.47Å; L683-Q687 VanDerWaalsContact O-CG 3.32Å; L683-Q687 WeakPolarHBondContact O-CG 3.44Å; L683-Q687 PolarHBondContact O-N 3Å
684	N	91.5	Very high	90.4	Very high	77 Å²	77	32 Å²	32	41%	0.412	17%	0.165	S	C	.	.	H	α-helix	trans	-61.6	-39.5	177.6	-174.8	68.8	0	0	0	111.4	Q680 R681 N688	Q680-N684 WeakPolarHBondContact O-CB 3.49Å; Q680-N684 PolarHBondContact O-N 3.48Å; R681-N684 PolarHBondContact O-N 3.26Å; N684-N688 VanDerWaalsContact CG-ND2 3.35Å; N684-N688 PolarHBondContact ND2-ND2 3.06Å; N684-N688 WeakPolarHBondContact O-CB 3.17Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 3.45Å; N684-N688 PolarHBondContact OD1-ND2 3.24Å; N684-N688 VanDerWaalsContact OD1-ND2 3.07Å
685	F	92	Very high	90.7	Very high	8 Å²	8	36 Å²	36	4%	0.035	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-55.7	174.5	169.3	-99.1	0	0	0	111.6	R681 M682 L683 Q687 N688 I689 F744 L747 F822 L826 L829 L852	R681-F685 WeakPolarHBondContact O-CB 3.42Å; R681-F685 PolarHBondContact O-N 3.46Å; M682-F685 PolarHBondContact O-N 3.14Å; L683-F685 VanDerWaalsContact C-N 3.29Å; L683-F685 PolarHBondContact O-N 2.86Å; F685-Q687 PolarHBondContact O-N 2.66Å; F685-N688 PolarHBondContact O-N 3.03Å; F685-I689 HydrophobicContact CD2-CG1 4.29Å; F685-I689 HydrophobicContact CE1-CG1 4.21Å; F685-I689 HydrophobicContact CE2-CD1 4.2Å; F685-I689 HydrophobicContact CE2-CG1 3.8Å; F685-I689 HydrophobicContact CZ-CD1 4.34Å; F685-I689 HydrophobicContact CZ-CG1 3.75Å; F685-I689 WeakPolarHBondContact O-CG1 3.38Å; F685-I689 PolarHBondContact O-N 3.38Å; F685-F744 HydrophobicContact CE1-CE2 4.09Å; F685-F744 HydrophobicContact CZ-CD2 4.26Å; F685-F744 AromaticContact CZ-CE2 3.97Å; F685-F744 HydrophobicContact CZ-CE2 3.97Å; F685-L747 HydrophobicContact CD1-CD1 4.36Å; F685-L747 HydrophobicContact CD1-CD2 3.58Å; F685-L747 HydrophobicContact CE1-CD1 3.73Å; F685-L747 HydrophobicContact CE1-CD2 3.25Å; F685-L747 HydrophobicContact CE1-CG 4.12Å; F685-L747 HydrophobicContact CE2-CD1 4.17Å; F685-L747 HydrophobicContact CZ-CD1 3.6Å; F685-L747 HydrophobicContact CZ-CD2 4.03Å; F685-L747 HydrophobicContact CZ-CG 4.46Å; F685-F822 HydrophobicContact CB-CZ 4.09Å; F685-F822 HydrophobicContact CG-CZ 4.31Å; F685-L826 HydrophobicContact CD2-CD1 3.46Å; F685-L826 VanDerWaalsContact CD2-CD1 3.46Å; F685-L826 HydrophobicContact CE2-CD1 3.51Å; F685-L826 HydrophobicContact CG-CD1 4.39Å; F685-L826 HydrophobicContact CZ-CD1 4.48Å; F685-L829 HydrophobicContact CE2-CD2 3.96Å; F685-L829 HydrophobicContact CZ-CD2 3.83Å; F685-L852 HydrophobicContact CD2-CD2 3.76Å; F685-L852 HydrophobicContact CE2-CD1 4.11Å; F685-L852 HydrophobicContact CE2-CD2 4.04Å
686	I	93.3	Very high	91	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-43.3	-176.7	-68.2	170.9	0	0	0	111.3	V647 E648 L651 M682 L683 N688 I689 Q690 M748 C751	V647-I686 HydrophobicContact CB-CD1 4Å; V647-I686 HydrophobicContact CG1-CD1 3.38Å; E648-I686 HydrophobicContact CB-CG2 3.99Å; L651-I686 HydrophobicContact CD1-CD1 3.6Å; M682-I686 WeakPolarHBondContact O-CG1 3.19Å; M682-I686 PolarHBondContact O-N 3.08Å; L683-I686 PolarHBondContact O-N 3.47Å; I686-N688 PolarHBondContact O-N 3.39Å; I686-I689 PolarHBondContact O-N 2.89Å; I686-Q690 HydrophobicContact CG2-CG 4.38Å; I686-Q690 WeakPolarHBondContact O-CG 3.38Å; I686-Q690 PolarHBondContact O-N 3.15Å; I686-M748 HydrophobicContact CD1-CE 4.19Å; I686-M748 HydrophobicContact CD1-SD 3.94Å; I686-M748 HydrophobicContact CG1-CE 4.47Å; I686-M748 HydrophobicContact CG1-SD 3.96Å; I686-C751 HydrophobicContact CD1-CB 4.35Å
687	Q	92.5	Very high	91.2	Very high	45 Å²	45	36.4 Å²	36.4	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-44.1	178.3	-74.7	-176.4	-28.5	0	0	111.8	E648 L683 F685 I689 Q690 Y691	E648-Q687 HydrophobicContact CG-CG 4.08Å; E648-Q687 WeakPolarHBondContact OE1-CG 3.18Å; E648-Q687 PolarHBondContact OE1-NE2 3.45Å; L683-Q687 HydrophobicContact CD1-CG 4.09Å; L683-Q687 HydrophobicContact CG-CG 4.39Å; L683-Q687 WeakPolarHBondContact O-CB 3.47Å; L683-Q687 VanDerWaalsContact O-CG 3.32Å; L683-Q687 WeakPolarHBondContact O-CG 3.44Å; L683-Q687 PolarHBondContact O-N 3Å; F685-Q687 PolarHBondContact O-N 2.66Å; Q687-I689 PolarHBondContact O-N 2.99Å; Q687-Q690 PolarHBondContact O-N 3.47Å; Q687-Y691 HydrophobicContact CB-CD2 4.39Å; Q687-Y691 HydrophobicContact CB-CE2 4.04Å; Q687-Y691 WeakPolarHBondContact O-CD2 3.39Å; Q687-Y691 VanDerWaalsContact O-CG 3.3Å; Q687-Y691 PolarHBondContact O-N 3.3Å
688	N	91.4	Very high	91.4	Very high	28 Å²	28	34.1 Å²	34.1	15%	0.15	16%	0.156	C	C	.	.	H	α-helix	trans	-66.6	-37.4	178.2	-78.6	-62.8	0	0	0	112.8	N684 F685 I686 Y691 Y692 R851 L852	N684-N688 VanDerWaalsContact CG-ND2 3.35Å; N684-N688 PolarHBondContact ND2-ND2 3.06Å; N684-N688 WeakPolarHBondContact O-CB 3.17Å; N684-N688 PolarHBondContact O-N 3.43Å; N684-N688 PolarHBondContact O-ND2 3.45Å; N684-N688 PolarHBondContact OD1-ND2 3.24Å; N684-N688 VanDerWaalsContact OD1-ND2 3.07Å; F685-N688 PolarHBondContact O-N 3.03Å; I686-N688 PolarHBondContact O-N 3.39Å; N688-Y691 PolarHBondContact O-N 3.43Å; N688-Y692 WeakPolarHBondContact O-CB 3.42Å; N688-Y692 PolarHBondContact O-N 3.11Å; N688-R851 HydrophobicContact CB-CG 4.44Å; N688-L852 HydrophobicContact CB-CD2 4.12Å
689	I	90.9	Very high	91.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-44.6	172.7	-71.2	-62.9	0	0	0	111.3	F685 I686 Q687 Y692 M693 F744 I848 L852	F685-I689 HydrophobicContact CD2-CG1 4.29Å; F685-I689 HydrophobicContact CE1-CG1 4.21Å; F685-I689 HydrophobicContact CE2-CD1 4.2Å; F685-I689 HydrophobicContact CE2-CG1 3.8Å; F685-I689 HydrophobicContact CZ-CD1 4.34Å; F685-I689 HydrophobicContact CZ-CG1 3.75Å; F685-I689 WeakPolarHBondContact O-CG1 3.38Å; F685-I689 PolarHBondContact O-N 3.38Å; I686-I689 PolarHBondContact O-N 2.89Å; Q687-I689 PolarHBondContact O-N 2.99Å; I689-Y692 WeakPolarHBondContact O-CB 3.38Å; I689-Y692 PolarHBondContact O-N 3.02Å; I689-M693 HydrophobicContact CG2-CE 3.53Å; I689-M693 HydrophobicContact CG2-SD 4.35Å; I689-M693 WeakPolarHBondContact O-CG 3.3Å; I689-M693 PolarHBondContact O-N 3.29Å; I689-F744 HydrophobicContact CG1-CE2 4.3Å; I689-F744 HydrophobicContact CG2-CE2 3.85Å; I689-F744 HydrophobicContact CG2-CZ 3.97Å; I689-I848 HydrophobicContact CD1-CG2 4.1Å; I689-L852 HydrophobicContact CD1-CD1 3.94Å; I689-L852 HydrophobicContact CD1-CD2 3.94Å; I689-L852 HydrophobicContact CD1-CG 4.28Å; I689-L852 HydrophobicContact CG1-CD2 4.05Å
690	Q	91.1	Very high	91.7	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-44.3	176.4	-73.2	177.2	-48.3	0	0	112.1	C644 K645 E648 I686 Q687 Y692 M693 M694	C644-Q690 VanDerWaalsContact C-NE2 3.27Å; C644-Q690 HydrophobicContact CB-CG 3.83Å; C644-Q690 PolarHBondContact O-NE2 3.46Å; K645-Q690 VanDerWaalsContact N-NE2 3.14Å; E648-Q690 VanDerWaalsContact CD-OE1 3.3Å; E648-Q690 PolarHBondContact OE2-OE1 3.44Å; I686-Q690 HydrophobicContact CG2-CG 4.38Å; I686-Q690 WeakPolarHBondContact O-CG 3.38Å; I686-Q690 PolarHBondContact O-N 3.15Å; Q687-Q690 PolarHBondContact O-N 3.47Å; Q690-Y692 VanDerWaalsContact C-N 3.3Å; Q690-Y692 PolarHBondContact O-N 3.3Å; Q690-M693 HydrophobicContact CG-CE 4.48Å; Q690-M693 PolarHBondContact O-N 3.34Å; Q690-M694 WeakPolarHBondContact O-CB 3.46Å; Q690-M694 WeakPolarHBondContact O-CG 3.39Å; Q690-M694 PolarHBondContact O-N 3.42Å
691	Y	91	Very high	91.8	Very high	102 Å²	102	36.4 Å²	36.4	40%	0.4	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-39.6	177.6	-70.6	-51	0	0	0	112.1	Q687 N688 F695 R851	Q687-Y691 HydrophobicContact CB-CD2 4.39Å; Q687-Y691 HydrophobicContact CB-CE2 4.04Å; Q687-Y691 WeakPolarHBondContact O-CD2 3.39Å; Q687-Y691 VanDerWaalsContact O-CG 3.3Å; Q687-Y691 PolarHBondContact O-N 3.3Å; N688-Y691 PolarHBondContact O-N 3.43Å; Y691-F695 AromaticContact CD1-CD2 3.92Å; Y691-F695 HydrophobicContact CD1-CD2 3.92Å; Y691-F695 AromaticContact CD1-CE2 3.76Å; Y691-F695 HydrophobicContact CD1-CE2 3.76Å; Y691-F695 HydrophobicContact CE1-CE2 4.29Å; Y691-F695 WeakPolarHBondContact O-CB 3.47Å; Y691-F695 PolarHBondContact O-N 3.42Å; Y691-R851 VanDerWaalsContact CB-NH2 3.29Å
692	Y	91.2	Very high	92	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.016	17%	0.165	C	C	.	.	I	π-helix	trans	-58.5	-55.5	172.8	169	-101.2	0	0	0	111.3	N688 I689 Q690 M694 E696 V697 D732 S847 I848	N688-Y692 WeakPolarHBondContact O-CB 3.42Å; N688-Y692 PolarHBondContact O-N 3.11Å; I689-Y692 WeakPolarHBondContact O-CB 3.38Å; I689-Y692 PolarHBondContact O-N 3.02Å; Q690-Y692 VanDerWaalsContact C-N 3.3Å; Q690-Y692 PolarHBondContact O-N 3.3Å; Y692-M694 VanDerWaalsContact C-N 3.33Å; Y692-M694 PolarHBondContact O-N 2.96Å; Y692-E696 HydrophobicContact CD2-CB 3.82Å; Y692-E696 HydrophobicContact CD2-CG 4.37Å; Y692-E696 VanDerWaalsContact CD2-OE2 3.3Å; Y692-E696 WeakPolarHBondContact CD2-OE2 2.99Å; Y692-E696 HydrophobicContact CE2-CB 4.04Å; Y692-E696 WeakPolarHBondContact O-CA 3.38Å; Y692-E696 WeakPolarHBondContact O-CB 3.22Å; Y692-E696 PolarHBondContact O-N 2.92Å; Y692-V697 HydrophobicContact CD1-CG2 4.17Å; Y692-V697 HydrophobicContact CE1-CG2 3.48Å; Y692-V697 VanDerWaalsContact CE1-CG2 3.48Å; Y692-V697 HydrophobicContact CE2-CG2 3.87Å; Y692-V697 PolarHBondContact O-N 3.34Å; Y692-V697 VanDerWaalsContact O-N 3.16Å; Y692-V697 WeakPolarHBondContact OH-CG2 3.48Å; Y692-D732 WeakPolarHBondContact CE1-O 3.41Å; Y692-D732 PolarHBondContact OH-O 2.64Å; Y692-S847 VanDerWaalsContact CE2-OG 3.24Å; Y692-S847 WeakPolarHBondContact CE2-OG 3.46Å; Y692-I848 HydrophobicContact CD1-CD1 3.98Å; Y692-I848 HydrophobicContact CD1-CG1 3.7Å; Y692-I848 HydrophobicContact CD2-CG1 3.74Å; Y692-I848 HydrophobicContact CE1-CD1 3.3Å; Y692-I848 HydrophobicContact CE1-CG1 3.32Å; Y692-I848 HydrophobicContact CE2-CD1 4.23Å; Y692-I848 HydrophobicContact CE2-CG1 3.4Å; Y692-I848 HydrophobicContact CG-CG1 3.89Å; Y692-I848 VanDerWaalsContact CZ-CD1 3.45Å
693	M	91.3	Very high	92	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.189	C	C	.	.	I	π-helix	trans	-59	-43.2	-177.7	-71.2	-174.3	-67.2	0	0	112.2	H640 C644 I689 Q690 V697 M698 C733	H640-M693 PolarHBondContact CE1-SD 2.91Å; H640-M693 PolarHBondContact ND1-SD 2.67Å; C644-M693 HydrophobicContact CB-CE 4.39Å; I689-M693 HydrophobicContact CG2-CE 3.53Å; I689-M693 HydrophobicContact CG2-SD 4.35Å; I689-M693 WeakPolarHBondContact O-CG 3.3Å; I689-M693 PolarHBondContact O-N 3.29Å; Q690-M693 HydrophobicContact CG-CE 4.48Å; Q690-M693 PolarHBondContact O-N 3.34Å; M693-V697 WeakPolarHBondContact O-CB 3.41Å; M693-M698 HydrophobicContact CB-CE 4.18Å; M693-M698 WeakPolarHBondContact O-CB 3.38Å; M693-M698 WeakPolarHBondContact O-CG 3.46Å; M693-M698 PolarHBondContact O-N 3.27Å; M693-C733 HydrophobicContact CG-CB 4.49Å; M693-C733 HydrophobicContact SD-CB 4.42Å
694	M	90.8	Very high	92.1	Very high	51 Å²	51	43.5 Å²	43.5	25%	0.251	21%	0.209	S	C	.	.	I	π-helix	trans	-75.8	-50.8	-177.5	-68.7	175.8	172.4	0	0	112.9	M518 M641 Q690 Y692 E699	M518-M694 HydrophobicContact CB-CE 4.35Å; M641-M694 HydrophobicContact CE-CE 3.48Å; M641-M694 VanDerWaalsContact CE-CE 3.48Å; M641-M694 HydrophobicContact CE-CG 3.8Å; Q690-M694 WeakPolarHBondContact O-CB 3.46Å; Q690-M694 WeakPolarHBondContact O-CG 3.39Å; Q690-M694 PolarHBondContact O-N 3.42Å; Y692-M694 VanDerWaalsContact C-N 3.33Å; Y692-M694 PolarHBondContact O-N 2.96Å; M694-E699 WeakPolarHBondContact O-CB 3.38Å; M694-E699 PolarHBondContact O-N 2.77Å
695	F	90.5	Very high	92.2	Very high	131 Å²	131	40 Å²	40	58%	0.575	19%	0.191	S	C	*	.	I	π-helix	trans	-98.4	-25.9	-167.2	-66.4	-77.8	0	0	0	114.8	Y691 P700	Y691-F695 AromaticContact CD1-CD2 3.92Å; Y691-F695 HydrophobicContact CD1-CD2 3.92Å; Y691-F695 AromaticContact CD1-CE2 3.76Å; Y691-F695 HydrophobicContact CD1-CE2 3.76Å; Y691-F695 HydrophobicContact CE1-CE2 4.29Å; Y691-F695 WeakPolarHBondContact O-CB 3.47Å; Y691-F695 PolarHBondContact O-N 3.42Å; F695-P700 VanDerWaalsContact O-CD 3.28Å; F695-P700 WeakPolarHBondContact O-CD 3.43Å; F695-P700 VanDerWaalsContact O-CG 3.31Å; F695-P700 WeakPolarHBondContact O-CG 3.34Å
696	E	89.3	Confident	92.3	Very high	73 Å²	73	41.2 Å²	41.2	34%	0.341	20%	0.197	S	C	.	.	I	π-helix	trans	-98	-30.9	178.7	-66.8	-173	-163.6	0	0	112.3	Y692 P700 S847 R851	Y692-E696 HydrophobicContact CD2-CB 3.82Å; Y692-E696 HydrophobicContact CD2-CG 4.37Å; Y692-E696 VanDerWaalsContact CD2-OE2 3.3Å; Y692-E696 WeakPolarHBondContact CD2-OE2 2.99Å; Y692-E696 HydrophobicContact CE2-CB 4.04Å; Y692-E696 WeakPolarHBondContact O-CA 3.38Å; Y692-E696 WeakPolarHBondContact O-CB 3.22Å; Y692-E696 PolarHBondContact O-N 2.92Å; E696-P700 WeakPolarHBondContact O-CG 3.42Å; E696-S847 WeakPolarHBondContact OE2-CB 2.87Å; E696-S847 PolarHBondContact OE2-OG 2.73Å; E696-R851 IonicContact OE1-CZ 3.96Å; E696-R851 IonicContact OE1-NH1 2.97Å; E696-R851 PolarHBondContact OE1-NH1 2.99Å
697	V	91.3	Very high	92.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	21%	0.212	C	C	.	.	I	π-helix	trans	-99	-65.3	179.7	-178	0	0	0	0	111.9	Y692 M693 T701 D732	Y692-V697 HydrophobicContact CD1-CG2 4.17Å; Y692-V697 HydrophobicContact CE1-CG2 3.48Å; Y692-V697 VanDerWaalsContact CE1-CG2 3.48Å; Y692-V697 HydrophobicContact CE2-CG2 3.87Å; Y692-V697 PolarHBondContact O-N 3.34Å; Y692-V697 VanDerWaalsContact O-N 3.16Å; Y692-V697 WeakPolarHBondContact OH-CG2 3.48Å; M693-V697 WeakPolarHBondContact O-CB 3.41Å; V697-T701 WeakPolarHBondContact O-CB 3.08Å; V697-T701 WeakPolarHBondContact O-CG2 3.34Å; V697-T701 PolarHBondContact O-N 3.45Å; V697-T701 PolarHBondContact O-OG1 3.44Å; V697-D732 HydrophobicContact CB-CB 4.32Å; V697-D732 HydrophobicContact CG1-CB 3.56Å; V697-D732 HydrophobicContact CG2-CB 3.77Å
698	M	91.6	Very high	92.4	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.034	22%	0.216	C	C	.	.	I	π-helix	trans	-71.6	-50.5	-167.5	-68.8	168.9	-165	0	0	113.6	L517 L637 M641 M693 T701 W702	L517-M698 HydrophobicContact CB-SD 4.46Å; L517-M698 HydrophobicContact CD2-SD 4.22Å; L637-M698 HydrophobicContact CD1-CE 3.46Å; L637-M698 VanDerWaalsContact CD1-CE 3.46Å; L637-M698 HydrophobicContact CD2-CE 3.93Å; L637-M698 HydrophobicContact CG-CE 3.7Å; M641-M698 HydrophobicContact CE-CE 3.86Å; M641-M698 HydrophobicContact CE-SD 3.58Å; M641-M698 VanDerWaalsContact CE-SD 3.58Å; M641-M698 HydrophobicContact CG-CE 3.74Å; M641-M698 HydrophobicContact SD-CE 3.13Å; M641-M698 WeakPolarHBondContact SD-CE 3.46Å; M641-M698 HydrophobicContact SD-SD 3.46Å; M693-M698 HydrophobicContact CB-CE 4.18Å; M693-M698 WeakPolarHBondContact O-CB 3.38Å; M693-M698 WeakPolarHBondContact O-CG 3.46Å; M693-M698 PolarHBondContact O-N 3.27Å; M698-T701 PolarHBondContact O-N 2.98Å; M698-T701 PolarHBondContact O-OG1 3.12Å; M698-T701 VanDerWaalsContact O-OG1 3.05Å; M698-W702 WeakPolarHBondContact O-CB 3.43Å; M698-W702 PolarHBondContact O-N 2.58Å
699	E	93.5	Very high	92.3	Very high	81 Å²	81	44 Å²	44	38%	0.379	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-43.7	-176.3	-166.2	60.7	-148.8	0	0	112.9	K513 M694 W702 H703	K513-E699 WeakPolarHBondContact CE-OE2 3.07Å; K513-E699 IonicContact NZ-OE1 2.66Å; K513-E699 PolarHBondContact NZ-OE1 3.35Å; K513-E699 IonicContact NZ-OE2 3.61Å; K513-E699 PolarHBondContact NZ-OE2 2.88Å; M694-E699 WeakPolarHBondContact O-CB 3.38Å; M694-E699 PolarHBondContact O-N 2.77Å; E699-W702 PolarHBondContact O-N 2.95Å; E699-H703 WeakPolarHBondContact O-CB 3.31Å; E699-H703 PolarHBondContact O-N 2.87Å
700	P	93.4	Very high	92.2	Very high	55 Å²	55	50.6 Å²	50.6	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-43.9	177.5	-24.8	38.4	0	0	0	112.8	F695 E696 W702 H703 I704	F695-P700 VanDerWaalsContact O-CD 3.28Å; F695-P700 WeakPolarHBondContact O-CD 3.43Å; F695-P700 VanDerWaalsContact O-CG 3.31Å; F695-P700 WeakPolarHBondContact O-CG 3.34Å; E696-P700 WeakPolarHBondContact O-CG 3.42Å; P700-W702 VanDerWaalsContact C-N 3.35Å; P700-H703 PolarHBondContact O-N 3.5Å; P700-I704 WeakPolarHBondContact O-CG1 3.37Å; P700-I704 PolarHBondContact O-N 3.44Å
701	T	92.9	Very high	92.1	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-36.3	178.9	55.6	0	0	0	0	111.8	V697 M698 I704 M705 F725 N728 C729	V697-T701 WeakPolarHBondContact O-CB 3.08Å; V697-T701 WeakPolarHBondContact O-CG2 3.34Å; V697-T701 PolarHBondContact O-N 3.45Å; V697-T701 PolarHBondContact O-OG1 3.44Å; M698-T701 PolarHBondContact O-N 2.98Å; M698-T701 PolarHBondContact O-OG1 3.12Å; M698-T701 VanDerWaalsContact O-OG1 3.05Å; T701-I704 PolarHBondContact O-N 3.1Å; T701-M705 PolarHBondContact O-N 3.38Å; T701-F725 WeakPolarHBondContact OG1-CE2 3.45Å; T701-N728 HydrophobicContact CG2-CB 4.42Å; T701-C729 PolarHBondContact OG1-SG 2.93Å
702	W	95.3	Very high	92	Very high	7 Å²	7	51 Å²	51	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-47	171.8	179.2	-88.9	0	0	0	111.6	L509 R510 K513 L517 M698 E699 P700 I704 M705 E706 F725	L509-W702 HydrophobicContact CB-CH2 3.98Å; L509-W702 VanDerWaalsContact O-CH2 3.28Å; L509-W702 WeakPolarHBondContact O-CH2 3.28Å; R510-W702 HydrophobicContact CG-CZ2 4.08Å; K513-W702 HydrophobicContact CB-CE3 4.24Å; K513-W702 HydrophobicContact CB-CH2 3.75Å; K513-W702 HydrophobicContact CB-CZ2 4.08Å; K513-W702 HydrophobicContact CB-CZ3 3.83Å; K513-W702 HydrophobicContact CD-CD2 3.56Å; K513-W702 VanDerWaalsContact CD-CE2 3.49Å; K513-W702 HydrophobicContact CD-CE3 4.02Å; K513-W702 HydrophobicContact CD-CG 3.89Å; K513-W702 HydrophobicContact CD-CH2 4.33Å; K513-W702 HydrophobicContact CD-CZ2 3.91Å; K513-W702 HydrophobicContact CD-CZ3 4.38Å; K513-W702 VanDerWaalsContact NZ-CD1 3.31Å; L517-W702 HydrophobicContact CD1-CE3 4.16Å; L517-W702 HydrophobicContact CD1-CZ3 4.5Å; M698-W702 WeakPolarHBondContact O-CB 3.43Å; M698-W702 PolarHBondContact O-N 2.58Å; E699-W702 PolarHBondContact O-N 2.95Å; P700-W702 VanDerWaalsContact C-N 3.35Å; W702-I704 VanDerWaalsContact C-N 3.31Å; W702-I704 PolarHBondContact O-N 3.27Å; W702-M705 HydrophobicContact CD2-CE 4.03Å; W702-M705 HydrophobicContact CE3-CE 3.5Å; W702-M705 HydrophobicContact CH2-CE 3.72Å; W702-M705 HydrophobicContact CZ2-CE 4.22Å; W702-M705 HydrophobicContact CZ3-CE 3.34Å; W702-M705 WeakPolarHBondContact O-CB 3.39Å; W702-M705 PolarHBondContact O-N 3.28Å; W702-M705 VanDerWaalsContact O-N 3.16Å; W702-E706 PolarHBondContact NE1-OE2 3.5Å; W702-E706 WeakPolarHBondContact O-CB 3.45Å; W702-E706 PolarHBondContact O-N 3.35Å; W702-F725 HydrophobicContact CB-CE2 4.15Å; W702-F725 HydrophobicContact CE3-CE1 4.26Å; W702-F725 HydrophobicContact CE3-CE2 4.17Å; W702-F725 AromaticContact CE3-CZ 3.81Å; W702-F725 HydrophobicContact CE3-CZ 3.81Å; W702-F725 HydrophobicContact CZ3-CE1 4.48Å; W702-F725 HydrophobicContact CZ3-CZ 4.42Å
703	H	94.8	Very high	91.7	Very high	109 Å²	109	54.3 Å²	54.3	51%	0.505	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-38.1	179.2	-177	-97.7	0	0	0	112.2	E699 P700 N707	E699-H703 WeakPolarHBondContact O-CB 3.31Å; E699-H703 PolarHBondContact O-N 2.87Å; P700-H703 PolarHBondContact O-N 3.5Å; H703-N707 PolarHBondContact CE1-ND2 3.26Å; H703-N707 PolarHBondContact ND1-ND2 3.12Å; H703-N707 PolarHBondContact NE2-ND2 2.93Å; H703-N707 PolarHBondContact O-N 2.87Å; H703-N707 VanDerWaalsContact O-N 3.09Å; H703-N707 PolarHBondContact O-ND2 3.09Å; H703-N707 VanDerWaalsContact O-ND2 3.15Å
704	I	94.4	Very high	91.4	Very high	97 Å²	97	55.3 Å²	55.3	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-48.6	172.4	-67.5	165.2	0	0	0	110.1	P700 T701 W702 N707 N708	P700-I704 WeakPolarHBondContact O-CG1 3.37Å; P700-I704 PolarHBondContact O-N 3.44Å; T701-I704 PolarHBondContact O-N 3.1Å; W702-I704 VanDerWaalsContact C-N 3.31Å; W702-I704 PolarHBondContact O-N 3.27Å; I704-N707 PolarHBondContact O-N 3.47Å; I704-N708 WeakPolarHBondContact CG2-ND2 3.32Å; I704-N708 WeakPolarHBondContact O-CB 3.4Å; I704-N708 PolarHBondContact O-N 3.19Å; I704-N708 PolarHBondContact O-ND2 3Å
705	M	94.7	Very high	91.1	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-48.8	178.2	-172.7	-171.2	66.2	0	0	111.4	T701 W702 N707 N708 L709 F725	T701-M705 PolarHBondContact O-N 3.38Å; W702-M705 HydrophobicContact CD2-CE 4.03Å; W702-M705 HydrophobicContact CE3-CE 3.5Å; W702-M705 HydrophobicContact CH2-CE 3.72Å; W702-M705 HydrophobicContact CZ2-CE 4.22Å; W702-M705 HydrophobicContact CZ3-CE 3.34Å; W702-M705 WeakPolarHBondContact O-CB 3.39Å; W702-M705 PolarHBondContact O-N 3.28Å; W702-M705 VanDerWaalsContact O-N 3.16Å; M705-N707 VanDerWaalsContact C-N 3.29Å; M705-N707 PolarHBondContact O-N 2.9Å; M705-N708 PolarHBondContact O-N 3.34Å; M705-N708 VanDerWaalsContact O-N 3.17Å; M705-L709 HydrophobicContact CE-CD1 4.21Å; M705-L709 HydrophobicContact CG-CD1 3.93Å; M705-L709 HydrophobicContact CG-CG 4.14Å; M705-L709 WeakPolarHBondContact O-CB 3.46Å; M705-L709 VanDerWaalsContact O-CG 3.23Å; M705-L709 WeakPolarHBondContact O-CG 3.49Å; M705-L709 PolarHBondContact O-N 3.43Å; M705-L709 HydrophobicContact SD-CD1 4.35Å; M705-F725 HydrophobicContact CB-CB 4.06Å; M705-F725 HydrophobicContact CB-CD2 4.31Å; M705-F725 HydrophobicContact CB-CG 4.25Å; M705-F725 HydrophobicContact CE-CD1 4.3Å; M705-F725 HydrophobicContact CE-CG 4.44Å; M705-F725 HydrophobicContact CG-CB 4.04Å; M705-F725 HydrophobicContact CG-CG 4.38Å; M705-F725 HydrophobicContact SD-CB 3.64Å; M705-F725 HydrophobicContact SD-CD1 3.6Å; M705-F725 HydrophobicContact SD-CD2 4.35Å; M705-F725 HydrophobicContact SD-CE1 4.42Å; M705-F725 HydrophobicContact SD-CG 3.58Å; M705-F725 VanDerWaalsContact SD-CG 3.58Å
706	E	93.7	Very high	90.8	Very high	34 Å²	34	49.4 Å²	49.4	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-35.2	-177.9	-174.8	168.4	178.4	0	0	112.5	R510 W702 K710	R510-E706 IonicContact CZ-OE1 2.91Å; R510-E706 IonicContact NE-OE1 3.1Å; R510-E706 IonicContact NH2-OE1 2.96Å; R510-E706 PolarHBondContact NH2-OE1 3.19Å; W702-E706 PolarHBondContact NE1-OE2 3.5Å; W702-E706 WeakPolarHBondContact O-CB 3.45Å; W702-E706 PolarHBondContact O-N 3.35Å; E706-K710 WeakPolarHBondContact O-CG 3.36Å; E706-K710 PolarHBondContact O-N 2.94Å
707	N	93.7	Very high	90.7	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-72.4	-42.3	174	-71.3	-30.3	0	0	0	112.1	H703 I704 M705 L709 K710 T711	H703-N707 PolarHBondContact CE1-ND2 3.26Å; H703-N707 PolarHBondContact ND1-ND2 3.12Å; H703-N707 PolarHBondContact NE2-ND2 2.93Å; H703-N707 PolarHBondContact O-N 2.87Å; H703-N707 VanDerWaalsContact O-N 3.09Å; H703-N707 PolarHBondContact O-ND2 3.09Å; H703-N707 VanDerWaalsContact O-ND2 3.15Å; I704-N707 PolarHBondContact O-N 3.47Å; M705-N707 VanDerWaalsContact C-N 3.29Å; M705-N707 PolarHBondContact O-N 2.9Å; N707-L709 VanDerWaalsContact C-N 3.32Å; N707-L709 PolarHBondContact O-N 3.33Å; N707-K710 WeakPolarHBondContact O-CB 3.44Å; N707-K710 PolarHBondContact O-N 3.33Å; N707-T711 PolarHBondContact O-N 3.26Å; N707-T711 PolarHBondContact O-OG1 3.08Å
708	N	93.1	Very high	90.7	Very high	55 Å²	55	48.3 Å²	48.3	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-37.2	177.8	-68.6	-13.8	0	0	0	111.9	I704 M705 K710 T711 A712 H721	I704-N708 WeakPolarHBondContact CG2-ND2 3.32Å; I704-N708 WeakPolarHBondContact O-CB 3.4Å; I704-N708 PolarHBondContact O-N 3.19Å; I704-N708 PolarHBondContact O-ND2 3Å; M705-N708 PolarHBondContact O-N 3.34Å; M705-N708 VanDerWaalsContact O-N 3.17Å; N708-K710 VanDerWaalsContact C-N 3.27Å; N708-K710 PolarHBondContact O-N 2.89Å; N708-T711 WeakPolarHBondContact CA-OG1 2.95Å; N708-T711 CarbonylContact O-C 3.51Å; N708-T711 PolarHBondContact O-N 3.08Å; N708-T711 VanDerWaalsContact O-N 3.13Å; N708-T711 PolarHBondContact O-OG1 3.26Å; N708-A712 PolarHBondContact O-N 2.84Å; N708-H721 HydrophobicContact CB-CB 4.44Å
709	L	90.8	Very high	90.5	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-31.1	175.9	-73.2	176.8	0	0	0	112.7	L509 M705 N707 V718	L509-L709 HydrophobicContact CD1-CD1 3.83Å; M705-L709 HydrophobicContact CE-CD1 4.21Å; M705-L709 HydrophobicContact CG-CD1 3.93Å; M705-L709 HydrophobicContact CG-CG 4.14Å; M705-L709 WeakPolarHBondContact O-CB 3.46Å; M705-L709 VanDerWaalsContact O-CG 3.23Å; M705-L709 WeakPolarHBondContact O-CG 3.49Å; M705-L709 PolarHBondContact O-N 3.43Å; M705-L709 HydrophobicContact SD-CD1 4.35Å; N707-L709 VanDerWaalsContact C-N 3.32Å; N707-L709 PolarHBondContact O-N 3.33Å; L709-V718 HydrophobicContact CD2-CB 4.06Å; L709-V718 HydrophobicContact CD2-CG1 3.68Å; L709-V718 HydrophobicContact CD2-CG2 3.96Å
710	K	88.7	Confident	90.3	Very high	141 Å²	141	50.4 Å²	50.4	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-72.6	-28.9	174.6	-69.2	168	-171.5	165	0	112.8	E706 N707 N708	E706-K710 WeakPolarHBondContact O-CG 3.36Å; E706-K710 PolarHBondContact O-N 2.94Å; N707-K710 WeakPolarHBondContact O-CB 3.44Å; N707-K710 PolarHBondContact O-N 3.33Å; N708-K710 VanDerWaalsContact C-N 3.27Å; N708-K710 PolarHBondContact O-N 2.89Å
711	T	88.9	Confident	90.3	Very high	107 Å²	107	50.3 Å²	50.3	66%	0.656	27%	0.272	S	S	*	.	H	α-helix	trans	-94.9	-6.6	179.9	54.5	0	0	0	0	113.6	N707 N708 S713	N707-T711 PolarHBondContact O-N 3.26Å; N707-T711 PolarHBondContact O-OG1 3.08Å; N708-T711 WeakPolarHBondContact CA-OG1 2.95Å; N708-T711 CarbonylContact O-C 3.51Å; N708-T711 PolarHBondContact O-N 3.08Å; N708-T711 VanDerWaalsContact O-N 3.13Å; N708-T711 PolarHBondContact O-OG1 3.26Å; T711-S713 PolarHBondContact O-N 2.92Å
712	A	88.8	Confident	90.4	Very high	15 Å²	15	49.5 Å²	49.5	12%	0.124	27%	0.266	C	S	.	.			trans	-61.8	131.8	-177.4	0	0	0	0	0	110.6	L496 N708 D717 V718	L496-A712 WeakPolarHBondContact CD2-O 3.22Å; N708-A712 PolarHBondContact O-N 2.84Å; A712-D717 HydrophobicContact CB-CB 4.08Å; A712-V718 HydrophobicContact CB-CG2 3.75Å
713	S	84.2	Confident	90.2	Very high	73 Å²	73	51.7 Å²	51.7	51%	0.51	28%	0.281	S	S	.	.			trans	-96.3	-29.2	-180	66	0	0	0	0	112.1	L496 T711 D717	L496-S713 WeakPolarHBondContact CD2-O 3.44Å; T711-S713 PolarHBondContact O-N 2.92Å; S713-D717 PolarHBondContact N-OD2 3.5Å; S713-D717 PolarHBondContact OG-OD2 2.88Å
714	N	84.8	Confident	90.2	Very high	24 Å²	24	49.1 Å²	49.1	13%	0.128	28%	0.275	C	S	.	.	S	Bend	trans	-126.4	156.7	-174.3	-70.7	-22	0	0	0	112	S492 D716 D717 V718	S492-N714 WeakPolarHBondContact OG-CA 3.45Å; S492-N714 WeakPolarHBondContact OG-CB 3.37Å; S492-N714 VanDerWaalsContact OG-CG 3.27Å; S492-N714 PolarHBondContact OG-OD1 2.83Å; N714-D716 PolarHBondContact O-N 3.04Å; N714-D717 PolarHBondContact N-OD2 2.98Å; N714-D717 VanDerWaalsContact N-OD2 3.14Å; N714-D717 WeakPolarHBondContact O-CB 3.46Å; N714-D717 PolarHBondContact O-N 3.43Å; N714-V718 PolarHBondContact O-N 3.39Å
715	I	85.6	Confident	90.2	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-32.2	173.1	-172.6	58.7	0	0	0	112.3	Y452 S492 L495 L499 I625 D717 V718 L719	Y452-I715 HydrophobicContact CD1-CG2 4.17Å; Y452-I715 HydrophobicContact CD2-CG2 3.98Å; Y452-I715 HydrophobicContact CE1-CG2 3.69Å; Y452-I715 HydrophobicContact CE2-CG2 3.45Å; Y452-I715 VanDerWaalsContact CE2-CG2 3.45Å; Y452-I715 HydrophobicContact CG-CG2 4.34Å; S492-I715 PolarHBondContact OG-N 3.11Å; L495-I715 HydrophobicContact CD2-CB 4.45Å; L495-I715 HydrophobicContact CD2-CG1 4.17Å; L495-I715 HydrophobicContact CD2-CG2 4.36Å; L499-I715 HydrophobicContact CD1-CD1 3.63Å; I625-I715 HydrophobicContact CD1-CD1 3.69Å; I625-I715 HydrophobicContact CG1-CD1 3.92Å; I715-D717 VanDerWaalsContact C-N 3.33Å; I715-D717 PolarHBondContact O-N 3.3Å; I715-V718 HydrophobicContact CD1-CB 4.49Å; I715-V718 WeakPolarHBondContact O-CB 3.49Å; I715-V718 PolarHBondContact O-N 2.94Å; I715-L719 PolarHBondContact O-N 2.99Å
716	D	83.4	Confident	90.1	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-69.3	-33.5	178.3	-64.7	-20.1	0	0	0	111.7	Y452 Y488 N714 V718 L719 C720	Y452-D716 PolarHBondContact OH-OD1 3.46Å; Y452-D716 PolarHBondContact OH-OD2 3.17Å; Y488-D716 PolarHBondContact OH-OD2 2.96Å; N714-D716 PolarHBondContact O-N 3.04Å; D716-V718 VanDerWaalsContact C-N 3.34Å; D716-L719 PolarHBondContact O-N 3.44Å; D716-C720 VanDerWaalsContact O-CB 3.29Å; D716-C720 WeakPolarHBondContact O-CB 3.42Å; D716-C720 PolarHBondContact O-N 3.23Å
717	D	88.1	Confident	90	Very high	52 Å²	52	45.8 Å²	45.8	28%	0.278	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-44.4	172.9	-57.9	-24.6	0	0	0	109.6	A712 S713 N714 I715 L719 C720 H721	A712-D717 HydrophobicContact CB-CB 4.08Å; S713-D717 PolarHBondContact N-OD2 3.5Å; S713-D717 PolarHBondContact OG-OD2 2.88Å; N714-D717 PolarHBondContact N-OD2 2.98Å; N714-D717 VanDerWaalsContact N-OD2 3.14Å; N714-D717 WeakPolarHBondContact O-CB 3.46Å; N714-D717 PolarHBondContact O-N 3.43Å; I715-D717 VanDerWaalsContact C-N 3.33Å; I715-D717 PolarHBondContact O-N 3.3Å; D717-L719 PolarHBondContact O-N 2.94Å; D717-C720 PolarHBondContact O-N 3.43Å; D717-H721 WeakPolarHBondContact O-CB 3.29Å; D717-H721 PolarHBondContact O-CD2 3.47Å; D717-H721 PolarHBondContact O-N 3.16Å
718	V	90.5	Very high	89.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-47.5	177	170.4	0	0	0	0	111.3	L496 M500 L505 I625 L709 A712 N714 I715 D716 C720 H721 H722	L496-V718 HydrophobicContact CD1-CG2 3.61Å; M500-V718 HydrophobicContact CE-CG1 4.44Å; M500-V718 HydrophobicContact CE-CG2 3.69Å; L505-V718 HydrophobicContact CD2-CG1 4.02Å; I625-V718 HydrophobicContact CD1-CG1 4.19Å; I625-V718 HydrophobicContact CG2-CG1 4.24Å; L709-V718 HydrophobicContact CD2-CB 4.06Å; L709-V718 HydrophobicContact CD2-CG1 3.68Å; L709-V718 HydrophobicContact CD2-CG2 3.96Å; A712-V718 HydrophobicContact CB-CG2 3.75Å; N714-V718 PolarHBondContact O-N 3.39Å; I715-V718 HydrophobicContact CD1-CB 4.49Å; I715-V718 WeakPolarHBondContact O-CB 3.49Å; I715-V718 PolarHBondContact O-N 2.94Å; D716-V718 VanDerWaalsContact C-N 3.34Å; V718-C720 PolarHBondContact O-N 3.33Å; V718-H721 PolarHBondContact O-N 3.31Å; V718-H722 VanDerWaalsContact O-CB 3.3Å; V718-H722 WeakPolarHBondContact O-CB 3.47Å; V718-H722 PolarHBondContact O-N 2.9Å
719	L	87.4	Confident	89.7	Confident	50 Å²	50	43.5 Å²	43.5	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-44.2	176.7	-76	169.9	0	0	0	111.8	I625 I715 D716 D717 T723	I625-L719 HydrophobicContact CB-CD2 4.27Å; I625-L719 HydrophobicContact CG1-CD2 4.2Å; I625-L719 HydrophobicContact CG2-CD2 4.26Å; I715-L719 PolarHBondContact O-N 2.99Å; D716-L719 PolarHBondContact O-N 3.44Å; D717-L719 PolarHBondContact O-N 2.94Å; L719-T723 VanDerWaalsContact O-CB 3.28Å; L719-T723 WeakPolarHBondContact O-CB 3.38Å; L719-T723 PolarHBondContact O-N 3.36Å; L719-T723 PolarHBondContact O-OG1 3.31Å
720	C	90.3	Very high	89.6	Confident	81 Å²	81	43.7 Å²	43.7	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-48.8	178.4	-174.2	0	0	0	0	111.5	D716 D717 V718 H722 T723 S724	D716-C720 VanDerWaalsContact O-CB 3.29Å; D716-C720 WeakPolarHBondContact O-CB 3.42Å; D716-C720 PolarHBondContact O-N 3.23Å; D717-C720 PolarHBondContact O-N 3.43Å; V718-C720 PolarHBondContact O-N 3.33Å; C720-H722 PolarHBondContact O-N 2.99Å; C720-T723 PolarHBondContact O-N 2.98Å; C720-S724 VanDerWaalsContact O-CB 3.3Å; C720-S724 WeakPolarHBondContact O-CB 3.39Å; C720-S724 PolarHBondContact O-N 3.04Å
721	H	93.3	Very high	89.5	Confident	53 Å²	53	40.3 Å²	40.3	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-42.8	179	-67.3	-42.6	0	0	0	112.5	N708 D717 V718 F725	N708-H721 HydrophobicContact CB-CB 4.44Å; D717-H721 WeakPolarHBondContact O-CB 3.29Å; D717-H721 PolarHBondContact O-CD2 3.47Å; D717-H721 PolarHBondContact O-N 3.16Å; V718-H721 PolarHBondContact O-N 3.31Å; H721-F725 WeakPolarHBondContact O-CB 3.39Å; H721-F725 PolarHBondContact O-N 2.97Å
722	H	93.6	Very high	89.4	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-41.9	176.6	178.6	-119.2	0	0	0	112.3	Y634 V718 C720 F725 L726	Y634-H722 AromaticContact CE2-CE1 3.99Å; Y634-H722 AromaticContact CE2-NE2 3.42Å; Y634-H722 WeakPolarHBondContact CE2-NE2 3.49Å; Y634-H722 AromaticContact CZ-NE2 3.59Å; Y634-H722 PolarHBondContact OH-CD2 3.24Å; Y634-H722 PolarHBondContact OH-NE2 3.22Å; V718-H722 VanDerWaalsContact O-CB 3.3Å; V718-H722 WeakPolarHBondContact O-CB 3.47Å; V718-H722 PolarHBondContact O-N 2.9Å; C720-H722 PolarHBondContact O-N 2.99Å; H722-F725 PolarHBondContact O-N 3.41Å; H722-L726 PolarHBondContact O-N 3.46Å; H722-L726 VanDerWaalsContact O-N 3.16Å
723	T	92.1	Very high	89.3	Confident	53 Å²	53	35.6 Å²	35.6	33%	0.325	20%	0.202	S	C	.	.	H	α-helix	trans	-66	-44.9	177.6	-56.7	0	0	0	0	111	L719 C720 F725 L726 D727	L719-T723 VanDerWaalsContact O-CB 3.28Å; L719-T723 WeakPolarHBondContact O-CB 3.38Å; L719-T723 PolarHBondContact O-N 3.36Å; L719-T723 PolarHBondContact O-OG1 3.31Å; C720-T723 PolarHBondContact O-N 2.98Å; T723-F725 VanDerWaalsContact C-N 3.33Å; T723-F725 PolarHBondContact O-N 3.03Å; T723-L726 PolarHBondContact O-N 3.46Å; T723-D727 WeakPolarHBondContact O-CB 3.46Å; T723-D727 VanDerWaalsContact O-CG 3.29Å; T723-D727 PolarHBondContact O-N 3Å
724	S	93.6	Very high	89.3	Confident	55 Å²	55	32.3 Å²	32.3	39%	0.385	18%	0.179	S	C	.	.	H	α-helix	trans	-61.9	-39.8	177	178.2	0	0	0	0	112.2	C720 D727 N728	C720-S724 VanDerWaalsContact O-CB 3.3Å; C720-S724 WeakPolarHBondContact O-CB 3.39Å; C720-S724 PolarHBondContact O-N 3.04Å; S724-D727 PolarHBondContact O-N 2.9Å; S724-N728 WeakPolarHBondContact O-CB 3.41Å; S724-N728 PolarHBondContact O-N 3.3Å; S724-N728 PolarHBondContact O-ND2 3.02Å
725	F	94.6	Very high	89.2	Confident	5 Å²	5	31.2 Å²	31.2	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-50.8	173.6	160.3	-102.5	0	0	0	111.9	L517 Y634 T701 W702 M705 H721 H722 T723 N728 C729	L517-F725 HydrophobicContact CD1-CZ 3.89Å; Y634-F725 AromaticContact CE1-CE1 3.87Å; Y634-F725 HydrophobicContact CE1-CE1 3.87Å; Y634-F725 WeakPolarHBondContact OH-CE1 3.47Å; T701-F725 WeakPolarHBondContact OG1-CE2 3.45Å; W702-F725 HydrophobicContact CB-CE2 4.15Å; W702-F725 HydrophobicContact CE3-CE1 4.26Å; W702-F725 HydrophobicContact CE3-CE2 4.17Å; W702-F725 AromaticContact CE3-CZ 3.81Å; W702-F725 HydrophobicContact CE3-CZ 3.81Å; W702-F725 HydrophobicContact CZ3-CE1 4.48Å; W702-F725 HydrophobicContact CZ3-CZ 4.42Å; M705-F725 HydrophobicContact CB-CB 4.06Å; M705-F725 HydrophobicContact CB-CD2 4.31Å; M705-F725 HydrophobicContact CB-CG 4.25Å; M705-F725 HydrophobicContact CE-CD1 4.3Å; M705-F725 HydrophobicContact CE-CG 4.44Å; M705-F725 HydrophobicContact CG-CB 4.04Å; M705-F725 HydrophobicContact CG-CG 4.38Å; M705-F725 HydrophobicContact SD-CB 3.64Å; M705-F725 HydrophobicContact SD-CD1 3.6Å; M705-F725 HydrophobicContact SD-CD2 4.35Å; M705-F725 HydrophobicContact SD-CE1 4.42Å; M705-F725 HydrophobicContact SD-CG 3.58Å; M705-F725 VanDerWaalsContact SD-CG 3.58Å; H721-F725 WeakPolarHBondContact O-CB 3.39Å; H721-F725 PolarHBondContact O-N 2.97Å; H722-F725 PolarHBondContact O-N 3.41Å; T723-F725 VanDerWaalsContact C-N 3.33Å; T723-F725 PolarHBondContact O-N 3.03Å; F725-N728 PolarHBondContact O-N 3.42Å; F725-C729 WeakPolarHBondContact CE2-SG 3.24Å; F725-C729 PolarHBondContact O-N 3.26Å; F725-C729 PolarHBondContact O-SG 3.31Å
726	L	93.2	Very high	89.1	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-44.5	179.7	-80.1	173.6	0	0	0	112.4	A630 R633 Y634 H722 T723 C729 L730	A630-L726 HydrophobicContact CB-CD1 3.67Å; R633-L726 HydrophobicContact CB-CD1 4.38Å; R633-L726 HydrophobicContact CB-CD2 4.3Å; Y634-L726 HydrophobicContact CD1-CD2 3.77Å; Y634-L726 HydrophobicContact CD2-CD1 4.25Å; Y634-L726 HydrophobicContact CD2-CD2 3.94Å; Y634-L726 HydrophobicContact CE1-CD2 3.58Å; Y634-L726 HydrophobicContact CE2-CD1 3.82Å; Y634-L726 HydrophobicContact CE2-CD2 3.75Å; Y634-L726 HydrophobicContact CE2-CG 4.16Å; Y634-L726 HydrophobicContact CG-CD2 3.94Å; H722-L726 PolarHBondContact O-N 3.46Å; H722-L726 VanDerWaalsContact O-N 3.16Å; T723-L726 PolarHBondContact O-N 3.46Å; L726-C729 PolarHBondContact O-N 3.47Å; L726-L730 WeakPolarHBondContact O-CG 3.44Å; L726-L730 PolarHBondContact O-N 3.05Å
727	D	90.6	Very high	89	Confident	60 Å²	60	32.8 Å²	32.8	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-41.5	-178.9	-69.8	-18.4	0	0	0	111	R633 T723 S724 K731	R633-D727 IonicContact CZ-OD1 3.25Å; R633-D727 IonicContact NE-OD1 3.57Å; R633-D727 IonicContact NH1-OD1 3.8Å; R633-D727 PolarHBondContact NH1-OD1 2.94Å; R633-D727 IonicContact NH1-OD2 2.64Å; R633-D727 IonicContact NH2-OD1 3.99Å; R633-D727 PolarHBondContact NH2-OD1 3.45Å; T723-D727 WeakPolarHBondContact O-CB 3.46Å; T723-D727 VanDerWaalsContact O-CG 3.29Å; T723-D727 PolarHBondContact O-N 3Å; S724-D727 PolarHBondContact O-N 2.9Å; D727-K731 WeakPolarHBondContact O-CB 3.46Å; D727-K731 PolarHBondContact O-N 3.25Å
728	N	90.6	Very high	88.6	Confident	68 Å²	68	33 Å²	33	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-45.7	174.3	-68.6	-15.5	0	0	0	111.4	T701 S724 F725 L730 K731 D732	T701-N728 HydrophobicContact CG2-CB 4.42Å; S724-N728 WeakPolarHBondContact O-CB 3.41Å; S724-N728 PolarHBondContact O-N 3.3Å; S724-N728 PolarHBondContact O-ND2 3.02Å; F725-N728 PolarHBondContact O-N 3.42Å; N728-L730 PolarHBondContact O-N 3.34Å; N728-K731 PolarHBondContact O-N 2.97Å; N728-D732 WeakPolarHBondContact O-CB 3.49Å; N728-D732 PolarHBondContact O-N 3.05Å
729	C	91.4	Very high	88.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-45.7	178.3	-71.8	0	0	0	0	112.6	L637 T701 F725 L726 K731 C733	L637-C729 HydrophobicContact CD2-CB 3.98Å; T701-C729 PolarHBondContact OG1-SG 2.93Å; F725-C729 WeakPolarHBondContact CE2-SG 3.24Å; F725-C729 PolarHBondContact O-N 3.26Å; F725-C729 PolarHBondContact O-SG 3.31Å; L726-C729 PolarHBondContact O-N 3.47Å; C729-K731 VanDerWaalsContact C-N 3.32Å; C729-K731 PolarHBondContact O-N 3.32Å; C729-C733 WeakPolarHBondContact O-CB 3.42Å; C729-C733 PolarHBondContact O-N 3.43Å; C729-C733 PolarHBondContact O-SG 3.02Å
730	L	88.9	Confident	88	Confident	18 Å²	18	36.1 Å²	36.1	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-41.4	178.8	-74.1	174.7	0	0	0	111.8	R633 M636 L726 N728 L735	R633-L730 HydrophobicContact CB-CD1 3.84Å; R633-L730 HydrophobicContact CG-CD1 3.72Å; M636-L730 HydrophobicContact CB-CD2 4.35Å; L726-L730 WeakPolarHBondContact O-CG 3.44Å; L726-L730 PolarHBondContact O-N 3.05Å; N728-L730 PolarHBondContact O-N 3.34Å; L730-L735 HydrophobicContact CD2-CB 4.29Å; L730-L735 HydrophobicContact CD2-CD1 3.63Å; L730-L735 WeakPolarHBondContact O-CB 3.48Å; L730-L735 PolarHBondContact O-N 3.34Å; L730-L735 VanDerWaalsContact O-N 3.08Å
731	K	86	Confident	87.6	Confident	70 Å²	70	32.6 Å²	32.6	30%	0.304	18%	0.176	S	C	.	.	H	α-helix	trans	-66.4	-54.6	-179.4	-174.9	177.4	176.3	-177.4	0	111.7	D727 N728 C729 C733 M734 T736 E842 M845	D727-K731 WeakPolarHBondContact O-CB 3.46Å; D727-K731 PolarHBondContact O-N 3.25Å; N728-K731 PolarHBondContact O-N 2.97Å; C729-K731 VanDerWaalsContact C-N 3.32Å; C729-K731 PolarHBondContact O-N 3.32Å; K731-C733 PolarHBondContact O-N 3.44Å; K731-M734 PolarHBondContact O-N 3.22Å; K731-M734 VanDerWaalsContact O-N 3.12Å; K731-T736 HydrophobicContact CB-CG2 4Å; K731-T736 HydrophobicContact CG-CG2 4.44Å; K731-E842 WeakPolarHBondContact CE-OE1 2.97Å; K731-E842 WeakPolarHBondContact CE-OE2 3.38Å; K731-E842 VanDerWaalsContact NZ-CD 3.25Å; K731-E842 IonicContact NZ-OE1 3.75Å; K731-E842 PolarHBondContact NZ-OE1 3.33Å; K731-E842 IonicContact NZ-OE2 3.81Å; K731-M845 HydrophobicContact CG-CE 4.41Å; K731-M845 WeakPolarHBondContact O-CE 3.47Å
732	D	86.1	Confident	87.2	Confident	24 Å²	24	36.8 Å²	36.8	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-22.4	-178.3	-69.6	-35.8	0	0	0	112.3	Y692 V697 N728 M734 S844	Y692-D732 WeakPolarHBondContact CE1-O 3.41Å; Y692-D732 PolarHBondContact OH-O 2.64Å; V697-D732 HydrophobicContact CB-CB 4.32Å; V697-D732 HydrophobicContact CG1-CB 3.56Å; V697-D732 HydrophobicContact CG2-CB 3.77Å; N728-D732 WeakPolarHBondContact O-CB 3.49Å; N728-D732 PolarHBondContact O-N 3.05Å; D732-M734 VanDerWaalsContact C-N 3.25Å; D732-M734 PolarHBondContact O-N 2.93Å; D732-S844 WeakPolarHBondContact OD1-CB 3.2Å; D732-S844 PolarHBondContact OD1-OG 2.95Å
733	C	87.2	Confident	86.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	13.7	172.4	-66.6	0	0	0	0	114.8	L637 M693 C729 K731 L735	L637-C733 HydrophobicContact CD1-CB 4.04Å; M693-C733 HydrophobicContact CG-CB 4.49Å; M693-C733 HydrophobicContact SD-CB 4.42Å; C729-C733 WeakPolarHBondContact O-CB 3.42Å; C729-C733 PolarHBondContact O-N 3.43Å; C729-C733 PolarHBondContact O-SG 3.02Å; K731-C733 PolarHBondContact O-N 3.44Å; C733-L735 HydrophobicContact CB-CD1 4.43Å; C733-L735 HydrophobicContact CB-CG 4.49Å; C733-L735 PolarHBondContact O-N 3.48Å
734	M	83.9	Confident	86.8	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	15.7	179	-54.7	157.5	-84.4	0	0	114.7	K731 D732 L833 I848	K731-M734 PolarHBondContact O-N 3.22Å; K731-M734 VanDerWaalsContact O-N 3.12Å; D732-M734 VanDerWaalsContact C-N 3.25Å; D732-M734 PolarHBondContact O-N 2.93Å; M734-L833 HydrophobicContact CG-CD2 4.49Å; M734-L833 HydrophobicContact SD-CD2 4.44Å; M734-I848 HydrophobicContact CE-CD1 4.15Å; M734-I848 HydrophobicContact CG-CD1 4.32Å; M734-I848 HydrophobicContact SD-CD1 4.1Å
735	L	83.4	Confident	86.5	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.173	C	C	.	.			trans	-80.5	-28.4	-179.6	-68.6	169.6	0	0	0	111.8	V578 L582 L637 H640 L730 C733 N737 L741	V578-L735 HydrophobicContact CG1-CD2 4.39Å; L582-L735 HydrophobicContact CD1-CB 4Å; L582-L735 WeakPolarHBondContact CD1-O 3.42Å; L582-L735 WeakPolarHBondContact CD2-O 3.38Å; L637-L735 HydrophobicContact CD1-CD1 4.05Å; H640-L735 HydrophobicContact CB-CD1 4.27Å; H640-L735 HydrophobicContact CB-CD2 4Å; L730-L735 HydrophobicContact CD2-CB 4.29Å; L730-L735 HydrophobicContact CD2-CD1 3.63Å; L730-L735 WeakPolarHBondContact O-CB 3.48Å; L730-L735 PolarHBondContact O-N 3.34Å; L730-L735 VanDerWaalsContact O-N 3.08Å; C733-L735 HydrophobicContact CB-CD1 4.43Å; C733-L735 HydrophobicContact CB-CG 4.49Å; C733-L735 PolarHBondContact O-N 3.48Å; L735-N737 VanDerWaalsContact C-N 3.26Å; L735-N737 PolarHBondContact O-N 3.02Å; L735-L741 HydrophobicContact CD2-CD1 3.84Å; L735-L741 HydrophobicContact CD2-CD2 4.26Å
736	T	81.9	Confident	86.1	Confident	58 Å²	58	38.4 Å²	38.4	36%	0.356	19%	0.191	S	C	.	.	S	Bend	trans	-68.8	-20.6	179.5	49	0	0	0	0	114.3	K731	K731-T736 HydrophobicContact CB-CG2 4Å; K731-T736 HydrophobicContact CG-CG2 4.44Å
737	N	82.1	Confident	86	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	19%	0.191	C	C	.	.			trans	-105.6	111.2	-177.3	-171.3	-36.3	0	0	0	111.6	L735 E739 L740 L741	L735-N737 VanDerWaalsContact C-N 3.26Å; L735-N737 PolarHBondContact O-N 3.02Å; N737-E739 VanDerWaalsContact C-N 3.3Å; N737-E739 PolarHBondContact O-N 3.09Å; N737-E739 WeakPolarHBondContact OD1-CB 3.49Å; N737-E739 PolarHBondContact OD1-N 3.48Å; N737-L740 HydrophobicContact CB-CB 4.17Å; N737-L740 HydrophobicContact CB-CD1 3.95Å; N737-L740 HydrophobicContact CB-CG 4.11Å; N737-L740 PolarHBondContact O-N 2.92Å; N737-L740 PolarHBondContact OD1-N 2.93Å; N737-L741 WeakPolarHBondContact O-CB 3.5Å; N737-L741 PolarHBondContact O-N 3.21Å; N737-L741 VanDerWaalsContact O-N 3.09Å
738	P	79.7	Confident	86	Confident	55 Å²	55	35.5 Å²	35.5	36%	0.357	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-26.7	-177.2	27.9	-34.9	0	0	0	113.3	L583 R742	L583-P738 HydrophobicContact CD2-CB 4.04Å; P738-R742 VanDerWaalsContact O-CB 3.32Å; P738-R742 WeakPolarHBondContact O-CB 3.34Å; P738-R742 PolarHBondContact O-N 3.22Å; P738-R742 VanDerWaalsContact O-N 3.08Å
739	E	82	Confident	85.9	Confident	114 Å²	114	34.7 Å²	34.7	53%	0.533	18%	0.176	S	C	.	.	H	α-helix	trans	-70.2	-48.4	177.6	-63.7	-167.8	171.6	0	0	111.2	N737 R742 I743 K832	N737-E739 VanDerWaalsContact C-N 3.3Å; N737-E739 PolarHBondContact O-N 3.09Å; N737-E739 WeakPolarHBondContact OD1-CB 3.49Å; N737-E739 PolarHBondContact OD1-N 3.48Å; E739-R742 PolarHBondContact O-N 2.86Å; E739-I743 WeakPolarHBondContact O-CG1 3.22Å; E739-I743 PolarHBondContact O-N 2.66Å; E739-I743 VanDerWaalsContact O-N 3.08Å; E739-K832 IonicContact OE2-NZ 2.65Å
740	L	83.5	Confident	85.9	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-46	177.4	-67.4	178.9	0	0	0	110.8	N737 R742 I743 F744 L829 K832 L833	N737-L740 HydrophobicContact CB-CB 4.17Å; N737-L740 HydrophobicContact CB-CD1 3.95Å; N737-L740 HydrophobicContact CB-CG 4.11Å; N737-L740 PolarHBondContact O-N 2.92Å; N737-L740 PolarHBondContact OD1-N 2.93Å; L740-R742 VanDerWaalsContact C-N 3.28Å; L740-R742 PolarHBondContact O-N 3.44Å; L740-I743 PolarHBondContact O-N 3.39Å; L740-F744 WeakPolarHBondContact O-CB 3.28Å; L740-F744 PolarHBondContact O-N 3.46Å; L740-L829 HydrophobicContact CD2-CD1 4.25Å; L740-K832 HydrophobicContact CD2-CB 3.75Å; L740-L833 HydrophobicContact CD1-CD2 4.31Å; L740-L833 HydrophobicContact CD2-CG 4.35Å
741	L	82.9	Confident	86.1	Confident	6 Å²	6	34 Å²	34	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-36.7	178.3	-171.6	61.8	0	0	0	112.2	I579 L582 L735 N737 F744 S745	I579-L741 HydrophobicContact CG1-CD2 4.11Å; I579-L741 HydrophobicContact CG1-CG 4.17Å; L582-L741 HydrophobicContact CB-CD2 4.43Å; L582-L741 HydrophobicContact CD1-CD2 4.39Å; L582-L741 HydrophobicContact CD2-CD2 4.14Å; L735-L741 HydrophobicContact CD2-CD1 3.84Å; L735-L741 HydrophobicContact CD2-CD2 4.26Å; N737-L741 WeakPolarHBondContact O-CB 3.5Å; N737-L741 PolarHBondContact O-N 3.21Å; N737-L741 VanDerWaalsContact O-N 3.09Å; L741-F744 PolarHBondContact O-N 3.44Å; L741-S745 WeakPolarHBondContact O-CB 3.32Å; L741-S745 PolarHBondContact O-N 2.92Å
742	R	84.8	Confident	86.3	Confident	141 Å²	141	32.1 Å²	32.1	53%	0.532	17%	0.166	S	C	.	.	H	α-helix	trans	-68.6	-40.2	176.5	-167.7	-175	72.7	132.3	-1.1	112.3	P738 E739 L740 K746	P738-R742 VanDerWaalsContact O-CB 3.32Å; P738-R742 WeakPolarHBondContact O-CB 3.34Å; P738-R742 PolarHBondContact O-N 3.22Å; P738-R742 VanDerWaalsContact O-N 3.08Å; E739-R742 PolarHBondContact O-N 2.86Å; L740-R742 VanDerWaalsContact C-N 3.28Å; L740-R742 PolarHBondContact O-N 3.44Å; R742-K746 WeakPolarHBondContact O-CG 3.44Å; R742-K746 PolarHBondContact O-N 3.35Å
743	I	86.9	Confident	86.4	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.046	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-47.3	175	-63.8	165.9	0	0	0	109.3	E739 L740 S745 K746 L747 D828 L829 K832	E739-I743 WeakPolarHBondContact O-CG1 3.22Å; E739-I743 PolarHBondContact O-N 2.66Å; E739-I743 VanDerWaalsContact O-N 3.08Å; L740-I743 PolarHBondContact O-N 3.39Å; I743-S745 PolarHBondContact O-N 3.46Å; I743-K746 PolarHBondContact O-N 3.08Å; I743-L747 PolarHBondContact O-N 3.38Å; I743-D828 WeakPolarHBondContact CD1-OD2 3.43Å; I743-L829 HydrophobicContact CB-CD1 4.41Å; I743-L829 HydrophobicContact CG2-CB 3.82Å; I743-L829 HydrophobicContact CG2-CD1 4.16Å; I743-K832 HydrophobicContact CD1-CB 4.47Å; I743-K832 HydrophobicContact CD1-CG 4Å
744	F	89.1	Confident	86.7	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-49.3	178.4	-171.8	-95.7	0	0	0	112.3	H640 F685 I689 L740 L741 K746 L747 M748 L829	H640-F744 AromaticContact NE2-CD1 3.57Å; H640-F744 AromaticContact NE2-CE1 3.38Å; H640-F744 WeakPolarHBondContact NE2-CE1 3.33Å; F685-F744 HydrophobicContact CE1-CE2 4.09Å; F685-F744 HydrophobicContact CZ-CD2 4.26Å; F685-F744 AromaticContact CZ-CE2 3.97Å; F685-F744 HydrophobicContact CZ-CE2 3.97Å; I689-F744 HydrophobicContact CG1-CE2 4.3Å; I689-F744 HydrophobicContact CG2-CE2 3.85Å; I689-F744 HydrophobicContact CG2-CZ 3.97Å; L740-F744 WeakPolarHBondContact O-CB 3.28Å; L740-F744 PolarHBondContact O-N 3.46Å; L741-F744 PolarHBondContact O-N 3.44Å; F744-K746 PolarHBondContact O-N 2.94Å; F744-L747 WeakPolarHBondContact O-CB 3.32Å; F744-L747 PolarHBondContact O-N 3.28Å; F744-L747 VanDerWaalsContact O-N 3.1Å; F744-M748 HydrophobicContact CD1-CG 3.96Å; F744-M748 HydrophobicContact CE1-CG 3.6Å; F744-M748 HydrophobicContact CE1-SD 4.09Å; F744-M748 HydrophobicContact CZ-CG 4Å; F744-M748 HydrophobicContact CZ-SD 3.91Å; F744-M748 WeakPolarHBondContact O-CG 3.25Å; F744-M748 PolarHBondContact O-N 3.2Å; F744-L829 HydrophobicContact CD2-CD2 4.46Å
745	S	86.7	Confident	86.9	Confident	42 Å²	42	35 Å²	35	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-58.9	-43.9	178.4	170.5	0	0	0	0	112.9	L741 I743 L747 M748 S749	L741-S745 WeakPolarHBondContact O-CB 3.32Å; L741-S745 PolarHBondContact O-N 2.92Å; I743-S745 PolarHBondContact O-N 3.46Å; S745-L747 VanDerWaalsContact C-N 3.33Å; S745-L747 PolarHBondContact O-N 3.49Å; S745-M748 PolarHBondContact O-N 3.26Å; S745-S749 PolarHBondContact O-N 3.46Å
746	K	88.1	Confident	87.1	Confident	92 Å²	92	38.6 Å²	38.6	40%	0.4	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-38.9	175.2	-72.7	176.7	-177.4	-177.1	0	112.1	R742 I743 F744 M748 S749 V750 M825	R742-K746 WeakPolarHBondContact O-CG 3.44Å; R742-K746 PolarHBondContact O-N 3.35Å; I743-K746 PolarHBondContact O-N 3.08Å; F744-K746 PolarHBondContact O-N 2.94Å; K746-M748 VanDerWaalsContact C-N 3.35Å; K746-S749 WeakPolarHBondContact O-CB 3.43Å; K746-S749 PolarHBondContact O-N 2.98Å; K746-V750 WeakPolarHBondContact O-CG2 3.47Å; K746-V750 PolarHBondContact O-N 3.01Å; K746-M825 HydrophobicContact CB-CE 3.12Å; K746-M825 HydrophobicContact CB-SD 3.99Å; K746-M825 HydrophobicContact CD-CE 3.71Å; K746-M825 HydrophobicContact CG-CE 4.08Å
747	L	91.1	Very high	87.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-44.2	175.7	-169.3	165.5	0	0	0	110.7	F685 I743 F744 S745 S749 V750 C751 F822 L826 L829	F685-L747 HydrophobicContact CD1-CD1 4.36Å; F685-L747 HydrophobicContact CD1-CD2 3.58Å; F685-L747 HydrophobicContact CE1-CD1 3.73Å; F685-L747 HydrophobicContact CE1-CD2 3.25Å; F685-L747 HydrophobicContact CE1-CG 4.12Å; F685-L747 HydrophobicContact CE2-CD1 4.17Å; F685-L747 HydrophobicContact CZ-CD1 3.6Å; F685-L747 HydrophobicContact CZ-CD2 4.03Å; F685-L747 HydrophobicContact CZ-CG 4.46Å; I743-L747 PolarHBondContact O-N 3.38Å; F744-L747 WeakPolarHBondContact O-CB 3.32Å; F744-L747 PolarHBondContact O-N 3.28Å; F744-L747 VanDerWaalsContact O-N 3.1Å; S745-L747 VanDerWaalsContact C-N 3.33Å; S745-L747 PolarHBondContact O-N 3.49Å; L747-S749 PolarHBondContact O-N 2.99Å; L747-V750 PolarHBondContact O-N 2.93Å; L747-C751 PolarHBondContact O-N 3.48Å; L747-C751 VanDerWaalsContact O-N 3.08Å; L747-C751 PolarHBondContact O-SG 3.03Å; L747-F822 HydrophobicContact CD1-CE2 4.44Å; L747-F822 HydrophobicContact CD2-CD2 4.14Å; L747-F822 HydrophobicContact CD2-CE2 3.56Å; L747-F822 HydrophobicContact CG-CD2 4.2Å; L747-F822 HydrophobicContact CG-CE2 3.98Å; L747-L826 HydrophobicContact CD1-CB 4.43Å; L747-L826 HydrophobicContact CD1-CD1 4.43Å; L747-L829 HydrophobicContact CD1-CD2 4.34Å
748	M	89.4	Confident	87.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-41.6	174.6	-63.6	-60.4	-80.3	0	0	112.2	Y643 C644 V647 I686 F744 S745 K746 V750 C751 V752	Y643-M748 HydrophobicContact CD1-CB 4.21Å; Y643-M748 HydrophobicContact CD1-CE 4.13Å; Y643-M748 HydrophobicContact CD1-CG 4.36Å; Y643-M748 HydrophobicContact CE1-CB 3.44Å; Y643-M748 VanDerWaalsContact CE1-CB 3.44Å; Y643-M748 HydrophobicContact CE1-CE 4.33Å; Y643-M748 HydrophobicContact CE1-CG 4.07Å; C644-M748 HydrophobicContact CB-CE 4.33Å; V647-M748 HydrophobicContact CB-CE 3.58Å; V647-M748 HydrophobicContact CG1-CE 4.14Å; V647-M748 HydrophobicContact CG2-CE 3.53Å; I686-M748 HydrophobicContact CD1-CE 4.19Å; I686-M748 HydrophobicContact CD1-SD 3.94Å; I686-M748 HydrophobicContact CG1-CE 4.47Å; I686-M748 HydrophobicContact CG1-SD 3.96Å; F744-M748 HydrophobicContact CD1-CG 3.96Å; F744-M748 HydrophobicContact CE1-CG 3.6Å; F744-M748 HydrophobicContact CE1-SD 4.09Å; F744-M748 HydrophobicContact CZ-CG 4Å; F744-M748 HydrophobicContact CZ-SD 3.91Å; F744-M748 WeakPolarHBondContact O-CG 3.25Å; F744-M748 PolarHBondContact O-N 3.2Å; S745-M748 PolarHBondContact O-N 3.26Å; K746-M748 VanDerWaalsContact C-N 3.35Å; M748-V750 VanDerWaalsContact C-N 3.34Å; M748-V750 PolarHBondContact O-N 3.08Å; M748-C751 WeakPolarHBondContact O-CB 3.29Å; M748-C751 PolarHBondContact O-N 2.96Å; M748-C751 VanDerWaalsContact O-N 3.12Å; M748-V752 WeakPolarHBondContact O-CG2 3.27Å; M748-V752 PolarHBondContact O-N 3.36Å
749	S	89.2	Confident	87.6	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	19%	0.185	S	C	.	.	H	α-helix	trans	-60.2	-41.2	174.5	-177.8	0	0	0	0	112.2	S745 K746 L747 C751 V752 M753	S745-S749 PolarHBondContact O-N 3.46Å; K746-S749 WeakPolarHBondContact O-CB 3.43Å; K746-S749 PolarHBondContact O-N 2.98Å; L747-S749 PolarHBondContact O-N 2.99Å; S749-C751 VanDerWaalsContact C-N 3.32Å; S749-C751 PolarHBondContact O-N 3.27Å; S749-V752 PolarHBondContact O-N 3.5Å; S749-M753 WeakPolarHBondContact O-CB 3.32Å; S749-M753 WeakPolarHBondContact O-CG 3.16Å; S749-M753 PolarHBondContact O-N 3.42Å
750	V	91.1	Very high	87.7	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-40.5	173.6	172.4	0	0	0	0	111.5	M682 K746 L747 M748 M753 F754 F818 F822 M825	M682-V750 HydrophobicContact CE-CG1 3.98Å; K746-V750 WeakPolarHBondContact O-CG2 3.47Å; K746-V750 PolarHBondContact O-N 3.01Å; L747-V750 PolarHBondContact O-N 2.93Å; M748-V750 VanDerWaalsContact C-N 3.34Å; M748-V750 PolarHBondContact O-N 3.08Å; V750-M753 HydrophobicContact CG2-CE 4.1Å; V750-F754 VanDerWaalsContact O-CB 3.32Å; V750-F754 WeakPolarHBondContact O-CB 3.36Å; V750-F754 PolarHBondContact O-N 3.43Å; V750-F818 HydrophobicContact CG1-CD1 4.17Å; V750-F822 HydrophobicContact CG1-CB 4.4Å; V750-M825 HydrophobicContact CG2-SD 4.2Å
751	C	92.4	Very high	87.4	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-43.9	175.7	-63.1	0	0	0	0	111.7	V647 M682 I686 L747 M748 S749 F754 T755	V647-C751 HydrophobicContact CG1-CB 3.6Å; M682-C751 HydrophobicContact SD-CB 4.41Å; I686-C751 HydrophobicContact CD1-CB 4.35Å; L747-C751 PolarHBondContact O-N 3.48Å; L747-C751 VanDerWaalsContact O-N 3.08Å; L747-C751 PolarHBondContact O-SG 3.03Å; M748-C751 WeakPolarHBondContact O-CB 3.29Å; M748-C751 PolarHBondContact O-N 2.96Å; M748-C751 VanDerWaalsContact O-N 3.12Å; S749-C751 VanDerWaalsContact C-N 3.32Å; S749-C751 PolarHBondContact O-N 3.27Å; C751-F754 WeakPolarHBondContact O-CB 3.41Å; C751-F754 PolarHBondContact O-N 3.39Å; C751-T755 WeakPolarHBondContact O-CG2 3.3Å; C751-T755 PolarHBondContact O-N 2.66Å; C751-T755 PolarHBondContact O-OG1 3.29Å
752	V	90.4	Very high	87	Confident	29 Å²	29	37 Å²	37	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-48.3	177.3	175	0	0	0	0	111.1	V647 L650 M748 S749 F754 T755 N756	V647-V752 HydrophobicContact CG1-CG2 4.33Å; V647-V752 HydrophobicContact CG2-CG2 3.63Å; L650-V752 HydrophobicContact CD1-CG1 4.47Å; L650-V752 HydrophobicContact CD1-CG2 4.26Å; M748-V752 WeakPolarHBondContact O-CG2 3.27Å; M748-V752 PolarHBondContact O-N 3.36Å; S749-V752 PolarHBondContact O-N 3.5Å; V752-F754 VanDerWaalsContact C-N 3.28Å; V752-F754 PolarHBondContact O-N 3.21Å; V752-T755 WeakPolarHBondContact CA-OG1 3.41Å; V752-T755 PolarHBondContact O-N 3.12Å; V752-T755 VanDerWaalsContact O-N 3.08Å; V752-T755 PolarHBondContact O-OG1 3.46Å; V752-N756 PolarHBondContact O-N 3.23Å
753	M	89.5	Confident	86.6	Confident	89 Å²	89	36.3 Å²	36.3	44%	0.438	19%	0.194	S	C	.	.	H	α-helix	trans	-58	-41.3	176.4	-74.1	-170.9	-73.6	0	0	112	S749 V750 C757 F818	S749-M753 WeakPolarHBondContact O-CB 3.32Å; S749-M753 WeakPolarHBondContact O-CG 3.16Å; S749-M753 PolarHBondContact O-N 3.42Å; V750-M753 HydrophobicContact CG2-CE 4.1Å; M753-C757 WeakPolarHBondContact O-CB 3.17Å; M753-C757 PolarHBondContact O-N 3.29Å; M753-F818 HydrophobicContact CB-CE1 4.01Å; M753-F818 HydrophobicContact CB-CZ 4.28Å
754	F	92.1	Very high	86.1	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-49.3	173.1	168.3	-97.5	0	0	0	111.1	L651 L678 R679 M682 V750 C751 V752 N756 C757 I758 I815 F818	L651-F754 HydrophobicContact CD2-CD1 4.09Å; L651-F754 HydrophobicContact CD2-CE1 4.18Å; L678-F754 HydrophobicContact CD2-CD2 3.85Å; L678-F754 HydrophobicContact CD2-CE2 3.79Å; L678-F754 HydrophobicContact CG-CD2 4.48Å; L678-F754 HydrophobicContact CG-CE2 4.21Å; R679-F754 HydrophobicContact CB-CE1 3.78Å; R679-F754 HydrophobicContact CB-CZ 3.89Å; R679-F754 HydrophobicContact CG-CE1 4.15Å; M682-F754 HydrophobicContact CE-CB 4.01Å; M682-F754 HydrophobicContact CE-CG 4.14Å; M682-F754 HydrophobicContact SD-CB 4.06Å; M682-F754 HydrophobicContact SD-CD1 3.59Å; M682-F754 VanDerWaalsContact SD-CD1 3.59Å; M682-F754 HydrophobicContact SD-CE1 4.17Å; M682-F754 HydrophobicContact SD-CG 3.81Å; V750-F754 VanDerWaalsContact O-CB 3.32Å; V750-F754 WeakPolarHBondContact O-CB 3.36Å; V750-F754 PolarHBondContact O-N 3.43Å; C751-F754 WeakPolarHBondContact O-CB 3.41Å; C751-F754 PolarHBondContact O-N 3.39Å; V752-F754 VanDerWaalsContact C-N 3.28Å; V752-F754 PolarHBondContact O-N 3.21Å; F754-N756 PolarHBondContact O-N 2.65Å; F754-C757 PolarHBondContact O-N 3.23Å; F754-I758 HydrophobicContact CD2-CG1 4.19Å; F754-I758 HydrophobicContact CE1-CG1 4.09Å; F754-I758 HydrophobicContact CE2-CD1 3.93Å; F754-I758 HydrophobicContact CE2-CG1 3.76Å; F754-I758 HydrophobicContact CZ-CD1 4.15Å; F754-I758 HydrophobicContact CZ-CG1 3.7Å; F754-I758 WeakPolarHBondContact O-CG1 3.5Å; F754-I758 PolarHBondContact O-N 2.89Å; F754-I815 HydrophobicContact CD2-CD1 4.33Å; F754-I815 HydrophobicContact CE2-CD1 3.93Å; F754-F818 HydrophobicContact CD2-CD2 4.29Å
755	T	89	Confident	85.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-42.3	179.9	53.2	0	0	0	0	112.9	L650 L651 V654 C751 V752 C757 I758 Q759	L650-T755 HydrophobicContact CB-CG2 4.08Å; L651-T755 HydrophobicContact CD2-CG2 3.55Å; L651-T755 HydrophobicContact CG-CG2 3.86Å; V654-T755 HydrophobicContact CG2-CG2 3.91Å; C751-T755 WeakPolarHBondContact O-CG2 3.3Å; C751-T755 PolarHBondContact O-N 2.66Å; C751-T755 PolarHBondContact O-OG1 3.29Å; V752-T755 WeakPolarHBondContact CA-OG1 3.41Å; V752-T755 PolarHBondContact O-N 3.12Å; V752-T755 VanDerWaalsContact O-N 3.08Å; V752-T755 PolarHBondContact O-OG1 3.46Å; T755-C757 PolarHBondContact O-N 3.27Å; T755-I758 PolarHBondContact O-N 3.41Å; T755-Q759 WeakPolarHBondContact O-CB 3.17Å; T755-Q759 VanDerWaalsContact O-CG 3.3Å; T755-Q759 WeakPolarHBondContact O-CG 3.44Å; T755-Q759 PolarHBondContact O-N 3.35Å
756	N	87.9	Confident	84.3	Confident	76 Å²	76	42.4 Å²	42.4	41%	0.406	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-40.4	177.9	-70.3	-13.6	0	0	0	111.7	V752 F754 Q759 T760	V752-N756 PolarHBondContact O-N 3.23Å; F754-N756 PolarHBondContact O-N 2.65Å; N756-Q759 PolarHBondContact O-N 3.24Å; N756-T760 WeakPolarHBondContact O-CB 3.24Å; N756-T760 PolarHBondContact O-N 2.86Å; N756-T760 PolarHBondContact O-OG1 2.91Å
757	C	87.1	Confident	83.5	Confident	37 Å²	37	43.2 Å²	43.2	25%	0.25	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-48.8	175.5	-176.6	0	0	0	0	111.2	M753 F754 T755 Q759 T760 F761 F818	M753-C757 WeakPolarHBondContact O-CB 3.17Å; M753-C757 PolarHBondContact O-N 3.29Å; F754-C757 PolarHBondContact O-N 3.23Å; T755-C757 PolarHBondContact O-N 3.27Å; C757-Q759 PolarHBondContact O-N 3.25Å; C757-T760 PolarHBondContact O-N 3.39Å; C757-F761 VanDerWaalsContact O-CB 3.32Å; C757-F761 WeakPolarHBondContact O-CB 3.42Å; C757-F761 PolarHBondContact O-N 3.5Å; C757-F818 HydrophobicContact CB-CE2 4.18Å
758	I	84.1	Confident	82.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-41.4	178.2	-61.3	-60.9	0	0	0	111.6	V654 A675 F754 T755 F761 T762 F811 I815	V654-I758 HydrophobicContact CG1-CB 4.02Å; V654-I758 HydrophobicContact CG1-CG1 4.46Å; V654-I758 HydrophobicContact CG1-CG2 3.49Å; V654-I758 VanDerWaalsContact CG1-CG2 3.49Å; A675-I758 HydrophobicContact CB-CD1 4.22Å; F754-I758 HydrophobicContact CD2-CG1 4.19Å; F754-I758 HydrophobicContact CE1-CG1 4.09Å; F754-I758 HydrophobicContact CE2-CD1 3.93Å; F754-I758 HydrophobicContact CE2-CG1 3.76Å; F754-I758 HydrophobicContact CZ-CD1 4.15Å; F754-I758 HydrophobicContact CZ-CG1 3.7Å; F754-I758 WeakPolarHBondContact O-CG1 3.5Å; F754-I758 PolarHBondContact O-N 2.89Å; T755-I758 PolarHBondContact O-N 3.41Å; I758-F761 PolarHBondContact O-N 2.8Å; I758-T762 WeakPolarHBondContact O-CB 3.26Å; I758-T762 PolarHBondContact O-N 3.34Å; I758-T762 PolarHBondContact O-OG1 2.86Å; I758-F811 HydrophobicContact CD1-CE2 4.04Å; I758-F811 HydrophobicContact CD1-CZ 3.56Å; I758-I815 HydrophobicContact CD1-CD1 3.88Å
759	Q	82.9	Confident	81.2	Confident	68 Å²	68	53.7 Å²	53.7	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-46.4	178.2	-74.8	177.1	-6.3	0	0	112.1	V654 T755 N756 C757 F761 T762 Q763	V654-Q759 HydrophobicContact CG2-CG 3.92Å; T755-Q759 WeakPolarHBondContact O-CB 3.17Å; T755-Q759 VanDerWaalsContact O-CG 3.3Å; T755-Q759 WeakPolarHBondContact O-CG 3.44Å; T755-Q759 PolarHBondContact O-N 3.35Å; N756-Q759 PolarHBondContact O-N 3.24Å; C757-Q759 PolarHBondContact O-N 3.25Å; Q759-F761 VanDerWaalsContact C-N 3.32Å; Q759-F761 PolarHBondContact O-N 3.03Å; Q759-T762 WeakPolarHBondContact O-CB 3.39Å; Q759-T762 PolarHBondContact O-N 3.4Å; Q759-Q763 WeakPolarHBondContact O-CB 3.26Å; Q759-Q763 PolarHBondContact O-N 2.76Å
760	T	82.5	Confident	80	Confident	92 Å²	92	55.7 Å²	55.7	56%	0.564	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-44.7	177.7	-53.8	0	0	0	0	110.9	N756 C757 Q763 S764	N756-T760 WeakPolarHBondContact O-CB 3.24Å; N756-T760 PolarHBondContact O-N 2.86Å; N756-T760 PolarHBondContact O-OG1 2.91Å; C757-T760 PolarHBondContact O-N 3.39Å; T760-Q763 PolarHBondContact O-N 3.07Å; T760-S764 PolarHBondContact O-N 3.27Å; T760-S764 PolarHBondContact O-OG 3.05Å
761	F	78.2	Confident	78.7	Confident	30 Å²	30	58.5 Å²	58.5	13%	0.132	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-41.1	176.7	-177.2	-97.9	0	0	0	112.4	F661 F672 C757 I758 Q759 Q763 S764 M765 F811	F661-F761 HydrophobicContact CZ-CD1 4.44Å; F672-F761 AromaticContact CE1-CE1 3.9Å; F672-F761 HydrophobicContact CE1-CE1 3.9Å; F672-F761 AromaticContact CZ-CE1 3.96Å; F672-F761 HydrophobicContact CZ-CE1 3.96Å; C757-F761 VanDerWaalsContact O-CB 3.32Å; C757-F761 WeakPolarHBondContact O-CB 3.42Å; C757-F761 PolarHBondContact O-N 3.5Å; I758-F761 PolarHBondContact O-N 2.8Å; Q759-F761 VanDerWaalsContact C-N 3.32Å; Q759-F761 PolarHBondContact O-N 3.03Å; F761-Q763 VanDerWaalsContact C-N 3.26Å; F761-Q763 PolarHBondContact O-N 3.32Å; F761-S764 PolarHBondContact O-N 3.06Å; F761-S764 PolarHBondContact O-OG 3.4Å; F761-M765 HydrophobicContact CD1-CG 4.31Å; F761-M765 HydrophobicContact CE1-CG 3.91Å; F761-M765 HydrophobicContact CE2-CG 4.29Å; F761-M765 HydrophobicContact CZ-CG 3.9Å; F761-M765 HydrophobicContact CZ-SD 4.24Å; F761-M765 WeakPolarHBondContact O-CB 3.38Å; F761-M765 VanDerWaalsContact O-CG 3.28Å; F761-M765 WeakPolarHBondContact O-CG 3.32Å; F761-M765 PolarHBondContact O-N 2.95Å; F761-M765 VanDerWaalsContact O-N 3.09Å; F761-F811 HydrophobicContact CB-CE2 4.03Å; F761-F811 AromaticContact CD1-CE2 4Å; F761-F811 HydrophobicContact CD1-CE2 4Å; F761-F811 HydrophobicContact CD1-CZ 4.02Å; F761-F811 AromaticContact CD2-CD2 3.81Å; F761-F811 HydrophobicContact CD2-CD2 3.81Å; F761-F811 HydrophobicContact CD2-CE2 4.01Å; F761-F811 HydrophobicContact CD2-CG 4.36Å; F761-F811 HydrophobicContact CE1-CE1 4.42Å; F761-F811 HydrophobicContact CE1-CE2 4.5Å; F761-F811 HydrophobicContact CE1-CZ 4.31Å; F761-F811 HydrophobicContact CE2-CB 4.46Å; F761-F811 HydrophobicContact CE2-CD2 4.09Å; F761-F811 HydrophobicContact CE2-CG 4.18Å; F761-F811 HydrophobicContact CG-CD2 4.03Å; F761-F811 AromaticContact CG-CE2 3.73Å; F761-F811 HydrophobicContact CG-CE2 3.73Å; F761-F811 HydrophobicContact CG-CZ 4.23Å; F761-F811 HydrophobicContact CZ-CD1 4.5Å; F761-F811 HydrophobicContact CZ-CG 4.43Å
762	T	74.9	Confident	77.1	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-39.6	174.8	-51.2	0	0	0	0	110.9	F661 I758 Q759 R766	F661-T762 HydrophobicContact CE1-CG2 4.43Å; F661-T762 HydrophobicContact CE2-CG2 4.22Å; F661-T762 HydrophobicContact CZ-CG2 3.73Å; F661-T762 WeakPolarHBondContact CZ-OG1 3.31Å; I758-T762 WeakPolarHBondContact O-CB 3.26Å; I758-T762 PolarHBondContact O-N 3.34Å; I758-T762 PolarHBondContact O-OG1 2.86Å; Q759-T762 WeakPolarHBondContact O-CB 3.39Å; Q759-T762 PolarHBondContact O-N 3.4Å; T762-R766 WeakPolarHBondContact O-CB 3.45Å; T762-R766 VanDerWaalsContact O-CG 3.29Å; T762-R766 WeakPolarHBondContact O-CG 3.48Å; T762-R766 PolarHBondContact O-N 3.23Å
763	Q	75.9	Confident	75.5	Confident	127 Å²	127	69.2 Å²	69.2	59%	0.593	35%	0.345	S	S	*	.	H	α-helix	trans	-71.3	-42.6	-179.2	-168.8	173.4	2.7	0	0	112.5	Q759 T760 F761 R766 L767	Q759-Q763 WeakPolarHBondContact O-CB 3.26Å; Q759-Q763 PolarHBondContact O-N 2.76Å; T760-Q763 PolarHBondContact O-N 3.07Å; F761-Q763 VanDerWaalsContact C-N 3.26Å; F761-Q763 PolarHBondContact O-N 3.32Å; Q763-R766 PolarHBondContact O-N 2.87Å; Q763-L767 HydrophobicContact CG-CD1 4.3Å; Q763-L767 WeakPolarHBondContact O-CG 3.46Å; Q763-L767 PolarHBondContact O-N 2.89Å
764	S	76.9	Confident	73.8	Confident	47 Å²	47	72.1 Å²	72.1	33%	0.329	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.8	62.6	0	0	0	0	111.6	T760 F761 R766 L767 E768	T760-S764 PolarHBondContact O-N 3.27Å; T760-S764 PolarHBondContact O-OG 3.05Å; F761-S764 PolarHBondContact O-N 3.06Å; F761-S764 PolarHBondContact O-OG 3.4Å; S764-R766 PolarHBondContact O-N 3.29Å; S764-L767 PolarHBondContact O-N 3.37Å; S764-E768 PolarHBondContact O-N 3.03Å
765	M	68.3	Low	71.6	Confident	33 Å²	33	74.8 Å²	74.8	16%	0.163	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-37.4	176.4	-71.4	-74.1	99.4	0	0	113.2	F761 E768 R769	F761-M765 HydrophobicContact CD1-CG 4.31Å; F761-M765 HydrophobicContact CE1-CG 3.91Å; F761-M765 HydrophobicContact CE2-CG 4.29Å; F761-M765 HydrophobicContact CZ-CG 3.9Å; F761-M765 HydrophobicContact CZ-SD 4.24Å; F761-M765 WeakPolarHBondContact O-CB 3.38Å; F761-M765 VanDerWaalsContact O-CG 3.28Å; F761-M765 WeakPolarHBondContact O-CG 3.32Å; F761-M765 PolarHBondContact O-N 2.95Å; F761-M765 VanDerWaalsContact O-N 3.09Å; M765-E768 VanDerWaalsContact CE-CD 3.42Å; M765-E768 HydrophobicContact CE-CG 4.48Å; M765-E768 WeakPolarHBondContact CE-OE2 3.38Å; M765-R769 PolarHBondContact O-N 3.29Å; M765-R769 VanDerWaalsContact O-N 3.09Å
766	R	70.2	Confident	69.7	Low	106 Å²	106	81 Å²	81	40%	0.4	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-40.4	173	-79.5	176.3	178	169.5	-0.4	111.7	D660 T762 Q763 S764 R769 L770	D660-R766 IonicContact OD2-CZ 3.29Å; D660-R766 IonicContact OD2-NE 2.8Å; D660-R766 IonicContact OD2-NH2 2.89Å; D660-R766 PolarHBondContact OD2-NH2 3.49Å; T762-R766 WeakPolarHBondContact O-CB 3.45Å; T762-R766 VanDerWaalsContact O-CG 3.29Å; T762-R766 WeakPolarHBondContact O-CG 3.48Å; T762-R766 PolarHBondContact O-N 3.23Å; Q763-R766 PolarHBondContact O-N 2.87Å; S764-R766 PolarHBondContact O-N 3.29Å; R766-R769 PolarHBondContact O-N 3.31Å; R766-L770 WeakPolarHBondContact O-CG 3.41Å; R766-L770 PolarHBondContact O-N 3.44Å
767	L	69.9	Low	67.7	Low	108 Å²	108	81.2 Å²	81.2	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-67	-43.1	177.5	-75.1	161.7	0	0	0	112.1	Q763 S764 R769 L770 S771	Q763-L767 HydrophobicContact CG-CD1 4.3Å; Q763-L767 WeakPolarHBondContact O-CG 3.46Å; Q763-L767 PolarHBondContact O-N 2.89Å; S764-L767 PolarHBondContact O-N 3.37Å; L767-R769 VanDerWaalsContact C-N 3.31Å; L767-R769 PolarHBondContact O-N 3.45Å; L767-L770 PolarHBondContact O-N 3.34Å; L767-S771 PolarHBondContact O-N 3.39Å
768	E	67.6	Low	65.6	Low	107 Å²	107	86 Å²	86	50%	0.5	46%	0.458	S	S	.	.	H	α-helix	trans	-59.7	-42.3	174.2	-77.9	-178.2	-163	0	0	111.7	S764 M765 S771 H772	S764-E768 PolarHBondContact O-N 3.03Å; M765-E768 VanDerWaalsContact CE-CD 3.42Å; M765-E768 HydrophobicContact CE-CG 4.48Å; M765-E768 WeakPolarHBondContact CE-OE2 3.38Å; E768-S771 WeakPolarHBondContact CA-OG 3.37Å; E768-S771 PolarHBondContact O-N 3.42Å; E768-S771 PolarHBondContact O-OG 3.04Å; E768-H772 PolarHBondContact O-N 2.55Å
769	R	65.3	Low	63.3	Low	113 Å²	113	97.6 Å²	97.6	43%	0.426	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-46	176	-176	179	167.6	-172.4	-5.5	112.8	M765 R766 L767 S771 H772 E773	M765-R769 PolarHBondContact O-N 3.29Å; M765-R769 VanDerWaalsContact O-N 3.09Å; R766-R769 PolarHBondContact O-N 3.31Å; L767-R769 VanDerWaalsContact C-N 3.31Å; L767-R769 PolarHBondContact O-N 3.45Å; R769-S771 PolarHBondContact O-N 2.86Å; R769-H772 PolarHBondContact O-N 3.13Å; R769-H772 VanDerWaalsContact O-N 3.13Å; R769-E773 HydrophobicContact CG-CG 4.46Å; R769-E773 IonicContact CZ-OE1 2.57Å; R769-E773 VanDerWaalsContact CZ-OE1 3.29Å; R769-E773 IonicContact NE-OE1 3.94Å; R769-E773 PolarHBondContact NE-OE1 3.42Å; R769-E773 IonicContact NH2-OE1 3.49Å; R769-E773 PolarHBondContact NH2-OE1 2.91Å; R769-E773 PolarHBondContact O-N 3.09Å
770	L	64.1	Low	61	Low	95 Å²	95	99.6 Å²	99.6	50%	0.497	52%	0.521	S	S	.	.	H	α-helix	trans	-60.1	-36.1	176.4	-73.4	166	0	0	0	111.3	R766 L767 Q774	R766-L770 WeakPolarHBondContact O-CG 3.41Å; R766-L770 PolarHBondContact O-N 3.44Å; L767-L770 PolarHBondContact O-N 3.34Å; L770-Q774 WeakPolarHBondContact O-CB 3.31Å; L770-Q774 WeakPolarHBondContact O-CG 3.47Å; L770-Q774 PolarHBondContact O-N 3.32Å
771	S	63.6	Low	58.9	Low	63 Å²	63	100.4 Å²	100.4	44%	0.441	54%	0.537	S	S	.	.	H	α-helix	trans	-69.5	-35.8	174.7	78.5	0	0	0	0	113.1	L767 E768 R769 G775	L767-S771 PolarHBondContact O-N 3.39Å; E768-S771 WeakPolarHBondContact CA-OG 3.37Å; E768-S771 PolarHBondContact O-N 3.42Å; E768-S771 PolarHBondContact O-OG 3.04Å; R769-S771 PolarHBondContact O-N 2.86Å; S771-G775 PolarHBondContact O-N 2.94Å
772	H	59.1	Low	56.8	Low	152 Å²	152	103.6 Å²	103.6	70%	0.704	57%	0.569	S	S	*	*	H	α-helix	trans	-71.7	-36.9	174	-98.1	27.5	0	0	0	112.8	E768 R769 G775 V776	E768-H772 PolarHBondContact O-N 2.55Å; R769-H772 PolarHBondContact O-N 3.13Å; R769-H772 VanDerWaalsContact O-N 3.13Å; H772-G775 PolarHBondContact O-N 3.23Å; H772-V776 WeakPolarHBondContact O-CG2 3.46Å; H772-V776 PolarHBondContact O-N 3Å
773	E	55.8	Low	54.7	Low	102 Å²	102	108 Å²	108	48%	0.477	61%	0.606	S	S	.	*	H	α-helix	trans	-69.4	-33.6	175.2	-73.1	177.4	-180	0	0	111.6	R769	R769-E773 HydrophobicContact CG-CG 4.46Å; R769-E773 IonicContact CZ-OE1 2.57Å; R769-E773 VanDerWaalsContact CZ-OE1 3.29Å; R769-E773 IonicContact NE-OE1 3.94Å; R769-E773 PolarHBondContact NE-OE1 3.42Å; R769-E773 IonicContact NH2-OE1 3.49Å; R769-E773 PolarHBondContact NH2-OE1 2.91Å; R769-E773 PolarHBondContact O-N 3.09Å
774	Q	53.8	Low	52.8	Low	149 Å²	149	107.1 Å²	107.1	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-75.8	-34.4	172.7	-73.9	178.2	-13.8	0	0	113.3	L770 V776 A777	L770-Q774 WeakPolarHBondContact O-CB 3.31Å; L770-Q774 WeakPolarHBondContact O-CG 3.47Å; L770-Q774 PolarHBondContact O-N 3.32Å; Q774-V776 VanDerWaalsContact C-N 3.25Å; Q774-V776 PolarHBondContact O-N 3.13Å; Q774-A777 PolarHBondContact O-N 2.89Å
775	G	47.4	Very low	50.9	Low	57 Å²	57	113.3 Å²	113.3	59%	0.588	64%	0.638	S	S	*	*	H	α-helix	trans	-69.6	-15.7	178.6	0	0	0	0	0	115.2	S771 H772	S771-G775 PolarHBondContact O-N 2.94Å; H772-G775 PolarHBondContact O-N 3.23Å
776	V	49	Very low	49.2	Very low	131 Å²	131	121.2 Å²	121.2	79%	0.794	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-13.8	175.6	175.7	0	0	0	0	112	H772 Q774	H772-V776 WeakPolarHBondContact O-CG2 3.46Å; H772-V776 PolarHBondContact O-N 3Å; Q774-V776 VanDerWaalsContact C-N 3.25Å; Q774-V776 PolarHBondContact O-N 3.13Å
777	A	46	Very low	47.4	Very low	81 Å²	81	124.1 Å²	124.1	67%	0.669	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-11.3	-173.3	0	0	0	0	0	115.6	Q774	Q774-A777 PolarHBondContact O-N 2.89Å
778	D	43	Very low	45.6	Very low	136 Å²	136	126.7 Å²	126.7	73%	0.727	71%	0.711	S	S	*	*			trans	-135.1	94.7	179.4	-112.3	-22.6	0	0	0	113.3
779	R	34.3	Very low	43.9	Very low	249 Å²	249	131.2 Å²	131.2	94%	0.94	73%	0.732	S	S	*	*			trans	-140	99.6	154.5	-98.2	-171.8	172.2	175.8	-0.7	109.9
780	P	35.5	Very low	42.2	Very low	109 Å²	109	130.7 Å²	130.7	71%	0.708	75%	0.752	S	S	*	*			trans	-93	131.6	144.6	5.5	13.7	0	0	0	109	A782	P780-A782 PolarHBondContact O-N 3.44Å
781	A	38.8	Very low	40.7	Very low	110 Å²	110	135.1 Å²	135.1	91%	0.909	77%	0.77	S	S	*	*			trans	-70.8	107.3	174.1	0	0	0	0	0	110.9
782	A	33.8	Very low	39.3	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	79%	0.791	S	S	*	*			trans	-179.1	151.5	150.1	0	0	0	0	0	110.7	P780	P780-A782 PolarHBondContact O-N 3.44Å
783	A	30.9	Very low	38	Very low	97 Å²	97	144.5 Å²	144.5	80%	0.802	80%	0.801	S	S	*	*			trans	84.1	73.3	172.2	0	0	0	0	0	116.7
784	S	36	Very low	36.7	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	82%	0.822	S	S	*	*			trans	-57.9	147.9	133.8	50.6	0	0	0	0	110.1
785	E	37.2	Very low	35.4	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	83%	0.828	S	S	*	*			trans	95.4	89.9	175.4	-56.5	-178.6	178.4	0	0	115.2
786	Q	31.1	Very low	34.3	Very low	198 Å²	198	154.1 Å²	154.1	93%	0.925	84%	0.836	S	S	*	*			trans	168.2	78.3	133.1	-90.3	168.5	9.2	0	0	108.7
787	L	33.2	Very low	33.3	Very low	168 Å²	168	154.8 Å²	154.8	88%	0.88	84%	0.84	S	S	*	*			trans	-114.2	97.6	163.1	-81.9	167	0	0	0	105.9
788	D	32.9	Very low	32.5	Very low	162 Å²	162	159.3 Å²	159.3	87%	0.866	85%	0.845	S	S	*	*			trans	178.7	85.5	156.9	-92.5	-20.4	0	0	0	108.3
789	E	31.3	Very low	31.7	Very low	202 Å²	202	162.4 Å²	162.4	94%	0.944	85%	0.852	S	S	*	*	S	Bend	trans	167.3	68.1	151	-97.6	-170.8	157.1	0	0	111.1
790	A	30.1	Very low	31.6	Very low	102 Å²	102	156.1 Å²	156.1	84%	0.843	84%	0.841	S	S	*	*			trans	-155	23.9	163.1	0	0	0	0	0	114.1
791	E	32.7	Very low	31.5	Very low	188 Å²	188	155.9 Å²	155.9	88%	0.879	85%	0.849	S	S	*	*			trans	-97	90.8	166.4	-79.7	-164	150.3	0	0	110.2
792	K	34.1	Very low	31.1	Very low	200 Å²	200	158.9 Å²	158.9	87%	0.87	84%	0.844	S	S	*	*			trans	177.6	95.9	145.4	-100	157.2	-174.5	173.3	0	110.5
793	K	30.9	Very low	30.8	Very low	212 Å²	212	159.3 Å²	159.3	92%	0.922	83%	0.833	S	S	*	*			trans	168.3	86.7	135.3	-90.5	166.2	-174.1	-175.9	0	109.9
794	R	28.7	Very low	31	Very low	242 Å²	242	158.8 Å²	158.8	91%	0.913	84%	0.837	S	S	*	*			trans	-121.2	132.5	156.3	-80.2	-177.3	174.6	179.2	-1.6	107.4
795	P	26.3	Very low	30.9	Very low	127 Å²	127	161.8 Å²	161.8	83%	0.825	84%	0.843	S	S	*	*			trans	-82.5	145.3	155.5	30.6	-22.7	0	0	0	109.7
796	N	25.5	Very low	31	Very low	141 Å²	141	159.2 Å²	159.2	75%	0.754	83%	0.831	S	S	*	*			trans	-61.8	128.1	-173.9	-76.3	-44.5	0	0	0	114.2
797	T	26.2	Very low	32	Very low	144 Å²	144	152.2 Å²	152.2	88%	0.883	80%	0.804	S	S	*	*			trans	-140.1	106.2	132.8	-34.3	0	0	0	0	107.7
798	K	30.1	Very low	32.9	Very low	176 Å²	176	147.6 Å²	147.6	77%	0.765	78%	0.781	S	S	*	*			trans	-76.6	117.5	176.4	-72.3	176.7	174.4	179.6	0	108.8
799	F	27.3	Very low	34	Very low	201 Å²	201	143.3 Å²	143.3	88%	0.882	77%	0.768	S	S	*	*			trans	-155.4	103.8	138.6	-119.8	-85.5	0	0	0	109.3
800	V	31.4	Very low	35.7	Very low	117 Å²	117	137 Å²	137	71%	0.709	75%	0.746	S	S	*	*			trans	38.1	97.7	155.5	-166.2	0	0	0	0	117.7
801	A	33.7	Very low	37.8	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	71%	0.709	S	S	*	*			trans	-106.9	94.1	151.5	0	0	0	0	0	107.4
802	E	29.5	Very low	39.9	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	69%	0.685	S	S	*	*			trans	-154.8	141.6	162.1	-105.1	173.8	-176.6	0	0	106.3
803	D	27.8	Very low	42.1	Very low	106 Å²	106	121.5 Å²	121.5	57%	0.567	67%	0.67	S	S	*	*			trans	80.3	85.6	-176.4	-72.9	-3.2	0	0	0	120.1	L805 Q806	D803-L805 PolarHBondContact O-N 3.38Å; D803-Q806 HydrophobicContact CB-CB 4.22Å; D803-Q806 HydrophobicContact CB-CG 3.77Å; D803-Q806 PolarHBondContact O-N 3.01Å; D803-Q806 PolarHBondContact OD2-NE2 3.33Å
804	G	34.5	Very low	44.7	Very low	86 Å²	86	113.9 Å²	113.9	89%	0.887	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	29.2	160.9	0	0	0	0	0	115.5
805	L	35.6	Very low	47.4	Very low	171 Å²	171	102.6 Å²	102.6	90%	0.895	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	4.6	172.7	-104.5	107.1	0	0	0	113.7	D803	D803-L805 PolarHBondContact O-N 3.38Å
806	Q	37.7	Very low	50.2	Low	123 Å²	123	98.2 Å²	98.2	58%	0.575	58%	0.577	S	S	*	*			trans	-98	-1.4	-179.1	-76.4	-174.5	12.4	0	0	114.9	D803 D808	D803-Q806 HydrophobicContact CB-CB 4.22Å; D803-Q806 HydrophobicContact CB-CG 3.77Å; D803-Q806 PolarHBondContact O-N 3.01Å; D803-Q806 PolarHBondContact OD2-NE2 3.33Å; Q806-D808 PolarHBondContact O-N 3.22Å
807	S	53.4	Low	53.2	Low	52 Å²	52	99 Å²	99	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-65.7	-40.1	-175.1	56.4	0	0	0	0	113.6	S810 F811	S807-S810 PolarHBondContact O-OG 3.35Å; S807-F811 PolarHBondContact O-N 2.94Å
808	D	52.1	Low	56.2	Low	71 Å²	71	93.6 Å²	93.6	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-78	-37.3	-165.5	-72.6	9.6	0	0	0	113.6	Q806 E812	Q806-D808 PolarHBondContact O-N 3.22Å; D808-E812 PolarHBondContact O-N 3.45Å
809	A	54.8	Low	59.1	Low	72 Å²	72	88 Å²	88	60%	0.595	52%	0.517	S	S	*	.	H	α-helix	trans	-74.7	-31.3	178.6	0	0	0	0	0	112.7	A813	A809-A813 PolarHBondContact O-N 3.38Å
810	S	68	Low	62	Low	69 Å²	69	82 Å²	82	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-37	176.7	74.2	0	0	0	0	111.9	S807 A813 T814	S807-S810 PolarHBondContact O-OG 3.35Å; S810-A813 PolarHBondContact O-N 2.9Å; S810-T814 PolarHBondContact O-N 3.47Å; S810-T814 VanDerWaalsContact O-N 3.08Å; S810-T814 PolarHBondContact O-OG1 3.11Å
811	F	73.6	Confident	64.8	Low	15 Å²	15	79.7 Å²	79.7	7%	0.066	48%	0.484	C	S	.	.	H	α-helix	trans	-68.3	-44.8	-179.7	-175.6	-104.1	0	0	0	112	I758 F761 S807 A813 T814 I815	I758-F811 HydrophobicContact CD1-CE2 4.04Å; I758-F811 HydrophobicContact CD1-CZ 3.56Å; F761-F811 HydrophobicContact CB-CE2 4.03Å; F761-F811 AromaticContact CD1-CE2 4Å; F761-F811 HydrophobicContact CD1-CE2 4Å; F761-F811 HydrophobicContact CD1-CZ 4.02Å; F761-F811 AromaticContact CD2-CD2 3.81Å; F761-F811 HydrophobicContact CD2-CD2 3.81Å; F761-F811 HydrophobicContact CD2-CE2 4.01Å; F761-F811 HydrophobicContact CD2-CG 4.36Å; F761-F811 HydrophobicContact CE1-CE1 4.42Å; F761-F811 HydrophobicContact CE1-CE2 4.5Å; F761-F811 HydrophobicContact CE1-CZ 4.31Å; F761-F811 HydrophobicContact CE2-CB 4.46Å; F761-F811 HydrophobicContact CE2-CD2 4.09Å; F761-F811 HydrophobicContact CE2-CG 4.18Å; F761-F811 HydrophobicContact CG-CD2 4.03Å; F761-F811 AromaticContact CG-CE2 3.73Å; F761-F811 HydrophobicContact CG-CE2 3.73Å; F761-F811 HydrophobicContact CG-CZ 4.23Å; F761-F811 HydrophobicContact CZ-CD1 4.5Å; F761-F811 HydrophobicContact CZ-CG 4.43Å; S807-F811 PolarHBondContact O-N 2.94Å; F811-A813 PolarHBondContact O-N 3.49Å; F811-T814 WeakPolarHBondContact O-CB 3.35Å; F811-T814 PolarHBondContact O-N 2.87Å; F811-T814 VanDerWaalsContact O-N 3.08Å; F811-I815 HydrophobicContact CD1-CG1 4.12Å; F811-I815 HydrophobicContact CE1-CD1 4.21Å; F811-I815 HydrophobicContact CE1-CG1 3.79Å; F811-I815 HydrophobicContact CE2-CD1 4.18Å; F811-I815 HydrophobicContact CE2-CG1 4.37Å; F811-I815 HydrophobicContact CZ-CD1 3.85Å; F811-I815 HydrophobicContact CZ-CG1 3.94Å; F811-I815 WeakPolarHBondContact O-CG1 3.26Å; F811-I815 PolarHBondContact O-N 3.41Å
812	E	76.9	Confident	67.6	Low	81 Å²	81	74.8 Å²	74.8	38%	0.379	44%	0.443	S	S	.	.	H	α-helix	trans	-55	-49.5	174.3	179.4	-170.8	175.7	0	0	111.9	W671 D808 T814 I815 G816	W671-E812 HydrophobicContact CD2-CB 4.02Å; W671-E812 HydrophobicContact CD2-CG 3.92Å; W671-E812 HydrophobicContact CE3-CB 4.05Å; W671-E812 HydrophobicContact CE3-CG 3.43Å; W671-E812 VanDerWaalsContact CE3-CG 3.43Å; W671-E812 HydrophobicContact CG-CB 4.36Å; W671-E812 HydrophobicContact CH2-CG 4.14Å; W671-E812 WeakPolarHBondContact CH2-OE1 3.39Å; W671-E812 WeakPolarHBondContact CH2-OE2 3.27Å; W671-E812 WeakPolarHBondContact CZ2-OE2 3Å; W671-E812 HydrophobicContact CZ3-CG 3.58Å; W671-E812 WeakPolarHBondContact CZ3-OE1 2.81Å; W671-E812 WeakPolarHBondContact CZ3-OE2 3.39Å; D808-E812 PolarHBondContact O-N 3.45Å; E812-T814 PolarHBondContact O-N 3.02Å; E812-I815 PolarHBondContact O-N 3.15Å; E812-G816 PolarHBondContact O-N 2.64Å
813	A	80.3	Confident	70.5	Confident	68 Å²	68	67.7 Å²	67.7	56%	0.562	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-35.3	177.9	0	0	0	0	0	112	A809 S810 F811 K817	A809-A813 PolarHBondContact O-N 3.38Å; S810-A813 PolarHBondContact O-N 2.9Å; F811-A813 PolarHBondContact O-N 3.49Å; A813-K817 WeakPolarHBondContact O-CB 3.45Å; A813-K817 PolarHBondContact O-N 3.15Å
814	T	84.8	Confident	73.4	Confident	53 Å²	53	69 Å²	69	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-69.7	-42.9	177.8	-47.4	0	0	0	0	111.5	S810 F811 E812 K817 F818	S810-T814 PolarHBondContact O-N 3.47Å; S810-T814 VanDerWaalsContact O-N 3.08Å; S810-T814 PolarHBondContact O-OG1 3.11Å; F811-T814 WeakPolarHBondContact O-CB 3.35Å; F811-T814 PolarHBondContact O-N 2.87Å; F811-T814 VanDerWaalsContact O-N 3.08Å; E812-T814 PolarHBondContact O-N 3.02Å; T814-K817 PolarHBondContact O-N 3.04Å; T814-F818 HydrophobicContact CG2-CD2 4.14Å; T814-F818 HydrophobicContact CG2-CE2 3.71Å; T814-F818 HydrophobicContact CG2-CZ 4.5Å; T814-F818 WeakPolarHBondContact O-CD2 3.43Å; T814-F818 PolarHBondContact O-N 2.78Å
815	I	85.4	Confident	76	Confident	5 Å²	5	66 Å²	66	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-43.5	175.2	-61.9	-59.3	0	0	0	111.2	A674 A675 L678 F754 I758 F811 E812 K817 F818 D819	A674-I815 HydrophobicContact CB-CG2 4.31Å; A675-I815 HydrophobicContact CB-CD1 4.11Å; A675-I815 HydrophobicContact CB-CG1 4.37Å; A675-I815 HydrophobicContact CB-CG2 4.35Å; L678-I815 HydrophobicContact CD2-CG2 4.37Å; F754-I815 HydrophobicContact CD2-CD1 4.33Å; F754-I815 HydrophobicContact CE2-CD1 3.93Å; I758-I815 HydrophobicContact CD1-CD1 3.88Å; F811-I815 HydrophobicContact CD1-CG1 4.12Å; F811-I815 HydrophobicContact CE1-CD1 4.21Å; F811-I815 HydrophobicContact CE1-CG1 3.79Å; F811-I815 HydrophobicContact CE2-CD1 4.18Å; F811-I815 HydrophobicContact CE2-CG1 4.37Å; F811-I815 HydrophobicContact CZ-CD1 3.85Å; F811-I815 HydrophobicContact CZ-CG1 3.94Å; F811-I815 WeakPolarHBondContact O-CG1 3.26Å; F811-I815 PolarHBondContact O-N 3.41Å; E812-I815 PolarHBondContact O-N 3.15Å; I815-K817 VanDerWaalsContact C-N 3.28Å; I815-K817 PolarHBondContact O-N 2.9Å; I815-F818 PolarHBondContact O-N 2.65Å; I815-D819 WeakPolarHBondContact O-CB 3.21Å; I815-D819 PolarHBondContact O-N 3.08Å
816	G	85.3	Confident	78.5	Confident	35 Å²	35	58 Å²	58	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-35.7	175.3	0	0	0	0	0	112.9	E812 S820	E812-G816 PolarHBondContact O-N 2.64Å; G816-S820 WeakPolarHBondContact O-CB 3.36Å; G816-S820 PolarHBondContact O-N 3Å; G816-S820 PolarHBondContact O-OG 3.3Å
817	K	88.5	Confident	80.9	Confident	157 Å²	157	53 Å²	53	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-67.4	-43	173.1	-171.9	179.2	-179.1	-178.2	0	112.1	A813 T814 I815 N821	A813-K817 WeakPolarHBondContact O-CB 3.45Å; A813-K817 PolarHBondContact O-N 3.15Å; T814-K817 PolarHBondContact O-N 3.04Å; I815-K817 VanDerWaalsContact C-N 3.28Å; I815-K817 PolarHBondContact O-N 2.9Å; K817-N821 VanDerWaalsContact O-CB 3.28Å; K817-N821 WeakPolarHBondContact O-CB 3.37Å; K817-N821 PolarHBondContact O-N 3.39Å
818	F	90.5	Very high	82.5	Confident	31 Å²	31	53.5 Å²	53.5	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-41.6	175.5	-76.1	-56.9	0	0	0	112.2	L678 V750 M753 F754 C757 T814 I815 N821 F822	L678-F818 HydrophobicContact CD2-CB 3.69Å; V750-F818 HydrophobicContact CG1-CD1 4.17Å; M753-F818 HydrophobicContact CB-CE1 4.01Å; M753-F818 HydrophobicContact CB-CZ 4.28Å; F754-F818 HydrophobicContact CD2-CD2 4.29Å; C757-F818 HydrophobicContact CB-CE2 4.18Å; T814-F818 HydrophobicContact CG2-CD2 4.14Å; T814-F818 HydrophobicContact CG2-CE2 3.71Å; T814-F818 HydrophobicContact CG2-CZ 4.5Å; T814-F818 WeakPolarHBondContact O-CD2 3.43Å; T814-F818 PolarHBondContact O-N 2.78Å; I815-F818 PolarHBondContact O-N 2.65Å; F818-N821 PolarHBondContact O-N 3.42Å; F818-F822 WeakPolarHBondContact O-CB 3.42Å; F818-F822 PolarHBondContact O-N 2.91Å
819	D	89.6	Confident	84.2	Confident	58 Å²	58	50.2 Å²	50.2	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-44.1	178.9	-169.7	36.2	0	0	0	112.1	L678 R681 I815 S823	L678-D819 HydrophobicContact CD1-CB 4.12Å; L678-D819 WeakPolarHBondContact CD1-OD1 3.42Å; L678-D819 HydrophobicContact CD2-CB 4.17Å; R681-D819 IonicContact CZ-OD1 2.72Å; R681-D819 IonicContact NH1-OD1 3.82Å; R681-D819 PolarHBondContact NH1-OD1 3.22Å; R681-D819 IonicContact NH1-OD2 2.59Å; I815-D819 WeakPolarHBondContact O-CB 3.21Å; I815-D819 PolarHBondContact O-N 3.08Å; D819-S823 VanDerWaalsContact O-CB 3.26Å; D819-S823 WeakPolarHBondContact O-CB 3.19Å; D819-S823 PolarHBondContact O-N 2.84Å; D819-S823 PolarHBondContact O-OG 2.97Å
820	S	88.3	Confident	85.7	Confident	76 Å²	76	46.8 Å²	46.8	53%	0.531	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-46.2	176	-57.5	0	0	0	0	111.5	G816 S823 M824	G816-S820 WeakPolarHBondContact O-CB 3.36Å; G816-S820 PolarHBondContact O-N 3Å; G816-S820 PolarHBondContact O-OG 3.3Å; S820-S823 PolarHBondContact O-N 3.45Å; S820-M824 WeakPolarHBondContact O-CB 3.49Å; S820-M824 VanDerWaalsContact O-CG 3.31Å; S820-M824 WeakPolarHBondContact O-CG 3.45Å; S820-M824 PolarHBondContact O-N 3.33Å
821	N	91.7	Very high	86.5	Confident	68 Å²	68	44.1 Å²	44.1	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-50.4	178.9	-169.3	8.5	0	0	0	111.1	K817 F818 S823 M824 M825	K817-N821 VanDerWaalsContact O-CB 3.28Å; K817-N821 WeakPolarHBondContact O-CB 3.37Å; K817-N821 PolarHBondContact O-N 3.39Å; F818-N821 PolarHBondContact O-N 3.42Å; N821-S823 VanDerWaalsContact C-N 3.31Å; N821-S823 PolarHBondContact O-N 3.18Å; N821-M824 PolarHBondContact O-N 3.29Å; N821-M825 VanDerWaalsContact O-CG 3.25Å; N821-M825 WeakPolarHBondContact O-CG 3.46Å; N821-M825 PolarHBondContact O-N 3.08Å
822	F	92	Very high	87	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-44.2	177.4	178.7	-96.9	0	0	0	112	L678 R681 M682 F685 L747 V750 F818 M825 L826	L678-F822 HydrophobicContact CD1-CB 4.34Å; L678-F822 HydrophobicContact CD1-CD1 4.27Å; L678-F822 HydrophobicContact CD1-CG 4.42Å; R681-F822 HydrophobicContact CB-CE1 4.16Å; M682-F822 HydrophobicContact CB-CE2 4.33Å; M682-F822 HydrophobicContact CB-CZ 4.44Å; M682-F822 HydrophobicContact CE-CB 4.06Å; M682-F822 HydrophobicContact CE-CD2 3.83Å; M682-F822 HydrophobicContact CE-CG 4.02Å; M682-F822 HydrophobicContact CG-CD2 3.82Å; M682-F822 HydrophobicContact CG-CE1 4.36Å; M682-F822 HydrophobicContact CG-CE2 3.61Å; M682-F822 HydrophobicContact CG-CG 4.27Å; M682-F822 HydrophobicContact CG-CZ 3.92Å; F685-F822 HydrophobicContact CB-CZ 4.09Å; F685-F822 HydrophobicContact CG-CZ 4.31Å; L747-F822 HydrophobicContact CD1-CE2 4.44Å; L747-F822 HydrophobicContact CD2-CD2 4.14Å; L747-F822 HydrophobicContact CD2-CE2 3.56Å; L747-F822 HydrophobicContact CG-CD2 4.2Å; L747-F822 HydrophobicContact CG-CE2 3.98Å; V750-F822 HydrophobicContact CG1-CB 4.4Å; F818-F822 WeakPolarHBondContact O-CB 3.42Å; F818-F822 PolarHBondContact O-N 2.91Å; F822-M825 PolarHBondContact O-N 2.9Å; F822-L826 HydrophobicContact CE1-CD2 3.91Å; F822-L826 HydrophobicContact CZ-CD2 4.29Å; F822-L826 VanDerWaalsContact O-CB 3.26Å; F822-L826 WeakPolarHBondContact O-CB 3.4Å; F822-L826 PolarHBondContact O-N 3.46Å
823	S	89.2	Confident	87.3	Confident	23 Å²	23	43 Å²	43	16%	0.161	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.4	179.1	-57.2	0	0	0	0	112.1	R681 D819 S820 N821 M825 L826 L827	R681-S823 PolarHBondContact NH1-OG 2.71Å; R681-S823 PolarHBondContact NH2-OG 3Å; D819-S823 VanDerWaalsContact O-CB 3.26Å; D819-S823 WeakPolarHBondContact O-CB 3.19Å; D819-S823 PolarHBondContact O-N 2.84Å; D819-S823 PolarHBondContact O-OG 2.97Å; S820-S823 PolarHBondContact O-N 3.45Å; N821-S823 VanDerWaalsContact C-N 3.31Å; N821-S823 PolarHBondContact O-N 3.18Å; S823-M825 VanDerWaalsContact C-N 3.35Å; S823-M825 PolarHBondContact O-N 3.01Å; S823-L826 PolarHBondContact O-N 2.92Å; S823-L827 WeakPolarHBondContact O-CB 3.28Å; S823-L827 VanDerWaalsContact O-CG 3.29Å; S823-L827 WeakPolarHBondContact O-CG 3.5Å; S823-L827 PolarHBondContact O-N 3.25Å
824	M	88.6	Confident	87.3	Confident	133 Å²	133	41.9 Å²	41.9	66%	0.655	23%	0.23	S	C	*	.	H	α-helix	trans	-59.5	-45.1	175.6	-76.9	-63.9	-57.2	0	0	112	S820 N821 D828	S820-M824 WeakPolarHBondContact O-CB 3.49Å; S820-M824 VanDerWaalsContact O-CG 3.31Å; S820-M824 WeakPolarHBondContact O-CG 3.45Å; S820-M824 PolarHBondContact O-N 3.33Å; N821-M824 PolarHBondContact O-N 3.29Å; M824-D828 WeakPolarHBondContact O-CB 3.31Å; M824-D828 PolarHBondContact O-N 3.37Å
825	M	88.8	Confident	87	Confident	25 Å²	25	41.4 Å²	41.4	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-37.1	-178.7	-63.7	-159.1	71.8	0	0	113	K746 V750 N821 F822 S823 L829	K746-M825 HydrophobicContact CB-CE 3.12Å; K746-M825 HydrophobicContact CB-SD 3.99Å; K746-M825 HydrophobicContact CD-CE 3.71Å; K746-M825 HydrophobicContact CG-CE 4.08Å; V750-M825 HydrophobicContact CG2-SD 4.2Å; N821-M825 VanDerWaalsContact O-CG 3.25Å; N821-M825 WeakPolarHBondContact O-CG 3.46Å; N821-M825 PolarHBondContact O-N 3.08Å; F822-M825 PolarHBondContact O-N 2.9Å; S823-M825 VanDerWaalsContact C-N 3.35Å; S823-M825 PolarHBondContact O-N 3.01Å; M825-L829 WeakPolarHBondContact O-CB 3.13Å; M825-L829 PolarHBondContact O-N 3.34Å
826	L	88.9	Confident	86.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-43.2	175.9	177.2	60.3	0	0	0	111.4	F685 L747 F822 S823 L829 L830 Y858	F685-L826 HydrophobicContact CD2-CD1 3.46Å; F685-L826 VanDerWaalsContact CD2-CD1 3.46Å; F685-L826 HydrophobicContact CE2-CD1 3.51Å; F685-L826 HydrophobicContact CG-CD1 4.39Å; F685-L826 HydrophobicContact CZ-CD1 4.48Å; L747-L826 HydrophobicContact CD1-CB 4.43Å; L747-L826 HydrophobicContact CD1-CD1 4.43Å; F822-L826 HydrophobicContact CE1-CD2 3.91Å; F822-L826 HydrophobicContact CZ-CD2 4.29Å; F822-L826 VanDerWaalsContact O-CB 3.26Å; F822-L826 WeakPolarHBondContact O-CB 3.4Å; F822-L826 PolarHBondContact O-N 3.46Å; S823-L826 PolarHBondContact O-N 2.92Å; L826-L829 PolarHBondContact O-N 2.98Å; L826-L830 HydrophobicContact CD1-CD1 4.29Å; L826-L830 HydrophobicContact CD1-CG 4.43Å; L826-L830 HydrophobicContact CG-CD1 4.19Å; L826-L830 WeakPolarHBondContact O-CG 3.49Å; L826-L830 PolarHBondContact O-N 3Å; L826-Y858 HydrophobicContact CD2-CE1 4.02Å; L826-Y858 HydrophobicContact CD2-CE2 3.89Å; L826-Y858 WeakPolarHBondContact CD2-OH 3.32Å
827	L	87.4	Confident	85.7	Confident	18 Å²	18	41.9 Å²	41.9	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-42.3	176.2	-71.1	172.4	0	0	0	111.6	S823 L829 L830 D831 Y858 Q861 L862 M865	S823-L827 WeakPolarHBondContact O-CB 3.28Å; S823-L827 VanDerWaalsContact O-CG 3.29Å; S823-L827 WeakPolarHBondContact O-CG 3.5Å; S823-L827 PolarHBondContact O-N 3.25Å; L827-L829 VanDerWaalsContact C-N 3.31Å; L827-L829 PolarHBondContact O-N 2.99Å; L827-L830 PolarHBondContact O-N 3.43Å; L827-D831 WeakPolarHBondContact O-CB 3.29Å; L827-D831 PolarHBondContact O-N 2.92Å; L827-Y858 HydrophobicContact CD2-CD1 4.38Å; L827-Q861 HydrophobicContact CD1-CB 4.35Å; L827-Q861 HydrophobicContact CD2-CB 4.02Å; L827-L862 HydrophobicContact CD2-CD2 4.18Å; L827-L862 HydrophobicContact CD2-CG 4.43Å; L827-M865 HydrophobicContact CB-SD 3.99Å; L827-M865 HydrophobicContact CD1-SD 4.42Å
828	D	87.5	Confident	84.8	Confident	62 Å²	62	39.5 Å²	39.5	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-59.9	-41.2	174.4	-171.9	42	0	0	0	111.5	I743 M824 K832	I743-D828 WeakPolarHBondContact CD1-OD2 3.43Å; M824-D828 WeakPolarHBondContact O-CB 3.31Å; M824-D828 PolarHBondContact O-N 3.37Å; D828-K832 VanDerWaalsContact O-CB 3.29Å; D828-K832 WeakPolarHBondContact O-CB 3.36Å; D828-K832 WeakPolarHBondContact O-CG 3.36Å; D828-K832 PolarHBondContact O-N 2.99Å
829	L	87.9	Confident	83.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-50.3	175.3	-178.4	65.8	0	0	0	112.1	F685 L740 I743 F744 L747 M825 L826 L827 D831 K832 L833	F685-L829 HydrophobicContact CE2-CD2 3.96Å; F685-L829 HydrophobicContact CZ-CD2 3.83Å; L740-L829 HydrophobicContact CD2-CD1 4.25Å; I743-L829 HydrophobicContact CB-CD1 4.41Å; I743-L829 HydrophobicContact CG2-CB 3.82Å; I743-L829 HydrophobicContact CG2-CD1 4.16Å; F744-L829 HydrophobicContact CD2-CD2 4.46Å; L747-L829 HydrophobicContact CD1-CD2 4.34Å; M825-L829 WeakPolarHBondContact O-CB 3.13Å; M825-L829 PolarHBondContact O-N 3.34Å; L826-L829 PolarHBondContact O-N 2.98Å; L827-L829 VanDerWaalsContact C-N 3.31Å; L827-L829 PolarHBondContact O-N 2.99Å; L829-D831 VanDerWaalsContact C-N 3.34Å; L829-D831 PolarHBondContact O-N 2.57Å; L829-K832 PolarHBondContact O-N 3.46Å; L829-L833 HydrophobicContact CD1-CD1 4.27Å; L829-L833 HydrophobicContact CG-CD1 4.03Å; L829-L833 WeakPolarHBondContact O-CB 3.36Å; L829-L833 PolarHBondContact O-N 3.34Å
830	L	86.3	Confident	82	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-41.7	-179.8	-73.1	169.4	0	0	0	111.7	L826 L827 L833 S834 L852 Y858 L862	L826-L830 HydrophobicContact CD1-CD1 4.29Å; L826-L830 HydrophobicContact CD1-CG 4.43Å; L826-L830 HydrophobicContact CG-CD1 4.19Å; L826-L830 WeakPolarHBondContact O-CG 3.49Å; L826-L830 PolarHBondContact O-N 3Å; L827-L830 PolarHBondContact O-N 3.43Å; L830-L833 PolarHBondContact O-N 3.35Å; L830-S834 PolarHBondContact O-N 3.36Å; L830-L852 HydrophobicContact CD2-CB 3.88Å; L830-L852 HydrophobicContact CD2-CD1 3.64Å; L830-L852 HydrophobicContact CD2-CG 4.43Å; L830-Y858 HydrophobicContact CD1-CD2 4.36Å; L830-Y858 HydrophobicContact CD1-CG 4.43Å; L830-L862 HydrophobicContact CB-CD1 4.4Å; L830-L862 HydrophobicContact CB-CD2 3.76Å; L830-L862 HydrophobicContact CD1-CD1 4.35Å
831	D	84.1	Confident	80.3	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-44	178.8	-175.3	18.7	0	0	0	111.2	L827 L829 S834 I835 M865 R869	L827-D831 WeakPolarHBondContact O-CB 3.29Å; L827-D831 PolarHBondContact O-N 2.92Å; L829-D831 VanDerWaalsContact C-N 3.34Å; L829-D831 PolarHBondContact O-N 2.57Å; D831-S834 WeakPolarHBondContact O-CB 3.22Å; D831-S834 PolarHBondContact O-N 3.19Å; D831-S834 PolarHBondContact O-OG 3.11Å; D831-I835 WeakPolarHBondContact O-CG1 3.45Å; D831-I835 PolarHBondContact O-N 3.02Å; D831-I835 VanDerWaalsContact O-N 3.15Å; D831-M865 HydrophobicContact CB-CE 4.24Å; D831-M865 WeakPolarHBondContact OD2-CE 3.39Å; D831-R869 IonicContact OD1-CZ 2.65Å; D831-R869 IonicContact OD1-NH1 3.97Å; D831-R869 PolarHBondContact OD1-NH1 2.74Å; D831-R869 IonicContact OD1-NH2 3.77Å; D831-R869 PolarHBondContact OD1-NH2 2.71Å; D831-R869 IonicContact OD2-CZ 3.05Å; D831-R869 IonicContact OD2-NH1 2.71Å; D831-R869 IonicContact OD2-NH2 2.74Å; D831-R869 PolarHBondContact OD2-NH2 3.47Å
832	K	84.4	Confident	78.6	Confident	73 Å²	73	44 Å²	44	32%	0.317	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-39.2	175	-71.3	-73.1	-176.6	167.5	0	113.1	E739 L740 I743 D828 L829 S834 I835 Y836	E739-K832 IonicContact OE2-NZ 2.65Å; L740-K832 HydrophobicContact CD2-CB 3.75Å; I743-K832 HydrophobicContact CD1-CB 4.47Å; I743-K832 HydrophobicContact CD1-CG 4Å; D828-K832 VanDerWaalsContact O-CB 3.29Å; D828-K832 WeakPolarHBondContact O-CB 3.36Å; D828-K832 WeakPolarHBondContact O-CG 3.36Å; D828-K832 PolarHBondContact O-N 2.99Å; L829-K832 PolarHBondContact O-N 3.46Å; K832-S834 VanDerWaalsContact C-N 3.3Å; K832-S834 PolarHBondContact O-N 3.01Å; K832-I835 HydrophobicContact CD-CD1 4.23Å; K832-I835 PolarHBondContact O-N 3.5Å; K832-Y836 WeakPolarHBondContact O-CB 3.45Å; K832-Y836 PolarHBondContact O-N 2.73Å
833	L	83.5	Confident	77.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-40.1	171.7	-88	162.1	0	0	0	111.6	M734 L740 L829 L830 Y836 S837 M845 I848 I849	M734-L833 HydrophobicContact CG-CD2 4.49Å; M734-L833 HydrophobicContact SD-CD2 4.44Å; L740-L833 HydrophobicContact CD1-CD2 4.31Å; L740-L833 HydrophobicContact CD2-CG 4.35Å; L829-L833 HydrophobicContact CD1-CD1 4.27Å; L829-L833 HydrophobicContact CG-CD1 4.03Å; L829-L833 WeakPolarHBondContact O-CB 3.36Å; L829-L833 PolarHBondContact O-N 3.34Å; L830-L833 PolarHBondContact O-N 3.35Å; L833-Y836 PolarHBondContact O-N 3.32Å; L833-S837 PolarHBondContact O-N 3.19Å; L833-M845 HydrophobicContact CD2-CB 4.29Å; L833-M845 HydrophobicContact CD2-SD 4.25Å; L833-I848 HydrophobicContact CD1-CG2 4.04Å; L833-I848 HydrophobicContact CD2-CD1 4.15Å; L833-I849 HydrophobicContact CB-CD1 4.07Å; L833-I849 HydrophobicContact CB-CG1 4.07Å
834	S	79.7	Confident	75.9	Confident	44 Å²	44	52.2 Å²	52.2	31%	0.308	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-43.7	178.4	80.2	0	0	0	0	112.1	L830 D831 K832 S837 T838	L830-S834 PolarHBondContact O-N 3.36Å; D831-S834 WeakPolarHBondContact O-CB 3.22Å; D831-S834 PolarHBondContact O-N 3.19Å; D831-S834 PolarHBondContact O-OG 3.11Å; K832-S834 VanDerWaalsContact C-N 3.3Å; K832-S834 PolarHBondContact O-N 3.01Å; S834-S837 PolarHBondContact O-N 2.98Å; S834-T838 WeakPolarHBondContact O-CG2 3.45Å; S834-T838 PolarHBondContact O-N 3.16Å; S834-T838 VanDerWaalsContact O-N 3.15Å; S834-T838 PolarHBondContact O-OG1 3.12Å
835	I	78.7	Confident	74.9	Confident	42 Å²	42	46 Å²	46	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-47.8	176.3	-62.3	162.2	0	0	0	110.6	D831 K832 S837 T838 N839	D831-I835 WeakPolarHBondContact O-CG1 3.45Å; D831-I835 PolarHBondContact O-N 3.02Å; D831-I835 VanDerWaalsContact O-N 3.15Å; K832-I835 HydrophobicContact CD-CD1 4.23Å; K832-I835 PolarHBondContact O-N 3.5Å; I835-S837 VanDerWaalsContact C-N 3.27Å; I835-S837 PolarHBondContact O-N 2.94Å; I835-T838 WeakPolarHBondContact CA-OG1 3.24Å; I835-T838 PolarHBondContact O-N 3.35Å; I835-T838 VanDerWaalsContact O-N 3.11Å; I835-T838 PolarHBondContact O-OG1 3.31Å; I835-N839 WeakPolarHBondContact CG2-ND2 3.25Å; I835-N839 PolarHBondContact O-N 2.82Å
836	Y	75.9	Confident	74.3	Confident	41 Å²	41	47.1 Å²	47.1	16%	0.161	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-44	-176.2	-172	-95.9	0	0	0	110.8	K832 L833 T838 N839 D840 M845	K832-Y836 WeakPolarHBondContact O-CB 3.45Å; K832-Y836 PolarHBondContact O-N 2.73Å; L833-Y836 PolarHBondContact O-N 3.32Å; Y836-T838 PolarHBondContact O-N 3.46Å; Y836-N839 PolarHBondContact O-N 3.47Å; Y836-D840 WeakPolarHBondContact CE2-OD2 3.07Å; Y836-D840 PolarHBondContact O-N 2.91Å; Y836-D840 PolarHBondContact OH-OD2 3.32Å; Y836-M845 HydrophobicContact CD1-CE 3.98Å; Y836-M845 HydrophobicContact CD1-CG 4.48Å; Y836-M845 HydrophobicContact CD1-SD 3.22Å; Y836-M845 WeakPolarHBondContact CD1-SD 3.45Å; Y836-M845 HydrophobicContact CE1-CE 3.4Å; Y836-M845 VanDerWaalsContact CE1-CE 3.4Å; Y836-M845 HydrophobicContact CE1-SD 3.34Å; Y836-M845 WeakPolarHBondContact CE1-SD 3.44Å; Y836-M845 HydrophobicContact CG-SD 4.39Å
837	S	68.8	Low	73.8	Confident	10 Å²	10	48.7 Å²	48.7	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-40	175.3	-179.7	0	0	0	0	113.7	L833 S834 I835 C841 E842 I846	L833-S837 PolarHBondContact O-N 3.19Å; S834-S837 PolarHBondContact O-N 2.98Å; I835-S837 VanDerWaalsContact C-N 3.27Å; I835-S837 PolarHBondContact O-N 2.94Å; S837-C841 PolarHBondContact O-N 3.32Å; S837-E842 PolarHBondContact OG-O 2.97Å; S837-I846 VanDerWaalsContact OG-CD1 3.27Å; S837-I846 WeakPolarHBondContact OG-CD1 2.98Å; S837-I846 WeakPolarHBondContact OG-CG1 3.45Å
838	T	68.4	Low	73.6	Confident	106 Å²	106	47.9 Å²	47.9	65%	0.65	26%	0.264	S	S	*	.	H	α-helix	trans	-71.6	-29.4	-179.1	53.2	0	0	0	0	114	S834 I835 Y836	S834-T838 WeakPolarHBondContact O-CG2 3.45Å; S834-T838 PolarHBondContact O-N 3.16Å; S834-T838 VanDerWaalsContact O-N 3.15Å; S834-T838 PolarHBondContact O-OG1 3.12Å; I835-T838 WeakPolarHBondContact CA-OG1 3.24Å; I835-T838 PolarHBondContact O-N 3.35Å; I835-T838 VanDerWaalsContact O-N 3.11Å; I835-T838 PolarHBondContact O-OG1 3.31Å; Y836-T838 PolarHBondContact O-N 3.46Å
839	N	65.5	Low	73.3	Confident	117 Å²	117	46.4 Å²	46.4	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-87.3	-36.7	-175.4	-73.4	-14.8	0	0	0	113.1	I835 Y836	I835-N839 WeakPolarHBondContact CG2-ND2 3.25Å; I835-N839 PolarHBondContact O-N 2.82Å; Y836-N839 PolarHBondContact O-N 3.47Å
840	D	56.7	Low	73	Confident	80 Å²	80	54.3 Å²	54.3	43%	0.428	29%	0.286	S	S	.	.	H	α-helix	trans	-97.2	2.1	-174.5	-75.1	-12.5	0	0	0	113.8	Y836 E842	Y836-D840 WeakPolarHBondContact CE2-OD2 3.07Å; Y836-D840 PolarHBondContact O-N 2.91Å; Y836-D840 PolarHBondContact OH-OD2 3.32Å; D840-E842 HydrophobicContact CB-CG 4.03Å; D840-E842 PolarHBondContact O-N 3.43Å
841	C	51.8	Low	72.9	Confident	102 Å²	102	57.8 Å²	57.8	69%	0.689	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	28.4	-175.2	-67.2	0	0	0	0	113.4	S837 H843	S837-C841 PolarHBondContact O-N 3.32Å; C841-H843 PolarHBondContact O-N 2.92Å
842	E	57.2	Low	72.8	Confident	30 Å²	30	58 Å²	58	14%	0.14	30%	0.3	C	S	.	.			trans	-93.8	96.7	-177.5	-72.3	176.7	-164.4	0	0	110.1	K731 S837 D840 S844	K731-E842 WeakPolarHBondContact CE-OE1 2.97Å; K731-E842 WeakPolarHBondContact CE-OE2 3.38Å; K731-E842 VanDerWaalsContact NZ-CD 3.25Å; K731-E842 IonicContact NZ-OE1 3.75Å; K731-E842 PolarHBondContact NZ-OE1 3.33Å; K731-E842 IonicContact NZ-OE2 3.81Å; S837-E842 PolarHBondContact OG-O 2.97Å; D840-E842 HydrophobicContact CB-CG 4.03Å; D840-E842 PolarHBondContact O-N 3.43Å; E842-S844 PolarHBondContact O-N 3.26Å
843	H	59.9	Low	72.7	Confident	154 Å²	154	55.2 Å²	55.2	71%	0.713	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.6	179.6	-66.1	-64.2	0	0	0	113.5	C841	C841-H843 PolarHBondContact O-N 2.92Å
844	S	63	Low	72.6	Confident	42 Å²	42	63.4 Å²	63.4	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-40.7	-178.2	57.7	0	0	0	0	112.4	D732 E842 I846 S847	D732-S844 WeakPolarHBondContact OD1-CB 3.2Å; D732-S844 PolarHBondContact OD1-OG 2.95Å; E842-S844 PolarHBondContact O-N 3.26Å; S844-I846 VanDerWaalsContact C-N 3.29Å; S844-I846 PolarHBondContact O-N 3.25Å; S844-S847 WeakPolarHBondContact O-CB 3.45Å; S844-S847 PolarHBondContact O-N 2.93Å; S844-S847 PolarHBondContact O-OG 3.03Å
845	M	69	Low	72.7	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-74.9	-16	-177.2	-61.9	-161.6	-171.4	0	0	114.1	K731 L833 Y836 S847 I848	K731-M845 HydrophobicContact CG-CE 4.41Å; K731-M845 WeakPolarHBondContact O-CE 3.47Å; L833-M845 HydrophobicContact CD2-CB 4.29Å; L833-M845 HydrophobicContact CD2-SD 4.25Å; Y836-M845 HydrophobicContact CD1-CE 3.98Å; Y836-M845 HydrophobicContact CD1-CG 4.48Å; Y836-M845 HydrophobicContact CD1-SD 3.22Å; Y836-M845 WeakPolarHBondContact CD1-SD 3.45Å; Y836-M845 HydrophobicContact CE1-CE 3.4Å; Y836-M845 VanDerWaalsContact CE1-CE 3.4Å; Y836-M845 HydrophobicContact CE1-SD 3.34Å; Y836-M845 WeakPolarHBondContact CE1-SD 3.44Å; Y836-M845 HydrophobicContact CG-SD 4.39Å; M845-S847 VanDerWaalsContact C-N 3.26Å; M845-S847 PolarHBondContact O-N 2.93Å; M845-I848 HydrophobicContact CB-CD1 4.48Å; M845-I848 WeakPolarHBondContact O-CB 3.45Å; M845-I848 PolarHBondContact O-N 2.84Å
846	I	74.7	Confident	72.6	Confident	49 Å²	49	68 Å²	68	25%	0.251	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-35.6	172.8	-55.3	178.7	0	0	0	110.8	S837 S844 I848 I849 Y850	S837-I846 VanDerWaalsContact OG-CD1 3.27Å; S837-I846 WeakPolarHBondContact OG-CD1 2.98Å; S837-I846 WeakPolarHBondContact OG-CG1 3.45Å; S844-I846 VanDerWaalsContact C-N 3.29Å; S844-I846 PolarHBondContact O-N 3.25Å; I846-I848 PolarHBondContact O-N 2.71Å; I846-I849 WeakPolarHBondContact O-CB 3.42Å; I846-I849 PolarHBondContact O-N 2.94Å; I846-Y850 HydrophobicContact CG2-CD2 3.58Å; I846-Y850 HydrophobicContact CG2-CE2 3.28Å; I846-Y850 WeakPolarHBondContact O-CD2 3.26Å; I846-Y850 PolarHBondContact O-N 2.65Å
847	S	79.9	Confident	72.9	Confident	36 Å²	36	72.9 Å²	72.9	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-34.8	178.9	66.2	0	0	0	0	112.2	Y692 E696 S844 M845 I849 Y850 R851	Y692-S847 VanDerWaalsContact CE2-OG 3.24Å; Y692-S847 WeakPolarHBondContact CE2-OG 3.46Å; E696-S847 WeakPolarHBondContact OE2-CB 2.87Å; E696-S847 PolarHBondContact OE2-OG 2.73Å; S844-S847 WeakPolarHBondContact O-CB 3.45Å; S844-S847 PolarHBondContact O-N 2.93Å; S844-S847 PolarHBondContact O-OG 3.03Å; M845-S847 VanDerWaalsContact C-N 3.26Å; M845-S847 PolarHBondContact O-N 2.93Å; S847-I849 VanDerWaalsContact C-N 3.34Å; S847-I849 PolarHBondContact O-N 3.48Å; S847-Y850 PolarHBondContact O-N 3.47Å; S847-R851 VanDerWaalsContact O-CB 3.31Å; S847-R851 WeakPolarHBondContact O-CB 3.42Å; S847-R851 PolarHBondContact O-N 2.89Å
848	I	82.5	Confident	73.5	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-47.8	173.2	-55.8	176.2	0	0	0	110.2	I689 Y692 M734 L833 M845 I846 R851 L852	I689-I848 HydrophobicContact CD1-CG2 4.1Å; Y692-I848 HydrophobicContact CD1-CD1 3.98Å; Y692-I848 HydrophobicContact CD1-CG1 3.7Å; Y692-I848 HydrophobicContact CD2-CG1 3.74Å; Y692-I848 HydrophobicContact CE1-CD1 3.3Å; Y692-I848 HydrophobicContact CE1-CG1 3.32Å; Y692-I848 HydrophobicContact CE2-CD1 4.23Å; Y692-I848 HydrophobicContact CE2-CG1 3.4Å; Y692-I848 HydrophobicContact CG-CG1 3.89Å; Y692-I848 VanDerWaalsContact CZ-CD1 3.45Å; M734-I848 HydrophobicContact CE-CD1 4.15Å; M734-I848 HydrophobicContact CG-CD1 4.32Å; M734-I848 HydrophobicContact SD-CD1 4.1Å; L833-I848 HydrophobicContact CD1-CG2 4.04Å; L833-I848 HydrophobicContact CD2-CD1 4.15Å; M845-I848 HydrophobicContact CB-CD1 4.48Å; M845-I848 WeakPolarHBondContact O-CB 3.45Å; M845-I848 PolarHBondContact O-N 2.84Å; I846-I848 PolarHBondContact O-N 2.71Å; I848-R851 PolarHBondContact O-N 3.33Å; I848-L852 HydrophobicContact CG2-CD1 3.72Å; I848-L852 HydrophobicContact CG2-CG 4.15Å; I848-L852 WeakPolarHBondContact O-CB 3.32Å; I848-L852 VanDerWaalsContact O-CG 3.26Å; I848-L852 WeakPolarHBondContact O-CG 3.07Å; I848-L852 PolarHBondContact O-N 2.91Å
849	I	81.6	Confident	74	Confident	30 Å²	30	71 Å²	71	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-48	-178.2	-57.5	173.4	0	0	0	109.8	L833 I846 S847 R851 L852 D853	L833-I849 HydrophobicContact CB-CD1 4.07Å; L833-I849 HydrophobicContact CB-CG1 4.07Å; I846-I849 WeakPolarHBondContact O-CB 3.42Å; I846-I849 PolarHBondContact O-N 2.94Å; S847-I849 VanDerWaalsContact C-N 3.34Å; S847-I849 PolarHBondContact O-N 3.48Å; I849-R851 VanDerWaalsContact C-N 3.25Å; I849-R851 PolarHBondContact O-N 3.38Å; I849-L852 PolarHBondContact O-N 3.31Å; I849-D853 PolarHBondContact O-N 3.37Å
850	Y	81.3	Confident	74.3	Confident	168 Å²	168	71.2 Å²	71.2	66%	0.659	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-33.3	176.6	-77.7	-56.8	0	0	0	113	I846 S847 D853 F854	I846-Y850 HydrophobicContact CG2-CD2 3.58Å; I846-Y850 HydrophobicContact CG2-CE2 3.28Å; I846-Y850 WeakPolarHBondContact O-CD2 3.26Å; I846-Y850 PolarHBondContact O-N 2.65Å; S847-Y850 PolarHBondContact O-N 3.47Å; Y850-D853 CarbonylContact O-C 3.55Å; Y850-F854 WeakPolarHBondContact O-CA 3.27Å; Y850-F854 WeakPolarHBondContact O-CB 3.41Å; Y850-F854 PolarHBondContact O-N 2.95Å
851	R	83.6	Confident	75.2	Confident	73 Å²	73	72 Å²	72	28%	0.275	36%	0.362	S	S	.	.	H	α-helix	trans	-76	-41.7	178.9	-164.8	173.9	-173.1	110.8	5.9	112.1	N688 Y691 E696 S847 I848 I849 D853	N688-R851 HydrophobicContact CB-CG 4.44Å; Y691-R851 VanDerWaalsContact CB-NH2 3.29Å; E696-R851 IonicContact OE1-CZ 3.96Å; E696-R851 IonicContact OE1-NH1 2.97Å; E696-R851 PolarHBondContact OE1-NH1 2.99Å; S847-R851 VanDerWaalsContact O-CB 3.31Å; S847-R851 WeakPolarHBondContact O-CB 3.42Å; S847-R851 PolarHBondContact O-N 2.89Å; I848-R851 PolarHBondContact O-N 3.33Å; I849-R851 VanDerWaalsContact C-N 3.25Å; I849-R851 PolarHBondContact O-N 3.38Å; R851-D853 VanDerWaalsContact C-N 3.32Å
852	L	82.8	Confident	76.1	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-69.4	-30.2	177.7	-70.4	179.7	0	0	0	112.6	F685 N688 I689 L830 I848 I849	F685-L852 HydrophobicContact CD2-CD2 3.76Å; F685-L852 HydrophobicContact CE2-CD1 4.11Å; F685-L852 HydrophobicContact CE2-CD2 4.04Å; N688-L852 HydrophobicContact CB-CD2 4.12Å; I689-L852 HydrophobicContact CD1-CD1 3.94Å; I689-L852 HydrophobicContact CD1-CD2 3.94Å; I689-L852 HydrophobicContact CD1-CG 4.28Å; I689-L852 HydrophobicContact CG1-CD2 4.05Å; L830-L852 HydrophobicContact CD2-CB 3.88Å; L830-L852 HydrophobicContact CD2-CD1 3.64Å; L830-L852 HydrophobicContact CD2-CG 4.43Å; I848-L852 HydrophobicContact CG2-CD1 3.72Å; I848-L852 HydrophobicContact CG2-CG 4.15Å; I848-L852 WeakPolarHBondContact O-CB 3.32Å; I848-L852 VanDerWaalsContact O-CG 3.26Å; I848-L852 WeakPolarHBondContact O-CG 3.07Å; I848-L852 PolarHBondContact O-N 2.91Å; I849-L852 PolarHBondContact O-N 3.31Å
853	D	82.9	Confident	76.9	Confident	16 Å²	16	73.1 Å²	73.1	9%	0.086	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	39.5	178	-162.3	25.4	0	0	0	113.4	I849 Y850 R851 N855 G856 F857 Y858 T859	I849-D853 PolarHBondContact O-N 3.37Å; Y850-D853 CarbonylContact O-C 3.55Å; R851-D853 VanDerWaalsContact C-N 3.32Å; D853-N855 VanDerWaalsContact C-N 3.26Å; D853-N855 PolarHBondContact O-N 3.03Å; D853-G856 PolarHBondContact O-N 2.86Å; D853-G856 VanDerWaalsContact OD1-CA 3.32Å; D853-G856 WeakPolarHBondContact OD1-CA 3.18Å; D853-G856 PolarHBondContact OD1-N 3.12Å; D853-F857 PolarHBondContact OD1-N 3.25Å; D853-Y858 PolarHBondContact OD1-N 3.44Å; D853-T859 WeakPolarHBondContact OD2-CA 3.47Å; D853-T859 PolarHBondContact OD2-N 3.15Å; D853-T859 PolarHBondContact OD2-OG1 2.72Å
854	F	79.9	Confident	77.5	Confident	171 Å²	171	73.1 Å²	73.1	75%	0.75	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.2	-174.3	-178.5	-97.5	0	0	0	114.1	Y850	Y850-F854 WeakPolarHBondContact O-CA 3.27Å; Y850-F854 WeakPolarHBondContact O-CB 3.41Å; Y850-F854 PolarHBondContact O-N 2.95Å
855	N	81.8	Confident	78	Confident	146 Å²	146	73.7 Å²	73.7	78%	0.781	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	3.5	179.8	-69.9	-27.6	0	0	0	113.4	D853 F857	D853-N855 VanDerWaalsContact C-N 3.26Å; D853-N855 PolarHBondContact O-N 3.03Å; N855-F857 VanDerWaalsContact C-N 3.29Å; N855-F857 PolarHBondContact O-N 3.5Å
856	G	78.1	Confident	78	Confident	36 Å²	36	76 Å²	76	37%	0.371	37%	0.37	S	S	.	.	S	Bend	trans	65.7	28.6	-175	0	0	0	0	0	114.5	D853 Y858 T859	D853-G856 PolarHBondContact O-N 2.86Å; D853-G856 VanDerWaalsContact OD1-CA 3.32Å; D853-G856 WeakPolarHBondContact OD1-CA 3.18Å; D853-G856 PolarHBondContact OD1-N 3.12Å; G856-Y858 VanDerWaalsContact C-N 3.34Å; G856-T859 WeakPolarHBondContact CA-OG1 3.37Å
857	F	80.6	Confident	77.8	Confident	145 Å²	145	77.3 Å²	77.3	64%	0.636	38%	0.379	S	S	*	.	S	Bend	trans	-67.7	-32.9	-179.3	-178.1	-93.6	0	0	0	112.6	D853 N855	D853-F857 PolarHBondContact OD1-N 3.25Å; N855-F857 VanDerWaalsContact C-N 3.29Å; N855-F857 PolarHBondContact O-N 3.5Å
858	Y	81.9	Confident	77.5	Confident	22 Å²	22	80.8 Å²	80.8	9%	0.086	39%	0.392	C	S	.	.	S	Bend	trans	-103.4	-7.3	-179.7	-60.4	-67.2	0	0	0	113.4	R681 L826 L827 L830 D853 G856 E860 Q861 L862	R681-Y858 PolarHBondContact NE-OH 3.18Å; R681-Y858 PolarHBondContact NH2-OH 3.02Å; L826-Y858 HydrophobicContact CD2-CE1 4.02Å; L826-Y858 HydrophobicContact CD2-CE2 3.89Å; L826-Y858 WeakPolarHBondContact CD2-OH 3.32Å; L827-Y858 HydrophobicContact CD2-CD1 4.38Å; L830-Y858 HydrophobicContact CD1-CD2 4.36Å; L830-Y858 HydrophobicContact CD1-CG 4.43Å; D853-Y858 PolarHBondContact OD1-N 3.44Å; G856-Y858 VanDerWaalsContact C-N 3.34Å; Y858-E860 PolarHBondContact O-N 3.44Å; Y858-Q861 PolarHBondContact O-N 3.33Å; Y858-Q861 VanDerWaalsContact O-N 3.08Å; Y858-L862 WeakPolarHBondContact O-CG 3.01Å; Y858-L862 PolarHBondContact O-N 3.15Å
859	T	78.9	Confident	76.8	Confident	55 Å²	55	85 Å²	85	34%	0.337	41%	0.407	S	S	.	.	H	α-helix	trans	-56.2	-45.8	-171.8	-58.8	0	0	0	0	112.8	D853 G856 Q861 L862 E863	D853-T859 WeakPolarHBondContact OD2-CA 3.47Å; D853-T859 PolarHBondContact OD2-N 3.15Å; D853-T859 PolarHBondContact OD2-OG1 2.72Å; G856-T859 WeakPolarHBondContact CA-OG1 3.37Å; T859-Q861 VanDerWaalsContact C-N 3.27Å; T859-Q861 PolarHBondContact O-N 3.34Å; T859-L862 PolarHBondContact O-N 3.46Å; T859-E863 HydrophobicContact CG2-CG 4.46Å; T859-E863 WeakPolarHBondContact O-CG 3.08Å; T859-E863 PolarHBondContact O-N 2.63Å
860	E	72.2	Confident	76	Confident	121 Å²	121	86.9 Å²	86.9	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-33.2	-178.8	-163.5	-168.8	156.7	0	0	112.4	Y858 R864	Y858-E860 PolarHBondContact O-N 3.44Å; E860-R864 WeakPolarHBondContact O-CG 3.46Å; E860-R864 PolarHBondContact O-N 3.49Å; E860-R864 IonicContact OE1-CZ 3.62Å; E860-R864 IonicContact OE1-NE 3.75Å; E860-R864 IonicContact OE1-NH2 2.95Å; E860-R864 PolarHBondContact OE1-NH2 3.26Å
861	Q	74.6	Confident	75.4	Confident	96 Å²	96	84.9 Å²	84.9	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-76	-38.2	177.6	-69.8	179.7	-19.4	0	0	111.5	L827 Y858 T859 R864 M865	L827-Q861 HydrophobicContact CD1-CB 4.35Å; L827-Q861 HydrophobicContact CD2-CB 4.02Å; Y858-Q861 PolarHBondContact O-N 3.33Å; Y858-Q861 VanDerWaalsContact O-N 3.08Å; T859-Q861 VanDerWaalsContact C-N 3.27Å; T859-Q861 PolarHBondContact O-N 3.34Å; Q861-R864 PolarHBondContact O-N 2.99Å; Q861-M865 WeakPolarHBondContact O-CG 3.37Å; Q861-M865 PolarHBondContact O-N 2.88Å; Q861-M865 VanDerWaalsContact O-N 3.12Å
862	L	72.6	Confident	74.7	Confident	33 Å²	33	89 Å²	89	17%	0.173	44%	0.44	C	S	.	.	H	α-helix	trans	-65.1	-41.3	175.6	-68.2	170.9	0	0	0	111.9	L827 L830 Y858 T859 R864 M865 A866	L827-L862 HydrophobicContact CD2-CD2 4.18Å; L827-L862 HydrophobicContact CD2-CG 4.43Å; L830-L862 HydrophobicContact CB-CD1 4.4Å; L830-L862 HydrophobicContact CB-CD2 3.76Å; L830-L862 HydrophobicContact CD1-CD1 4.35Å; Y858-L862 WeakPolarHBondContact O-CG 3.01Å; Y858-L862 PolarHBondContact O-N 3.15Å; T859-L862 PolarHBondContact O-N 3.46Å; L862-R864 PolarHBondContact O-N 3.35Å; L862-M865 PolarHBondContact O-N 2.81Å; L862-A866 WeakPolarHBondContact O-CB 3.15Å; L862-A866 PolarHBondContact O-N 3.3Å
863	E	73.8	Confident	73.6	Confident	122 Å²	122	92.2 Å²	92.2	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-61.4	-42.4	175.4	-75.1	-177.2	179.4	0	0	111.9	T859 M865 A866 V867	T859-E863 HydrophobicContact CG2-CG 4.46Å; T859-E863 WeakPolarHBondContact O-CG 3.08Å; T859-E863 PolarHBondContact O-N 2.63Å; E863-M865 PolarHBondContact O-N 3.36Å; E863-A866 PolarHBondContact O-N 3.05Å; E863-V867 VanDerWaalsContact O-CG2 3.29Å; E863-V867 WeakPolarHBondContact O-CG2 2.84Å; E863-V867 PolarHBondContact O-N 3.41Å
864	R	72.5	Confident	72.1	Confident	154 Å²	154	95.8 Å²	95.8	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-43.9	175.3	-72.3	179.7	-167.3	-166.9	6.3	112.1	E860 Q861 L862 V867 E868	E860-R864 WeakPolarHBondContact O-CG 3.46Å; E860-R864 PolarHBondContact O-N 3.49Å; E860-R864 IonicContact OE1-CZ 3.62Å; E860-R864 IonicContact OE1-NE 3.75Å; E860-R864 IonicContact OE1-NH2 2.95Å; E860-R864 PolarHBondContact OE1-NH2 3.26Å; Q861-R864 PolarHBondContact O-N 2.99Å; L862-R864 PolarHBondContact O-N 3.35Å; R864-V867 PolarHBondContact O-N 3.08Å; R864-E868 WeakPolarHBondContact O-CG 3.42Å; R864-E868 PolarHBondContact O-N 3.21Å
865	M	72.9	Confident	70.6	Confident	55 Å²	55	94 Å²	94	27%	0.271	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-38.7	177.6	-69.8	-180	70.7	0	0	112.1	L827 D831 Q861 L862 E863 E868 R869	L827-M865 HydrophobicContact CB-SD 3.99Å; L827-M865 HydrophobicContact CD1-SD 4.42Å; D831-M865 HydrophobicContact CB-CE 4.24Å; D831-M865 WeakPolarHBondContact OD2-CE 3.39Å; Q861-M865 WeakPolarHBondContact O-CG 3.37Å; Q861-M865 PolarHBondContact O-N 2.88Å; Q861-M865 VanDerWaalsContact O-N 3.12Å; L862-M865 PolarHBondContact O-N 2.81Å; E863-M865 PolarHBondContact O-N 3.36Å; M865-E868 PolarHBondContact O-N 3.14Å; M865-R869 WeakPolarHBondContact O-CB 3.38Å; M865-R869 PolarHBondContact O-N 3.12Å
866	A	69.5	Low	70	Confident	51 Å²	51	91.5 Å²	91.5	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-41.5	174.4	0	0	0	0	0	112	L862 E863 R869 S870	L862-A866 WeakPolarHBondContact O-CB 3.15Å; L862-A866 PolarHBondContact O-N 3.3Å; E863-A866 PolarHBondContact O-N 3.05Å; A866-R869 PolarHBondContact O-N 3.4Å; A866-S870 PolarHBondContact O-N 2.95Å
867	V	70.8	Confident	69.6	Low	75 Å²	75	94.4 Å²	94.4	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-64.3	-47.4	175.3	171.9	0	0	0	0	111.1	E863 R864 R869 S870 Q871	E863-V867 VanDerWaalsContact O-CG2 3.29Å; E863-V867 WeakPolarHBondContact O-CG2 2.84Å; E863-V867 PolarHBondContact O-N 3.41Å; R864-V867 PolarHBondContact O-N 3.08Å; V867-R869 VanDerWaalsContact C-N 3.25Å; V867-R869 PolarHBondContact O-N 3.32Å; V867-S870 PolarHBondContact O-N 3.49Å; V867-S870 VanDerWaalsContact O-N 3.15Å; V867-S870 PolarHBondContact O-OG 3.28Å; V867-Q871 WeakPolarHBondContact O-CG 3.29Å; V867-Q871 PolarHBondContact O-N 2.94Å
868	E	72.5	Confident	69	Low	110 Å²	110	91.6 Å²	91.6	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-59.9	-36	176.5	-75.6	-177.2	-174.2	0	0	112.5	R864 M865 K872	R864-E868 WeakPolarHBondContact O-CG 3.42Å; R864-E868 PolarHBondContact O-N 3.21Å; M865-E868 PolarHBondContact O-N 3.14Å; E868-K872 WeakPolarHBondContact O-CG 3.37Å; E868-K872 PolarHBondContact O-N 3.29Å
869	R	67.2	Low	68.2	Low	88 Å²	88	95.6 Å²	95.6	33%	0.332	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-44.3	174.2	-175.2	-177.6	-68.4	153.5	-7.6	112.2	D831 M865 A866 V867 Q871 K872 A873	D831-R869 IonicContact OD1-CZ 2.65Å; D831-R869 IonicContact OD1-NH1 3.97Å; D831-R869 PolarHBondContact OD1-NH1 2.74Å; D831-R869 IonicContact OD1-NH2 3.77Å; D831-R869 PolarHBondContact OD1-NH2 2.71Å; D831-R869 IonicContact OD2-CZ 3.05Å; D831-R869 IonicContact OD2-NH1 2.71Å; D831-R869 IonicContact OD2-NH2 2.74Å; D831-R869 PolarHBondContact OD2-NH2 3.47Å; M865-R869 WeakPolarHBondContact O-CB 3.38Å; M865-R869 PolarHBondContact O-N 3.12Å; A866-R869 PolarHBondContact O-N 3.4Å; V867-R869 VanDerWaalsContact C-N 3.25Å; V867-R869 PolarHBondContact O-N 3.32Å; R869-Q871 PolarHBondContact O-N 3.47Å; R869-K872 CarbonylContact O-C 3.59Å; R869-K872 PolarHBondContact O-N 2.69Å; R869-K872 VanDerWaalsContact O-N 3.12Å; R869-A873 WeakPolarHBondContact O-CB 3.45Å; R869-A873 PolarHBondContact O-N 3.02Å
870	S	65.9	Low	67.6	Low	70 Å²	70	98.2 Å²	98.2	49%	0.49	54%	0.542	S	S	.	.	H	α-helix	trans	-60.4	-35.7	177.6	73.8	0	0	0	0	111.7	A866 V867 A874	A866-S870 PolarHBondContact O-N 2.95Å; V867-S870 PolarHBondContact O-N 3.49Å; V867-S870 VanDerWaalsContact O-N 3.15Å; V867-S870 PolarHBondContact O-OG 3.28Å; S870-A874 WeakPolarHBondContact O-CB 3.48Å; S870-A874 PolarHBondContact O-N 2.72Å; S870-A874 VanDerWaalsContact O-N 3.15Å
871	Q	68.3	Low	67.3	Low	126 Å²	126	96.7 Å²	96.7	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-70.2	-39	174.8	-69.2	173.8	-0.9	0	0	112	V867 R869 A874 A875	V867-Q871 WeakPolarHBondContact O-CG 3.29Å; V867-Q871 PolarHBondContact O-N 2.94Å; R869-Q871 PolarHBondContact O-N 3.47Å; Q871-A874 PolarHBondContact O-N 2.94Å; Q871-A875 PolarHBondContact O-N 3.3Å
872	K	68.4	Low	66.8	Low	159 Å²	159	96.7 Å²	96.7	69%	0.691	55%	0.547	S	S	*	.	H	α-helix	trans	-72.6	-25.9	175.4	-78.6	176.3	-179.5	167.6	0	114.3	E868 R869	E868-K872 WeakPolarHBondContact O-CG 3.37Å; E868-K872 PolarHBondContact O-N 3.29Å; R869-K872 CarbonylContact O-C 3.59Å; R869-K872 PolarHBondContact O-N 2.69Å; R869-K872 VanDerWaalsContact O-N 3.12Å
873	A	59.4	Low	66.3	Low	85 Å²	85	101.6 Å²	101.6	70%	0.702	58%	0.576	S	S	*	*	H	α-helix	trans	-83.2	-22.3	175.9	0	0	0	0	0	112.5	R869	R869-A873 WeakPolarHBondContact O-CB 3.45Å; R869-A873 PolarHBondContact O-N 3.02Å
874	A	52.9	Low	65.7	Low	92 Å²	92	99.9 Å²	99.9	76%	0.76	58%	0.576	S	S	*	*	H	α-helix	trans	-88.7	-13.3	176.2	0	0	0	0	0	113.8	S870 Q871	S870-A874 WeakPolarHBondContact O-CB 3.48Å; S870-A874 PolarHBondContact O-N 2.72Å; S870-A874 VanDerWaalsContact O-N 3.15Å; Q871-A874 PolarHBondContact O-N 2.94Å
875	A	47.8	Very low	65.1	Low	134 Å²	134	95 Å²	95	100%	1.107	58%	0.576	S	S	*	*			trans	-98.8	0	173.8	0	0	0	0	0	110.4	Q871	Q871-A875 PolarHBondContact O-N 3.3Å

Retrieved 875 of 875 residues in 2056.8 ms (Link to these results)

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